For BMRB entry 19242: ############################################################################ For conformer 1: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.164 0.136 RESID 5 (I): C 174.300 174.300 174.340 -0.040 RESID 5 (I): CA 57.710 57.710 59.746 -2.036 RESID 5 (I): CB 37.260 37.260 37.756 -0.496 RESID 5 (I): H 7.868 7.868 8.241 -0.373 RESID 6 (P): C 176.100 176.100 176.793 -0.693 RESID 6 (P): CA 62.180 62.180 62.800 -0.620 RESID 6 (P): CB 31.620 31.620 32.345 -0.725 RESID 7 (Q): N 119.200 119.200 119.582 -0.382 RESID 7 (Q): C 175.600 175.600 176.018 -0.418 RESID 7 (Q): CA 57.190 57.190 57.839 -0.649 RESID 7 (Q): CB 28.500 28.500 29.146 -0.646 RESID 7 (Q): H 8.380 8.380 8.680 -0.300 RESID 8 (N): N 116.300 116.300 114.389 1.911 RESID 8 (N): C 173.600 173.600 173.887 -0.287 RESID 8 (N): CA 51.720 51.720 52.356 -0.636 RESID 8 (N): CB 40.540 40.540 41.903 -1.363 RESID 8 (N): H 7.472 7.472 7.805 -0.333 RESID 9 (I): N 121.000 121.000 122.820 -1.820 RESID 9 (I): C 174.700 174.700 174.880 -0.180 RESID 9 (I): CA 59.480 59.480 60.115 -0.635 RESID 9 (I): CB 39.740 39.740 40.210 -0.470 RESID 9 (I): H 8.416 8.416 9.128 -0.712 RESID 10 (R): N 126.500 126.500 127.418 -0.918 RESID 10 (R): C 175.800 175.800 175.011 0.789 RESID 10 (R): CA 53.950 53.950 55.452 -1.502 RESID 10 (R): CB 30.670 30.670 31.172 -0.502 RESID 10 (R): H 9.098 9.098 8.390 0.708 RESID 11 (I): N 127.500 127.500 124.200 3.300 RESID 11 (I): C 175.600 175.600 175.255 0.345 RESID 11 (I): CA 59.480 59.480 59.313 0.167 RESID 11 (I): CB 37.460 37.460 41.493 -4.034 RESID 11 (I): H 9.279 9.279 8.999 0.280 RESID 12 (G): N 114.800 114.800 114.343 0.457 RESID 12 (G): C 171.700 171.700 173.030 -1.330 RESID 12 (G): CA 44.540 44.540 44.293 0.247 RESID 12 (G): H 9.382 9.382 8.563 0.819 RESID 13 (T): N 120.600 120.600 121.708 -1.108 RESID 13 (T): C 181.600 181.600 173.046 8.554 RESID 13 (T): CA 61.470 61.470 62.024 -0.554 RESID 13 (T): CB 69.970 69.970 71.679 -1.709 RESID 13 (T): H 8.594 8.594 8.008 0.586 RESID 14 (D): N 127.000 127.000 127.818 -0.818 RESID 14 (D): C 177.500 177.500 174.792 2.708 RESID 14 (D): CA 49.760 49.760 50.291 -0.531 RESID 14 (D): CB 40.580 40.580 42.164 -1.584 RESID 14 (D): H 8.200 8.200 8.695 -0.495 RESID 15 (P): C 175.400 175.400 176.480 -1.080 RESID 15 (P): CA 61.920 61.920 63.383 -1.464 RESID 15 (P): CB 27.890 27.890 32.388 -4.497 RESID 16 (T): N 116.200 116.200 110.721 5.479 RESID 16 (T): C 174.000 174.000 173.354 0.646 RESID 16 (T): CA 59.560 59.560 62.042 -2.482 RESID 16 (T): CB 68.650 68.650 69.992 -1.342 RESID 16 (T): H 8.739 8.739 8.275 0.464 RESID 17 (Y): N 125.800 125.800 121.860 3.940 RESID 17 (Y): C 175.200 175.200 175.656 -0.456 RESID 17 (Y): CA 54.180 54.180 56.127 -1.947 RESID 17 (Y): CB 38.700 38.700 38.466 0.234 RESID 17 (Y): H 8.943 8.943 8.089 0.854 RESID 18 (A): N 132.100 132.100 129.605 2.495 RESID 18 (A): C 176.000 176.000 176.469 -0.469 RESID 18 (A): CA 51.490 51.490 56.053 -4.563 RESID 18 (A): CB 16.070 16.070 16.245 -0.175 RESID 18 (A): H 8.945 8.945 8.913 0.032 RESID 19 (P): C 173.500 173.500 177.784 -4.284 RESID 19 (P): CA 62.890 62.890 65.230 -2.340 RESID 19 (P): CB 31.790 31.790 31.592 0.198 RESID 20 (F): N 125.100 125.100 117.327 7.773 RESID 20 (F): C 176.700 176.700 175.103 1.597 RESID 20 (F): CA 62.420 62.420 59.701 2.719 RESID 20 (F): CB 37.980 37.980 41.045 -3.065 RESID 20 (F): H 8.117 8.117 8.245 -0.128 RESID 21 (E): N 111.800 111.800 114.508 -2.708 RESID 21 (E): C 173.600 173.600 174.431 -0.831 RESID 21 (E): CA 54.400 54.400 55.211 -0.811 RESID 21 (E): CB 28.770 28.770 34.142 -5.372 RESID 21 (E): H 7.701 7.701 8.482 -0.781 RESID 22 (S): N 117.200 117.200 113.110 4.090 RESID 22 (S): C 171.500 171.500 172.279 -0.779 RESID 22 (S): CA 57.290 57.290 58.565 -1.275 RESID 22 (S): CB 62.940 62.940 64.158 -1.218 RESID 22 (S): H 8.750 8.750 8.309 0.441 RESID 23 (K): N 117.400 117.400 119.274 -1.874 RESID 23 (K): C 177.600 177.600 175.010 2.590 RESID 23 (K): CA 53.700 53.700 55.362 -1.662 RESID 23 (K): CB 33.330 33.330 35.139 -1.809 RESID 23 (K): H 8.238 8.238 8.234 0.004 RESID 24 (N): N 122.400 122.400 120.795 1.605 RESID 24 (N): C 178.000 178.000 176.955 1.045 RESID 24 (N): CA 50.600 50.600 51.898 -1.298 RESID 24 (N): CB 38.140 38.140 40.027 -1.887 RESID 24 (N): H 8.584 8.584 8.529 0.055 RESID 25 (S): C 175.400 175.400 175.421 -0.021 RESID 25 (S): CA 60.970 60.970 60.960 0.010 RESID 25 (S): CB 62.410 62.410 62.593 -0.182 RESID 26 (Q): N 119.300 119.300 119.485 -0.185 RESID 26 (Q): C 176.200 176.200 176.776 -0.576 RESID 26 (Q): CA 55.180 55.180 55.592 -0.412 RESID 26 (Q): CB 28.260 28.260 28.728 -0.468 RESID 26 (Q): H 7.520 7.520 7.891 -0.371 RESID 27 (G): N 108.800 108.800 107.561 1.239 RESID 27 (G): C 173.700 173.700 173.978 -0.278 RESID 27 (G): CA 45.050 45.050 44.983 0.068 RESID 27 (G): H 8.169 8.169 7.811 0.358 RESID 28 (E): N 121.200 121.200 119.567 1.633 RESID 28 (E): C 175.800 175.800 175.552 0.248 RESID 28 (E): CA 54.490 54.490 55.827 -1.337 RESID 28 (E): CB 29.750 29.750 30.725 -0.975 RESID 28 (E): H 7.836 7.836 8.132 -0.296 RESID 29 (L): N 123.500 123.500 121.098 2.402 RESID 29 (L): C 176.400 176.400 175.957 0.443 RESID 29 (L): CA 54.310 54.310 53.903 0.407 RESID 29 (L): CB 41.180 41.180 43.047 -1.867 RESID 29 (L): H 8.281 8.281 8.287 -0.006 RESID 30 (V): N 118.200 118.200 122.609 -4.409 RESID 30 (V): C 175.300 175.300 173.598 1.702 RESID 30 (V): CA 58.360 58.360 60.157 -1.797 RESID 30 (V): CB 36.080 36.080 35.962 0.119 RESID 30 (V): H 8.900 8.900 7.911 0.989 RESID 31 (G): N 109.800 109.800 110.450 -0.650 RESID 31 (G): C 174.400 174.400 173.518 0.882 RESID 31 (G): CA 43.830 43.830 45.215 -1.385 RESID 31 (G): H 8.611 8.611 7.499 1.112 RESID 32 (F): N 119.900 119.900 122.708 -2.808 RESID 32 (F): C 177.900 177.900 175.997 1.903 RESID 32 (F): CA 59.800 59.800 60.101 -0.301 RESID 32 (F): CB 38.950 38.950 39.272 -0.322 RESID 32 (F): H 8.295 8.295 8.198 0.097 RESID 33 (D): N 116.500 116.500 119.066 -2.566 RESID 33 (D): C 179.100 179.100 178.030 1.070 RESID 33 (D): CA 56.180 56.180 56.564 -0.384 RESID 33 (D): CB 38.610 38.610 40.212 -1.602 RESID 33 (D): H 8.935 8.935 7.210 1.725 RESID 34 (I): N 118.800 118.800 119.596 -0.796 RESID 34 (I): C 178.000 178.000 177.724 0.276 RESID 34 (I): CA 60.950 60.950 64.741 -3.791 RESID 34 (I): CB 33.620 33.620 37.785 -4.165 RESID 34 (I): H 6.535 6.535 7.721 -1.186 RESID 35 (D): N 121.000 121.000 120.365 0.635 RESID 35 (D): C 180.300 180.300 178.681 1.619 RESID 35 (D): CA 57.100 57.100 57.401 -0.302 RESID 35 (D): CB 40.420 40.420 40.303 0.117 RESID 35 (D): H 8.536 8.536 7.774 0.762 RESID 36 (L): N 120.500 120.500 120.924 -0.424 RESID 36 (L): C 178.500 178.500 177.982 0.518 RESID 36 (L): CA 57.720 57.720 57.828 -0.108 RESID 36 (L): CB 42.230 42.230 41.561 0.669 RESID 36 (L): H 8.508 8.508 7.222 1.286 RESID 37 (A): N 120.200 120.200 121.825 -1.625 RESID 37 (A): C 178.600 178.600 179.526 -0.926 RESID 37 (A): CA 55.170 55.170 55.325 -0.155 RESID 37 (A): CB 17.340 17.340 18.430 -1.090 RESID 37 (A): H 8.383 8.383 7.643 0.740 RESID 38 (K): N 116.400 116.400 119.270 -2.870 RESID 38 (K): C 180.100 180.100 179.168 0.932 RESID 38 (K): CA 60.530 60.530 60.050 0.480 RESID 38 (K): CB 31.840 31.840 32.334 -0.494 RESID 38 (K): H 8.780 8.780 8.108 0.672 RESID 39 (E): N 121.500 121.500 119.347 2.153 RESID 39 (E): C 178.300 178.300 179.386 -1.086 RESID 39 (E): CA 58.430 58.430 59.337 -0.907 RESID 39 (E): CB 27.990 27.990 29.521 -1.531 RESID 39 (E): H 7.692 7.692 7.803 -0.111 RESID 40 (L): N 121.500 121.500 120.388 1.112 RESID 40 (L): C 178.700 178.700 178.847 -0.147 RESID 40 (L): CA 58.490 58.490 58.282 0.208 RESID 40 (L): CB 40.250 40.250 41.755 -1.505 RESID 40 (L): H 8.563 8.563 7.951 0.612 RESID 41 (C): N 115.700 115.700 118.439 -2.739 RESID 41 (C): C 175.800 175.800 177.477 -1.677 RESID 41 (C): CA 62.390 62.390 62.758 -0.368 RESID 41 (C): CB 46.860 46.860 25.449 21.411 RESID 41 (C): H 8.598 8.598 8.756 -0.158 RESID 42 (K): N 119.300 119.300 119.645 -0.345 RESID 42 (K): C 180.800 180.800 179.124 1.676 RESID 42 (K): CA 58.810 58.810 59.448 -0.638 RESID 42 (K): CB 31.430 31.430 32.356 -0.926 RESID 42 (K): H 7.490 7.490 8.077 -0.587 RESID 43 (R): N 119.500 119.500 118.007 1.493 RESID 43 (R): C 178.700 178.700 178.673 0.027 RESID 43 (R): CA 58.760 58.760 58.460 0.300 RESID 43 (R): CB 29.980 29.980 30.220 -0.240 RESID 43 (R): H 8.057 8.057 7.540 0.517 RESID 44 (I): N 111.800 111.800 117.171 -5.371 RESID 44 (I): C 175.000 175.000 175.671 -0.671 RESID 44 (I): CA 60.940 60.940 62.910 -1.970 RESID 44 (I): CB 36.630 36.630 38.147 -1.516 RESID 44 (I): H 7.765 7.765 8.437 -0.672 RESID 45 (N): N 118.800 118.800 115.531 3.269 RESID 45 (N): C 173.600 173.600 174.063 -0.463 RESID 45 (N): CA 53.670 53.670 54.580 -0.910 RESID 45 (N): CB 36.620 36.620 35.959 0.661 RESID 45 (N): H 7.752 7.752 8.004 -0.252 RESID 46 (T): N 112.800 112.800 105.644 7.156 RESID 46 (T): C 173.100 173.100 172.809 0.291 RESID 46 (T): CA 60.020 60.020 60.309 -0.289 RESID 46 (T): CB 70.500 70.500 71.831 -1.331 RESID 46 (T): H 7.920 7.920 7.924 -0.004 RESID 47 (Q): N 123.500 123.500 119.966 3.534 RESID 47 (Q): C 175.400 175.400 174.582 0.818 RESID 47 (Q): CA 54.550 54.550 55.073 -0.523 RESID 47 (Q): CB 28.670 28.670 30.527 -1.857 RESID 47 (Q): H 8.037 8.037 8.304 -0.267 RESID 48 (C): N 123.800 123.800 124.410 -0.610 RESID 48 (C): C 173.800 173.800 174.396 -0.596 RESID 48 (C): CA 53.170 53.170 57.886 -4.716 RESID 48 (C): CB 47.290 47.290 29.274 18.016 RESID 48 (C): H 8.881 8.881 8.681 0.200 RESID 49 (T): N 118.600 118.600 120.642 -2.042 RESID 49 (T): C 172.700 172.700 172.539 0.161 RESID 49 (T): CA 60.210 60.210 61.249 -1.039 RESID 49 (T): CB 70.980 70.980 71.013 -0.033 RESID 49 (T): H 8.324 8.324 8.834 -0.510 RESID 50 (F): N 123.800 123.800 125.966 -2.166 RESID 50 (F): C 175.800 175.800 175.936 -0.136 RESID 50 (F): CA 57.370 57.370 57.324 0.046 RESID 50 (F): CB 40.730 40.730 40.310 0.420 RESID 50 (F): H 8.982 8.982 8.624 0.358 RESID 51 (V): N 126.300 126.300 123.704 2.596 RESID 51 (V): C 174.700 174.700 174.731 -0.031 RESID 51 (V): CA 60.650 60.650 60.653 -0.003 RESID 51 (V): CB 33.700 33.700 35.411 -1.711 RESID 51 (V): H 9.271 9.271 9.089 0.182 RESID 52 (E): N 126.900 126.900 128.940 -2.040 RESID 52 (E): C 176.900 176.900 175.247 1.653 RESID 52 (E): CA 54.480 54.480 57.264 -2.784 RESID 52 (E): CB 29.350 29.350 30.400 -1.050 RESID 52 (E): H 8.617 8.617 8.770 -0.153 RESID 53 (N): N 127.100 127.100 120.694 6.406 RESID 53 (N): C 170.600 170.600 172.418 -1.818 RESID 53 (N): CA 51.220 51.220 51.444 -0.224 RESID 53 (N): CB 43.980 43.980 38.355 5.625 RESID 53 (N): H 8.917 8.917 8.239 0.678 RESID 54 (P): C 178.600 178.600 178.744 -0.144 RESID 54 (P): CA 61.650 61.650 62.404 -0.754 RESID 54 (P): CB 31.460 31.460 32.952 -1.492 RESID 55 (L): N 124.200 124.200 123.981 0.219 RESID 55 (L): C 179.600 179.600 178.724 0.876 RESID 55 (L): CA 58.130 58.130 59.249 -1.119 RESID 55 (L): CB 41.470 41.470 41.428 0.042 RESID 55 (L): H 9.096 9.096 8.689 0.407 RESID 56 (D): N 115.400 115.400 119.016 -3.616 RESID 56 (D): C 176.500 176.500 177.332 -0.832 RESID 56 (D): CA 56.080 56.080 56.868 -0.788 RESID 56 (D): CB 39.640 39.640 40.171 -0.531 RESID 56 (D): H 8.651 8.651 8.541 0.110 RESID 57 (A): N 120.400 120.400 119.922 0.478 RESID 57 (A): C 180.000 180.000 178.962 1.038 RESID 57 (A): CA 51.440 51.440 53.639 -2.199 RESID 57 (A): CB 19.170 19.170 19.627 -0.457 RESID 57 (A): H 8.079 8.079 8.288 -0.209 RESID 58 (L): N 122.300 122.300 121.131 1.169 RESID 58 (L): C 177.800 177.800 178.766 -0.966 RESID 58 (L): CA 58.960 58.960 58.098 0.862 RESID 58 (L): CB 40.150 40.150 41.920 -1.770 RESID 58 (L): H 7.783 7.783 8.076 -0.293 RESID 59 (I): N 119.600 119.600 119.545 0.055 RESID 59 (I): C 176.400 176.400 175.118 1.282 RESID 59 (I): CA 68.170 68.170 66.545 1.625 RESID 59 (I): CB 33.980 33.980 34.688 -0.708 RESID 59 (I): H 9.094 9.094 7.739 1.355 RESID 60 (P): C 180.100 180.100 179.239 0.861 RESID 60 (P): CA 65.890 65.890 66.546 -0.656 RESID 60 (P): CB 29.980 29.980 31.255 -1.275 RESID 61 (S): N 114.800 114.800 114.857 -0.057 RESID 61 (S): C 175.500 175.500 176.686 -1.186 RESID 61 (S): CA 62.170 62.170 61.858 0.312 RESID 61 (S): H 7.865 7.865 8.164 -0.299 RESID 62 (L): N 126.200 126.200 123.139 3.061 RESID 62 (L): C 181.000 181.000 178.959 2.041 RESID 62 (L): CA 57.400 57.400 57.704 -0.304 RESID 62 (L): CB 41.820 41.820 41.767 0.053 RESID 62 (L): H 8.296 8.296 8.191 0.105 RESID 63 (K): N 121.000 121.000 119.044 1.956 RESID 63 (K): C 178.000 178.000 177.943 0.057 RESID 63 (K): CA 59.500 59.500 59.179 0.321 RESID 63 (K): CB 30.770 30.770 32.468 -1.698 RESID 63 (K): H 8.461 8.461 7.808 0.653 RESID 64 (A): N 118.700 118.700 118.673 0.027 RESID 64 (A): C 176.200 176.200 176.677 -0.477 RESID 64 (A): CA 51.680 51.680 51.964 -0.284 RESID 64 (A): CB 18.140 18.140 18.561 -0.421 RESID 64 (A): H 7.686 7.686 7.958 -0.272 RESID 65 (K): N 112.200 112.200 114.041 -1.841 RESID 65 (K): C 176.000 176.000 176.462 -0.462 RESID 65 (K): CA 57.800 57.800 57.983 -0.183 RESID 65 (K): CB 27.730 27.730 29.904 -2.174 RESID 65 (K): H 7.751 7.751 7.684 0.067 RESID 66 (K): N 118.300 118.300 115.405 2.895 RESID 66 (K): C 176.600 176.600 177.131 -0.531 RESID 66 (K): CA 57.200 57.200 58.460 -1.260 RESID 66 (K): CB 32.170 32.170 33.012 -0.842 RESID 66 (K): H 8.415 8.415 7.770 0.645 RESID 67 (I): N 107.500 107.500 112.587 -5.087 RESID 67 (I): C 174.000 174.000 175.396 -1.396 RESID 67 (I): CA 59.050 59.050 59.059 -0.009 RESID 67 (I): CB 40.470 40.470 41.015 -0.545 RESID 67 (I): H 7.034 7.034 7.238 -0.204 RESID 68 (D): N 119.000 119.000 122.169 -3.169 RESID 68 (D): C 172.200 172.200 175.790 -3.590 RESID 68 (D): CA 55.560 55.560 55.376 0.184 RESID 68 (D): CB 44.210 44.210 42.538 1.673 RESID 68 (D): H 9.739 9.739 8.494 1.245 RESID 69 (A): N 117.400 117.400 118.123 -0.723 RESID 69 (A): C 175.900 175.900 174.846 1.054 RESID 69 (A): CA 50.120 50.120 51.142 -1.022 RESID 69 (A): CB 21.960 21.960 22.167 -0.207 RESID 69 (A): H 7.660 7.660 7.690 -0.030 RESID 70 (I): N 120.500 120.500 120.922 -0.422 RESID 70 (I): C 174.500 174.500 174.458 0.042 RESID 70 (I): CA 60.060 60.060 60.643 -0.583 RESID 70 (I): CB 41.190 41.190 40.921 0.269 RESID 70 (I): H 9.402 9.402 8.059 1.343 RESID 71 (M): N 128.300 128.300 129.515 -1.215 RESID 71 (M): C 172.500 172.500 173.743 -1.243 RESID 71 (M): CA 53.040 53.040 55.010 -1.970 RESID 71 (M): CB 33.940 33.940 34.055 -0.115 RESID 71 (M): H 8.431 8.431 8.219 0.212 RESID 72 (S): N 122.700 122.700 120.122 2.578 RESID 72 (S): C 172.800 172.800 174.051 -1.251 RESID 72 (S): CA 57.630 57.630 56.477 1.153 RESID 72 (S): CB 64.590 64.590 65.210 -0.620 RESID 72 (S): H 8.717 8.717 8.571 0.146 RESID 73 (S): N 120.600 120.600 115.574 5.026 RESID 73 (S): C 174.900 174.900 174.783 0.117 RESID 73 (S): CA 58.590 58.590 59.546 -0.956 RESID 73 (S): CB 62.920 62.920 62.801 0.119 RESID 73 (S): H 8.570 8.570 8.621 -0.051 RESID 74 (L): N 120.700 120.700 123.953 -3.253 RESID 74 (L): C 175.300 175.300 175.979 -0.679 RESID 74 (L): CA 54.320 54.320 55.581 -1.261 RESID 74 (L): CB 42.350 42.350 42.819 -0.469 RESID 74 (L): H 8.678 8.678 7.429 1.249 RESID 75 (S): N 122.000 122.000 119.802 2.198 RESID 75 (S): C 174.500 174.500 173.696 0.804 RESID 75 (S): CA 59.250 59.250 57.010 2.240 RESID 75 (S): CB 63.060 63.060 64.683 -1.623 RESID 75 (S): H 8.142 8.142 7.869 0.273 RESID 76 (I): N 125.200 125.200 115.832 9.368 RESID 76 (I): C 175.500 175.500 174.574 0.926 RESID 76 (I): CA 61.340 61.340 59.594 1.746 RESID 76 (I): CB 35.790 35.790 39.623 -3.833 RESID 76 (I): H 8.307 8.307 8.256 0.051 RESID 77 (T): N 116.600 116.600 113.592 3.008 RESID 77 (T): C 174.800 174.800 175.077 -0.277 RESID 77 (T): CA 57.760 57.760 59.965 -2.204 RESID 77 (T): CB 71.570 71.570 72.312 -0.742 RESID 77 (T): H 6.513 6.513 7.534 -1.021 RESID 78 (E): N 124.500 124.500 124.900 -0.400 RESID 78 (E): C 179.500 179.500 177.878 1.622 RESID 78 (E): CA 59.140 59.140 60.866 -1.726 RESID 78 (E): CB 28.630 28.630 29.268 -0.638 RESID 78 (E): H 8.935 8.935 8.909 0.026 RESID 79 (K): N 118.400 118.400 118.358 0.042 RESID 79 (K): C 180.600 180.600 179.035 1.565 RESID 79 (K): CA 58.890 58.890 59.193 -0.303 RESID 79 (K): CB 31.610 31.610 32.297 -0.687 RESID 79 (K): H 8.415 8.415 8.358 0.057 RESID 80 (R): N 118.500 118.500 118.840 -0.340 RESID 80 (R): C 179.100 179.100 178.962 0.138 RESID 80 (R): CA 59.580 59.580 59.220 0.360 RESID 80 (R): CB 30.380 30.380 30.069 0.311 RESID 80 (R): H 7.678 7.678 7.402 0.276 RESID 81 (Q): N 119.000 119.000 119.792 -0.792 RESID 81 (Q): C 176.600 176.600 178.866 -2.266 RESID 81 (Q): CA 57.510 57.510 59.148 -1.638 RESID 81 (Q): CB 28.880 28.880 28.543 0.337 RESID 81 (Q): H 8.418 8.418 8.311 0.107 RESID 82 (Q): N 115.300 115.300 117.216 -1.916 RESID 82 (Q): C 177.400 177.400 177.653 -0.253 RESID 82 (Q): CA 57.280 57.280 58.372 -1.092 RESID 82 (Q): CB 27.950 27.950 28.477 -0.527 RESID 82 (Q): H 7.297 7.297 7.914 -0.617 RESID 83 (E): N 115.600 115.600 117.114 -1.514 RESID 83 (E): C 176.400 176.400 177.238 -0.838 RESID 83 (E): CA 56.950 56.950 58.197 -1.247 RESID 83 (E): CB 33.090 33.090 31.431 1.659 RESID 83 (E): H 7.627 7.627 7.887 -0.260 RESID 84 (I): N 115.100 115.100 111.845 3.255 RESID 84 (I): C 172.600 172.600 173.918 -1.318 RESID 84 (I): CA 59.380 59.380 58.910 0.470 RESID 84 (I): CB 40.830 40.830 41.518 -0.688 RESID 84 (I): H 8.275 8.275 7.982 0.293 RESID 85 (A): N 120.600 120.600 120.391 0.209 RESID 85 (A): C 175.000 175.000 175.235 -0.235 RESID 85 (A): CA 49.150 49.150 50.259 -1.109 RESID 85 (A): CB 22.280 22.280 21.435 0.845 RESID 85 (A): H 8.679 8.679 8.418 0.261 RESID 86 (F): N 115.500 115.500 119.047 -3.547 RESID 86 (F): C 178.800 178.800 175.863 2.937 RESID 86 (F): CA 55.850 55.850 56.795 -0.945 RESID 86 (F): CB 44.300 44.300 44.044 0.256 RESID 86 (F): H 8.283 8.283 8.611 -0.328 RESID 87 (T): N 108.200 108.200 114.878 -6.678 RESID 87 (T): C 174.700 174.700 173.795 0.905 RESID 87 (T): CA 61.930 61.930 61.101 0.829 RESID 87 (T): CB 72.740 72.740 70.111 2.629 RESID 87 (T): H 7.898 7.898 8.352 -0.455 RESID 88 (D): N 118.400 118.400 120.047 -1.647 RESID 88 (D): C 174.300 174.300 174.958 -0.658 RESID 88 (D): CA 55.030 55.030 55.766 -0.736 RESID 88 (D): CB 40.870 40.870 39.769 1.101 RESID 88 (D): H 8.789 8.789 8.766 0.023 RESID 89 (K): N 118.100 118.100 116.198 1.902 RESID 89 (K): C 176.200 176.200 177.008 -0.808 RESID 89 (K): CA 55.570 55.570 57.198 -1.628 RESID 89 (K): CB 31.850 31.850 31.627 0.223 RESID 89 (K): H 7.666 7.666 7.616 0.050 RESID 90 (L): N 123.400 123.400 124.153 -0.753 RESID 90 (L): C 178.000 178.000 177.661 0.339 RESID 90 (L): CA 54.450 54.450 57.160 -2.710 RESID 90 (L): CB 41.710 41.710 43.073 -1.363 RESID 90 (L): H 8.778 8.778 8.520 0.258 RESID 91 (Y): N 110.500 110.500 111.233 -0.733 RESID 91 (Y): C 172.600 172.600 173.306 -0.706 RESID 91 (Y): CA 56.070 56.070 56.194 -0.124 RESID 91 (Y): CB 37.670 37.670 40.361 -2.691 RESID 91 (Y): H 6.810 6.810 7.250 -0.440 RESID 92 (A): N 123.100 123.100 122.419 0.681 RESID 92 (A): C 175.600 175.600 176.668 -1.068 RESID 92 (A): CA 51.940 51.940 51.050 0.890 RESID 92 (A): CB 20.320 20.320 19.567 0.753 RESID 92 (A): H 8.135 8.135 9.084 -0.949 RESID 93 (A): N 127.000 127.000 127.767 -0.767 RESID 93 (A): C 175.700 175.700 176.635 -0.935 RESID 93 (A): CA 51.020 51.020 50.610 0.410 RESID 93 (A): CB 18.310 18.310 18.315 -0.005 RESID 93 (A): H 8.658 8.658 8.256 0.402 RESID 94 (D): N 122.900 122.900 121.568 1.332 RESID 94 (D): C 175.300 175.300 176.130 -0.830 RESID 94 (D): CA 53.910 53.910 55.162 -1.252 RESID 94 (D): CB 42.030 42.030 42.245 -0.215 RESID 94 (D): H 8.497 8.497 7.737 0.760 RESID 95 (S): N 110.300 110.300 112.177 -1.877 RESID 95 (S): C 171.600 171.600 173.065 -1.465 RESID 95 (S): CA 57.850 57.850 57.406 0.444 RESID 95 (S): CB 66.410 66.410 66.493 -0.083 RESID 95 (S): H 6.844 6.844 7.882 -1.038 RESID 96 (R): N 124.300 124.300 119.770 4.530 RESID 96 (R): C 173.700 173.700 173.862 -0.162 RESID 96 (R): CA 57.450 57.450 55.895 1.555 RESID 96 (R): CB 34.070 34.070 34.354 -0.284 RESID 96 (R): H 9.227 9.227 8.828 0.399 RESID 97 (L): N 124.100 124.100 125.146 -1.046 RESID 97 (L): C 177.600 177.600 175.934 1.666 RESID 97 (L): CA 54.150 54.150 53.794 0.356 RESID 97 (L): CB 42.640 42.640 44.390 -1.750 RESID 97 (L): H 9.343 9.343 8.029 1.314 RESID 98 (V): N 124.500 124.500 123.244 1.256 RESID 98 (V): C 175.700 175.700 175.042 0.658 RESID 98 (V): CA 61.770 61.770 60.873 0.897 RESID 98 (V): CB 32.950 32.950 32.345 0.605 RESID 98 (V): H 9.500 9.500 7.998 1.502 RESID 99 (V): N 116.800 116.800 120.661 -3.861 RESID 99 (V): C 174.600 174.600 173.962 0.638 RESID 99 (V): CA 58.190 58.190 58.847 -0.657 RESID 99 (V): CB 36.780 36.780 35.764 1.016 RESID 99 (V): H 9.192 9.192 8.153 1.039 RESID 100 (A): N 123.400 123.400 122.640 0.760 RESID 100 (A): C 179.200 179.200 178.396 0.804 RESID 100 (A): CA 52.690 52.690 50.719 1.971 RESID 100 (A): CB 18.160 18.160 20.065 -1.905 RESID 100 (A): H 9.043 9.043 8.426 0.617 RESID 101 (K): N 119.600 119.600 123.644 -4.044 RESID 101 (K): C 176.800 176.800 177.008 -0.208 RESID 101 (K): CA 59.360 59.360 58.978 0.382 RESID 101 (K): CB 31.380 31.380 31.861 -0.481 RESID 101 (K): H 7.840 7.840 8.909 -1.069 RESID 102 (N): N 114.400 114.400 115.572 -1.172 RESID 102 (N): C 175.500 175.500 175.242 0.258 RESID 102 (N): CA 52.330 52.330 54.621 -2.291 RESID 102 (N): CB 36.990 36.990 38.612 -1.622 RESID 102 (N): H 7.941 7.941 8.168 -0.227 RESID 103 (S): N 114.800 114.800 114.669 0.131 RESID 103 (S): C 176.000 176.000 173.266 2.734 RESID 103 (S): CA 58.180 58.180 57.476 0.704 RESID 103 (S): CB 64.310 64.310 63.898 0.412 RESID 103 (S): H 7.700 7.700 7.637 0.063 RESID 104 (D): N 128.500 128.500 129.314 -0.814 RESID 104 (D): C 176.700 176.700 174.982 1.718 RESID 104 (D): CA 52.990 52.990 53.959 -0.969 RESID 104 (D): CB 40.330 40.330 40.941 -0.611 RESID 104 (D): H 8.548 8.548 8.548 -0.000 RESID 105 (I): N 122.800 122.800 124.003 -1.203 RESID 105 (I): C 173.800 173.800 174.506 -0.706 RESID 105 (I): CA 63.580 63.580 60.381 3.199 RESID 105 (I): CB 37.490 37.490 40.469 -2.979 RESID 105 (I): H 7.826 7.826 8.172 -0.346 RESID 106 (Q): N 124.600 124.600 125.185 -0.585 RESID 106 (Q): C 174.700 174.700 174.014 0.686 RESID 106 (Q): CA 51.380 51.380 52.049 -0.669 RESID 106 (Q): CB 31.050 31.050 29.024 2.026 RESID 106 (Q): H 8.174 8.174 8.379 -0.205 RESID 107 (P): C 175.300 175.300 175.776 -0.476 RESID 107 (P): CA 61.880 61.880 63.670 -1.790 RESID 107 (P): CB 26.860 26.860 30.761 -3.901 RESID 108 (T): N 114.600 114.600 117.710 -3.110 RESID 108 (T): C 174.000 174.000 174.395 -0.395 RESID 108 (T): CA 57.690 57.690 61.578 -3.888 RESID 108 (T): CB 71.020 71.020 72.115 -1.095 RESID 108 (T): H 8.531 8.531 7.741 0.790 RESID 109 (V): N 121.800 121.800 123.607 -1.807 RESID 109 (V): C 177.300 177.300 176.935 0.365 RESID 109 (V): CA 65.600 65.600 64.789 0.811 RESID 109 (V): CB 30.580 30.580 32.771 -2.191 RESID 109 (V): H 8.775 8.775 8.490 0.285 RESID 110 (E): N 116.900 116.900 120.787 -3.887 RESID 110 (E): C 178.400 178.400 178.658 -0.258 RESID 110 (E): CA 59.260 59.260 60.135 -0.875 RESID 110 (E): CB 28.170 28.170 29.046 -0.876 RESID 110 (E): H 8.414 8.414 8.383 0.031 RESID 111 (S): N 113.200 113.200 113.441 -0.241 RESID 111 (S): C 176.500 176.500 175.923 0.577 RESID 111 (S): CA 59.370 59.370 60.988 -1.618 RESID 111 (S): CB 63.730 63.730 62.520 1.210 RESID 111 (S): H 7.387 7.387 8.434 -1.047 RESID 112 (L): N 116.100 116.100 120.409 -4.309 RESID 112 (L): C 176.700 176.700 176.686 0.014 RESID 112 (L): CA 54.580 54.580 55.377 -0.797 RESID 112 (L): CB 42.650 42.650 42.559 0.091 RESID 112 (L): H 7.676 7.676 7.324 0.352 RESID 113 (K): N 121.000 121.000 119.222 1.778 RESID 113 (K): C 178.200 178.200 177.491 0.709 RESID 113 (K): CA 58.850 58.850 58.237 0.613 RESID 113 (K): CB 30.850 30.850 32.236 -1.386 RESID 113 (K): H 7.445 7.445 7.735 -0.290 RESID 114 (G): N 113.900 113.900 112.946 0.954 RESID 114 (G): C 174.200 174.200 174.805 -0.605 RESID 114 (G): CA 45.240 45.240 45.340 -0.100 RESID 114 (G): H 8.454 8.454 8.350 0.104 RESID 115 (K): N 120.600 120.600 121.772 -1.172 RESID 115 (K): C 174.800 174.800 176.119 -1.319 RESID 115 (K): CA 53.710 53.710 54.790 -1.080 RESID 115 (K): CB 31.990 31.990 33.265 -1.275 RESID 115 (K): H 8.530 8.530 7.885 0.645 RESID 116 (R): N 119.300 119.300 120.801 -1.501 RESID 116 (R): C 176.000 176.000 175.698 0.302 RESID 116 (R): CA 54.720 54.720 55.674 -0.954 RESID 116 (R): CB 32.310 32.310 31.773 0.537 RESID 116 (R): H 9.455 9.455 8.400 1.055 RESID 117 (V): N 126.100 126.100 122.992 3.108 RESID 117 (V): C 175.300 175.300 174.717 0.583 RESID 117 (V): CA 60.090 60.090 60.191 -0.101 RESID 117 (V): CB 33.620 33.620 35.966 -2.346 RESID 117 (V): H 9.217 9.217 8.583 0.634 RESID 118 (G): N 114.000 114.000 113.378 0.622 RESID 118 (G): C 172.300 172.300 172.562 -0.262 RESID 118 (G): CA 45.010 45.010 43.520 1.490 RESID 118 (G): H 9.367 9.367 8.029 1.338 RESID 119 (V): N 116.400 116.400 122.129 -5.729 RESID 119 (V): C 174.100 174.100 174.002 0.098 RESID 119 (V): CA 58.270 58.270 60.451 -2.181 RESID 119 (V): CB 36.370 36.370 37.007 -0.637 RESID 119 (V): H 9.166 9.166 9.315 -0.149 RESID 120 (L): N 124.400 124.400 124.102 0.298 RESID 120 (L): C 176.900 176.900 175.676 1.224 RESID 120 (L): CA 53.690 53.690 53.944 -0.254 RESID 120 (L): CB 41.240 41.240 42.753 -1.513 RESID 120 (L): H 8.961 8.961 8.836 0.125 RESID 121 (Q): N 128.000 128.000 127.122 0.878 RESID 121 (Q): C 176.900 176.900 177.255 -0.355 RESID 121 (Q): CA 56.680 56.680 57.063 -0.383 RESID 121 (Q): CB 27.920 27.920 29.528 -1.608 RESID 121 (Q): H 9.305 9.305 9.000 0.305 RESID 122 (G): N 113.600 113.600 113.585 0.015 RESID 122 (G): C 175.100 175.100 173.548 1.552 RESID 122 (G): CA 45.240 45.240 45.466 -0.226 RESID 122 (G): H 9.383 9.383 8.821 0.562 RESID 123 (T): N 108.400 108.400 110.089 -1.689 RESID 123 (T): C 176.800 176.800 174.429 2.371 RESID 123 (T): CA 60.260 60.260 59.978 0.282 RESID 123 (T): CB 73.530 73.530 70.683 2.847 RESID 123 (T): H 7.220 7.220 7.731 -0.511 RESID 124 (T): N 113.900 113.900 112.531 1.369 RESID 124 (T): C 178.100 178.100 176.519 1.581 RESID 124 (T): CA 63.990 63.990 64.631 -0.641 RESID 124 (T): CB 67.740 67.740 68.722 -0.982 RESID 124 (T): H 8.934 8.934 8.668 0.266 RESID 125 (Q): N 120.600 120.600 122.424 -1.824 RESID 125 (Q): C 178.300 178.300 178.079 0.221 RESID 125 (Q): CA 61.670 61.670 59.770 1.900 RESID 125 (Q): CB 25.310 25.310 28.052 -2.742 RESID 125 (Q): H 7.521 7.521 8.272 -0.751 RESID 126 (E): N 121.900 121.900 119.787 2.113 RESID 126 (E): C 177.600 177.600 178.894 -1.294 RESID 126 (E): CA 59.630 59.630 59.828 -0.198 RESID 126 (E): CB 28.730 28.730 29.636 -0.906 RESID 126 (E): H 7.717 7.717 7.812 -0.095 RESID 127 (T): N 117.800 117.800 116.210 1.590 RESID 127 (T): C 176.200 176.200 176.347 -0.147 RESID 127 (T): CA 66.340 66.340 66.845 -0.505 RESID 127 (T): CB 67.590 67.590 68.735 -1.145 RESID 127 (T): H 8.175 8.175 7.612 0.563 RESID 128 (F): N 121.900 121.900 121.950 -0.050 RESID 128 (F): C 178.000 178.000 177.525 0.475 RESID 128 (F): CA 61.590 61.590 60.696 0.894 RESID 128 (F): CB 38.810 38.810 38.928 -0.118 RESID 128 (F): H 8.882 8.882 8.575 0.307 RESID 129 (G): N 107.000 107.000 107.134 -0.134 RESID 129 (G): C 176.100 176.100 176.470 -0.370 RESID 129 (G): CA 46.690 46.690 47.222 -0.532 RESID 129 (G): H 8.900 8.900 9.153 -0.253 RESID 130 (N): N 123.000 123.000 118.432 4.568 RESID 130 (N): C 176.200 176.200 175.826 0.374 RESID 130 (N): CA 55.400 55.400 55.330 0.070 RESID 130 (N): CB 37.570 37.570 38.197 -0.627 RESID 130 (N): H 8.915 8.915 8.545 0.370 RESID 131 (E): N 119.000 119.000 116.740 2.260 RESID 131 (E): C 177.900 177.900 177.093 0.807 RESID 131 (E): CA 57.940 57.940 56.705 1.235 RESID 131 (E): CB 29.350 29.350 30.761 -1.411 RESID 131 (E): H 7.907 7.907 7.485 0.422 RESID 132 (H): N 112.600 112.600 118.644 -6.044 RESID 132 (H): C 175.900 175.900 175.555 0.345 RESID 132 (H): CA 56.910 56.910 58.778 -1.868 RESID 132 (H): CB 30.510 30.510 29.803 0.707 RESID 132 (H): H 7.877 7.877 7.876 0.001 RESID 133 (W): N 119.300 119.300 117.439 1.861 RESID 133 (W): C 176.800 176.800 176.181 0.619 RESID 133 (W): CA 55.570 55.570 56.539 -0.969 RESID 133 (W): CB 30.400 30.400 29.746 0.654 RESID 133 (W): H 7.653 7.653 7.505 0.148 RESID 134 (A): N 125.400 125.400 124.645 0.755 RESID 134 (A): C 177.700 177.700 177.216 0.484 RESID 134 (A): CA 55.410 55.410 54.638 0.772 RESID 134 (A): CB 15.990 15.990 16.802 -0.812 RESID 134 (A): H 8.711 8.711 7.539 1.172 RESID 135 (P): C 177.200 177.200 177.383 -0.183 RESID 135 (P): CA 64.510 64.510 64.186 0.324 RESID 135 (P): CB 30.800 30.800 30.990 -0.190 RESID 136 (K): N 115.800 115.800 116.236 -0.436 RESID 136 (K): C 176.500 176.500 177.643 -1.143 RESID 136 (K): CA 53.530 53.530 55.932 -2.402 RESID 136 (K): CB 31.430 31.430 32.061 -0.631 RESID 136 (K): H 7.665 7.665 8.122 -0.457 RESID 137 (G): N 106.100 106.100 108.363 -2.263 RESID 137 (G): C 174.300 174.300 173.540 0.760 RESID 137 (G): CA 45.740 45.740 45.371 0.369 RESID 137 (G): H 7.864 7.864 7.670 0.194 RESID 138 (I): N 124.400 124.400 119.391 5.009 RESID 138 (I): C 174.400 174.400 174.781 -0.381 RESID 138 (I): CA 60.460 60.460 60.110 0.350 RESID 138 (I): CB 38.080 38.080 39.822 -1.742 RESID 138 (I): H 6.889 6.889 7.478 -0.589 RESID 139 (E): N 128.400 128.400 127.254 1.146 RESID 139 (E): C 173.900 173.900 175.097 -1.197 RESID 139 (E): CA 56.050 56.050 55.606 0.444 RESID 139 (E): CB 29.490 29.490 31.204 -1.714 RESID 139 (E): H 8.230 8.230 8.340 -0.110 RESID 140 (I): N 129.500 129.500 121.643 7.857 RESID 140 (I): C 176.100 176.100 174.744 1.356 RESID 140 (I): CA 57.100 57.100 59.013 -1.913 RESID 140 (I): CB 34.440 34.440 40.615 -6.175 RESID 140 (I): H 8.642 8.642 8.354 0.288 RESID 141 (V): N 133.000 133.000 125.130 7.870 RESID 141 (V): C 174.400 174.400 174.447 -0.047 RESID 141 (V): CA 61.060 61.060 61.146 -0.086 RESID 141 (V): CB 32.410 32.410 36.293 -3.883 RESID 141 (V): H 9.387 9.387 9.077 0.310 RESID 142 (S): N 122.900 122.900 120.240 2.660 RESID 142 (S): C 175.000 175.000 173.605 1.395 RESID 142 (S): CA 57.710 57.710 57.072 0.638 RESID 142 (S): CB 63.710 63.710 63.868 -0.158 RESID 142 (S): H 8.490 8.490 8.359 0.131 RESID 143 (Y): N 123.400 123.400 125.915 -2.515 RESID 143 (Y): C 175.900 175.900 176.427 -0.527 RESID 143 (Y): CA 57.300 57.300 57.663 -0.363 RESID 143 (Y): CB 42.300 42.300 41.381 0.919 RESID 143 (Y): H 8.979 8.979 9.326 -0.347 RESID 144 (Q): N 119.500 119.500 119.738 -0.238 RESID 144 (Q): C 176.000 176.000 174.969 1.031 RESID 144 (Q): CA 56.490 56.490 55.906 0.584 RESID 144 (Q): CB 28.470 28.470 29.920 -1.450 RESID 144 (Q): H 8.974 8.974 8.732 0.242 RESID 145 (G): N 106.800 106.800 107.320 -0.520 RESID 145 (G): C 173.500 173.500 174.166 -0.666 RESID 145 (G): CA 44.300 44.300 44.294 0.006 RESID 145 (G): H 7.531 7.531 7.861 -0.330 RESID 146 (Q): N 124.300 124.300 122.888 1.412 RESID 146 (Q): C 177.200 177.200 177.358 -0.158 RESID 146 (Q): CA 57.800 57.800 58.818 -1.018 RESID 146 (Q): CB 28.190 28.190 28.636 -0.446 RESID 146 (Q): H 8.949 8.949 8.864 0.085 RESID 147 (D): N 117.900 117.900 118.424 -0.524 RESID 147 (D): C 178.900 178.900 178.478 0.422 RESID 147 (D): CA 56.650 56.650 56.863 -0.213 RESID 147 (D): CB 38.890 38.890 39.745 -0.855 RESID 147 (D): H 8.746 8.746 8.785 -0.039 RESID 148 (N): N 117.500 117.500 117.753 -0.253 RESID 148 (N): C 176.700 176.700 177.266 -0.566 RESID 148 (N): CA 55.160 55.160 55.608 -0.448 RESID 148 (N): CB 38.700 38.700 38.091 0.609 RESID 148 (N): H 7.496 7.496 8.553 -1.057 RESID 149 (I): N 120.000 120.000 119.739 0.261 RESID 149 (I): C 177.400 177.400 177.565 -0.165 RESID 149 (I): CA 64.450 64.450 65.064 -0.614 RESID 149 (I): CB 35.900 35.900 37.593 -1.694 RESID 149 (I): H 6.793 6.793 7.088 -0.295 RESID 150 (Y): N 117.400 117.400 118.215 -0.815 RESID 150 (Y): C 178.800 178.800 178.052 0.748 RESID 150 (Y): CA 59.730 59.730 61.651 -1.921 RESID 150 (Y): CB 35.970 35.970 37.639 -1.669 RESID 150 (Y): H 6.897 6.897 7.389 -0.492 RESID 151 (S): N 117.000 117.000 114.925 2.075 RESID 151 (S): C 177.000 177.000 177.009 -0.009 RESID 151 (S): CA 61.300 61.300 61.685 -0.385 RESID 151 (S): CB 62.100 62.100 62.223 -0.123 RESID 151 (S): H 8.186 8.186 8.269 -0.083 RESID 152 (D): N 122.300 122.300 123.170 -0.870 RESID 152 (D): C 179.000 179.000 178.328 0.672 RESID 152 (D): CA 56.580 56.580 56.868 -0.288 RESID 152 (D): CB 38.240 38.240 40.374 -2.134 RESID 152 (D): H 7.541 7.541 7.720 -0.179 RESID 153 (L): N 124.100 124.100 121.162 2.938 RESID 153 (L): C 180.300 180.300 178.541 1.759 RESID 153 (L): CA 58.160 58.160 57.544 0.616 RESID 153 (L): CB 41.630 41.630 41.829 -0.199 RESID 153 (L): H 8.372 8.372 7.857 0.515 RESID 154 (T): N 111.900 111.900 113.535 -1.635 RESID 154 (T): C 176.700 176.700 175.353 1.347 RESID 154 (T): CA 63.920 63.920 65.441 -1.521 RESID 154 (T): CB 68.700 68.700 69.008 -0.309 RESID 154 (T): H 8.389 8.389 8.313 0.076 RESID 155 (A): N 121.800 121.800 120.064 1.736 RESID 155 (A): C 178.200 178.200 178.037 0.163 RESID 155 (A): CA 51.640 51.640 52.307 -0.667 RESID 155 (A): CB 18.990 18.990 19.377 -0.387 RESID 155 (A): H 7.444 7.444 7.066 0.378 RESID 156 (G): N 107.800 107.800 107.089 0.711 RESID 156 (G): C 175.100 175.100 175.369 -0.269 RESID 156 (G): CA 45.420 45.420 45.172 0.248 RESID 156 (G): H 7.921 7.921 8.016 -0.095 RESID 157 (R): N 119.000 119.000 119.226 -0.226 RESID 157 (R): C 176.600 176.600 175.722 0.878 RESID 157 (R): CA 57.260 57.260 57.641 -0.381 RESID 157 (R): CB 30.400 30.400 30.764 -0.364 RESID 157 (R): H 8.443 8.443 8.123 0.320 RESID 158 (I): N 108.900 108.900 112.817 -3.917 RESID 158 (I): C 173.700 173.700 174.302 -0.602 RESID 158 (I): CA 59.900 59.900 59.209 0.691 RESID 158 (I): CB 40.070 40.070 41.065 -0.995 RESID 158 (I): H 7.109 7.109 7.116 -0.007 RESID 159 (D): N 119.100 119.100 123.820 -4.720 RESID 159 (D): C 174.700 174.700 175.660 -0.960 RESID 159 (D): CA 55.900 55.900 56.316 -0.416 RESID 159 (D): CB 43.630 43.630 41.715 1.915 RESID 159 (D): H 8.737 8.737 8.562 0.175 RESID 160 (A): N 116.400 116.400 116.436 -0.036 RESID 160 (A): C 174.900 174.900 174.320 0.580 RESID 160 (A): CA 50.190 50.190 51.482 -1.292 RESID 160 (A): CB 23.030 23.030 21.350 1.680 RESID 160 (A): H 7.702 7.702 7.166 0.536 RESID 161 (A): N 123.400 123.400 121.782 1.618 RESID 161 (A): C 175.500 175.500 175.699 -0.199 RESID 161 (A): CA 49.730 49.730 50.266 -0.536 RESID 161 (A): CB 21.110 21.110 21.616 -0.506 RESID 161 (A): H 8.915 8.915 7.998 0.917 RESID 162 (F): N 125.100 125.100 122.575 2.525 RESID 162 (F): C 172.900 172.900 174.999 -2.099 RESID 162 (F): CA 54.500 54.500 58.234 -3.734 RESID 162 (F): CB 39.400 39.400 38.821 0.580 RESID 162 (F): H 8.971 8.971 8.431 0.540 RESID 163 (Q): N 124.600 124.600 123.371 1.229 RESID 163 (Q): C 173.400 173.400 173.702 -0.302 RESID 163 (Q): CA 53.550 53.550 53.641 -0.091 RESID 163 (Q): CB 34.390 34.390 33.155 1.235 RESID 163 (Q): H 7.904 7.904 8.329 -0.425 RESID 164 (D): N 122.300 122.300 121.227 1.073 RESID 164 (D): C 175.800 175.800 177.261 -1.461 RESID 164 (D): CA 55.540 55.540 54.510 1.030 RESID 164 (D): CB 42.370 42.370 42.064 0.306 RESID 164 (D): H 8.304 8.304 8.453 -0.149 RESID 165 (E): N 128.600 128.600 122.893 5.707 RESID 165 (E): C 177.700 177.700 178.129 -0.429 RESID 165 (E): CA 60.230 60.230 60.144 0.086 RESID 165 (E): CB 30.020 30.020 29.837 0.183 RESID 165 (E): H 8.605 8.605 8.783 -0.178 RESID 166 (V): N 120.100 120.100 118.851 1.249 RESID 166 (V): C 178.300 178.300 177.303 0.997 RESID 166 (V): CA 66.800 66.800 66.719 0.081 RESID 166 (V): CB 30.070 30.070 30.291 -0.221 RESID 166 (V): H 8.748 8.748 8.222 0.526 RESID 167 (A): N 123.200 123.200 120.066 3.134 RESID 167 (A): C 182.500 182.500 179.094 3.406 RESID 167 (A): CA 54.980 54.980 54.717 0.264 RESID 167 (A): CB 17.910 17.910 18.057 -0.147 RESID 167 (A): H 8.655 8.655 7.955 0.700 RESID 168 (A): N 121.300 121.300 122.168 -0.868 RESID 168 (A): C 179.800 179.800 179.723 0.077 RESID 168 (A): CA 54.180 54.180 54.558 -0.378 RESID 168 (A): CB 18.750 18.750 18.436 0.314 RESID 168 (A): H 8.349 8.349 7.885 0.464 RESID 169 (S): N 113.400 113.400 114.447 -1.047 RESID 169 (S): C 175.700 175.700 176.196 -0.496 RESID 169 (S): CA 61.050 61.050 62.571 -1.521 RESID 169 (S): CB 63.050 63.050 62.670 0.380 RESID 169 (S): H 8.058 8.058 8.130 -0.072 RESID 170 (E): N 115.600 115.600 120.413 -4.813 RESID 170 (E): C 178.800 178.800 177.415 1.385 RESID 170 (E): CA 57.610 57.610 58.106 -0.496 RESID 170 (E): CB 29.790 29.790 29.047 0.743 RESID 170 (E): H 8.824 8.824 7.843 0.981 RESID 171 (G): N 103.400 103.400 104.973 -1.573 RESID 171 (G): C 173.700 173.700 175.009 -1.309 RESID 171 (G): CA 44.970 44.970 45.276 -0.306 RESID 171 (G): H 8.154 8.154 7.335 0.819 RESID 172 (F): N 120.100 120.100 122.494 -2.394 RESID 172 (F): C 175.200 175.200 177.703 -2.503 RESID 172 (F): CA 60.690 60.690 61.162 -0.472 RESID 172 (F): CB 40.740 40.740 39.102 1.638 RESID 172 (F): H 7.297 7.297 8.358 -1.061 RESID 173 (L): N 117.800 117.800 117.793 0.007 RESID 173 (L): C 179.000 179.000 178.298 0.702 RESID 173 (L): CA 57.670 57.670 56.862 0.808 RESID 173 (L): CB 40.020 40.020 41.861 -1.841 RESID 173 (L): H 8.470 8.470 7.533 0.937 RESID 174 (K): N 114.600 114.600 116.430 -1.830 RESID 174 (K): C 176.900 176.900 176.441 0.459 RESID 174 (K): CA 56.450 56.450 57.313 -0.863 RESID 174 (K): CB 31.770 31.770 32.664 -0.894 RESID 174 (K): H 8.018 8.018 7.664 0.354 RESID 175 (Q): N 118.800 118.800 116.853 1.947 RESID 175 (Q): C 176.000 176.000 174.004 1.996 RESID 175 (Q): CA 52.510 52.510 52.298 0.212 RESID 175 (Q): CB 26.740 26.740 29.896 -3.156 RESID 175 (Q): H 7.151 7.151 7.268 -0.117 RESID 176 (P): C 179.300 179.300 177.462 1.838 RESID 176 (P): CA 66.100 66.100 65.389 0.711 RESID 176 (P): CB 30.720 30.720 31.592 -0.872 RESID 177 (V): N 112.300 112.300 117.018 -4.718 RESID 177 (V): C 175.900 175.900 177.961 -2.061 RESID 177 (V): CA 62.860 62.860 66.075 -3.215 RESID 177 (V): CB 30.660 30.660 30.625 0.035 RESID 177 (V): H 7.480 7.480 7.792 -0.312 RESID 178 (G): N 109.700 109.700 105.759 3.941 RESID 178 (G): C 175.000 175.000 174.473 0.527 RESID 178 (G): CA 44.080 44.080 46.448 -2.368 RESID 178 (G): H 7.173 7.173 7.516 -0.343 RESID 179 (K): N 120.900 120.900 119.149 1.751 RESID 179 (K): C 177.100 177.100 177.360 -0.260 RESID 179 (K): CA 58.360 58.360 58.448 -0.088 RESID 179 (K): CB 31.260 31.260 32.072 -0.812 RESID 179 (K): H 6.972 6.972 7.196 -0.224 RESID 180 (D): N 117.200 117.200 117.119 0.081 RESID 180 (D): C 173.900 173.900 175.846 -1.946 RESID 180 (D): CA 53.920 53.920 55.883 -1.963 RESID 180 (D): CB 39.690 39.690 41.265 -1.575 RESID 180 (D): H 8.036 8.036 7.550 0.486 RESID 181 (Y): N 120.500 120.500 114.981 5.519 RESID 181 (Y): C 172.300 172.300 173.474 -1.174 RESID 181 (Y): CA 57.890 57.890 57.692 0.198 RESID 181 (Y): CB 41.860 41.860 42.303 -0.443 RESID 181 (Y): H 7.768 7.768 7.402 0.366 RESID 182 (K): N 116.900 116.900 118.721 -1.821 RESID 182 (K): C 174.900 174.900 174.279 0.621 RESID 182 (K): CA 54.330 54.330 56.452 -2.122 RESID 182 (K): CB 35.610 35.610 33.328 2.282 RESID 182 (K): H 9.497 9.497 8.839 0.658 RESID 183 (F): N 117.900 117.900 121.083 -3.183 RESID 183 (F): C 177.800 177.800 175.136 2.664 RESID 183 (F): CA 56.780 56.780 57.891 -1.111 RESID 183 (F): CB 38.320 38.320 42.970 -4.650 RESID 183 (F): H 8.470 8.470 8.126 0.344 RESID 184 (G): N 113.700 113.700 108.986 4.714 RESID 184 (G): C 173.300 173.300 174.863 -1.563 RESID 184 (G): CA 46.900 46.900 44.916 1.984 RESID 184 (G): H 9.107 9.107 8.819 0.288 RESID 185 (G): N 111.000 111.000 108.802 2.198 RESID 185 (G): C 171.100 171.100 172.858 -1.758 RESID 185 (G): CA 44.530 44.530 45.432 -0.902 RESID 185 (G): H 7.702 7.702 8.252 -0.550 RESID 186 (P): C 175.500 175.500 176.191 -0.691 RESID 186 (P): CA 61.920 61.920 64.437 -2.517 RESID 186 (P): CB 32.640 32.640 31.886 0.754 RESID 187 (S): N 113.500 113.500 120.014 -6.514 RESID 187 (S): C 173.500 173.500 173.833 -0.333 RESID 187 (S): CA 57.930 57.930 57.456 0.474 RESID 187 (S): CB 63.260 63.260 65.677 -2.417 RESID 187 (S): H 8.452 8.452 8.314 0.138 RESID 188 (V): N 123.300 123.300 121.759 1.541 RESID 188 (V): C 173.900 173.900 173.627 0.273 RESID 188 (V): CA 61.800 61.800 62.305 -0.505 RESID 188 (V): CB 32.680 32.680 34.694 -2.014 RESID 188 (V): H 9.080 9.080 7.854 1.226 RESID 189 (K): N 125.200 125.200 122.474 2.726 RESID 189 (K): C 176.700 176.700 174.085 2.615 RESID 189 (K): CA 54.680 54.680 56.180 -1.500 RESID 189 (K): CB 33.780 33.780 34.727 -0.948 RESID 189 (K): H 8.123 8.123 8.143 -0.020 RESID 190 (D): N 120.300 120.300 122.085 -1.785 RESID 190 (D): C 175.300 175.300 176.878 -1.578 RESID 190 (D): CA 55.610 55.610 53.445 2.165 RESID 190 (D): CB 42.620 42.620 40.429 2.191 RESID 190 (D): H 8.823 8.823 8.290 0.533 RESID 191 (E): N 129.100 129.100 126.570 2.530 RESID 191 (E): C 177.300 177.300 177.550 -0.250 RESID 191 (E): CA 59.310 59.310 58.435 0.875 RESID 191 (E): CB 28.420 28.420 29.526 -1.106 RESID 191 (E): H 9.239 9.239 8.840 0.399 RESID 192 (K): N 118.000 118.000 119.254 -1.254 RESID 192 (K): C 178.200 178.200 178.047 0.153 RESID 192 (K): CA 58.140 58.140 58.923 -0.783 RESID 192 (K): CB 31.690 31.690 32.136 -0.446 RESID 192 (K): H 7.918 7.918 8.764 -0.846 RESID 193 (L): N 118.200 118.200 117.957 0.243 RESID 193 (L): C 177.700 177.700 177.714 -0.014 RESID 193 (L): CA 55.790 55.790 56.966 -1.176 RESID 193 (L): CB 42.330 42.330 42.062 0.268 RESID 193 (L): H 8.362 8.362 7.131 1.231 RESID 194 (F): N 116.800 116.800 113.452 3.348 RESID 194 (F): C 178.200 178.200 175.823 2.377 RESID 194 (F): CA 54.620 54.620 57.264 -2.644 RESID 194 (F): CB 37.390 37.390 39.750 -2.360 RESID 194 (F): H 8.036 8.036 7.290 0.746 RESID 195 (G): N 106.900 106.900 108.875 -1.975 RESID 195 (G): C 174.200 174.200 173.866 0.334 RESID 195 (G): CA 44.120 44.120 45.034 -0.914 RESID 195 (G): H 7.510 7.510 7.682 -0.172 RESID 196 (V): N 112.400 112.400 123.637 -11.237 RESID 196 (V): C 175.300 175.300 175.998 -0.698 RESID 196 (V): CA 60.720 60.720 64.244 -3.524 RESID 196 (V): CB 30.630 30.630 32.175 -1.545 RESID 196 (V): H 8.064 8.064 8.292 -0.228 RESID 197 (G): N 108.100 108.100 105.310 2.790 RESID 197 (G): C 172.300 172.300 172.007 0.293 RESID 197 (G): CA 43.210 43.210 45.257 -2.047 RESID 197 (G): H 7.788 7.788 7.239 0.549 RESID 198 (T): N 109.200 109.200 113.737 -4.537 RESID 198 (T): C 172.800 172.800 173.227 -0.427 RESID 198 (T): CA 59.090 59.090 59.358 -0.268 RESID 198 (T): CB 71.080 71.080 71.294 -0.214 RESID 198 (T): H 7.796 7.796 7.944 -0.148 RESID 199 (G): N 103.900 103.900 108.597 -4.697 RESID 199 (G): C 171.800 171.800 172.589 -0.789 RESID 199 (G): CA 43.840 43.840 45.349 -1.509 RESID 199 (G): H 7.928 7.928 7.837 0.091 RESID 200 (M): N 121.400 121.400 119.749 1.651 RESID 200 (M): C 176.200 176.200 175.995 0.205 RESID 200 (M): CA 55.260 55.260 55.206 0.054 RESID 200 (M): CB 33.390 33.390 35.137 -1.747 RESID 200 (M): H 7.971 7.971 8.500 -0.529 RESID 201 (G): N 112.200 112.200 110.553 1.647 RESID 201 (G): C 172.000 172.000 172.801 -0.801 RESID 201 (G): CA 44.540 44.540 44.394 0.146 RESID 201 (G): H 8.818 8.818 8.379 0.439 RESID 202 (L): N 124.700 124.700 124.965 -0.265 RESID 202 (L): C 176.000 176.000 175.949 0.051 RESID 202 (L): CA 53.740 53.740 52.839 0.901 RESID 202 (L): CB 46.010 46.010 45.949 0.061 RESID 202 (L): H 8.767 8.767 8.644 0.123 RESID 203 (R): N 121.600 121.600 120.133 1.467 RESID 203 (R): C 180.400 180.400 177.909 2.491 RESID 203 (R): CA 57.130 57.130 55.444 1.685 RESID 203 (R): CB 29.650 29.650 31.296 -1.645 RESID 203 (R): H 10.270 10.270 8.128 2.142 RESID 204 (K): N 123.200 123.200 124.394 -1.194 RESID 204 (K): C 178.200 178.200 177.674 0.526 RESID 204 (K): CA 59.570 59.570 59.672 -0.102 RESID 204 (K): CB 31.840 31.840 32.150 -0.310 RESID 204 (K): H 9.231 9.231 8.670 0.561 RESID 205 (E): N 113.800 113.800 117.147 -3.347 RESID 205 (E): C 177.700 177.700 177.903 -0.203 RESID 205 (E): CA 57.230 57.230 58.226 -0.996 RESID 205 (E): CB 27.770 27.770 28.904 -1.134 RESID 205 (E): H 9.026 9.026 8.224 0.802 RESID 206 (D): N 126.000 126.000 120.896 5.104 RESID 206 (D): C 177.300 177.300 176.510 0.790 RESID 206 (D): CA 53.710 53.710 53.671 0.039 RESID 206 (D): CB 37.530 37.530 38.685 -1.155 RESID 206 (D): H 7.253 7.253 8.024 -0.771 RESID 207 (N): N 120.100 120.100 120.433 -0.333 RESID 207 (N): C 176.900 176.900 177.017 -0.117 RESID 207 (N): CA 56.950 56.950 56.432 0.518 RESID 207 (N): CB 38.820 38.820 38.894 -0.074 RESID 207 (N): H 7.839 7.839 8.730 -0.891 RESID 208 (E): N 120.500 120.500 118.944 1.556 RESID 208 (E): C 179.900 179.900 178.456 1.444 RESID 208 (E): CA 59.870 59.870 58.965 0.905 RESID 208 (E): CB 27.630 27.630 29.452 -1.822 RESID 208 (E): H 8.776 8.776 8.328 0.448 RESID 209 (L): N 122.900 122.900 120.463 2.437 RESID 209 (L): C 177.100 177.100 178.211 -1.111 RESID 209 (L): CA 57.400 57.400 57.524 -0.124 RESID 209 (L): CB 40.660 40.660 41.825 -1.165 RESID 209 (L): H 8.366 8.366 7.851 0.515 RESID 210 (R): N 119.100 119.100 118.773 0.327 RESID 210 (R): C 177.400 177.400 178.201 -0.801 RESID 210 (R): CA 59.970 59.970 59.764 0.206 RESID 210 (R): CB 30.110 30.110 30.024 0.086 RESID 210 (R): H 7.582 7.582 8.333 -0.751 RESID 211 (E): N 116.200 116.200 119.244 -3.044 RESID 211 (E): C 179.800 179.800 178.528 1.272 RESID 211 (E): CA 59.150 59.150 59.260 -0.109 RESID 211 (E): CB 28.600 28.600 29.586 -0.986 RESID 211 (E): H 8.407 8.407 7.870 0.537 RESID 212 (A): N 123.500 123.500 122.701 0.799 RESID 212 (A): C 181.300 181.300 179.646 1.654 RESID 212 (A): CA 54.810 54.810 54.724 0.086 RESID 212 (A): CB 17.170 17.170 18.133 -0.963 RESID 212 (A): H 8.128 8.128 7.618 0.510 RESID 213 (L): N 121.200 121.200 119.633 1.567 RESID 213 (L): C 178.400 178.400 179.631 -1.231 RESID 213 (L): CA 57.710 57.710 58.187 -0.477 RESID 213 (L): CB 41.450 41.450 41.198 0.252 RESID 213 (L): H 8.364 8.364 8.078 0.286 RESID 214 (N): N 119.200 119.200 116.461 2.739 RESID 214 (N): C 179.700 179.700 177.838 1.862 RESID 214 (N): CA 55.260 55.260 55.877 -0.617 RESID 214 (N): CB 37.120 37.120 37.930 -0.810 RESID 214 (N): H 8.435 8.435 8.355 0.080 RESID 215 (K): N 123.800 123.800 121.353 2.447 RESID 215 (K): C 178.400 178.400 178.523 -0.123 RESID 215 (K): CA 59.090 59.090 59.404 -0.314 RESID 215 (K): CB 31.740 31.740 32.483 -0.743 RESID 215 (K): H 8.080 8.080 8.444 -0.364 RESID 216 (A): N 122.200 122.200 121.758 0.442 RESID 216 (A): C 179.500 179.500 179.519 -0.019 RESID 216 (A): CA 54.140 54.140 54.879 -0.739 RESID 216 (A): CB 18.700 18.700 18.268 0.432 RESID 216 (A): H 7.935 7.935 8.263 -0.328 RESID 217 (F): N 119.500 119.500 120.158 -0.658 RESID 217 (F): C 177.200 177.200 176.983 0.217 RESID 217 (F): CA 61.390 61.390 60.230 1.160 RESID 217 (F): CB 38.000 38.000 39.054 -1.054 RESID 217 (F): H 8.916 8.916 8.323 0.593 RESID 218 (A): N 121.300 121.300 121.230 0.070 RESID 218 (A): C 182.100 182.100 179.661 2.439 RESID 218 (A): CA 54.810 54.810 55.225 -0.415 RESID 218 (A): CB 16.650 16.650 17.976 -1.326 RESID 218 (A): H 7.956 7.956 8.198 -0.242 RESID 219 (E): N 120.000 120.000 119.041 0.959 RESID 219 (E): C 178.600 178.600 179.014 -0.414 RESID 219 (E): CA 59.040 59.040 59.338 -0.298 RESID 219 (E): CB 28.320 28.320 29.478 -1.158 RESID 219 (E): H 7.952 7.952 7.864 0.088 RESID 220 (M): N 120.900 120.900 118.265 2.635 RESID 220 (M): C 179.000 179.000 178.662 0.338 RESID 220 (M): CA 57.430 57.430 59.426 -1.996 RESID 220 (M): CB 32.620 32.620 32.497 0.123 RESID 220 (M): H 8.190 8.190 8.087 0.103 RESID 221 (R): N 119.200 119.200 118.408 0.792 RESID 221 (R): C 179.300 179.300 178.986 0.314 RESID 221 (R): CA 58.710 58.710 59.124 -0.414 RESID 221 (R): CB 27.480 27.480 29.880 -2.400 RESID 221 (R): H 7.762 7.762 7.518 0.244 RESID 222 (A): N 122.500 122.500 122.004 0.496 RESID 222 (A): C 179.300 179.300 178.964 0.336 RESID 222 (A): CA 54.180 54.180 54.583 -0.403 RESID 222 (A): CB 18.030 18.030 18.608 -0.578 RESID 222 (A): H 7.838 7.838 7.788 0.050 RESID 223 (D): N 115.100 115.100 114.768 0.332 RESID 223 (D): C 177.900 177.900 177.245 0.655 RESID 223 (D): CA 53.020 53.020 53.181 -0.161 RESID 223 (D): CB 39.570 39.570 40.295 -0.725 RESID 223 (D): H 8.091 8.091 8.060 0.031 RESID 224 (G): N 106.700 106.700 108.295 -1.595 RESID 224 (G): C 176.000 176.000 176.063 -0.063 RESID 224 (G): CA 45.070 45.070 46.313 -1.243 RESID 224 (G): H 7.199 7.199 7.430 -0.231 RESID 225 (T): N 122.400 122.400 117.133 5.267 RESID 225 (T): C 175.700 175.700 175.263 0.437 RESID 225 (T): CA 67.610 67.610 68.077 -0.467 RESID 225 (T): CB 66.840 66.840 68.787 -1.947 RESID 225 (T): H 9.095 9.095 9.324 -0.229 RESID 226 (Y): N 121.500 121.500 121.690 -0.190 RESID 226 (Y): C 176.000 176.000 176.918 -0.918 RESID 226 (Y): CA 62.530 62.530 62.283 0.247 RESID 226 (Y): CB 38.410 38.410 38.325 0.085 RESID 226 (Y): H 8.040 8.040 7.649 0.391 RESID 227 (E): N 118.200 118.200 118.682 -0.482 RESID 227 (E): C 178.200 178.200 178.692 -0.492 RESID 227 (E): CA 58.940 58.940 59.469 -0.529 RESID 227 (E): CB 28.810 28.810 29.131 -0.322 RESID 227 (E): H 8.153 8.153 8.600 -0.447 RESID 228 (K): N 119.100 119.100 120.436 -1.336 RESID 228 (K): C 179.500 179.500 179.055 0.445 RESID 228 (K): CA 59.260 59.260 59.488 -0.228 RESID 228 (K): CB 31.520 31.520 32.419 -0.899 RESID 228 (K): H 7.558 7.558 8.374 -0.816 RESID 229 (L): N 119.100 119.100 119.391 -0.291 RESID 229 (L): C 179.300 179.300 178.805 0.495 RESID 229 (L): CA 56.970 56.970 57.711 -0.741 RESID 229 (L): CB 41.520 41.520 41.879 -0.359 RESID 229 (L): H 8.055 8.055 8.105 -0.050 RESID 230 (A): N 121.200 121.200 122.092 -0.892 RESID 230 (A): C 180.500 180.500 179.220 1.280 RESID 230 (A): CA 54.890 54.890 55.520 -0.630 RESID 230 (A): CB 17.570 17.570 17.721 -0.151 RESID 230 (A): H 8.901 8.901 8.330 0.571 RESID 231 (K): N 117.200 117.200 117.946 -0.746 RESID 231 (K): C 177.700 177.700 178.123 -0.423 RESID 231 (K): CA 57.370 57.370 58.763 -1.393 RESID 231 (K): CB 31.330 31.330 32.346 -1.016 RESID 231 (K): H 8.062 8.062 8.050 0.012 RESID 232 (K): N 117.600 117.600 116.687 0.913 RESID 232 (K): C 176.800 176.800 179.180 -2.380 RESID 232 (K): CA 57.890 57.890 58.625 -0.735 RESID 232 (K): CB 31.150 31.150 32.543 -1.393 RESID 232 (K): H 7.053 7.053 7.431 -0.378 RESID 233 (Y): N 114.000 114.000 117.012 -3.012 RESID 233 (Y): C 175.100 175.100 175.735 -0.635 RESID 233 (Y): CA 58.110 58.110 61.173 -3.063 RESID 233 (Y): CB 39.360 39.360 38.864 0.496 RESID 233 (Y): H 7.013 7.013 7.972 -0.959 RESID 234 (F): N 116.400 116.400 113.354 3.046 RESID 234 (F): C 175.800 175.800 173.427 2.373 RESID 234 (F): CA 54.920 54.920 56.780 -1.860 RESID 234 (F): CB 41.260 41.260 42.786 -1.526 RESID 234 (F): H 8.038 8.038 8.154 -0.116 RESID 235 (D): N 123.000 123.000 120.693 2.307 RESID 235 (D): C 174.500 174.500 175.102 -0.602 RESID 235 (D): CA 52.680 52.680 53.437 -0.757 RESID 235 (D): CB 39.860 39.860 39.744 0.116 RESID 235 (D): H 8.879 8.879 8.631 0.248 RESID 236 (F): N 115.500 115.500 122.112 -6.612 RESID 236 (F): C 173.600 173.600 173.560 0.040 RESID 236 (F): CA 53.950 53.950 56.319 -2.369 RESID 236 (F): CB 39.860 39.860 39.804 0.056 RESID 236 (F): H 6.793 6.793 7.436 -0.643 RESID 237 (D): N 119.700 119.700 122.017 -2.317 RESID 237 (D): C 175.800 175.800 177.192 -1.392 RESID 237 (D): CA 52.980 52.980 52.690 0.290 RESID 237 (D): CB 39.210 39.210 42.030 -2.820 RESID 237 (D): H 8.831 8.831 8.675 0.156 RESID 238 (V): N 129.900 129.900 122.612 7.288 RESID 238 (V): C 175.200 175.200 176.670 -1.470 RESID 238 (V): CA 61.840 61.840 65.162 -3.322 RESID 238 (V): CB 32.500 32.500 31.948 0.552 RESID 238 (V): H 7.376 7.376 8.430 -1.054 RESID 239 (Y): N 123.500 123.500 119.092 4.408 RESID 239 (Y): C 176.500 176.500 178.469 -1.969 RESID 239 (Y): CA 61.920 61.920 61.088 0.832 RESID 239 (Y): CB 38.010 38.010 37.783 0.227 RESID 239 (Y): H 8.314 8.314 7.917 0.397 RESID 240 (G): N 104.100 104.100 104.571 -0.471 RESID 240 (G): C 174.600 174.600 174.912 -0.312 RESID 240 (G): CA 45.930 45.930 45.330 0.600 RESID 240 (G): H 7.428 7.428 8.435 -1.007 N HA C CA CB H RESID 6 (P): ----- ----- -0.693 -0.620 -0.725 ----- RESID 7 (Q): -0.382 ----- -0.418 -0.649 -0.646 -0.300 RESID 8 (N): 1.911 ----- -0.287 -0.636 -1.363 -0.333 RESID 9 (I): -1.820 ----- -0.180 -0.635 -0.470 -0.712 RESID 10 (R): -0.918 ----- 0.789 -1.502 -0.502 0.708 RESID 11 (I): 3.300 ----- 0.345 0.167 -4.034 0.280 RESID 12 (G): 0.457 ----- -1.330 0.247 ----- 0.819 RESID 13 (T): -1.108 ----- 8.554 -0.554 -1.709 0.586 RESID 14 (D): -0.818 ----- 2.708 -0.531 -1.584 -0.495 RESID 15 (P): ----- ----- -1.080 -1.464 -4.497 ----- RESID 16 (T): 5.479 ----- 0.646 -2.482 -1.342 0.464 RESID 17 (Y): 3.940 ----- -0.456 -1.947 0.234 0.854 RESID 18 (A): 2.495 ----- -0.469 -4.563 -0.175 0.032 RESID 19 (P): ----- ----- -4.284 -2.340 0.198 ----- RESID 20 (F): 7.773 ----- 1.597 2.719 -3.065 -0.128 RESID 21 (E): -2.708 ----- -0.831 -0.811 -5.372 -0.781 RESID 22 (S): 4.090 ----- -0.779 -1.275 -1.218 0.441 RESID 23 (K): -1.874 ----- 2.590 -1.662 -1.809 0.004 RESID 24 (N): 1.605 ----- 1.045 -1.298 -1.887 0.055 RESID 25 (S): ----- ----- -0.021 0.010 -0.182 ----- RESID 26 (Q): -0.185 ----- -0.576 -0.412 -0.468 -0.371 RESID 27 (G): 1.239 ----- -0.278 0.068 ----- 0.358 RESID 28 (E): 1.633 ----- 0.248 -1.337 -0.975 -0.296 RESID 29 (L): 2.402 ----- 0.443 0.407 -1.867 -0.006 RESID 30 (V): -4.409 ----- 1.702 -1.797 0.119 0.989 RESID 31 (G): -0.650 ----- 0.882 -1.385 ----- 1.112 RESID 32 (F): -2.808 ----- 1.903 -0.301 -0.322 0.097 RESID 33 (D): -2.566 ----- 1.070 -0.384 -1.602 1.725 RESID 34 (I): -0.796 ----- 0.276 -3.791 -4.165 -1.186 RESID 35 (D): 0.635 ----- 1.619 -0.302 0.117 0.762 RESID 36 (L): -0.424 ----- 0.518 -0.108 0.669 1.286 RESID 37 (A): -1.625 ----- -0.926 -0.155 -1.090 0.740 RESID 38 (K): -2.870 ----- 0.932 0.480 -0.494 0.672 RESID 39 (E): 2.153 ----- -1.086 -0.907 -1.531 -0.111 RESID 40 (L): 1.112 ----- -0.147 0.208 -1.505 0.612 RESID 41 (C): -2.739 ----- -1.677 -0.368 21.411 -0.158 RESID 42 (K): -0.345 ----- 1.676 -0.638 -0.926 -0.587 RESID 43 (R): 1.493 ----- 0.027 0.300 -0.240 0.517 RESID 44 (I): -5.371 ----- -0.671 -1.970 -1.516 -0.672 RESID 45 (N): 3.269 ----- -0.463 -0.910 0.661 -0.252 RESID 46 (T): 7.156 ----- 0.291 -0.289 -1.331 -0.004 RESID 47 (Q): 3.534 ----- 0.818 -0.523 -1.857 -0.267 RESID 48 (C): -0.610 ----- -0.596 -4.716 18.016 0.200 RESID 49 (T): -2.042 ----- 0.161 -1.039 -0.033 -0.510 RESID 50 (F): -2.166 ----- -0.136 0.046 0.420 0.358 RESID 51 (V): 2.596 ----- -0.031 -0.003 -1.711 0.182 RESID 52 (E): -2.040 ----- 1.653 -2.784 -1.050 -0.153 RESID 53 (N): 6.406 ----- -1.818 -0.224 5.625 0.678 RESID 54 (P): ----- ----- -0.144 -0.754 -1.492 ----- RESID 55 (L): 0.219 ----- 0.876 -1.119 0.042 0.407 RESID 56 (D): -3.616 ----- -0.832 -0.788 -0.531 0.110 RESID 57 (A): 0.478 ----- 1.038 -2.199 -0.457 -0.209 RESID 58 (L): 1.169 ----- -0.966 0.862 -1.770 -0.293 RESID 59 (I): 0.055 ----- 1.282 1.625 -0.708 1.355 RESID 60 (P): ----- ----- 0.861 -0.656 -1.275 ----- RESID 61 (S): -0.057 ----- -1.186 0.312 ----- -0.299 RESID 62 (L): 3.061 ----- 2.041 -0.304 0.053 0.105 RESID 63 (K): 1.956 ----- 0.057 0.321 -1.698 0.653 RESID 64 (A): 0.027 ----- -0.477 -0.284 -0.421 -0.272 RESID 65 (K): -1.841 ----- -0.462 -0.183 -2.174 0.067 RESID 66 (K): 2.895 ----- -0.531 -1.260 -0.842 0.645 RESID 67 (I): -5.087 ----- -1.396 -0.009 -0.545 -0.204 RESID 68 (D): -3.169 ----- -3.590 0.184 1.673 1.245 RESID 69 (A): -0.723 ----- 1.054 -1.022 -0.207 -0.030 RESID 70 (I): -0.422 ----- 0.042 -0.583 0.269 1.343 RESID 71 (M): -1.215 ----- -1.243 -1.970 -0.115 0.212 RESID 72 (S): 2.578 ----- -1.251 1.153 -0.620 0.146 RESID 73 (S): 5.026 ----- 0.117 -0.956 0.119 -0.051 RESID 74 (L): -3.253 ----- -0.679 -1.261 -0.469 1.249 RESID 75 (S): 2.198 ----- 0.804 2.240 -1.623 0.273 RESID 76 (I): 9.368 ----- 0.926 1.746 -3.833 0.051 RESID 77 (T): 3.008 ----- -0.277 -2.204 -0.742 -1.021 RESID 78 (E): -0.400 ----- 1.622 -1.726 -0.638 0.026 RESID 79 (K): 0.042 ----- 1.565 -0.303 -0.687 0.057 RESID 80 (R): -0.340 ----- 0.138 0.360 0.311 0.276 RESID 81 (Q): -0.792 ----- -2.266 -1.638 0.337 0.107 RESID 82 (Q): -1.916 ----- -0.253 -1.092 -0.527 -0.617 RESID 83 (E): -1.514 ----- -0.838 -1.247 1.659 -0.260 RESID 84 (I): 3.255 ----- -1.318 0.470 -0.688 0.293 RESID 85 (A): 0.209 ----- -0.235 -1.109 0.845 0.261 RESID 86 (F): -3.547 ----- 2.937 -0.945 0.256 -0.328 RESID 87 (T): -6.678 ----- 0.905 0.829 2.629 -0.455 RESID 88 (D): -1.647 ----- -0.658 -0.736 1.101 0.023 RESID 89 (K): 1.902 ----- -0.808 -1.628 0.223 0.050 RESID 90 (L): -0.753 ----- 0.339 -2.710 -1.363 0.258 RESID 91 (Y): -0.733 ----- -0.706 -0.124 -2.691 -0.440 RESID 92 (A): 0.681 ----- -1.068 0.890 0.753 -0.949 RESID 93 (A): -0.767 ----- -0.935 0.410 -0.005 0.402 RESID 94 (D): 1.332 ----- -0.830 -1.252 -0.215 0.760 RESID 95 (S): -1.877 ----- -1.465 0.444 -0.083 -1.038 RESID 96 (R): 4.530 ----- -0.162 1.555 -0.284 0.399 RESID 97 (L): -1.046 ----- 1.666 0.356 -1.750 1.314 RESID 98 (V): 1.256 ----- 0.658 0.897 0.605 1.502 RESID 99 (V): -3.861 ----- 0.638 -0.657 1.016 1.039 RESID 100 (A): 0.760 ----- 0.804 1.971 -1.905 0.617 RESID 101 (K): -4.044 ----- -0.208 0.382 -0.481 -1.069 RESID 102 (N): -1.172 ----- 0.258 -2.291 -1.622 -0.227 RESID 103 (S): 0.131 ----- 2.734 0.704 0.412 0.063 RESID 104 (D): -0.814 ----- 1.718 -0.969 -0.611 -0.000 RESID 105 (I): -1.203 ----- -0.706 3.199 -2.979 -0.346 RESID 106 (Q): -0.585 ----- 0.686 -0.669 2.026 -0.205 RESID 107 (P): ----- ----- -0.476 -1.790 -3.901 ----- RESID 108 (T): -3.110 ----- -0.395 -3.888 -1.095 0.790 RESID 109 (V): -1.807 ----- 0.365 0.811 -2.191 0.285 RESID 110 (E): -3.887 ----- -0.258 -0.875 -0.876 0.031 RESID 111 (S): -0.241 ----- 0.577 -1.618 1.210 -1.047 RESID 112 (L): -4.309 ----- 0.014 -0.797 0.091 0.352 RESID 113 (K): 1.778 ----- 0.709 0.613 -1.386 -0.290 RESID 114 (G): 0.954 ----- -0.605 -0.100 ----- 0.104 RESID 115 (K): -1.172 ----- -1.319 -1.080 -1.275 0.645 RESID 116 (R): -1.501 ----- 0.302 -0.954 0.537 1.055 RESID 117 (V): 3.108 ----- 0.583 -0.101 -2.346 0.634 RESID 118 (G): 0.622 ----- -0.262 1.490 ----- 1.338 RESID 119 (V): -5.729 ----- 0.098 -2.181 -0.637 -0.149 RESID 120 (L): 0.298 ----- 1.224 -0.254 -1.513 0.125 RESID 121 (Q): 0.878 ----- -0.355 -0.383 -1.608 0.305 RESID 122 (G): 0.015 ----- 1.552 -0.226 ----- 0.562 RESID 123 (T): -1.689 ----- 2.371 0.282 2.847 -0.511 RESID 124 (T): 1.369 ----- 1.581 -0.641 -0.982 0.266 RESID 125 (Q): -1.824 ----- 0.221 1.900 -2.742 -0.751 RESID 126 (E): 2.113 ----- -1.294 -0.198 -0.906 -0.095 RESID 127 (T): 1.590 ----- -0.147 -0.505 -1.145 0.563 RESID 128 (F): -0.050 ----- 0.475 0.894 -0.118 0.307 RESID 129 (G): -0.134 ----- -0.370 -0.532 ----- -0.253 RESID 130 (N): 4.568 ----- 0.374 0.070 -0.627 0.370 RESID 131 (E): 2.260 ----- 0.807 1.235 -1.411 0.422 RESID 132 (H): -6.044 ----- 0.345 -1.868 0.707 0.001 RESID 133 (W): 1.861 ----- 0.619 -0.969 0.654 0.148 RESID 134 (A): 0.755 ----- 0.484 0.772 -0.812 1.172 RESID 135 (P): ----- ----- -0.183 0.324 -0.190 ----- RESID 136 (K): -0.436 ----- -1.143 -2.402 -0.631 -0.457 RESID 137 (G): -2.263 ----- 0.760 0.369 ----- 0.194 RESID 138 (I): 5.009 ----- -0.381 0.350 -1.742 -0.589 RESID 139 (E): 1.146 ----- -1.197 0.444 -1.714 -0.110 RESID 140 (I): 7.857 ----- 1.356 -1.913 -6.175 0.288 RESID 141 (V): 7.870 ----- -0.047 -0.086 -3.883 0.310 RESID 142 (S): 2.660 ----- 1.395 0.638 -0.158 0.131 RESID 143 (Y): -2.515 ----- -0.527 -0.363 0.919 -0.347 RESID 144 (Q): -0.238 ----- 1.031 0.584 -1.450 0.242 RESID 145 (G): -0.520 ----- -0.666 0.006 ----- -0.330 RESID 146 (Q): 1.412 ----- -0.158 -1.018 -0.446 0.085 RESID 147 (D): -0.524 ----- 0.422 -0.213 -0.855 -0.039 RESID 148 (N): -0.253 ----- -0.566 -0.448 0.609 -1.057 RESID 149 (I): 0.261 ----- -0.165 -0.614 -1.694 -0.295 RESID 150 (Y): -0.815 ----- 0.748 -1.921 -1.669 -0.492 RESID 151 (S): 2.075 ----- -0.009 -0.385 -0.123 -0.083 RESID 152 (D): -0.870 ----- 0.672 -0.288 -2.134 -0.179 RESID 153 (L): 2.938 ----- 1.759 0.616 -0.199 0.515 RESID 154 (T): -1.635 ----- 1.347 -1.521 -0.309 0.076 RESID 155 (A): 1.736 ----- 0.163 -0.667 -0.387 0.378 RESID 156 (G): 0.711 ----- -0.269 0.248 ----- -0.095 RESID 157 (R): -0.226 ----- 0.878 -0.381 -0.364 0.320 RESID 158 (I): -3.917 ----- -0.602 0.691 -0.995 -0.007 RESID 159 (D): -4.720 ----- -0.960 -0.416 1.915 0.175 RESID 160 (A): -0.036 ----- 0.580 -1.292 1.680 0.536 RESID 161 (A): 1.618 ----- -0.199 -0.536 -0.506 0.917 RESID 162 (F): 2.525 ----- -2.099 -3.734 0.580 0.540 RESID 163 (Q): 1.229 ----- -0.302 -0.091 1.235 -0.425 RESID 164 (D): 1.073 ----- -1.461 1.030 0.306 -0.149 RESID 165 (E): 5.707 ----- -0.429 0.086 0.183 -0.178 RESID 166 (V): 1.249 ----- 0.997 0.081 -0.221 0.526 RESID 167 (A): 3.134 ----- 3.406 0.264 -0.147 0.700 RESID 168 (A): -0.868 ----- 0.077 -0.378 0.314 0.464 RESID 169 (S): -1.047 ----- -0.496 -1.521 0.380 -0.072 RESID 170 (E): -4.813 ----- 1.385 -0.496 0.743 0.981 RESID 171 (G): -1.573 ----- -1.309 -0.306 ----- 0.819 RESID 172 (F): -2.394 ----- -2.503 -0.472 1.638 -1.061 RESID 173 (L): 0.007 ----- 0.702 0.808 -1.841 0.937 RESID 174 (K): -1.830 ----- 0.459 -0.863 -0.894 0.354 RESID 175 (Q): 1.947 ----- 1.996 0.212 -3.156 -0.117 RESID 176 (P): ----- ----- 1.838 0.711 -0.872 ----- RESID 177 (V): -4.718 ----- -2.061 -3.215 0.035 -0.312 RESID 178 (G): 3.941 ----- 0.527 -2.368 ----- -0.343 RESID 179 (K): 1.751 ----- -0.260 -0.088 -0.812 -0.224 RESID 180 (D): 0.081 ----- -1.946 -1.963 -1.575 0.486 RESID 181 (Y): 5.519 ----- -1.174 0.198 -0.443 0.366 RESID 182 (K): -1.821 ----- 0.621 -2.122 2.282 0.658 RESID 183 (F): -3.183 ----- 2.664 -1.111 -4.650 0.344 RESID 184 (G): 4.714 ----- -1.563 1.984 ----- 0.288 RESID 185 (G): 2.198 ----- -1.758 -0.902 ----- -0.550 RESID 186 (P): ----- ----- -0.691 -2.517 0.754 ----- RESID 187 (S): -6.514 ----- -0.333 0.474 -2.417 0.138 RESID 188 (V): 1.541 ----- 0.273 -0.505 -2.014 1.226 RESID 189 (K): 2.726 ----- 2.615 -1.500 -0.948 -0.020 RESID 190 (D): -1.785 ----- -1.578 2.165 2.191 0.533 RESID 191 (E): 2.530 ----- -0.250 0.875 -1.106 0.399 RESID 192 (K): -1.254 ----- 0.153 -0.783 -0.446 -0.846 RESID 193 (L): 0.243 ----- -0.014 -1.176 0.268 1.231 RESID 194 (F): 3.348 ----- 2.377 -2.644 -2.360 0.746 RESID 195 (G): -1.975 ----- 0.334 -0.914 ----- -0.172 RESID 196 (V): -11.237 ----- -0.698 -3.524 -1.545 -0.228 RESID 197 (G): 2.790 ----- 0.293 -2.047 ----- 0.549 RESID 198 (T): -4.537 ----- -0.427 -0.268 -0.214 -0.148 RESID 199 (G): -4.697 ----- -0.789 -1.509 ----- 0.091 RESID 200 (M): 1.651 ----- 0.205 0.054 -1.747 -0.529 RESID 201 (G): 1.647 ----- -0.801 0.146 ----- 0.439 RESID 202 (L): -0.265 ----- 0.051 0.901 0.061 0.123 RESID 203 (R): 1.467 ----- 2.491 1.685 -1.645 2.142 RESID 204 (K): -1.194 ----- 0.526 -0.102 -0.310 0.561 RESID 205 (E): -3.347 ----- -0.203 -0.996 -1.134 0.802 RESID 206 (D): 5.104 ----- 0.790 0.039 -1.155 -0.771 RESID 207 (N): -0.333 ----- -0.117 0.518 -0.074 -0.891 RESID 208 (E): 1.556 ----- 1.444 0.905 -1.822 0.448 RESID 209 (L): 2.437 ----- -1.111 -0.124 -1.165 0.515 RESID 210 (R): 0.327 ----- -0.801 0.206 0.086 -0.751 RESID 211 (E): -3.044 ----- 1.272 -0.109 -0.986 0.537 RESID 212 (A): 0.799 ----- 1.654 0.086 -0.963 0.510 RESID 213 (L): 1.567 ----- -1.231 -0.477 0.252 0.286 RESID 214 (N): 2.739 ----- 1.862 -0.617 -0.810 0.080 RESID 215 (K): 2.447 ----- -0.123 -0.314 -0.743 -0.364 RESID 216 (A): 0.442 ----- -0.019 -0.739 0.432 -0.328 RESID 217 (F): -0.658 ----- 0.217 1.160 -1.054 0.593 RESID 218 (A): 0.070 ----- 2.439 -0.415 -1.326 -0.242 RESID 219 (E): 0.959 ----- -0.414 -0.298 -1.158 0.088 RESID 220 (M): 2.635 ----- 0.338 -1.996 0.123 0.103 RESID 221 (R): 0.792 ----- 0.314 -0.414 -2.400 0.244 RESID 222 (A): 0.496 ----- 0.336 -0.403 -0.578 0.050 RESID 223 (D): 0.332 ----- 0.655 -0.161 -0.725 0.031 RESID 224 (G): -1.595 ----- -0.063 -1.243 ----- -0.231 RESID 225 (T): 5.267 ----- 0.437 -0.467 -1.947 -0.229 RESID 226 (Y): -0.190 ----- -0.918 0.247 0.085 0.391 RESID 227 (E): -0.482 ----- -0.492 -0.529 -0.322 -0.447 RESID 228 (K): -1.336 ----- 0.445 -0.228 -0.899 -0.816 RESID 229 (L): -0.291 ----- 0.495 -0.741 -0.359 -0.050 RESID 230 (A): -0.892 ----- 1.280 -0.630 -0.151 0.571 RESID 231 (K): -0.746 ----- -0.423 -1.393 -1.016 0.012 RESID 232 (K): 0.913 ----- -2.380 -0.735 -1.393 -0.378 RESID 233 (Y): -3.012 ----- -0.635 -3.063 0.496 -0.959 RESID 234 (F): 3.046 ----- 2.373 -1.860 -1.526 -0.116 RESID 235 (D): 2.307 ----- -0.602 -0.757 0.116 0.248 RESID 236 (F): -6.612 ----- 0.040 -2.369 0.056 -0.643 RESID 237 (D): -2.317 ----- -1.392 0.290 -2.820 0.156 RESID 238 (V): 7.288 ----- -1.470 -3.322 0.552 -1.054 RESID 239 (Y): 4.408 ----- -1.969 0.832 0.227 0.397 RESID 240 (G): -0.471 ----- -0.312 0.600 ----- -1.007 DATA CS_STAT_INFO N RMS: 2.909 ppm Count: 226 Average Difference: -0.184 +/- 2.909 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.285 ppm Count: 236 Average Difference: -0.117 +/- 1.282 ppm DATA CS_STAT_INFO CA RMS: 1.329 ppm Count: 236 Average Difference: 0.527 +/- 1.223 ppm DATA CS_STAT_INFO CB RMS: 2.463 ppm Count: 215 Average Difference: 0.514 +/- 2.414 ppm DATA CS_STAT_INFO HN RMS: 0.588 ppm Count: 226 Average Difference: -0.121 +/- 0.577 ppm ############################################################################ For conformer 2: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.307 -0.007 RESID 5 (I): C 174.300 174.300 174.349 -0.049 RESID 5 (I): CA 57.710 57.710 59.821 -2.111 RESID 5 (I): CB 37.260 37.260 37.768 -0.508 RESID 5 (I): H 7.868 7.868 8.226 -0.357 RESID 6 (P): C 176.100 176.100 176.823 -0.723 RESID 6 (P): CA 62.180 62.180 62.803 -0.623 RESID 6 (P): CB 31.620 31.620 32.348 -0.728 RESID 7 (Q): N 119.200 119.200 119.587 -0.387 RESID 7 (Q): C 175.600 175.600 176.039 -0.439 RESID 7 (Q): CA 57.190 57.190 57.833 -0.643 RESID 7 (Q): CB 28.500 28.500 29.136 -0.636 RESID 7 (Q): H 8.380 8.380 8.687 -0.307 RESID 8 (N): N 116.300 116.300 114.283 2.017 RESID 8 (N): C 173.600 173.600 173.869 -0.269 RESID 8 (N): CA 51.720 51.720 52.362 -0.642 RESID 8 (N): CB 40.540 40.540 41.967 -1.427 RESID 8 (N): H 7.472 7.472 7.810 -0.338 RESID 9 (I): N 121.000 121.000 122.624 -1.624 RESID 9 (I): C 174.700 174.700 174.910 -0.210 RESID 9 (I): CA 59.480 59.480 60.071 -0.591 RESID 9 (I): CB 39.740 39.740 40.318 -0.577 RESID 9 (I): H 8.416 8.416 9.144 -0.728 RESID 10 (R): N 126.500 126.500 127.105 -0.605 RESID 10 (R): C 175.800 175.800 175.473 0.327 RESID 10 (R): CA 53.950 53.950 55.352 -1.402 RESID 10 (R): CB 30.670 30.670 31.308 -0.638 RESID 10 (R): H 9.098 9.098 8.480 0.618 RESID 11 (I): N 127.500 127.500 124.974 2.526 RESID 11 (I): C 175.600 175.600 175.119 0.481 RESID 11 (I): CA 59.480 59.480 59.436 0.044 RESID 11 (I): CB 37.460 37.460 41.545 -4.085 RESID 11 (I): H 9.279 9.279 9.084 0.195 RESID 12 (G): N 114.800 114.800 114.373 0.427 RESID 12 (G): C 171.700 171.700 173.028 -1.328 RESID 12 (G): CA 44.540 44.540 44.299 0.241 RESID 12 (G): H 9.382 9.382 8.542 0.840 RESID 13 (T): N 120.600 120.600 121.652 -1.052 RESID 13 (T): C 181.600 181.600 173.078 8.522 RESID 13 (T): CA 61.470 61.470 62.082 -0.612 RESID 13 (T): CB 69.970 69.970 71.712 -1.742 RESID 13 (T): H 8.594 8.594 7.972 0.622 RESID 14 (D): N 127.000 127.000 127.836 -0.836 RESID 14 (D): C 177.500 177.500 174.734 2.766 RESID 14 (D): CA 49.760 49.760 50.311 -0.551 RESID 14 (D): CB 40.580 40.580 42.334 -1.754 RESID 14 (D): H 8.200 8.200 8.694 -0.494 RESID 15 (P): C 175.400 175.400 176.395 -0.995 RESID 15 (P): CA 61.920 61.920 63.333 -1.413 RESID 15 (P): CB 27.890 27.890 32.392 -4.502 RESID 16 (T): N 116.200 116.200 110.709 5.491 RESID 16 (T): C 174.000 174.000 173.206 0.794 RESID 16 (T): CA 59.560 59.560 62.035 -2.475 RESID 16 (T): CB 68.650 68.650 69.767 -1.117 RESID 16 (T): H 8.739 8.739 8.281 0.458 RESID 17 (Y): N 125.800 125.800 121.878 3.922 RESID 17 (Y): C 175.200 175.200 175.645 -0.445 RESID 17 (Y): CA 54.180 54.180 56.118 -1.938 RESID 17 (Y): CB 38.700 38.700 38.466 0.234 RESID 17 (Y): H 8.943 8.943 8.043 0.900 RESID 18 (A): N 132.100 132.100 129.662 2.438 RESID 18 (A): C 176.000 176.000 176.464 -0.464 RESID 18 (A): CA 51.490 51.490 56.071 -4.581 RESID 18 (A): CB 16.070 16.070 16.261 -0.191 RESID 18 (A): H 8.945 8.945 8.926 0.019 RESID 19 (P): C 173.500 173.500 177.810 -4.310 RESID 19 (P): CA 62.890 62.890 65.230 -2.340 RESID 19 (P): CB 31.790 31.790 31.602 0.188 RESID 20 (F): N 125.100 125.100 117.409 7.691 RESID 20 (F): C 176.700 176.700 175.097 1.603 RESID 20 (F): CA 62.420 62.420 59.697 2.723 RESID 20 (F): CB 37.980 37.980 41.058 -3.078 RESID 20 (F): H 8.117 8.117 8.260 -0.143 RESID 21 (E): N 111.800 111.800 114.553 -2.753 RESID 21 (E): C 173.600 173.600 174.437 -0.837 RESID 21 (E): CA 54.400 54.400 55.195 -0.795 RESID 21 (E): CB 28.770 28.770 34.157 -5.387 RESID 21 (E): H 7.701 7.701 8.463 -0.762 RESID 22 (S): N 117.200 117.200 113.081 4.119 RESID 22 (S): C 171.500 171.500 172.278 -0.778 RESID 22 (S): CA 57.290 57.290 58.585 -1.295 RESID 22 (S): CB 62.940 62.940 64.130 -1.190 RESID 22 (S): H 8.750 8.750 8.294 0.456 RESID 23 (K): N 117.400 117.400 119.439 -2.039 RESID 23 (K): C 177.600 177.600 175.073 2.527 RESID 23 (K): CA 53.700 53.700 55.331 -1.631 RESID 23 (K): CB 33.330 33.330 35.141 -1.811 RESID 23 (K): H 8.238 8.238 8.231 0.007 RESID 24 (N): N 122.400 122.400 120.846 1.554 RESID 24 (N): C 178.000 178.000 177.112 0.888 RESID 24 (N): CA 50.600 50.600 51.758 -1.158 RESID 24 (N): CB 38.140 38.140 40.064 -1.924 RESID 24 (N): H 8.584 8.584 8.558 0.026 RESID 25 (S): C 175.400 175.400 175.233 0.167 RESID 25 (S): CA 60.970 60.970 60.999 -0.029 RESID 25 (S): CB 62.410 62.410 62.596 -0.186 RESID 26 (Q): N 119.300 119.300 119.570 -0.270 RESID 26 (Q): C 176.200 176.200 176.726 -0.526 RESID 26 (Q): CA 55.180 55.180 55.579 -0.399 RESID 26 (Q): CB 28.260 28.260 28.688 -0.427 RESID 26 (Q): H 7.520 7.520 7.990 -0.470 RESID 27 (G): N 108.800 108.800 107.661 1.139 RESID 27 (G): C 173.700 173.700 174.067 -0.367 RESID 27 (G): CA 45.050 45.050 45.081 -0.031 RESID 27 (G): H 8.169 8.169 7.837 0.332 RESID 28 (E): N 121.200 121.200 120.681 0.519 RESID 28 (E): C 175.800 175.800 175.673 0.127 RESID 28 (E): CA 54.490 54.490 55.959 -1.469 RESID 28 (E): CB 29.750 29.750 30.589 -0.839 RESID 28 (E): H 7.836 7.836 8.056 -0.220 RESID 29 (L): N 123.500 123.500 121.136 2.364 RESID 29 (L): C 176.400 176.400 176.000 0.400 RESID 29 (L): CA 54.310 54.310 53.696 0.614 RESID 29 (L): CB 41.180 41.180 42.860 -1.680 RESID 29 (L): H 8.281 8.281 8.334 -0.053 RESID 30 (V): N 118.200 118.200 122.564 -4.364 RESID 30 (V): C 175.300 175.300 173.460 1.840 RESID 30 (V): CA 58.360 58.360 60.112 -1.752 RESID 30 (V): CB 36.080 36.080 35.885 0.195 RESID 30 (V): H 8.900 8.900 7.762 1.138 RESID 31 (G): N 109.800 109.800 110.020 -0.220 RESID 31 (G): C 174.400 174.400 173.472 0.928 RESID 31 (G): CA 43.830 43.830 45.155 -1.325 RESID 31 (G): H 8.611 8.611 7.522 1.089 RESID 32 (F): N 119.900 119.900 122.517 -2.617 RESID 32 (F): C 177.900 177.900 175.864 2.036 RESID 32 (F): CA 59.800 59.800 60.687 -0.887 RESID 32 (F): CB 38.950 38.950 39.273 -0.323 RESID 32 (F): H 8.295 8.295 8.125 0.170 RESID 33 (D): N 116.500 116.500 119.131 -2.631 RESID 33 (D): C 179.100 179.100 178.060 1.040 RESID 33 (D): CA 56.180 56.180 56.587 -0.407 RESID 33 (D): CB 38.610 38.610 40.273 -1.663 RESID 33 (D): H 8.935 8.935 7.354 1.581 RESID 34 (I): N 118.800 118.800 119.765 -0.965 RESID 34 (I): C 178.000 178.000 177.783 0.217 RESID 34 (I): CA 60.950 60.950 64.776 -3.826 RESID 34 (I): CB 33.620 33.620 37.835 -4.215 RESID 34 (I): H 6.535 6.535 7.727 -1.192 RESID 35 (D): N 121.000 121.000 120.316 0.684 RESID 35 (D): C 180.300 180.300 178.678 1.622 RESID 35 (D): CA 57.100 57.100 57.402 -0.302 RESID 35 (D): CB 40.420 40.420 40.287 0.133 RESID 35 (D): H 8.536 8.536 7.800 0.736 RESID 36 (L): N 120.500 120.500 120.850 -0.350 RESID 36 (L): C 178.500 178.500 177.995 0.505 RESID 36 (L): CA 57.720 57.720 57.790 -0.070 RESID 36 (L): CB 42.230 42.230 41.583 0.647 RESID 36 (L): H 8.508 8.508 7.229 1.279 RESID 37 (A): N 120.200 120.200 121.587 -1.387 RESID 37 (A): C 178.600 178.600 179.589 -0.989 RESID 37 (A): CA 55.170 55.170 55.222 -0.052 RESID 37 (A): CB 17.340 17.340 18.467 -1.127 RESID 37 (A): H 8.383 8.383 7.669 0.714 RESID 38 (K): N 116.400 116.400 119.388 -2.988 RESID 38 (K): C 180.100 180.100 179.117 0.983 RESID 38 (K): CA 60.530 60.530 60.017 0.513 RESID 38 (K): CB 31.840 31.840 32.394 -0.554 RESID 38 (K): H 8.780 8.780 8.172 0.608 RESID 39 (E): N 121.500 121.500 119.504 1.996 RESID 39 (E): C 178.300 178.300 179.366 -1.066 RESID 39 (E): CA 58.430 58.430 59.331 -0.901 RESID 39 (E): CB 27.990 27.990 29.502 -1.512 RESID 39 (E): H 7.692 7.692 7.786 -0.094 RESID 40 (L): N 121.500 121.500 120.409 1.091 RESID 40 (L): C 178.700 178.700 178.806 -0.106 RESID 40 (L): CA 58.490 58.490 58.289 0.201 RESID 40 (L): CB 40.250 40.250 41.760 -1.510 RESID 40 (L): H 8.563 8.563 7.842 0.721 RESID 41 (C): N 115.700 115.700 118.385 -2.685 RESID 41 (C): C 175.800 175.800 177.464 -1.664 RESID 41 (C): CA 62.390 62.390 62.740 -0.351 RESID 41 (C): CB 46.860 46.860 25.464 21.396 RESID 41 (C): H 8.598 8.598 8.533 0.065 RESID 42 (K): N 119.300 119.300 119.620 -0.320 RESID 42 (K): C 180.800 180.800 179.118 1.682 RESID 42 (K): CA 58.810 58.810 59.442 -0.632 RESID 42 (K): CB 31.430 31.430 32.351 -0.921 RESID 42 (K): H 7.490 7.490 8.026 -0.536 RESID 43 (R): N 119.500 119.500 117.956 1.544 RESID 43 (R): C 178.700 178.700 178.665 0.035 RESID 43 (R): CA 58.760 58.760 58.452 0.308 RESID 43 (R): CB 29.980 29.980 30.224 -0.243 RESID 43 (R): H 8.057 8.057 7.632 0.425 RESID 44 (I): N 111.800 111.800 117.574 -5.774 RESID 44 (I): C 175.000 175.000 175.836 -0.836 RESID 44 (I): CA 60.940 60.940 63.083 -2.143 RESID 44 (I): CB 36.630 36.630 38.192 -1.562 RESID 44 (I): H 7.765 7.765 8.412 -0.647 RESID 45 (N): N 118.800 118.800 115.683 3.117 RESID 45 (N): C 173.600 173.600 173.949 -0.349 RESID 45 (N): CA 53.670 53.670 54.626 -0.956 RESID 45 (N): CB 36.620 36.620 35.911 0.709 RESID 45 (N): H 7.752 7.752 8.056 -0.304 RESID 46 (T): N 112.800 112.800 105.767 7.033 RESID 46 (T): C 173.100 173.100 172.843 0.257 RESID 46 (T): CA 60.020 60.020 60.268 -0.248 RESID 46 (T): CB 70.500 70.500 71.877 -1.377 RESID 46 (T): H 7.920 7.920 7.913 0.007 RESID 47 (Q): N 123.500 123.500 120.021 3.479 RESID 47 (Q): C 175.400 175.400 174.573 0.827 RESID 47 (Q): CA 54.550 54.550 55.106 -0.556 RESID 47 (Q): CB 28.670 28.670 30.456 -1.786 RESID 47 (Q): H 8.037 8.037 8.362 -0.325 RESID 48 (C): N 123.800 123.800 124.501 -0.701 RESID 48 (C): C 173.800 173.800 174.389 -0.589 RESID 48 (C): CA 53.170 53.170 57.903 -4.733 RESID 48 (C): CB 47.290 47.290 29.344 17.946 RESID 48 (C): H 8.881 8.881 8.689 0.192 RESID 49 (T): N 118.600 118.600 120.537 -1.937 RESID 49 (T): C 172.700 172.700 172.554 0.146 RESID 49 (T): CA 60.210 60.210 61.254 -1.044 RESID 49 (T): CB 70.980 70.980 71.062 -0.082 RESID 49 (T): H 8.324 8.324 8.811 -0.487 RESID 50 (F): N 123.800 123.800 125.962 -2.162 RESID 50 (F): C 175.800 175.800 175.948 -0.148 RESID 50 (F): CA 57.370 57.370 57.370 -0.000 RESID 50 (F): CB 40.730 40.730 40.281 0.449 RESID 50 (F): H 8.982 8.982 8.632 0.350 RESID 51 (V): N 126.300 126.300 123.759 2.541 RESID 51 (V): C 174.700 174.700 174.729 -0.029 RESID 51 (V): CA 60.650 60.650 60.662 -0.012 RESID 51 (V): CB 33.700 33.700 35.396 -1.696 RESID 51 (V): H 9.271 9.271 9.084 0.187 RESID 52 (E): N 126.900 126.900 128.951 -2.051 RESID 52 (E): C 176.900 176.900 175.241 1.659 RESID 52 (E): CA 54.480 54.480 57.256 -2.776 RESID 52 (E): CB 29.350 29.350 30.406 -1.056 RESID 52 (E): H 8.617 8.617 8.770 -0.153 RESID 53 (N): N 127.100 127.100 120.727 6.373 RESID 53 (N): C 170.600 170.600 172.412 -1.812 RESID 53 (N): CA 51.220 51.220 51.437 -0.217 RESID 53 (N): CB 43.980 43.980 38.336 5.644 RESID 53 (N): H 8.917 8.917 8.235 0.682 RESID 54 (P): C 178.600 178.600 178.758 -0.158 RESID 54 (P): CA 61.650 61.650 62.356 -0.706 RESID 54 (P): CB 31.460 31.460 32.893 -1.433 RESID 55 (L): N 124.200 124.200 124.123 0.077 RESID 55 (L): C 179.600 179.600 178.722 0.878 RESID 55 (L): CA 58.130 58.130 59.224 -1.094 RESID 55 (L): CB 41.470 41.470 41.388 0.082 RESID 55 (L): H 9.096 9.096 8.777 0.319 RESID 56 (D): N 115.400 115.400 118.993 -3.593 RESID 56 (D): C 176.500 176.500 177.318 -0.818 RESID 56 (D): CA 56.080 56.080 56.861 -0.781 RESID 56 (D): CB 39.640 39.640 40.181 -0.541 RESID 56 (D): H 8.651 8.651 8.537 0.114 RESID 57 (A): N 120.400 120.400 119.902 0.498 RESID 57 (A): C 180.000 180.000 178.959 1.041 RESID 57 (A): CA 51.440 51.440 53.603 -2.163 RESID 57 (A): CB 19.170 19.170 19.643 -0.473 RESID 57 (A): H 8.079 8.079 8.302 -0.223 RESID 58 (L): N 122.300 122.300 121.164 1.136 RESID 58 (L): C 177.800 177.800 178.768 -0.968 RESID 58 (L): CA 58.960 58.960 58.112 0.848 RESID 58 (L): CB 40.150 40.150 41.923 -1.773 RESID 58 (L): H 7.783 7.783 8.103 -0.320 RESID 59 (I): N 119.600 119.600 119.498 0.102 RESID 59 (I): C 176.400 176.400 175.118 1.282 RESID 59 (I): CA 68.170 68.170 66.523 1.647 RESID 59 (I): CB 33.980 33.980 34.705 -0.725 RESID 59 (I): H 9.094 9.094 7.711 1.383 RESID 60 (P): C 180.100 180.100 179.221 0.879 RESID 60 (P): CA 65.890 65.890 66.538 -0.648 RESID 60 (P): CB 29.980 29.980 31.254 -1.274 RESID 61 (S): N 114.800 114.800 114.881 -0.081 RESID 61 (S): C 175.500 175.500 176.666 -1.166 RESID 61 (S): CA 62.170 62.170 61.918 0.252 RESID 61 (S): H 7.865 7.865 8.194 -0.329 RESID 62 (L): N 126.200 126.200 123.128 3.072 RESID 62 (L): C 181.000 181.000 178.968 2.032 RESID 62 (L): CA 57.400 57.400 57.699 -0.298 RESID 62 (L): CB 41.820 41.820 41.767 0.053 RESID 62 (L): H 8.296 8.296 8.052 0.244 RESID 63 (K): N 121.000 121.000 119.073 1.927 RESID 63 (K): C 178.000 178.000 177.919 0.081 RESID 63 (K): CA 59.500 59.500 59.178 0.322 RESID 63 (K): CB 30.770 30.770 32.473 -1.703 RESID 63 (K): H 8.461 8.461 7.797 0.664 RESID 64 (A): N 118.700 118.700 118.671 0.029 RESID 64 (A): C 176.200 176.200 176.678 -0.478 RESID 64 (A): CA 51.680 51.680 51.985 -0.305 RESID 64 (A): CB 18.140 18.140 18.587 -0.447 RESID 64 (A): H 7.686 7.686 7.979 -0.293 RESID 65 (K): N 112.200 112.200 113.988 -1.788 RESID 65 (K): C 176.000 176.000 176.482 -0.482 RESID 65 (K): CA 57.800 57.800 57.994 -0.194 RESID 65 (K): CB 27.730 27.730 29.910 -2.179 RESID 65 (K): H 7.751 7.751 7.694 0.057 RESID 66 (K): N 118.300 118.300 115.434 2.866 RESID 66 (K): C 176.600 176.600 177.130 -0.530 RESID 66 (K): CA 57.200 57.200 58.470 -1.270 RESID 66 (K): CB 32.170 32.170 33.008 -0.838 RESID 66 (K): H 8.415 8.415 7.780 0.635 RESID 67 (I): N 107.500 107.500 112.520 -5.020 RESID 67 (I): C 174.000 174.000 175.402 -1.402 RESID 67 (I): CA 59.050 59.050 59.048 0.001 RESID 67 (I): CB 40.470 40.470 41.033 -0.563 RESID 67 (I): H 7.034 7.034 7.244 -0.210 RESID 68 (D): N 119.000 119.000 122.048 -3.048 RESID 68 (D): C 172.200 172.200 175.778 -3.578 RESID 68 (D): CA 55.560 55.560 55.397 0.163 RESID 68 (D): CB 44.210 44.210 42.583 1.627 RESID 68 (D): H 9.739 9.739 8.572 1.167 RESID 69 (A): N 117.400 117.400 118.148 -0.748 RESID 69 (A): C 175.900 175.900 174.850 1.050 RESID 69 (A): CA 50.120 50.120 51.153 -1.033 RESID 69 (A): CB 21.960 21.960 22.155 -0.195 RESID 69 (A): H 7.660 7.660 7.640 0.020 RESID 70 (I): N 120.500 120.500 120.845 -0.345 RESID 70 (I): C 174.500 174.500 174.432 0.068 RESID 70 (I): CA 60.060 60.060 60.652 -0.592 RESID 70 (I): CB 41.190 41.190 40.971 0.219 RESID 70 (I): H 9.402 9.402 8.052 1.350 RESID 71 (M): N 128.300 128.300 128.972 -0.672 RESID 71 (M): C 172.500 172.500 174.016 -1.516 RESID 71 (M): CA 53.040 53.040 55.044 -2.004 RESID 71 (M): CB 33.940 33.940 34.144 -0.204 RESID 71 (M): H 8.431 8.431 8.294 0.137 RESID 72 (S): N 122.700 122.700 121.502 1.198 RESID 72 (S): C 172.800 172.800 173.752 -0.952 RESID 72 (S): CA 57.630 57.630 56.647 0.983 RESID 72 (S): CB 64.590 64.590 65.175 -0.585 RESID 72 (S): H 8.717 8.717 8.684 0.033 RESID 73 (S): N 120.600 120.600 116.280 4.320 RESID 73 (S): C 174.900 174.900 174.994 -0.094 RESID 73 (S): CA 58.590 58.590 59.771 -1.181 RESID 73 (S): CB 62.920 62.920 62.802 0.118 RESID 73 (S): H 8.570 8.570 8.604 -0.034 RESID 74 (L): N 120.700 120.700 123.634 -2.934 RESID 74 (L): C 175.300 175.300 175.844 -0.544 RESID 74 (L): CA 54.320 54.320 55.437 -1.117 RESID 74 (L): CB 42.350 42.350 42.689 -0.339 RESID 74 (L): H 8.678 8.678 7.687 0.991 RESID 75 (S): N 122.000 122.000 119.786 2.214 RESID 75 (S): C 174.500 174.500 173.672 0.828 RESID 75 (S): CA 59.250 59.250 56.907 2.343 RESID 75 (S): CB 63.060 63.060 64.778 -1.718 RESID 75 (S): H 8.142 8.142 7.866 0.276 RESID 76 (I): N 125.200 125.200 115.624 9.576 RESID 76 (I): C 175.500 175.500 174.562 0.938 RESID 76 (I): CA 61.340 61.340 59.593 1.747 RESID 76 (I): CB 35.790 35.790 39.665 -3.875 RESID 76 (I): H 8.307 8.307 8.222 0.085 RESID 77 (T): N 116.600 116.600 113.534 3.066 RESID 77 (T): C 174.800 174.800 175.072 -0.272 RESID 77 (T): CA 57.760 57.760 59.976 -2.216 RESID 77 (T): CB 71.570 71.570 72.312 -0.743 RESID 77 (T): H 6.513 6.513 7.532 -1.019 RESID 78 (E): N 124.500 124.500 124.910 -0.410 RESID 78 (E): C 179.500 179.500 177.876 1.624 RESID 78 (E): CA 59.140 59.140 60.863 -1.723 RESID 78 (E): CB 28.630 28.630 29.273 -0.643 RESID 78 (E): H 8.935 8.935 8.909 0.026 RESID 79 (K): N 118.400 118.400 118.334 0.066 RESID 79 (K): C 180.600 180.600 179.029 1.571 RESID 79 (K): CA 58.890 58.890 59.184 -0.294 RESID 79 (K): CB 31.610 31.610 32.299 -0.689 RESID 79 (K): H 8.415 8.415 8.360 0.055 RESID 80 (R): N 118.500 118.500 118.857 -0.357 RESID 80 (R): C 179.100 179.100 178.959 0.141 RESID 80 (R): CA 59.580 59.580 59.219 0.361 RESID 80 (R): CB 30.380 30.380 30.065 0.315 RESID 80 (R): H 7.678 7.678 7.402 0.276 RESID 81 (Q): N 119.000 119.000 119.648 -0.648 RESID 81 (Q): C 176.600 176.600 178.985 -2.385 RESID 81 (Q): CA 57.510 57.510 59.017 -1.507 RESID 81 (Q): CB 28.880 28.880 28.542 0.338 RESID 81 (Q): H 8.418 8.418 8.293 0.125 RESID 82 (Q): N 115.300 115.300 117.889 -2.589 RESID 82 (Q): C 177.400 177.400 177.803 -0.403 RESID 82 (Q): CA 57.280 57.280 58.413 -1.133 RESID 82 (Q): CB 27.950 27.950 28.481 -0.531 RESID 82 (Q): H 7.297 7.297 7.965 -0.668 RESID 83 (E): N 115.600 115.600 117.745 -2.145 RESID 83 (E): C 176.400 176.400 177.300 -0.900 RESID 83 (E): CA 56.950 56.950 58.369 -1.419 RESID 83 (E): CB 33.090 33.090 31.203 1.887 RESID 83 (E): H 7.627 7.627 7.933 -0.306 RESID 84 (I): N 115.100 115.100 111.882 3.218 RESID 84 (I): C 172.600 172.600 173.937 -1.337 RESID 84 (I): CA 59.380 59.380 58.897 0.483 RESID 84 (I): CB 40.830 40.830 41.525 -0.695 RESID 84 (I): H 8.275 8.275 7.975 0.300 RESID 85 (A): N 120.600 120.600 120.393 0.207 RESID 85 (A): C 175.000 175.000 175.267 -0.267 RESID 85 (A): CA 49.150 49.150 50.281 -1.131 RESID 85 (A): CB 22.280 22.280 21.409 0.871 RESID 85 (A): H 8.679 8.679 8.392 0.287 RESID 86 (F): N 115.500 115.500 119.141 -3.641 RESID 86 (F): C 178.800 178.800 175.822 2.978 RESID 86 (F): CA 55.850 55.850 56.916 -1.066 RESID 86 (F): CB 44.300 44.300 44.037 0.263 RESID 86 (F): H 8.283 8.283 8.619 -0.336 RESID 87 (T): N 108.200 108.200 114.976 -6.776 RESID 87 (T): C 174.700 174.700 173.788 0.912 RESID 87 (T): CA 61.930 61.930 61.157 0.773 RESID 87 (T): CB 72.740 72.740 70.098 2.642 RESID 87 (T): H 7.898 7.898 8.392 -0.494 RESID 88 (D): N 118.400 118.400 120.421 -2.021 RESID 88 (D): C 174.300 174.300 175.631 -1.331 RESID 88 (D): CA 55.030 55.030 55.779 -0.750 RESID 88 (D): CB 40.870 40.870 39.816 1.054 RESID 88 (D): H 8.789 8.789 8.808 -0.019 RESID 89 (K): N 118.100 118.100 116.638 1.462 RESID 89 (K): C 176.200 176.200 176.711 -0.511 RESID 89 (K): CA 55.570 55.570 57.275 -1.705 RESID 89 (K): CB 31.850 31.850 31.534 0.316 RESID 89 (K): H 7.666 7.666 7.695 -0.029 RESID 90 (L): N 123.400 123.400 126.372 -2.972 RESID 90 (L): C 178.000 178.000 177.737 0.263 RESID 90 (L): CA 54.450 54.450 57.317 -2.867 RESID 90 (L): CB 41.710 41.710 43.304 -1.594 RESID 90 (L): H 8.778 8.778 8.759 0.019 RESID 91 (Y): N 110.500 110.500 110.002 0.498 RESID 91 (Y): C 172.600 172.600 173.672 -1.072 RESID 91 (Y): CA 56.070 56.070 55.551 0.519 RESID 91 (Y): CB 37.670 37.670 40.551 -2.881 RESID 91 (Y): H 6.810 6.810 7.189 -0.379 RESID 92 (A): N 123.100 123.100 122.544 0.556 RESID 92 (A): C 175.600 175.600 176.767 -1.167 RESID 92 (A): CA 51.940 51.940 51.087 0.852 RESID 92 (A): CB 20.320 20.320 19.620 0.699 RESID 92 (A): H 8.135 8.135 9.102 -0.967 RESID 93 (A): N 127.000 127.000 127.752 -0.752 RESID 93 (A): C 175.700 175.700 176.668 -0.968 RESID 93 (A): CA 51.020 51.020 50.677 0.343 RESID 93 (A): CB 18.310 18.310 18.371 -0.061 RESID 93 (A): H 8.658 8.658 8.387 0.271 RESID 94 (D): N 122.900 122.900 121.759 1.141 RESID 94 (D): C 175.300 175.300 176.128 -0.828 RESID 94 (D): CA 53.910 53.910 55.134 -1.224 RESID 94 (D): CB 42.030 42.030 42.265 -0.235 RESID 94 (D): H 8.497 8.497 7.740 0.757 RESID 95 (S): N 110.300 110.300 112.243 -1.943 RESID 95 (S): C 171.600 171.600 173.083 -1.483 RESID 95 (S): CA 57.850 57.850 57.388 0.462 RESID 95 (S): CB 66.410 66.410 66.534 -0.124 RESID 95 (S): H 6.844 6.844 7.884 -1.040 RESID 96 (R): N 124.300 124.300 119.768 4.532 RESID 96 (R): C 173.700 173.700 173.849 -0.149 RESID 96 (R): CA 57.450 57.450 55.895 1.556 RESID 96 (R): CB 34.070 34.070 34.360 -0.290 RESID 96 (R): H 9.227 9.227 8.836 0.391 RESID 97 (L): N 124.100 124.100 125.143 -1.043 RESID 97 (L): C 177.600 177.600 175.935 1.665 RESID 97 (L): CA 54.150 54.150 53.791 0.359 RESID 97 (L): CB 42.640 42.640 44.389 -1.749 RESID 97 (L): H 9.343 9.343 8.051 1.292 RESID 98 (V): N 124.500 124.500 123.268 1.232 RESID 98 (V): C 175.700 175.700 175.025 0.675 RESID 98 (V): CA 61.770 61.770 60.879 0.891 RESID 98 (V): CB 32.950 32.950 32.308 0.642 RESID 98 (V): H 9.500 9.500 7.978 1.522 RESID 99 (V): N 116.800 116.800 120.620 -3.820 RESID 99 (V): C 174.600 174.600 173.958 0.642 RESID 99 (V): CA 58.190 58.190 58.833 -0.643 RESID 99 (V): CB 36.780 36.780 35.760 1.020 RESID 99 (V): H 9.192 9.192 8.085 1.107 RESID 100 (A): N 123.400 123.400 122.515 0.885 RESID 100 (A): C 179.200 179.200 178.359 0.841 RESID 100 (A): CA 52.690 52.690 50.654 2.036 RESID 100 (A): CB 18.160 18.160 20.064 -1.904 RESID 100 (A): H 9.043 9.043 8.422 0.621 RESID 101 (K): N 119.600 119.600 123.612 -4.012 RESID 101 (K): C 176.800 176.800 177.031 -0.231 RESID 101 (K): CA 59.360 59.360 58.974 0.386 RESID 101 (K): CB 31.380 31.380 31.894 -0.514 RESID 101 (K): H 7.840 7.840 8.914 -1.074 RESID 102 (N): N 114.400 114.400 115.544 -1.144 RESID 102 (N): C 175.500 175.500 175.244 0.256 RESID 102 (N): CA 52.330 52.330 54.640 -2.310 RESID 102 (N): CB 36.990 36.990 38.602 -1.612 RESID 102 (N): H 7.941 7.941 8.196 -0.255 RESID 103 (S): N 114.800 114.800 114.677 0.123 RESID 103 (S): C 176.000 176.000 173.290 2.710 RESID 103 (S): CA 58.180 58.180 57.501 0.679 RESID 103 (S): CB 64.310 64.310 63.907 0.403 RESID 103 (S): H 7.700 7.700 7.588 0.112 RESID 104 (D): N 128.500 128.500 129.283 -0.783 RESID 104 (D): C 176.700 176.700 175.173 1.527 RESID 104 (D): CA 52.990 52.990 54.003 -1.013 RESID 104 (D): CB 40.330 40.330 40.873 -0.543 RESID 104 (D): H 8.548 8.548 8.540 0.008 RESID 105 (I): N 122.800 122.800 124.816 -2.016 RESID 105 (I): C 173.800 173.800 174.631 -0.831 RESID 105 (I): CA 63.580 63.580 60.549 3.031 RESID 105 (I): CB 37.490 37.490 40.513 -3.023 RESID 105 (I): H 7.826 7.826 8.191 -0.365 RESID 106 (Q): N 124.600 124.600 125.052 -0.452 RESID 106 (Q): C 174.700 174.700 173.842 0.858 RESID 106 (Q): CA 51.380 51.380 52.085 -0.705 RESID 106 (Q): CB 31.050 31.050 29.849 1.201 RESID 106 (Q): H 8.174 8.174 8.490 -0.316 RESID 107 (P): C 175.300 175.300 175.793 -0.493 RESID 107 (P): CA 61.880 61.880 63.650 -1.770 RESID 107 (P): CB 26.860 26.860 31.002 -4.142 RESID 108 (T): N 114.600 114.600 117.677 -3.077 RESID 108 (T): C 174.000 174.000 174.383 -0.383 RESID 108 (T): CA 57.690 57.690 61.621 -3.932 RESID 108 (T): CB 71.020 71.020 71.983 -0.963 RESID 108 (T): H 8.531 8.531 7.677 0.854 RESID 109 (V): N 121.800 121.800 123.220 -1.420 RESID 109 (V): C 177.300 177.300 176.938 0.362 RESID 109 (V): CA 65.600 65.600 64.755 0.845 RESID 109 (V): CB 30.580 30.580 32.768 -2.188 RESID 109 (V): H 8.775 8.775 8.482 0.293 RESID 110 (E): N 116.900 116.900 120.807 -3.907 RESID 110 (E): C 178.400 178.400 178.675 -0.275 RESID 110 (E): CA 59.260 59.260 60.131 -0.871 RESID 110 (E): CB 28.170 28.170 29.049 -0.879 RESID 110 (E): H 8.414 8.414 8.389 0.025 RESID 111 (S): N 113.200 113.200 113.410 -0.210 RESID 111 (S): C 176.500 176.500 175.912 0.588 RESID 111 (S): CA 59.370 59.370 60.984 -1.614 RESID 111 (S): CB 63.730 63.730 62.510 1.220 RESID 111 (S): H 7.387 7.387 8.442 -1.055 RESID 112 (L): N 116.100 116.100 120.421 -4.321 RESID 112 (L): C 176.700 176.700 176.680 0.020 RESID 112 (L): CA 54.580 54.580 55.354 -0.774 RESID 112 (L): CB 42.650 42.650 42.560 0.090 RESID 112 (L): H 7.676 7.676 7.328 0.348 RESID 113 (K): N 121.000 121.000 119.203 1.797 RESID 113 (K): C 178.200 178.200 177.508 0.692 RESID 113 (K): CA 58.850 58.850 58.230 0.620 RESID 113 (K): CB 30.850 30.850 32.258 -1.408 RESID 113 (K): H 7.445 7.445 7.724 -0.279 RESID 114 (G): N 113.900 113.900 112.909 0.991 RESID 114 (G): C 174.200 174.200 174.793 -0.593 RESID 114 (G): CA 45.240 45.240 45.358 -0.118 RESID 114 (G): H 8.454 8.454 8.356 0.098 RESID 115 (K): N 120.600 120.600 121.703 -1.103 RESID 115 (K): C 174.800 174.800 176.102 -1.302 RESID 115 (K): CA 53.710 53.710 54.743 -1.033 RESID 115 (K): CB 31.990 31.990 33.298 -1.308 RESID 115 (K): H 8.530 8.530 7.868 0.662 RESID 116 (R): N 119.300 119.300 120.799 -1.499 RESID 116 (R): C 176.000 176.000 175.416 0.584 RESID 116 (R): CA 54.720 54.720 55.734 -1.014 RESID 116 (R): CB 32.310 32.310 31.802 0.508 RESID 116 (R): H 9.455 9.455 8.479 0.976 RESID 117 (V): N 126.100 126.100 123.284 2.816 RESID 117 (V): C 175.300 175.300 174.963 0.337 RESID 117 (V): CA 60.090 60.090 60.235 -0.145 RESID 117 (V): CB 33.620 33.620 35.527 -1.907 RESID 117 (V): H 9.217 9.217 8.592 0.625 RESID 118 (G): N 114.000 114.000 113.701 0.299 RESID 118 (G): C 172.300 172.300 172.527 -0.227 RESID 118 (G): CA 45.010 45.010 43.630 1.380 RESID 118 (G): H 9.367 9.367 8.075 1.292 RESID 119 (V): N 116.400 116.400 122.346 -5.946 RESID 119 (V): C 174.100 174.100 174.030 0.070 RESID 119 (V): CA 58.270 58.270 60.453 -2.183 RESID 119 (V): CB 36.370 36.370 36.997 -0.627 RESID 119 (V): H 9.166 9.166 9.299 -0.133 RESID 120 (L): N 124.400 124.400 124.158 0.242 RESID 120 (L): C 176.900 176.900 175.655 1.245 RESID 120 (L): CA 53.690 53.690 53.954 -0.264 RESID 120 (L): CB 41.240 41.240 42.662 -1.422 RESID 120 (L): H 8.961 8.961 8.820 0.141 RESID 121 (Q): N 128.000 128.000 127.174 0.826 RESID 121 (Q): C 176.900 176.900 177.240 -0.340 RESID 121 (Q): CA 56.680 56.680 57.091 -0.411 RESID 121 (Q): CB 27.920 27.920 29.532 -1.612 RESID 121 (Q): H 9.305 9.305 9.000 0.305 RESID 122 (G): N 113.600 113.600 113.584 0.016 RESID 122 (G): C 175.100 175.100 173.558 1.542 RESID 122 (G): CA 45.240 45.240 45.474 -0.233 RESID 122 (G): H 9.383 9.383 8.742 0.641 RESID 123 (T): N 108.400 108.400 110.093 -1.693 RESID 123 (T): C 176.800 176.800 174.411 2.389 RESID 123 (T): CA 60.260 60.260 60.003 0.257 RESID 123 (T): CB 73.530 73.530 70.635 2.895 RESID 123 (T): H 7.220 7.220 7.737 -0.517 RESID 124 (T): N 113.900 113.900 112.564 1.336 RESID 124 (T): C 178.100 178.100 176.529 1.571 RESID 124 (T): CA 63.990 63.990 64.707 -0.717 RESID 124 (T): CB 67.740 67.740 68.699 -0.959 RESID 124 (T): H 8.934 8.934 8.660 0.274 RESID 125 (Q): N 120.600 120.600 122.396 -1.796 RESID 125 (Q): C 178.300 178.300 178.099 0.201 RESID 125 (Q): CA 61.670 61.670 59.754 1.916 RESID 125 (Q): CB 25.310 25.310 28.045 -2.735 RESID 125 (Q): H 7.521 7.521 8.278 -0.757 RESID 126 (E): N 121.900 121.900 119.776 2.124 RESID 126 (E): C 177.600 177.600 178.900 -1.300 RESID 126 (E): CA 59.630 59.630 59.826 -0.196 RESID 126 (E): CB 28.730 28.730 29.640 -0.910 RESID 126 (E): H 7.717 7.717 7.806 -0.089 RESID 127 (T): N 117.800 117.800 116.235 1.565 RESID 127 (T): C 176.200 176.200 176.370 -0.170 RESID 127 (T): CA 66.340 66.340 66.823 -0.483 RESID 127 (T): CB 67.590 67.590 68.725 -1.135 RESID 127 (T): H 8.175 8.175 7.621 0.554 RESID 128 (F): N 121.900 121.900 121.967 -0.067 RESID 128 (F): C 178.000 178.000 177.537 0.463 RESID 128 (F): CA 61.590 61.590 60.726 0.864 RESID 128 (F): CB 38.810 38.810 38.917 -0.107 RESID 128 (F): H 8.882 8.882 8.604 0.278 RESID 129 (G): N 107.000 107.000 107.104 -0.104 RESID 129 (G): C 176.100 176.100 176.479 -0.379 RESID 129 (G): CA 46.690 46.690 47.218 -0.528 RESID 129 (G): H 8.900 8.900 9.151 -0.251 RESID 130 (N): N 123.000 123.000 118.433 4.567 RESID 130 (N): C 176.200 176.200 175.827 0.373 RESID 130 (N): CA 55.400 55.400 55.337 0.062 RESID 130 (N): CB 37.570 37.570 38.198 -0.628 RESID 130 (N): H 8.915 8.915 8.556 0.359 RESID 131 (E): N 119.000 119.000 116.715 2.285 RESID 131 (E): C 177.900 177.900 177.093 0.807 RESID 131 (E): CA 57.940 57.940 56.705 1.236 RESID 131 (E): CB 29.350 29.350 30.768 -1.418 RESID 131 (E): H 7.907 7.907 7.479 0.428 RESID 132 (H): N 112.600 112.600 118.631 -6.031 RESID 132 (H): C 175.900 175.900 175.547 0.353 RESID 132 (H): CA 56.910 56.910 58.784 -1.874 RESID 132 (H): CB 30.510 30.510 29.810 0.700 RESID 132 (H): H 7.877 7.877 7.886 -0.009 RESID 133 (W): N 119.300 119.300 117.431 1.869 RESID 133 (W): C 176.800 176.800 176.190 0.610 RESID 133 (W): CA 55.570 55.570 56.543 -0.973 RESID 133 (W): CB 30.400 30.400 29.761 0.639 RESID 133 (W): H 7.653 7.653 7.491 0.162 RESID 134 (A): N 125.400 125.400 124.644 0.756 RESID 134 (A): C 177.700 177.700 177.221 0.479 RESID 134 (A): CA 55.410 55.410 54.648 0.762 RESID 134 (A): CB 15.990 15.990 16.802 -0.812 RESID 134 (A): H 8.711 8.711 7.536 1.175 RESID 135 (P): C 177.200 177.200 177.409 -0.209 RESID 135 (P): CA 64.510 64.510 64.191 0.319 RESID 135 (P): CB 30.800 30.800 30.979 -0.179 RESID 136 (K): N 115.800 115.800 116.248 -0.448 RESID 136 (K): C 176.500 176.500 177.634 -1.134 RESID 136 (K): CA 53.530 53.530 55.932 -2.402 RESID 136 (K): CB 31.430 31.430 32.019 -0.589 RESID 136 (K): H 7.665 7.665 8.139 -0.474 RESID 137 (G): N 106.100 106.100 108.330 -2.230 RESID 137 (G): C 174.300 174.300 173.520 0.780 RESID 137 (G): CA 45.740 45.740 45.369 0.371 RESID 137 (G): H 7.864 7.864 7.668 0.196 RESID 138 (I): N 124.400 124.400 119.362 5.038 RESID 138 (I): C 174.400 174.400 174.790 -0.390 RESID 138 (I): CA 60.460 60.460 60.108 0.351 RESID 138 (I): CB 38.080 38.080 39.844 -1.764 RESID 138 (I): H 6.889 6.889 7.479 -0.590 RESID 139 (E): N 128.400 128.400 127.246 1.154 RESID 139 (E): C 173.900 173.900 175.097 -1.197 RESID 139 (E): CA 56.050 56.050 55.593 0.457 RESID 139 (E): CB 29.490 29.490 31.230 -1.740 RESID 139 (E): H 8.230 8.230 8.334 -0.104 RESID 140 (I): N 129.500 129.500 121.650 7.850 RESID 140 (I): C 176.100 176.100 174.767 1.333 RESID 140 (I): CA 57.100 57.100 59.020 -1.921 RESID 140 (I): CB 34.440 34.440 40.593 -6.152 RESID 140 (I): H 8.642 8.642 8.357 0.285 RESID 141 (V): N 133.000 133.000 125.245 7.755 RESID 141 (V): C 174.400 174.400 174.463 -0.063 RESID 141 (V): CA 61.060 61.060 61.157 -0.097 RESID 141 (V): CB 32.410 32.410 36.071 -3.661 RESID 141 (V): H 9.387 9.387 8.942 0.445 RESID 142 (S): N 122.900 122.900 120.316 2.584 RESID 142 (S): C 175.000 175.000 173.540 1.460 RESID 142 (S): CA 57.710 57.710 57.372 0.338 RESID 142 (S): CB 63.710 63.710 63.789 -0.080 RESID 142 (S): H 8.490 8.490 8.427 0.063 RESID 143 (Y): N 123.400 123.400 126.163 -2.763 RESID 143 (Y): C 175.900 175.900 176.170 -0.270 RESID 143 (Y): CA 57.300 57.300 57.755 -0.456 RESID 143 (Y): CB 42.300 42.300 41.283 1.016 RESID 143 (Y): H 8.979 8.979 9.264 -0.285 RESID 144 (Q): N 119.500 119.500 120.113 -0.613 RESID 144 (Q): C 176.000 176.000 174.907 1.093 RESID 144 (Q): CA 56.490 56.490 55.907 0.584 RESID 144 (Q): CB 28.470 28.470 29.855 -1.385 RESID 144 (Q): H 8.974 8.974 8.742 0.232 RESID 145 (G): N 106.800 106.800 107.343 -0.543 RESID 145 (G): C 173.500 173.500 174.160 -0.660 RESID 145 (G): CA 44.300 44.300 44.315 -0.015 RESID 145 (G): H 7.531 7.531 7.861 -0.330 RESID 146 (Q): N 124.300 124.300 122.870 1.430 RESID 146 (Q): C 177.200 177.200 177.347 -0.147 RESID 146 (Q): CA 57.800 57.800 58.796 -0.996 RESID 146 (Q): CB 28.190 28.190 28.627 -0.437 RESID 146 (Q): H 8.949 8.949 8.859 0.090 RESID 147 (D): N 117.900 117.900 118.416 -0.516 RESID 147 (D): C 178.900 178.900 178.477 0.423 RESID 147 (D): CA 56.650 56.650 56.852 -0.202 RESID 147 (D): CB 38.890 38.890 39.744 -0.854 RESID 147 (D): H 8.746 8.746 8.783 -0.037 RESID 148 (N): N 117.500 117.500 117.868 -0.368 RESID 148 (N): C 176.700 176.700 177.260 -0.560 RESID 148 (N): CA 55.160 55.160 55.717 -0.557 RESID 148 (N): CB 38.700 38.700 38.121 0.579 RESID 148 (N): H 7.496 7.496 8.536 -1.040 RESID 149 (I): N 120.000 120.000 119.739 0.261 RESID 149 (I): C 177.400 177.400 177.568 -0.168 RESID 149 (I): CA 64.450 64.450 64.984 -0.534 RESID 149 (I): CB 35.900 35.900 37.633 -1.733 RESID 149 (I): H 6.793 6.793 7.084 -0.291 RESID 150 (Y): N 117.400 117.400 118.071 -0.671 RESID 150 (Y): C 178.800 178.800 178.157 0.643 RESID 150 (Y): CA 59.730 59.730 61.636 -1.906 RESID 150 (Y): CB 35.970 35.970 37.702 -1.732 RESID 150 (Y): H 6.897 6.897 7.407 -0.510 RESID 151 (S): N 117.000 117.000 115.014 1.986 RESID 151 (S): C 177.000 177.000 177.057 -0.057 RESID 151 (S): CA 61.300 61.300 61.888 -0.588 RESID 151 (S): CB 62.100 62.100 62.406 -0.306 RESID 151 (S): H 8.186 8.186 8.248 -0.062 RESID 152 (D): N 122.300 122.300 123.427 -1.127 RESID 152 (D): C 179.000 179.000 178.373 0.627 RESID 152 (D): CA 56.580 56.580 56.882 -0.302 RESID 152 (D): CB 38.240 38.240 40.352 -2.112 RESID 152 (D): H 7.541 7.541 7.720 -0.179 RESID 153 (L): N 124.100 124.100 121.163 2.937 RESID 153 (L): C 180.300 180.300 178.530 1.770 RESID 153 (L): CA 58.160 58.160 57.534 0.626 RESID 153 (L): CB 41.630 41.630 41.819 -0.189 RESID 153 (L): H 8.372 8.372 7.864 0.508 RESID 154 (T): N 111.900 111.900 113.424 -1.524 RESID 154 (T): C 176.700 176.700 175.334 1.366 RESID 154 (T): CA 63.920 63.920 65.360 -1.440 RESID 154 (T): CB 68.700 68.700 69.023 -0.323 RESID 154 (T): H 8.389 8.389 8.314 0.075 RESID 155 (A): N 121.800 121.800 120.102 1.698 RESID 155 (A): C 178.200 178.200 178.033 0.167 RESID 155 (A): CA 51.640 51.640 52.316 -0.677 RESID 155 (A): CB 18.990 18.990 19.484 -0.494 RESID 155 (A): H 7.444 7.444 7.075 0.369 RESID 156 (G): N 107.800 107.800 107.130 0.670 RESID 156 (G): C 175.100 175.100 175.348 -0.248 RESID 156 (G): CA 45.420 45.420 45.177 0.243 RESID 156 (G): H 7.921 7.921 8.013 -0.092 RESID 157 (R): N 119.000 119.000 119.174 -0.174 RESID 157 (R): C 176.600 176.600 175.727 0.873 RESID 157 (R): CA 57.260 57.260 57.586 -0.326 RESID 157 (R): CB 30.400 30.400 30.767 -0.367 RESID 157 (R): H 8.443 8.443 8.134 0.309 RESID 158 (I): N 108.900 108.900 112.838 -3.938 RESID 158 (I): C 173.700 173.700 174.292 -0.592 RESID 158 (I): CA 59.900 59.900 59.214 0.686 RESID 158 (I): CB 40.070 40.070 41.068 -0.998 RESID 158 (I): H 7.109 7.109 7.118 -0.009 RESID 159 (D): N 119.100 119.100 123.770 -4.670 RESID 159 (D): C 174.700 174.700 175.657 -0.957 RESID 159 (D): CA 55.900 55.900 56.308 -0.408 RESID 159 (D): CB 43.630 43.630 41.721 1.909 RESID 159 (D): H 8.737 8.737 8.472 0.265 RESID 160 (A): N 116.400 116.400 116.461 -0.061 RESID 160 (A): C 174.900 174.900 174.324 0.576 RESID 160 (A): CA 50.190 50.190 51.472 -1.282 RESID 160 (A): CB 23.030 23.030 21.377 1.653 RESID 160 (A): H 7.702 7.702 7.166 0.536 RESID 161 (A): N 123.400 123.400 121.791 1.609 RESID 161 (A): C 175.500 175.500 175.677 -0.177 RESID 161 (A): CA 49.730 49.730 50.270 -0.540 RESID 161 (A): CB 21.110 21.110 21.610 -0.500 RESID 161 (A): H 8.915 8.915 7.988 0.927 RESID 162 (F): N 125.100 125.100 122.595 2.505 RESID 162 (F): C 172.900 172.900 174.990 -2.090 RESID 162 (F): CA 54.500 54.500 58.221 -3.721 RESID 162 (F): CB 39.400 39.400 38.818 0.582 RESID 162 (F): H 8.971 8.971 8.435 0.536 RESID 163 (Q): N 124.600 124.600 123.370 1.230 RESID 163 (Q): C 173.400 173.400 173.692 -0.292 RESID 163 (Q): CA 53.550 53.550 53.639 -0.089 RESID 163 (Q): CB 34.390 34.390 33.151 1.238 RESID 163 (Q): H 7.904 7.904 8.326 -0.422 RESID 164 (D): N 122.300 122.300 121.281 1.019 RESID 164 (D): C 175.800 175.800 177.252 -1.452 RESID 164 (D): CA 55.540 55.540 54.473 1.067 RESID 164 (D): CB 42.370 42.370 42.047 0.323 RESID 164 (D): H 8.304 8.304 8.439 -0.135 RESID 165 (E): N 128.600 128.600 122.812 5.788 RESID 165 (E): C 177.700 177.700 178.109 -0.409 RESID 165 (E): CA 60.230 60.230 60.125 0.105 RESID 165 (E): CB 30.020 30.020 29.820 0.200 RESID 165 (E): H 8.605 8.605 8.765 -0.160 RESID 166 (V): N 120.100 120.100 118.832 1.268 RESID 166 (V): C 178.300 178.300 177.266 1.034 RESID 166 (V): CA 66.800 66.800 66.677 0.123 RESID 166 (V): CB 30.070 30.070 30.255 -0.185 RESID 166 (V): H 8.748 8.748 8.185 0.563 RESID 167 (A): N 123.200 123.200 120.104 3.096 RESID 167 (A): C 182.500 182.500 179.089 3.411 RESID 167 (A): CA 54.980 54.980 54.715 0.265 RESID 167 (A): CB 17.910 17.910 18.030 -0.120 RESID 167 (A): H 8.655 8.655 7.904 0.751 RESID 168 (A): N 121.300 121.300 122.152 -0.852 RESID 168 (A): C 179.800 179.800 179.720 0.080 RESID 168 (A): CA 54.180 54.180 54.545 -0.365 RESID 168 (A): CB 18.750 18.750 18.421 0.329 RESID 168 (A): H 8.349 8.349 7.872 0.477 RESID 169 (S): N 113.400 113.400 114.272 -0.872 RESID 169 (S): C 175.700 175.700 176.258 -0.558 RESID 169 (S): CA 61.050 61.050 62.800 -1.750 RESID 169 (S): CB 63.050 63.050 62.571 0.479 RESID 169 (S): H 8.058 8.058 8.138 -0.080 RESID 170 (E): N 115.600 115.600 120.273 -4.673 RESID 170 (E): C 178.800 178.800 177.324 1.476 RESID 170 (E): CA 57.610 57.610 58.043 -0.433 RESID 170 (E): CB 29.790 29.790 29.050 0.740 RESID 170 (E): H 8.824 8.824 7.853 0.971 RESID 171 (G): N 103.400 103.400 104.819 -1.419 RESID 171 (G): C 173.700 173.700 175.017 -1.317 RESID 171 (G): CA 44.970 44.970 45.253 -0.283 RESID 171 (G): H 8.154 8.154 7.347 0.807 RESID 172 (F): N 120.100 120.100 122.517 -2.417 RESID 172 (F): C 175.200 175.200 177.689 -2.489 RESID 172 (F): CA 60.690 60.690 61.141 -0.451 RESID 172 (F): CB 40.740 40.740 39.087 1.653 RESID 172 (F): H 7.297 7.297 8.317 -1.020 RESID 173 (L): N 117.800 117.800 117.710 0.090 RESID 173 (L): C 179.000 179.000 178.290 0.710 RESID 173 (L): CA 57.670 57.670 56.852 0.818 RESID 173 (L): CB 40.020 40.020 41.833 -1.813 RESID 173 (L): H 8.470 8.470 7.522 0.948 RESID 174 (K): N 114.600 114.600 116.465 -1.865 RESID 174 (K): C 176.900 176.900 176.382 0.518 RESID 174 (K): CA 56.450 56.450 57.302 -0.852 RESID 174 (K): CB 31.770 31.770 32.670 -0.900 RESID 174 (K): H 8.018 8.018 7.542 0.476 RESID 175 (Q): N 118.800 118.800 117.111 1.689 RESID 175 (Q): C 176.000 176.000 173.951 2.049 RESID 175 (Q): CA 52.510 52.510 52.227 0.283 RESID 175 (Q): CB 26.740 26.740 29.823 -3.083 RESID 175 (Q): H 7.151 7.151 7.274 -0.123 RESID 176 (P): C 179.300 179.300 177.342 1.958 RESID 176 (P): CA 66.100 66.100 65.431 0.668 RESID 176 (P): CB 30.720 30.720 31.534 -0.814 RESID 177 (V): N 112.300 112.300 117.276 -4.976 RESID 177 (V): C 175.900 175.900 177.902 -2.002 RESID 177 (V): CA 62.860 62.860 65.952 -3.092 RESID 177 (V): CB 30.660 30.660 30.578 0.082 RESID 177 (V): H 7.480 7.480 7.685 -0.205 RESID 178 (G): N 109.700 109.700 105.749 3.951 RESID 178 (G): C 175.000 175.000 174.791 0.209 RESID 178 (G): CA 44.080 44.080 46.238 -2.158 RESID 178 (G): H 7.173 7.173 7.904 -0.731 RESID 179 (K): N 120.900 120.900 119.103 1.797 RESID 179 (K): C 177.100 177.100 177.652 -0.552 RESID 179 (K): CA 58.360 58.360 58.458 -0.098 RESID 179 (K): CB 31.260 31.260 32.288 -1.028 RESID 179 (K): H 6.972 6.972 7.419 -0.447 RESID 180 (D): N 117.200 117.200 117.270 -0.070 RESID 180 (D): C 173.900 173.900 175.863 -1.963 RESID 180 (D): CA 53.920 53.920 55.883 -1.963 RESID 180 (D): CB 39.690 39.690 41.359 -1.669 RESID 180 (D): H 8.036 8.036 7.450 0.586 RESID 181 (Y): N 120.500 120.500 114.955 5.545 RESID 181 (Y): C 172.300 172.300 173.482 -1.182 RESID 181 (Y): CA 57.890 57.890 57.748 0.142 RESID 181 (Y): CB 41.860 41.860 42.362 -0.502 RESID 181 (Y): H 7.768 7.768 7.445 0.323 RESID 182 (K): N 116.900 116.900 118.715 -1.815 RESID 182 (K): C 174.900 174.900 174.277 0.623 RESID 182 (K): CA 54.330 54.330 56.458 -2.128 RESID 182 (K): CB 35.610 35.610 33.321 2.289 RESID 182 (K): H 9.497 9.497 8.845 0.652 RESID 183 (F): N 117.900 117.900 122.190 -4.290 RESID 183 (F): C 177.800 177.800 174.994 2.806 RESID 183 (F): CA 56.780 56.780 58.087 -1.307 RESID 183 (F): CB 38.320 38.320 42.837 -4.517 RESID 183 (F): H 8.470 8.470 7.861 0.609 RESID 184 (G): N 113.700 113.700 109.372 4.328 RESID 184 (G): C 173.300 173.300 174.703 -1.403 RESID 184 (G): CA 46.900 46.900 45.022 1.878 RESID 184 (G): H 9.107 9.107 8.847 0.260 RESID 185 (G): N 111.000 111.000 110.216 0.784 RESID 185 (G): C 171.100 171.100 172.906 -1.806 RESID 185 (G): CA 44.530 44.530 45.568 -1.038 RESID 185 (G): H 7.702 7.702 8.477 -0.775 RESID 186 (P): C 175.500 175.500 176.191 -0.691 RESID 186 (P): CA 61.920 61.920 64.445 -2.525 RESID 186 (P): CB 32.640 32.640 31.855 0.785 RESID 187 (S): N 113.500 113.500 120.189 -6.689 RESID 187 (S): C 173.500 173.500 173.825 -0.325 RESID 187 (S): CA 57.930 57.930 57.483 0.447 RESID 187 (S): CB 63.260 63.260 65.641 -2.381 RESID 187 (S): H 8.452 8.452 8.331 0.121 RESID 188 (V): N 123.300 123.300 121.723 1.577 RESID 188 (V): C 173.900 173.900 173.628 0.272 RESID 188 (V): CA 61.800 61.800 62.371 -0.571 RESID 188 (V): CB 32.680 32.680 34.681 -2.001 RESID 188 (V): H 9.080 9.080 7.844 1.236 RESID 189 (K): N 125.200 125.200 122.483 2.717 RESID 189 (K): C 176.700 176.700 174.088 2.612 RESID 189 (K): CA 54.680 54.680 56.182 -1.502 RESID 189 (K): CB 33.780 33.780 34.720 -0.940 RESID 189 (K): H 8.123 8.123 8.132 -0.009 RESID 190 (D): N 120.300 120.300 122.108 -1.808 RESID 190 (D): C 175.300 175.300 176.884 -1.584 RESID 190 (D): CA 55.610 55.610 53.412 2.198 RESID 190 (D): CB 42.620 42.620 40.439 2.181 RESID 190 (D): H 8.823 8.823 8.290 0.533 RESID 191 (E): N 129.100 129.100 126.611 2.489 RESID 191 (E): C 177.300 177.300 177.598 -0.298 RESID 191 (E): CA 59.310 59.310 58.460 0.850 RESID 191 (E): CB 28.420 28.420 29.532 -1.112 RESID 191 (E): H 9.239 9.239 8.854 0.385 RESID 192 (K): N 118.000 118.000 119.283 -1.283 RESID 192 (K): C 178.200 178.200 178.046 0.154 RESID 192 (K): CA 58.140 58.140 58.928 -0.788 RESID 192 (K): CB 31.690 31.690 32.134 -0.444 RESID 192 (K): H 7.918 7.918 8.768 -0.850 RESID 193 (L): N 118.200 118.200 117.923 0.277 RESID 193 (L): C 177.700 177.700 177.728 -0.028 RESID 193 (L): CA 55.790 55.790 56.967 -1.177 RESID 193 (L): CB 42.330 42.330 42.053 0.277 RESID 193 (L): H 8.362 8.362 7.148 1.214 RESID 194 (F): N 116.800 116.800 113.463 3.337 RESID 194 (F): C 178.200 178.200 175.844 2.356 RESID 194 (F): CA 54.620 54.620 57.364 -2.744 RESID 194 (F): CB 37.390 37.390 39.956 -2.566 RESID 194 (F): H 8.036 8.036 7.290 0.746 RESID 195 (G): N 106.900 106.900 108.842 -1.942 RESID 195 (G): C 174.200 174.200 174.557 -0.357 RESID 195 (G): CA 44.120 44.120 44.894 -0.774 RESID 195 (G): H 7.510 7.510 7.656 -0.146 RESID 196 (V): N 112.400 112.400 123.849 -11.449 RESID 196 (V): C 175.300 175.300 175.825 -0.525 RESID 196 (V): CA 60.720 60.720 64.021 -3.301 RESID 196 (V): CB 30.630 30.630 32.154 -1.524 RESID 196 (V): H 8.064 8.064 8.334 -0.270 RESID 197 (G): N 108.100 108.100 105.152 2.948 RESID 197 (G): C 172.300 172.300 172.012 0.288 RESID 197 (G): CA 43.210 43.210 45.263 -2.053 RESID 197 (G): H 7.788 7.788 7.254 0.534 RESID 198 (T): N 109.200 109.200 113.337 -4.137 RESID 198 (T): C 172.800 172.800 173.155 -0.355 RESID 198 (T): CA 59.090 59.090 59.344 -0.254 RESID 198 (T): CB 71.080 71.080 71.320 -0.240 RESID 198 (T): H 7.796 7.796 7.955 -0.159 RESID 199 (G): N 103.900 103.900 108.230 -4.330 RESID 199 (G): C 171.800 171.800 172.279 -0.479 RESID 199 (G): CA 43.840 43.840 45.631 -1.791 RESID 199 (G): H 7.928 7.928 7.861 0.067 RESID 200 (M): N 121.400 121.400 119.409 1.991 RESID 200 (M): C 176.200 176.200 176.045 0.155 RESID 200 (M): CA 55.260 55.260 54.835 0.425 RESID 200 (M): CB 33.390 33.390 35.596 -2.206 RESID 200 (M): H 7.971 7.971 8.228 -0.257 RESID 201 (G): N 112.200 112.200 110.360 1.840 RESID 201 (G): C 172.000 172.000 172.658 -0.658 RESID 201 (G): CA 44.540 44.540 44.291 0.249 RESID 201 (G): H 8.818 8.818 8.456 0.362 RESID 202 (L): N 124.700 124.700 124.868 -0.168 RESID 202 (L): C 176.000 176.000 175.928 0.072 RESID 202 (L): CA 53.740 53.740 52.838 0.902 RESID 202 (L): CB 46.010 46.010 46.064 -0.054 RESID 202 (L): H 8.767 8.767 8.670 0.097 RESID 203 (R): N 121.600 121.600 120.086 1.514 RESID 203 (R): C 180.400 180.400 177.911 2.489 RESID 203 (R): CA 57.130 57.130 55.455 1.675 RESID 203 (R): CB 29.650 29.650 31.289 -1.639 RESID 203 (R): H 10.270 10.270 8.128 2.142 RESID 204 (K): N 123.200 123.200 124.393 -1.193 RESID 204 (K): C 178.200 178.200 177.671 0.529 RESID 204 (K): CA 59.570 59.570 59.672 -0.102 RESID 204 (K): CB 31.840 31.840 32.153 -0.313 RESID 204 (K): H 9.231 9.231 8.671 0.560 RESID 205 (E): N 113.800 113.800 117.123 -3.323 RESID 205 (E): C 177.700 177.700 177.892 -0.192 RESID 205 (E): CA 57.230 57.230 58.216 -0.986 RESID 205 (E): CB 27.770 27.770 28.900 -1.130 RESID 205 (E): H 9.026 9.026 8.225 0.801 RESID 206 (D): N 126.000 126.000 120.938 5.062 RESID 206 (D): C 177.300 177.300 176.502 0.798 RESID 206 (D): CA 53.710 53.710 53.669 0.041 RESID 206 (D): CB 37.530 37.530 38.703 -1.173 RESID 206 (D): H 7.253 7.253 8.021 -0.768 RESID 207 (N): N 120.100 120.100 120.440 -0.340 RESID 207 (N): C 176.900 176.900 177.026 -0.126 RESID 207 (N): CA 56.950 56.950 56.482 0.468 RESID 207 (N): CB 38.820 38.820 38.900 -0.080 RESID 207 (N): H 7.839 7.839 8.725 -0.886 RESID 208 (E): N 120.500 120.500 118.919 1.581 RESID 208 (E): C 179.900 179.900 178.480 1.420 RESID 208 (E): CA 59.870 59.870 58.976 0.894 RESID 208 (E): CB 27.630 27.630 29.439 -1.808 RESID 208 (E): H 8.776 8.776 8.339 0.437 RESID 209 (L): N 122.900 122.900 120.450 2.450 RESID 209 (L): C 177.100 177.100 178.210 -1.110 RESID 209 (L): CA 57.400 57.400 57.540 -0.140 RESID 209 (L): CB 40.660 40.660 41.836 -1.176 RESID 209 (L): H 8.366 8.366 7.854 0.512 RESID 210 (R): N 119.100 119.100 118.772 0.328 RESID 210 (R): C 177.400 177.400 178.221 -0.821 RESID 210 (R): CA 59.970 59.970 59.747 0.223 RESID 210 (R): CB 30.110 30.110 30.025 0.085 RESID 210 (R): H 7.582 7.582 8.326 -0.744 RESID 211 (E): N 116.200 116.200 119.251 -3.051 RESID 211 (E): C 179.800 179.800 178.530 1.270 RESID 211 (E): CA 59.150 59.150 59.265 -0.115 RESID 211 (E): CB 28.600 28.600 29.593 -0.993 RESID 211 (E): H 8.407 8.407 7.880 0.527 RESID 212 (A): N 123.500 123.500 122.692 0.808 RESID 212 (A): C 181.300 181.300 179.658 1.642 RESID 212 (A): CA 54.810 54.810 54.727 0.083 RESID 212 (A): CB 17.170 17.170 18.134 -0.964 RESID 212 (A): H 8.128 8.128 7.634 0.494 RESID 213 (L): N 121.200 121.200 119.597 1.603 RESID 213 (L): C 178.400 178.400 179.620 -1.220 RESID 213 (L): CA 57.710 57.710 58.195 -0.485 RESID 213 (L): CB 41.450 41.450 41.220 0.230 RESID 213 (L): H 8.364 8.364 8.072 0.292 RESID 214 (N): N 119.200 119.200 116.483 2.717 RESID 214 (N): C 179.700 179.700 177.843 1.857 RESID 214 (N): CA 55.260 55.260 55.874 -0.614 RESID 214 (N): CB 37.120 37.120 37.931 -0.811 RESID 214 (N): H 8.435 8.435 8.343 0.092 RESID 215 (K): N 123.800 123.800 121.344 2.456 RESID 215 (K): C 178.400 178.400 178.518 -0.118 RESID 215 (K): CA 59.090 59.090 59.404 -0.314 RESID 215 (K): CB 31.740 31.740 32.485 -0.745 RESID 215 (K): H 8.080 8.080 8.451 -0.371 RESID 216 (A): N 122.200 122.200 121.757 0.443 RESID 216 (A): C 179.500 179.500 179.508 -0.008 RESID 216 (A): CA 54.140 54.140 54.886 -0.746 RESID 216 (A): CB 18.700 18.700 18.264 0.436 RESID 216 (A): H 7.935 7.935 8.239 -0.304 RESID 217 (F): N 119.500 119.500 120.147 -0.647 RESID 217 (F): C 177.200 177.200 176.979 0.221 RESID 217 (F): CA 61.390 61.390 60.275 1.115 RESID 217 (F): CB 38.000 38.000 39.063 -1.063 RESID 217 (F): H 8.916 8.916 8.325 0.591 RESID 218 (A): N 121.300 121.300 121.212 0.088 RESID 218 (A): C 182.100 182.100 179.671 2.429 RESID 218 (A): CA 54.810 54.810 55.211 -0.401 RESID 218 (A): CB 16.650 16.650 17.984 -1.334 RESID 218 (A): H 7.956 7.956 8.164 -0.208 RESID 219 (E): N 120.000 120.000 119.013 0.987 RESID 219 (E): C 178.600 178.600 179.006 -0.406 RESID 219 (E): CA 59.040 59.040 59.302 -0.262 RESID 219 (E): CB 28.320 28.320 29.479 -1.159 RESID 219 (E): H 7.952 7.952 7.845 0.107 RESID 220 (M): N 120.900 120.900 118.187 2.713 RESID 220 (M): C 179.000 179.000 178.525 0.475 RESID 220 (M): CA 57.430 57.430 59.479 -2.049 RESID 220 (M): CB 32.620 32.620 32.468 0.152 RESID 220 (M): H 8.190 8.190 8.064 0.126 RESID 221 (R): N 119.200 119.200 118.441 0.759 RESID 221 (R): C 179.300 179.300 178.894 0.406 RESID 221 (R): CA 58.710 58.710 58.949 -0.239 RESID 221 (R): CB 27.480 27.480 29.853 -2.373 RESID 221 (R): H 7.762 7.762 7.531 0.231 RESID 222 (A): N 122.500 122.500 122.088 0.412 RESID 222 (A): C 179.300 179.300 178.925 0.375 RESID 222 (A): CA 54.180 54.180 54.628 -0.448 RESID 222 (A): CB 18.030 18.030 18.548 -0.518 RESID 222 (A): H 7.838 7.838 7.753 0.085 RESID 223 (D): N 115.100 115.100 114.656 0.444 RESID 223 (D): C 177.900 177.900 177.256 0.644 RESID 223 (D): CA 53.020 53.020 53.131 -0.111 RESID 223 (D): CB 39.570 39.570 40.445 -0.875 RESID 223 (D): H 8.091 8.091 7.978 0.113 RESID 224 (G): N 106.700 106.700 108.850 -2.150 RESID 224 (G): C 176.000 176.000 176.002 -0.002 RESID 224 (G): CA 45.070 45.070 46.306 -1.236 RESID 224 (G): H 7.199 7.199 7.438 -0.239 RESID 225 (T): N 122.400 122.400 117.128 5.272 RESID 225 (T): C 175.700 175.700 175.305 0.395 RESID 225 (T): CA 67.610 67.610 67.845 -0.235 RESID 225 (T): CB 66.840 66.840 68.760 -1.920 RESID 225 (T): H 9.095 9.095 8.773 0.322 RESID 226 (Y): N 121.500 121.500 121.700 -0.200 RESID 226 (Y): C 176.000 176.000 176.904 -0.904 RESID 226 (Y): CA 62.530 62.530 62.364 0.166 RESID 226 (Y): CB 38.410 38.410 38.332 0.078 RESID 226 (Y): H 8.040 8.040 7.639 0.401 RESID 227 (E): N 118.200 118.200 118.695 -0.495 RESID 227 (E): C 178.200 178.200 178.694 -0.494 RESID 227 (E): CA 58.940 58.940 59.470 -0.530 RESID 227 (E): CB 28.810 28.810 29.120 -0.310 RESID 227 (E): H 8.153 8.153 8.594 -0.441 RESID 228 (K): N 119.100 119.100 120.421 -1.321 RESID 228 (K): C 179.500 179.500 179.054 0.446 RESID 228 (K): CA 59.260 59.260 59.494 -0.234 RESID 228 (K): CB 31.520 31.520 32.417 -0.897 RESID 228 (K): H 7.558 7.558 8.379 -0.821 RESID 229 (L): N 119.100 119.100 119.386 -0.286 RESID 229 (L): C 179.300 179.300 178.830 0.470 RESID 229 (L): CA 56.970 56.970 57.717 -0.747 RESID 229 (L): CB 41.520 41.520 41.852 -0.332 RESID 229 (L): H 8.055 8.055 8.071 -0.016 RESID 230 (A): N 121.200 121.200 122.125 -0.925 RESID 230 (A): C 180.500 180.500 179.261 1.239 RESID 230 (A): CA 54.890 54.890 55.546 -0.656 RESID 230 (A): CB 17.570 17.570 17.745 -0.175 RESID 230 (A): H 8.901 8.901 8.322 0.579 RESID 231 (K): N 117.200 117.200 118.004 -0.804 RESID 231 (K): C 177.700 177.700 178.144 -0.444 RESID 231 (K): CA 57.370 57.370 58.786 -1.416 RESID 231 (K): CB 31.330 31.330 32.361 -1.030 RESID 231 (K): H 8.062 8.062 8.081 -0.019 RESID 232 (K): N 117.600 117.600 116.684 0.916 RESID 232 (K): C 176.800 176.800 179.192 -2.392 RESID 232 (K): CA 57.890 57.890 58.643 -0.753 RESID 232 (K): CB 31.150 31.150 32.562 -1.412 RESID 232 (K): H 7.053 7.053 7.467 -0.414 RESID 233 (Y): N 114.000 114.000 117.029 -3.029 RESID 233 (Y): C 175.100 175.100 175.784 -0.684 RESID 233 (Y): CA 58.110 58.110 61.231 -3.121 RESID 233 (Y): CB 39.360 39.360 38.953 0.407 RESID 233 (Y): H 7.013 7.013 8.019 -1.006 RESID 234 (F): N 116.400 116.400 113.526 2.874 RESID 234 (F): C 175.800 175.800 173.437 2.363 RESID 234 (F): CA 54.920 54.920 56.690 -1.770 RESID 234 (F): CB 41.260 41.260 42.812 -1.552 RESID 234 (F): H 8.038 8.038 8.190 -0.152 RESID 235 (D): N 123.000 123.000 121.053 1.947 RESID 235 (D): C 174.500 174.500 174.843 -0.343 RESID 235 (D): CA 52.680 52.680 53.332 -0.652 RESID 235 (D): CB 39.860 39.860 39.461 0.399 RESID 235 (D): H 8.879 8.879 8.560 0.319 RESID 236 (F): N 115.500 115.500 120.745 -5.245 RESID 236 (F): C 173.600 173.600 173.641 -0.041 RESID 236 (F): CA 53.950 53.950 56.719 -2.769 RESID 236 (F): CB 39.860 39.860 39.728 0.132 RESID 236 (F): H 6.793 6.793 7.431 -0.638 RESID 237 (D): N 119.700 119.700 121.942 -2.242 RESID 237 (D): C 175.800 175.800 177.127 -1.327 RESID 237 (D): CA 52.980 52.980 52.676 0.304 RESID 237 (D): CB 39.210 39.210 41.872 -2.662 RESID 237 (D): H 8.831 8.831 8.626 0.205 RESID 238 (V): N 129.900 129.900 122.495 7.405 RESID 238 (V): C 175.200 175.200 176.687 -1.487 RESID 238 (V): CA 61.840 61.840 65.073 -3.233 RESID 238 (V): CB 32.500 32.500 31.907 0.593 RESID 238 (V): H 7.376 7.376 8.339 -0.963 RESID 239 (Y): N 123.500 123.500 119.194 4.306 RESID 239 (Y): C 176.500 176.500 178.496 -1.996 RESID 239 (Y): CA 61.920 61.920 61.143 0.777 RESID 239 (Y): CB 38.010 38.010 37.751 0.259 RESID 239 (Y): H 8.314 8.314 7.812 0.502 RESID 240 (G): N 104.100 104.100 104.365 -0.265 RESID 240 (G): C 174.600 174.600 174.910 -0.310 RESID 240 (G): CA 45.930 45.930 45.330 0.600 RESID 240 (G): H 7.428 7.428 8.428 -1.000 N HA C CA CB H RESID 6 (P): ----- ----- -0.723 -0.623 -0.728 ----- RESID 7 (Q): -0.387 ----- -0.439 -0.643 -0.636 -0.307 RESID 8 (N): 2.017 ----- -0.269 -0.642 -1.427 -0.338 RESID 9 (I): -1.624 ----- -0.210 -0.591 -0.577 -0.728 RESID 10 (R): -0.605 ----- 0.327 -1.402 -0.638 0.618 RESID 11 (I): 2.526 ----- 0.481 0.044 -4.085 0.195 RESID 12 (G): 0.427 ----- -1.328 0.241 ----- 0.840 RESID 13 (T): -1.052 ----- 8.522 -0.612 -1.742 0.622 RESID 14 (D): -0.836 ----- 2.766 -0.551 -1.754 -0.494 RESID 15 (P): ----- ----- -0.995 -1.413 -4.502 ----- RESID 16 (T): 5.491 ----- 0.794 -2.475 -1.117 0.458 RESID 17 (Y): 3.922 ----- -0.445 -1.938 0.234 0.900 RESID 18 (A): 2.438 ----- -0.464 -4.581 -0.191 0.019 RESID 19 (P): ----- ----- -4.310 -2.340 0.188 ----- RESID 20 (F): 7.691 ----- 1.603 2.723 -3.078 -0.143 RESID 21 (E): -2.753 ----- -0.837 -0.795 -5.387 -0.762 RESID 22 (S): 4.119 ----- -0.778 -1.295 -1.190 0.456 RESID 23 (K): -2.039 ----- 2.527 -1.631 -1.811 0.007 RESID 24 (N): 1.554 ----- 0.888 -1.158 -1.924 0.026 RESID 25 (S): ----- ----- 0.167 -0.029 -0.186 ----- RESID 26 (Q): -0.270 ----- -0.526 -0.399 -0.427 -0.470 RESID 27 (G): 1.139 ----- -0.367 -0.031 ----- 0.332 RESID 28 (E): 0.519 ----- 0.127 -1.469 -0.839 -0.220 RESID 29 (L): 2.364 ----- 0.400 0.614 -1.680 -0.053 RESID 30 (V): -4.364 ----- 1.840 -1.752 0.195 1.138 RESID 31 (G): -0.220 ----- 0.928 -1.325 ----- 1.089 RESID 32 (F): -2.617 ----- 2.036 -0.887 -0.323 0.170 RESID 33 (D): -2.631 ----- 1.040 -0.407 -1.663 1.581 RESID 34 (I): -0.965 ----- 0.217 -3.826 -4.215 -1.192 RESID 35 (D): 0.684 ----- 1.622 -0.302 0.133 0.736 RESID 36 (L): -0.350 ----- 0.505 -0.070 0.647 1.279 RESID 37 (A): -1.387 ----- -0.989 -0.052 -1.127 0.714 RESID 38 (K): -2.988 ----- 0.983 0.513 -0.554 0.608 RESID 39 (E): 1.996 ----- -1.066 -0.901 -1.512 -0.094 RESID 40 (L): 1.091 ----- -0.106 0.201 -1.510 0.721 RESID 41 (C): -2.685 ----- -1.664 -0.351 21.396 0.065 RESID 42 (K): -0.320 ----- 1.682 -0.632 -0.921 -0.536 RESID 43 (R): 1.544 ----- 0.035 0.308 -0.243 0.425 RESID 44 (I): -5.774 ----- -0.836 -2.143 -1.562 -0.647 RESID 45 (N): 3.117 ----- -0.349 -0.956 0.709 -0.304 RESID 46 (T): 7.033 ----- 0.257 -0.248 -1.377 0.007 RESID 47 (Q): 3.479 ----- 0.827 -0.556 -1.786 -0.325 RESID 48 (C): -0.701 ----- -0.589 -4.733 17.946 0.192 RESID 49 (T): -1.937 ----- 0.146 -1.044 -0.082 -0.487 RESID 50 (F): -2.162 ----- -0.148 -0.000 0.449 0.350 RESID 51 (V): 2.541 ----- -0.029 -0.012 -1.696 0.187 RESID 52 (E): -2.051 ----- 1.659 -2.776 -1.056 -0.153 RESID 53 (N): 6.373 ----- -1.812 -0.217 5.644 0.682 RESID 54 (P): ----- ----- -0.158 -0.706 -1.433 ----- RESID 55 (L): 0.077 ----- 0.878 -1.094 0.082 0.319 RESID 56 (D): -3.593 ----- -0.818 -0.781 -0.541 0.114 RESID 57 (A): 0.498 ----- 1.041 -2.163 -0.473 -0.223 RESID 58 (L): 1.136 ----- -0.968 0.848 -1.773 -0.320 RESID 59 (I): 0.102 ----- 1.282 1.647 -0.725 1.383 RESID 60 (P): ----- ----- 0.879 -0.648 -1.274 ----- RESID 61 (S): -0.081 ----- -1.166 0.252 ----- -0.329 RESID 62 (L): 3.072 ----- 2.032 -0.298 0.053 0.244 RESID 63 (K): 1.927 ----- 0.081 0.322 -1.703 0.664 RESID 64 (A): 0.029 ----- -0.478 -0.305 -0.447 -0.293 RESID 65 (K): -1.788 ----- -0.482 -0.194 -2.179 0.057 RESID 66 (K): 2.866 ----- -0.530 -1.270 -0.838 0.635 RESID 67 (I): -5.020 ----- -1.402 0.001 -0.563 -0.210 RESID 68 (D): -3.048 ----- -3.578 0.163 1.627 1.167 RESID 69 (A): -0.748 ----- 1.050 -1.033 -0.195 0.020 RESID 70 (I): -0.345 ----- 0.068 -0.592 0.219 1.350 RESID 71 (M): -0.672 ----- -1.516 -2.004 -0.204 0.137 RESID 72 (S): 1.198 ----- -0.952 0.983 -0.585 0.033 RESID 73 (S): 4.320 ----- -0.094 -1.181 0.118 -0.034 RESID 74 (L): -2.934 ----- -0.544 -1.117 -0.339 0.991 RESID 75 (S): 2.214 ----- 0.828 2.343 -1.718 0.276 RESID 76 (I): 9.576 ----- 0.938 1.747 -3.875 0.085 RESID 77 (T): 3.066 ----- -0.272 -2.216 -0.743 -1.019 RESID 78 (E): -0.410 ----- 1.624 -1.723 -0.643 0.026 RESID 79 (K): 0.066 ----- 1.571 -0.294 -0.689 0.055 RESID 80 (R): -0.357 ----- 0.141 0.361 0.315 0.276 RESID 81 (Q): -0.648 ----- -2.385 -1.507 0.338 0.125 RESID 82 (Q): -2.589 ----- -0.403 -1.133 -0.531 -0.668 RESID 83 (E): -2.145 ----- -0.900 -1.419 1.887 -0.306 RESID 84 (I): 3.218 ----- -1.337 0.483 -0.695 0.300 RESID 85 (A): 0.207 ----- -0.267 -1.131 0.871 0.287 RESID 86 (F): -3.641 ----- 2.978 -1.066 0.263 -0.336 RESID 87 (T): -6.776 ----- 0.912 0.773 2.642 -0.494 RESID 88 (D): -2.021 ----- -1.331 -0.750 1.054 -0.019 RESID 89 (K): 1.462 ----- -0.511 -1.705 0.316 -0.029 RESID 90 (L): -2.972 ----- 0.263 -2.867 -1.594 0.019 RESID 91 (Y): 0.498 ----- -1.072 0.519 -2.881 -0.379 RESID 92 (A): 0.556 ----- -1.167 0.852 0.699 -0.967 RESID 93 (A): -0.752 ----- -0.968 0.343 -0.061 0.271 RESID 94 (D): 1.141 ----- -0.828 -1.224 -0.235 0.757 RESID 95 (S): -1.943 ----- -1.483 0.462 -0.124 -1.040 RESID 96 (R): 4.532 ----- -0.149 1.556 -0.290 0.391 RESID 97 (L): -1.043 ----- 1.665 0.359 -1.749 1.292 RESID 98 (V): 1.232 ----- 0.675 0.891 0.642 1.522 RESID 99 (V): -3.820 ----- 0.642 -0.643 1.020 1.107 RESID 100 (A): 0.885 ----- 0.841 2.036 -1.904 0.621 RESID 101 (K): -4.012 ----- -0.231 0.386 -0.514 -1.074 RESID 102 (N): -1.144 ----- 0.256 -2.310 -1.612 -0.255 RESID 103 (S): 0.123 ----- 2.710 0.679 0.403 0.112 RESID 104 (D): -0.783 ----- 1.527 -1.013 -0.543 0.008 RESID 105 (I): -2.016 ----- -0.831 3.031 -3.023 -0.365 RESID 106 (Q): -0.452 ----- 0.858 -0.705 1.201 -0.316 RESID 107 (P): ----- ----- -0.493 -1.770 -4.142 ----- RESID 108 (T): -3.077 ----- -0.383 -3.932 -0.963 0.854 RESID 109 (V): -1.420 ----- 0.362 0.845 -2.188 0.293 RESID 110 (E): -3.907 ----- -0.275 -0.871 -0.879 0.025 RESID 111 (S): -0.210 ----- 0.588 -1.614 1.220 -1.055 RESID 112 (L): -4.321 ----- 0.020 -0.774 0.090 0.348 RESID 113 (K): 1.797 ----- 0.692 0.620 -1.408 -0.279 RESID 114 (G): 0.991 ----- -0.593 -0.118 ----- 0.098 RESID 115 (K): -1.103 ----- -1.302 -1.033 -1.308 0.662 RESID 116 (R): -1.499 ----- 0.584 -1.014 0.508 0.976 RESID 117 (V): 2.816 ----- 0.337 -0.145 -1.907 0.625 RESID 118 (G): 0.299 ----- -0.227 1.380 ----- 1.292 RESID 119 (V): -5.946 ----- 0.070 -2.183 -0.627 -0.133 RESID 120 (L): 0.242 ----- 1.245 -0.264 -1.422 0.141 RESID 121 (Q): 0.826 ----- -0.340 -0.411 -1.612 0.305 RESID 122 (G): 0.016 ----- 1.542 -0.233 ----- 0.641 RESID 123 (T): -1.693 ----- 2.389 0.257 2.895 -0.517 RESID 124 (T): 1.336 ----- 1.571 -0.717 -0.959 0.274 RESID 125 (Q): -1.796 ----- 0.201 1.916 -2.735 -0.757 RESID 126 (E): 2.124 ----- -1.300 -0.196 -0.910 -0.089 RESID 127 (T): 1.565 ----- -0.170 -0.483 -1.135 0.554 RESID 128 (F): -0.067 ----- 0.463 0.864 -0.107 0.278 RESID 129 (G): -0.104 ----- -0.379 -0.528 ----- -0.251 RESID 130 (N): 4.567 ----- 0.373 0.062 -0.628 0.359 RESID 131 (E): 2.285 ----- 0.807 1.236 -1.418 0.428 RESID 132 (H): -6.031 ----- 0.353 -1.874 0.700 -0.009 RESID 133 (W): 1.869 ----- 0.610 -0.973 0.639 0.162 RESID 134 (A): 0.756 ----- 0.479 0.762 -0.812 1.175 RESID 135 (P): ----- ----- -0.209 0.319 -0.179 ----- RESID 136 (K): -0.448 ----- -1.134 -2.402 -0.589 -0.474 RESID 137 (G): -2.230 ----- 0.780 0.371 ----- 0.196 RESID 138 (I): 5.038 ----- -0.390 0.351 -1.764 -0.590 RESID 139 (E): 1.154 ----- -1.197 0.457 -1.740 -0.104 RESID 140 (I): 7.850 ----- 1.333 -1.921 -6.152 0.285 RESID 141 (V): 7.755 ----- -0.063 -0.097 -3.661 0.445 RESID 142 (S): 2.584 ----- 1.460 0.338 -0.080 0.063 RESID 143 (Y): -2.763 ----- -0.270 -0.456 1.016 -0.285 RESID 144 (Q): -0.613 ----- 1.093 0.584 -1.385 0.232 RESID 145 (G): -0.543 ----- -0.660 -0.015 ----- -0.330 RESID 146 (Q): 1.430 ----- -0.147 -0.996 -0.437 0.090 RESID 147 (D): -0.516 ----- 0.423 -0.202 -0.854 -0.037 RESID 148 (N): -0.368 ----- -0.560 -0.557 0.579 -1.040 RESID 149 (I): 0.261 ----- -0.168 -0.534 -1.733 -0.291 RESID 150 (Y): -0.671 ----- 0.643 -1.906 -1.732 -0.510 RESID 151 (S): 1.986 ----- -0.057 -0.588 -0.306 -0.062 RESID 152 (D): -1.127 ----- 0.627 -0.302 -2.112 -0.179 RESID 153 (L): 2.937 ----- 1.770 0.626 -0.189 0.508 RESID 154 (T): -1.524 ----- 1.366 -1.440 -0.323 0.075 RESID 155 (A): 1.698 ----- 0.167 -0.677 -0.494 0.369 RESID 156 (G): 0.670 ----- -0.248 0.243 ----- -0.092 RESID 157 (R): -0.174 ----- 0.873 -0.326 -0.367 0.309 RESID 158 (I): -3.938 ----- -0.592 0.686 -0.998 -0.009 RESID 159 (D): -4.670 ----- -0.957 -0.408 1.909 0.265 RESID 160 (A): -0.061 ----- 0.576 -1.282 1.653 0.536 RESID 161 (A): 1.609 ----- -0.177 -0.540 -0.500 0.927 RESID 162 (F): 2.505 ----- -2.090 -3.721 0.582 0.536 RESID 163 (Q): 1.230 ----- -0.292 -0.089 1.238 -0.422 RESID 164 (D): 1.019 ----- -1.452 1.067 0.323 -0.135 RESID 165 (E): 5.788 ----- -0.409 0.105 0.200 -0.160 RESID 166 (V): 1.268 ----- 1.034 0.123 -0.185 0.563 RESID 167 (A): 3.096 ----- 3.411 0.265 -0.120 0.751 RESID 168 (A): -0.852 ----- 0.080 -0.365 0.329 0.477 RESID 169 (S): -0.872 ----- -0.558 -1.750 0.479 -0.080 RESID 170 (E): -4.673 ----- 1.476 -0.433 0.740 0.971 RESID 171 (G): -1.419 ----- -1.317 -0.283 ----- 0.807 RESID 172 (F): -2.417 ----- -2.489 -0.451 1.653 -1.020 RESID 173 (L): 0.090 ----- 0.710 0.818 -1.813 0.948 RESID 174 (K): -1.865 ----- 0.518 -0.852 -0.900 0.476 RESID 175 (Q): 1.689 ----- 2.049 0.283 -3.083 -0.123 RESID 176 (P): ----- ----- 1.958 0.668 -0.814 ----- RESID 177 (V): -4.976 ----- -2.002 -3.092 0.082 -0.205 RESID 178 (G): 3.951 ----- 0.209 -2.158 ----- -0.731 RESID 179 (K): 1.797 ----- -0.552 -0.098 -1.028 -0.447 RESID 180 (D): -0.070 ----- -1.963 -1.963 -1.669 0.586 RESID 181 (Y): 5.545 ----- -1.182 0.142 -0.502 0.323 RESID 182 (K): -1.815 ----- 0.623 -2.128 2.289 0.652 RESID 183 (F): -4.290 ----- 2.806 -1.307 -4.517 0.609 RESID 184 (G): 4.328 ----- -1.403 1.878 ----- 0.260 RESID 185 (G): 0.784 ----- -1.806 -1.038 ----- -0.775 RESID 186 (P): ----- ----- -0.691 -2.525 0.785 ----- RESID 187 (S): -6.689 ----- -0.325 0.447 -2.381 0.121 RESID 188 (V): 1.577 ----- 0.272 -0.571 -2.001 1.236 RESID 189 (K): 2.717 ----- 2.612 -1.502 -0.940 -0.009 RESID 190 (D): -1.808 ----- -1.584 2.198 2.181 0.533 RESID 191 (E): 2.489 ----- -0.298 0.850 -1.112 0.385 RESID 192 (K): -1.283 ----- 0.154 -0.788 -0.444 -0.850 RESID 193 (L): 0.277 ----- -0.028 -1.177 0.277 1.214 RESID 194 (F): 3.337 ----- 2.356 -2.744 -2.566 0.746 RESID 195 (G): -1.942 ----- -0.357 -0.774 ----- -0.146 RESID 196 (V): -11.449 ----- -0.525 -3.301 -1.524 -0.270 RESID 197 (G): 2.948 ----- 0.288 -2.053 ----- 0.534 RESID 198 (T): -4.137 ----- -0.355 -0.254 -0.240 -0.159 RESID 199 (G): -4.330 ----- -0.479 -1.791 ----- 0.067 RESID 200 (M): 1.991 ----- 0.155 0.425 -2.206 -0.257 RESID 201 (G): 1.840 ----- -0.658 0.249 ----- 0.362 RESID 202 (L): -0.168 ----- 0.072 0.902 -0.054 0.097 RESID 203 (R): 1.514 ----- 2.489 1.675 -1.639 2.142 RESID 204 (K): -1.193 ----- 0.529 -0.102 -0.313 0.560 RESID 205 (E): -3.323 ----- -0.192 -0.986 -1.130 0.801 RESID 206 (D): 5.062 ----- 0.798 0.041 -1.173 -0.768 RESID 207 (N): -0.340 ----- -0.126 0.468 -0.080 -0.886 RESID 208 (E): 1.581 ----- 1.420 0.894 -1.808 0.437 RESID 209 (L): 2.450 ----- -1.110 -0.140 -1.176 0.512 RESID 210 (R): 0.328 ----- -0.821 0.223 0.085 -0.744 RESID 211 (E): -3.051 ----- 1.270 -0.115 -0.993 0.527 RESID 212 (A): 0.808 ----- 1.642 0.083 -0.964 0.494 RESID 213 (L): 1.603 ----- -1.220 -0.485 0.230 0.292 RESID 214 (N): 2.717 ----- 1.857 -0.614 -0.811 0.092 RESID 215 (K): 2.456 ----- -0.118 -0.314 -0.745 -0.371 RESID 216 (A): 0.443 ----- -0.008 -0.746 0.436 -0.304 RESID 217 (F): -0.647 ----- 0.221 1.115 -1.063 0.591 RESID 218 (A): 0.088 ----- 2.429 -0.401 -1.334 -0.208 RESID 219 (E): 0.987 ----- -0.406 -0.262 -1.159 0.107 RESID 220 (M): 2.713 ----- 0.475 -2.049 0.152 0.126 RESID 221 (R): 0.759 ----- 0.406 -0.239 -2.373 0.231 RESID 222 (A): 0.412 ----- 0.375 -0.448 -0.518 0.085 RESID 223 (D): 0.444 ----- 0.644 -0.111 -0.875 0.113 RESID 224 (G): -2.150 ----- -0.002 -1.236 ----- -0.239 RESID 225 (T): 5.272 ----- 0.395 -0.235 -1.920 0.322 RESID 226 (Y): -0.200 ----- -0.904 0.166 0.078 0.401 RESID 227 (E): -0.495 ----- -0.494 -0.530 -0.310 -0.441 RESID 228 (K): -1.321 ----- 0.446 -0.234 -0.897 -0.821 RESID 229 (L): -0.286 ----- 0.470 -0.747 -0.332 -0.016 RESID 230 (A): -0.925 ----- 1.239 -0.656 -0.175 0.579 RESID 231 (K): -0.804 ----- -0.444 -1.416 -1.030 -0.019 RESID 232 (K): 0.916 ----- -2.392 -0.753 -1.412 -0.414 RESID 233 (Y): -3.029 ----- -0.684 -3.121 0.407 -1.006 RESID 234 (F): 2.874 ----- 2.363 -1.770 -1.552 -0.152 RESID 235 (D): 1.947 ----- -0.343 -0.652 0.399 0.319 RESID 236 (F): -5.245 ----- -0.041 -2.769 0.132 -0.638 RESID 237 (D): -2.242 ----- -1.327 0.304 -2.662 0.205 RESID 238 (V): 7.405 ----- -1.487 -3.233 0.593 -0.963 RESID 239 (Y): 4.306 ----- -1.996 0.777 0.259 0.502 RESID 240 (G): -0.265 ----- -0.310 0.600 ----- -1.000 DATA CS_STAT_INFO N RMS: 2.893 ppm Count: 226 Average Difference: -0.142 +/- 2.896 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.289 ppm Count: 236 Average Difference: -0.112 +/- 1.287 ppm DATA CS_STAT_INFO CA RMS: 1.334 ppm Count: 236 Average Difference: 0.534 +/- 1.225 ppm DATA CS_STAT_INFO CB RMS: 2.461 ppm Count: 215 Average Difference: 0.519 +/- 2.411 ppm DATA CS_STAT_INFO HN RMS: 0.589 ppm Count: 226 Average Difference: -0.121 +/- 0.578 ppm ############################################################################ For conformer 3: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.189 0.111 RESID 5 (I): C 174.300 174.300 174.356 -0.056 RESID 5 (I): CA 57.710 57.710 59.798 -2.088 RESID 5 (I): CB 37.260 37.260 37.747 -0.487 RESID 5 (I): H 7.868 7.868 8.237 -0.369 RESID 6 (P): C 176.100 176.100 176.813 -0.713 RESID 6 (P): CA 62.180 62.180 62.798 -0.619 RESID 6 (P): CB 31.620 31.620 32.348 -0.728 RESID 7 (Q): N 119.200 119.200 119.564 -0.364 RESID 7 (Q): C 175.600 175.600 176.002 -0.402 RESID 7 (Q): CA 57.190 57.190 57.852 -0.662 RESID 7 (Q): CB 28.500 28.500 29.140 -0.640 RESID 7 (Q): H 8.380 8.380 8.682 -0.302 RESID 8 (N): N 116.300 116.300 114.446 1.854 RESID 8 (N): C 173.600 173.600 173.892 -0.292 RESID 8 (N): CA 51.720 51.720 52.391 -0.671 RESID 8 (N): CB 40.540 40.540 41.834 -1.294 RESID 8 (N): H 7.472 7.472 7.805 -0.333 RESID 9 (I): N 121.000 121.000 123.433 -2.433 RESID 9 (I): C 174.700 174.700 174.876 -0.176 RESID 9 (I): CA 59.480 59.480 60.203 -0.723 RESID 9 (I): CB 39.740 39.740 39.588 0.152 RESID 9 (I): H 8.416 8.416 9.151 -0.735 RESID 10 (R): N 126.500 126.500 127.809 -1.309 RESID 10 (R): C 175.800 175.800 175.053 0.747 RESID 10 (R): CA 53.950 53.950 55.742 -1.792 RESID 10 (R): CB 30.670 30.670 30.904 -0.234 RESID 10 (R): H 9.098 9.098 8.660 0.438 RESID 11 (I): N 127.500 127.500 124.252 3.248 RESID 11 (I): C 175.600 175.600 175.275 0.325 RESID 11 (I): CA 59.480 59.480 59.367 0.113 RESID 11 (I): CB 37.460 37.460 41.446 -3.986 RESID 11 (I): H 9.279 9.279 8.998 0.281 RESID 12 (G): N 114.800 114.800 114.363 0.437 RESID 12 (G): C 171.700 171.700 172.974 -1.274 RESID 12 (G): CA 44.540 44.540 44.280 0.260 RESID 12 (G): H 9.382 9.382 8.593 0.789 RESID 13 (T): N 120.600 120.600 121.587 -0.987 RESID 13 (T): C 181.600 181.600 173.037 8.563 RESID 13 (T): CA 61.470 61.470 62.068 -0.598 RESID 13 (T): CB 69.970 69.970 71.817 -1.847 RESID 13 (T): H 8.594 8.594 7.980 0.614 RESID 14 (D): N 127.000 127.000 127.726 -0.726 RESID 14 (D): C 177.500 177.500 174.745 2.755 RESID 14 (D): CA 49.760 49.760 50.312 -0.552 RESID 14 (D): CB 40.580 40.580 42.295 -1.715 RESID 14 (D): H 8.200 8.200 8.693 -0.493 RESID 15 (P): C 175.400 175.400 176.466 -1.066 RESID 15 (P): CA 61.920 61.920 63.315 -1.395 RESID 15 (P): CB 27.890 27.890 32.400 -4.510 RESID 16 (T): N 116.200 116.200 110.622 5.578 RESID 16 (T): C 174.000 174.000 173.226 0.774 RESID 16 (T): CA 59.560 59.560 62.013 -2.453 RESID 16 (T): CB 68.650 68.650 69.836 -1.186 RESID 16 (T): H 8.739 8.739 8.274 0.465 RESID 17 (Y): N 125.800 125.800 121.925 3.875 RESID 17 (Y): C 175.200 175.200 175.657 -0.457 RESID 17 (Y): CA 54.180 54.180 56.097 -1.917 RESID 17 (Y): CB 38.700 38.700 38.428 0.272 RESID 17 (Y): H 8.943 8.943 8.049 0.894 RESID 18 (A): N 132.100 132.100 129.682 2.418 RESID 18 (A): C 176.000 176.000 176.452 -0.452 RESID 18 (A): CA 51.490 51.490 56.072 -4.582 RESID 18 (A): CB 16.070 16.070 16.251 -0.181 RESID 18 (A): H 8.945 8.945 8.925 0.020 RESID 19 (P): C 173.500 173.500 177.798 -4.298 RESID 19 (P): CA 62.890 62.890 65.235 -2.345 RESID 19 (P): CB 31.790 31.790 31.588 0.202 RESID 20 (F): N 125.100 125.100 117.365 7.735 RESID 20 (F): C 176.700 176.700 175.114 1.586 RESID 20 (F): CA 62.420 62.420 59.726 2.694 RESID 20 (F): CB 37.980 37.980 41.032 -3.052 RESID 20 (F): H 8.117 8.117 8.234 -0.117 RESID 21 (E): N 111.800 111.800 114.500 -2.700 RESID 21 (E): C 173.600 173.600 174.433 -0.833 RESID 21 (E): CA 54.400 54.400 55.229 -0.829 RESID 21 (E): CB 28.770 28.770 34.142 -5.372 RESID 21 (E): H 7.701 7.701 8.494 -0.793 RESID 22 (S): N 117.200 117.200 113.134 4.066 RESID 22 (S): C 171.500 171.500 172.278 -0.778 RESID 22 (S): CA 57.290 57.290 58.561 -1.271 RESID 22 (S): CB 62.940 62.940 64.162 -1.222 RESID 22 (S): H 8.750 8.750 8.310 0.440 RESID 23 (K): N 117.400 117.400 119.268 -1.868 RESID 23 (K): C 177.600 177.600 174.997 2.603 RESID 23 (K): CA 53.700 53.700 55.366 -1.666 RESID 23 (K): CB 33.330 33.330 35.141 -1.811 RESID 23 (K): H 8.238 8.238 8.232 0.006 RESID 24 (N): N 122.400 122.400 120.795 1.605 RESID 24 (N): C 178.000 178.000 176.948 1.052 RESID 24 (N): CA 50.600 50.600 51.890 -1.290 RESID 24 (N): CB 38.140 38.140 40.016 -1.876 RESID 24 (N): H 8.584 8.584 8.517 0.067 RESID 25 (S): C 175.400 175.400 175.424 -0.024 RESID 25 (S): CA 60.970 60.970 60.962 0.008 RESID 25 (S): CB 62.410 62.410 62.598 -0.188 RESID 26 (Q): N 119.300 119.300 119.483 -0.183 RESID 26 (Q): C 176.200 176.200 176.774 -0.574 RESID 26 (Q): CA 55.180 55.180 55.593 -0.413 RESID 26 (Q): CB 28.260 28.260 28.733 -0.473 RESID 26 (Q): H 7.520 7.520 7.883 -0.363 RESID 27 (G): N 108.800 108.800 107.671 1.129 RESID 27 (G): C 173.700 173.700 174.065 -0.365 RESID 27 (G): CA 45.050 45.050 45.045 0.005 RESID 27 (G): H 8.169 8.169 7.913 0.256 RESID 28 (E): N 121.200 121.200 120.723 0.477 RESID 28 (E): C 175.800 175.800 175.607 0.193 RESID 28 (E): CA 54.490 54.490 55.901 -1.411 RESID 28 (E): CB 29.750 29.750 30.633 -0.883 RESID 28 (E): H 7.836 7.836 8.045 -0.209 RESID 29 (L): N 123.500 123.500 121.057 2.443 RESID 29 (L): C 176.400 176.400 175.902 0.498 RESID 29 (L): CA 54.310 54.310 53.732 0.578 RESID 29 (L): CB 41.180 41.180 42.753 -1.573 RESID 29 (L): H 8.281 8.281 8.333 -0.052 RESID 30 (V): N 118.200 118.200 122.631 -4.431 RESID 30 (V): C 175.300 175.300 173.585 1.715 RESID 30 (V): CA 58.360 58.360 60.095 -1.735 RESID 30 (V): CB 36.080 36.080 35.976 0.104 RESID 30 (V): H 8.900 8.900 7.911 0.989 RESID 31 (G): N 109.800 109.800 110.506 -0.706 RESID 31 (G): C 174.400 174.400 173.523 0.877 RESID 31 (G): CA 43.830 43.830 45.227 -1.397 RESID 31 (G): H 8.611 8.611 7.502 1.109 RESID 32 (F): N 119.900 119.900 122.765 -2.865 RESID 32 (F): C 177.900 177.900 175.980 1.920 RESID 32 (F): CA 59.800 59.800 60.112 -0.312 RESID 32 (F): CB 38.950 38.950 39.270 -0.320 RESID 32 (F): H 8.295 8.295 8.238 0.057 RESID 33 (D): N 116.500 116.500 119.088 -2.588 RESID 33 (D): C 179.100 179.100 178.029 1.071 RESID 33 (D): CA 56.180 56.180 56.553 -0.373 RESID 33 (D): CB 38.610 38.610 40.218 -1.608 RESID 33 (D): H 8.935 8.935 7.204 1.731 RESID 34 (I): N 118.800 118.800 119.637 -0.837 RESID 34 (I): C 178.000 178.000 177.726 0.274 RESID 34 (I): CA 60.950 60.950 64.759 -3.809 RESID 34 (I): CB 33.620 33.620 37.803 -4.183 RESID 34 (I): H 6.535 6.535 7.730 -1.195 RESID 35 (D): N 121.000 121.000 120.373 0.627 RESID 35 (D): C 180.300 180.300 178.678 1.622 RESID 35 (D): CA 57.100 57.100 57.407 -0.307 RESID 35 (D): CB 40.420 40.420 40.303 0.116 RESID 35 (D): H 8.536 8.536 7.784 0.752 RESID 36 (L): N 120.500 120.500 120.934 -0.434 RESID 36 (L): C 178.500 178.500 177.982 0.518 RESID 36 (L): CA 57.720 57.720 57.815 -0.095 RESID 36 (L): CB 42.230 42.230 41.567 0.663 RESID 36 (L): H 8.508 8.508 7.219 1.289 RESID 37 (A): N 120.200 120.200 121.829 -1.629 RESID 37 (A): C 178.600 178.600 179.515 -0.915 RESID 37 (A): CA 55.170 55.170 55.331 -0.161 RESID 37 (A): CB 17.340 17.340 18.420 -1.080 RESID 37 (A): H 8.383 8.383 7.645 0.738 RESID 38 (K): N 116.400 116.400 119.290 -2.890 RESID 38 (K): C 180.100 180.100 179.163 0.937 RESID 38 (K): CA 60.530 60.530 60.017 0.513 RESID 38 (K): CB 31.840 31.840 32.339 -0.499 RESID 38 (K): H 8.780 8.780 8.124 0.656 RESID 39 (E): N 121.500 121.500 119.355 2.145 RESID 39 (E): C 178.300 178.300 179.385 -1.085 RESID 39 (E): CA 58.430 58.430 59.340 -0.910 RESID 39 (E): CB 27.990 27.990 29.521 -1.531 RESID 39 (E): H 7.692 7.692 7.806 -0.114 RESID 40 (L): N 121.500 121.500 120.404 1.096 RESID 40 (L): C 178.700 178.700 178.849 -0.149 RESID 40 (L): CA 58.490 58.490 58.287 0.203 RESID 40 (L): CB 40.250 40.250 41.732 -1.482 RESID 40 (L): H 8.563 8.563 7.952 0.611 RESID 41 (C): N 115.700 115.700 118.500 -2.800 RESID 41 (C): C 175.800 175.800 177.488 -1.688 RESID 41 (C): CA 62.390 62.390 62.782 -0.392 RESID 41 (C): CB 46.860 46.860 25.455 21.405 RESID 41 (C): H 8.598 8.598 8.744 -0.146 RESID 42 (K): N 119.300 119.300 119.566 -0.266 RESID 42 (K): C 180.800 180.800 179.161 1.639 RESID 42 (K): CA 58.810 58.810 59.447 -0.637 RESID 42 (K): CB 31.430 31.430 32.353 -0.923 RESID 42 (K): H 7.490 7.490 8.080 -0.590 RESID 43 (R): N 119.500 119.500 118.091 1.409 RESID 43 (R): C 178.700 178.700 178.672 0.028 RESID 43 (R): CA 58.760 58.760 58.469 0.291 RESID 43 (R): CB 29.980 29.980 30.221 -0.241 RESID 43 (R): H 8.057 8.057 7.563 0.494 RESID 44 (I): N 111.800 111.800 117.545 -5.745 RESID 44 (I): C 175.000 175.000 175.827 -0.827 RESID 44 (I): CA 60.940 60.940 63.106 -2.166 RESID 44 (I): CB 36.630 36.630 38.172 -1.542 RESID 44 (I): H 7.765 7.765 8.463 -0.698 RESID 45 (N): N 118.800 118.800 115.692 3.108 RESID 45 (N): C 173.600 173.600 173.942 -0.342 RESID 45 (N): CA 53.670 53.670 54.623 -0.953 RESID 45 (N): CB 36.620 36.620 35.912 0.708 RESID 45 (N): H 7.752 7.752 8.037 -0.285 RESID 46 (T): N 112.800 112.800 105.659 7.141 RESID 46 (T): C 173.100 173.100 172.807 0.293 RESID 46 (T): CA 60.020 60.020 60.319 -0.299 RESID 46 (T): CB 70.500 70.500 71.823 -1.323 RESID 46 (T): H 7.920 7.920 7.944 -0.024 RESID 47 (Q): N 123.500 123.500 119.952 3.548 RESID 47 (Q): C 175.400 175.400 174.582 0.818 RESID 47 (Q): CA 54.550 54.550 55.072 -0.522 RESID 47 (Q): CB 28.670 28.670 30.575 -1.905 RESID 47 (Q): H 8.037 8.037 8.305 -0.268 RESID 48 (C): N 123.800 123.800 124.280 -0.480 RESID 48 (C): C 173.800 173.800 174.470 -0.670 RESID 48 (C): CA 53.170 53.170 57.804 -4.634 RESID 48 (C): CB 47.290 47.290 29.409 17.881 RESID 48 (C): H 8.881 8.881 8.678 0.203 RESID 49 (T): N 118.600 118.600 120.658 -2.058 RESID 49 (T): C 172.700 172.700 172.554 0.146 RESID 49 (T): CA 60.210 60.210 61.244 -1.034 RESID 49 (T): CB 70.980 70.980 71.021 -0.041 RESID 49 (T): H 8.324 8.324 8.830 -0.506 RESID 50 (F): N 123.800 123.800 126.013 -2.213 RESID 50 (F): C 175.800 175.800 175.922 -0.122 RESID 50 (F): CA 57.370 57.370 57.416 -0.046 RESID 50 (F): CB 40.730 40.730 40.233 0.497 RESID 50 (F): H 8.982 8.982 8.640 0.342 RESID 51 (V): N 126.300 126.300 123.862 2.438 RESID 51 (V): C 174.700 174.700 174.739 -0.039 RESID 51 (V): CA 60.650 60.650 60.669 -0.019 RESID 51 (V): CB 33.700 33.700 35.336 -1.636 RESID 51 (V): H 9.271 9.271 9.054 0.217 RESID 52 (E): N 126.900 126.900 129.053 -2.153 RESID 52 (E): C 176.900 176.900 175.247 1.653 RESID 52 (E): CA 54.480 54.480 57.239 -2.759 RESID 52 (E): CB 29.350 29.350 30.381 -1.031 RESID 52 (E): H 8.617 8.617 8.770 -0.153 RESID 53 (N): N 127.100 127.100 120.912 6.188 RESID 53 (N): C 170.600 170.600 172.406 -1.806 RESID 53 (N): CA 51.220 51.220 51.399 -0.179 RESID 53 (N): CB 43.980 43.980 38.364 5.615 RESID 53 (N): H 8.917 8.917 8.232 0.685 RESID 54 (P): C 178.600 178.600 178.799 -0.199 RESID 54 (P): CA 61.650 61.650 62.365 -0.715 RESID 54 (P): CB 31.460 31.460 32.890 -1.430 RESID 55 (L): N 124.200 124.200 124.231 -0.031 RESID 55 (L): C 179.600 179.600 178.714 0.886 RESID 55 (L): CA 58.130 58.130 59.215 -1.085 RESID 55 (L): CB 41.470 41.470 41.370 0.100 RESID 55 (L): H 9.096 9.096 8.806 0.290 RESID 56 (D): N 115.400 115.400 119.002 -3.602 RESID 56 (D): C 176.500 176.500 177.322 -0.822 RESID 56 (D): CA 56.080 56.080 56.851 -0.771 RESID 56 (D): CB 39.640 39.640 40.180 -0.540 RESID 56 (D): H 8.651 8.651 8.530 0.121 RESID 57 (A): N 120.400 120.400 119.938 0.462 RESID 57 (A): C 180.000 180.000 178.951 1.049 RESID 57 (A): CA 51.440 51.440 53.622 -2.182 RESID 57 (A): CB 19.170 19.170 19.637 -0.467 RESID 57 (A): H 8.079 8.079 8.337 -0.258 RESID 58 (L): N 122.300 122.300 121.144 1.156 RESID 58 (L): C 177.800 177.800 178.749 -0.949 RESID 58 (L): CA 58.960 58.960 58.099 0.861 RESID 58 (L): CB 40.150 40.150 41.895 -1.746 RESID 58 (L): H 7.783 7.783 8.033 -0.250 RESID 59 (I): N 119.600 119.600 119.566 0.034 RESID 59 (I): C 176.400 176.400 175.179 1.221 RESID 59 (I): CA 68.170 68.170 65.935 2.235 RESID 59 (I): CB 33.980 33.980 34.578 -0.598 RESID 59 (I): H 9.094 9.094 7.720 1.374 RESID 60 (P): C 180.100 180.100 179.267 0.833 RESID 60 (P): CA 65.890 65.890 66.507 -0.617 RESID 60 (P): CB 29.980 29.980 31.249 -1.269 RESID 61 (S): N 114.800 114.800 114.952 -0.152 RESID 61 (S): C 175.500 175.500 176.683 -1.183 RESID 61 (S): CA 62.170 62.170 61.853 0.317 RESID 61 (S): H 7.865 7.865 8.217 -0.352 RESID 62 (L): N 126.200 126.200 123.084 3.116 RESID 62 (L): C 181.000 181.000 179.037 1.963 RESID 62 (L): CA 57.400 57.400 57.743 -0.343 RESID 62 (L): CB 41.820 41.820 41.812 0.008 RESID 62 (L): H 8.296 8.296 8.106 0.190 RESID 63 (K): N 121.000 121.000 119.146 1.854 RESID 63 (K): C 178.000 178.000 178.243 -0.243 RESID 63 (K): CA 59.500 59.500 59.264 0.235 RESID 63 (K): CB 30.770 30.770 32.463 -1.693 RESID 63 (K): H 8.461 8.461 7.743 0.718 RESID 64 (A): N 118.700 118.700 118.523 0.177 RESID 64 (A): C 176.200 176.200 176.658 -0.458 RESID 64 (A): CA 51.680 51.680 51.911 -0.231 RESID 64 (A): CB 18.140 18.140 18.443 -0.303 RESID 64 (A): H 7.686 7.686 7.979 -0.293 RESID 65 (K): N 112.200 112.200 114.004 -1.804 RESID 65 (K): C 176.000 176.000 176.459 -0.459 RESID 65 (K): CA 57.800 57.800 57.971 -0.171 RESID 65 (K): CB 27.730 27.730 29.888 -2.158 RESID 65 (K): H 7.751 7.751 7.700 0.051 RESID 66 (K): N 118.300 118.300 115.431 2.869 RESID 66 (K): C 176.600 176.600 177.151 -0.551 RESID 66 (K): CA 57.200 57.200 58.471 -1.271 RESID 66 (K): CB 32.170 32.170 33.013 -0.843 RESID 66 (K): H 8.415 8.415 7.825 0.590 RESID 67 (I): N 107.500 107.500 112.660 -5.160 RESID 67 (I): C 174.000 174.000 175.411 -1.411 RESID 67 (I): CA 59.050 59.050 59.068 -0.018 RESID 67 (I): CB 40.470 40.470 41.001 -0.531 RESID 67 (I): H 7.034 7.034 7.263 -0.229 RESID 68 (D): N 119.000 119.000 122.516 -3.516 RESID 68 (D): C 172.200 172.200 175.955 -3.755 RESID 68 (D): CA 55.560 55.560 55.333 0.227 RESID 68 (D): CB 44.210 44.210 42.492 1.718 RESID 68 (D): H 9.739 9.739 8.472 1.267 RESID 69 (A): N 117.400 117.400 118.338 -0.938 RESID 69 (A): C 175.900 175.900 174.818 1.082 RESID 69 (A): CA 50.120 50.120 51.154 -1.034 RESID 69 (A): CB 21.960 21.960 22.179 -0.219 RESID 69 (A): H 7.660 7.660 7.782 -0.122 RESID 70 (I): N 120.500 120.500 120.932 -0.432 RESID 70 (I): C 174.500 174.500 174.512 -0.012 RESID 70 (I): CA 60.060 60.060 60.618 -0.558 RESID 70 (I): CB 41.190 41.190 40.927 0.263 RESID 70 (I): H 9.402 9.402 8.124 1.278 RESID 71 (M): N 128.300 128.300 129.288 -0.988 RESID 71 (M): C 172.500 172.500 173.722 -1.222 RESID 71 (M): CA 53.040 53.040 55.052 -2.012 RESID 71 (M): CB 33.940 33.940 34.232 -0.292 RESID 71 (M): H 8.431 8.431 8.217 0.214 RESID 72 (S): N 122.700 122.700 120.136 2.564 RESID 72 (S): C 172.800 172.800 174.748 -1.948 RESID 72 (S): CA 57.630 57.630 56.540 1.090 RESID 72 (S): CB 64.590 64.590 65.149 -0.559 RESID 72 (S): H 8.717 8.717 8.570 0.147 RESID 73 (S): N 120.600 120.600 115.608 4.992 RESID 73 (S): C 174.900 174.900 174.830 0.070 RESID 73 (S): CA 58.590 58.590 59.643 -1.053 RESID 73 (S): CB 62.920 62.920 62.820 0.100 RESID 73 (S): H 8.570 8.570 8.663 -0.093 RESID 74 (L): N 120.700 120.700 124.318 -3.618 RESID 74 (L): C 175.300 175.300 175.876 -0.576 RESID 74 (L): CA 54.320 54.320 55.650 -1.330 RESID 74 (L): CB 42.350 42.350 42.876 -0.526 RESID 74 (L): H 8.678 8.678 7.359 1.319 RESID 75 (S): N 122.000 122.000 119.749 2.251 RESID 75 (S): C 174.500 174.500 173.694 0.806 RESID 75 (S): CA 59.250 59.250 57.123 2.127 RESID 75 (S): CB 63.060 63.060 64.667 -1.607 RESID 75 (S): H 8.142 8.142 7.871 0.271 RESID 76 (I): N 125.200 125.200 115.789 9.411 RESID 76 (I): C 175.500 175.500 174.598 0.902 RESID 76 (I): CA 61.340 61.340 59.547 1.793 RESID 76 (I): CB 35.790 35.790 39.641 -3.851 RESID 76 (I): H 8.307 8.307 8.281 0.026 RESID 77 (T): N 116.600 116.600 113.486 3.114 RESID 77 (T): C 174.800 174.800 175.088 -0.288 RESID 77 (T): CA 57.760 57.760 59.954 -2.194 RESID 77 (T): CB 71.570 71.570 72.317 -0.747 RESID 77 (T): H 6.513 6.513 7.526 -1.013 RESID 78 (E): N 124.500 124.500 124.881 -0.381 RESID 78 (E): C 179.500 179.500 177.881 1.619 RESID 78 (E): CA 59.140 59.140 60.877 -1.738 RESID 78 (E): CB 28.630 28.630 29.263 -0.633 RESID 78 (E): H 8.935 8.935 8.926 0.009 RESID 79 (K): N 118.400 118.400 118.360 0.040 RESID 79 (K): C 180.600 180.600 179.058 1.542 RESID 79 (K): CA 58.890 58.890 59.192 -0.302 RESID 79 (K): CB 31.610 31.610 32.299 -0.689 RESID 79 (K): H 8.415 8.415 8.362 0.053 RESID 80 (R): N 118.500 118.500 118.852 -0.352 RESID 80 (R): C 179.100 179.100 178.960 0.140 RESID 80 (R): CA 59.580 59.580 59.233 0.347 RESID 80 (R): CB 30.380 30.380 30.092 0.288 RESID 80 (R): H 7.678 7.678 7.412 0.266 RESID 81 (Q): N 119.000 119.000 119.713 -0.713 RESID 81 (Q): C 176.600 176.600 178.672 -2.072 RESID 81 (Q): CA 57.510 57.510 58.996 -1.486 RESID 81 (Q): CB 28.880 28.880 28.589 0.291 RESID 81 (Q): H 8.418 8.418 8.282 0.136 RESID 82 (Q): N 115.300 115.300 117.347 -2.047 RESID 82 (Q): C 177.400 177.400 177.948 -0.548 RESID 82 (Q): CA 57.280 57.280 58.316 -1.036 RESID 82 (Q): CB 27.950 27.950 28.530 -0.580 RESID 82 (Q): H 7.297 7.297 7.916 -0.619 RESID 83 (E): N 115.600 115.600 117.729 -2.129 RESID 83 (E): C 176.400 176.400 177.316 -0.916 RESID 83 (E): CA 56.950 56.950 58.352 -1.402 RESID 83 (E): CB 33.090 33.090 31.194 1.896 RESID 83 (E): H 7.627 7.627 7.930 -0.303 RESID 84 (I): N 115.100 115.100 111.881 3.219 RESID 84 (I): C 172.600 172.600 173.929 -1.329 RESID 84 (I): CA 59.380 59.380 58.916 0.464 RESID 84 (I): CB 40.830 40.830 41.498 -0.668 RESID 84 (I): H 8.275 8.275 7.994 0.281 RESID 85 (A): N 120.600 120.600 120.383 0.217 RESID 85 (A): C 175.000 175.000 175.210 -0.210 RESID 85 (A): CA 49.150 49.150 50.243 -1.093 RESID 85 (A): CB 22.280 22.280 21.496 0.784 RESID 85 (A): H 8.679 8.679 8.443 0.236 RESID 86 (F): N 115.500 115.500 118.938 -3.438 RESID 86 (F): C 178.800 178.800 175.869 2.931 RESID 86 (F): CA 55.850 55.850 56.764 -0.914 RESID 86 (F): CB 44.300 44.300 44.031 0.269 RESID 86 (F): H 8.283 8.283 8.610 -0.327 RESID 87 (T): N 108.200 108.200 114.760 -6.560 RESID 87 (T): C 174.700 174.700 173.799 0.901 RESID 87 (T): CA 61.930 61.930 61.024 0.906 RESID 87 (T): CB 72.740 72.740 70.149 2.591 RESID 87 (T): H 7.898 7.898 8.317 -0.419 RESID 88 (D): N 118.400 118.400 120.047 -1.647 RESID 88 (D): C 174.300 174.300 174.954 -0.654 RESID 88 (D): CA 55.030 55.030 55.797 -0.767 RESID 88 (D): CB 40.870 40.870 39.782 1.089 RESID 88 (D): H 8.789 8.789 8.776 0.013 RESID 89 (K): N 118.100 118.100 116.176 1.924 RESID 89 (K): C 176.200 176.200 177.016 -0.816 RESID 89 (K): CA 55.570 55.570 57.215 -1.645 RESID 89 (K): CB 31.850 31.850 31.637 0.213 RESID 89 (K): H 7.666 7.666 7.630 0.036 RESID 90 (L): N 123.400 123.400 125.930 -2.530 RESID 90 (L): C 178.000 178.000 177.846 0.154 RESID 90 (L): CA 54.450 54.450 57.131 -2.681 RESID 90 (L): CB 41.710 41.710 43.053 -1.343 RESID 90 (L): H 8.778 8.778 8.569 0.209 RESID 91 (Y): N 110.500 110.500 110.049 0.451 RESID 91 (Y): C 172.600 172.600 173.644 -1.044 RESID 91 (Y): CA 56.070 56.070 55.696 0.374 RESID 91 (Y): CB 37.670 37.670 40.544 -2.874 RESID 91 (Y): H 6.810 6.810 7.253 -0.443 RESID 92 (A): N 123.100 123.100 122.458 0.642 RESID 92 (A): C 175.600 175.600 176.667 -1.067 RESID 92 (A): CA 51.940 51.940 51.053 0.887 RESID 92 (A): CB 20.320 20.320 19.556 0.764 RESID 92 (A): H 8.135 8.135 9.076 -0.941 RESID 93 (A): N 127.000 127.000 127.765 -0.765 RESID 93 (A): C 175.700 175.700 176.628 -0.928 RESID 93 (A): CA 51.020 51.020 50.600 0.420 RESID 93 (A): CB 18.310 18.310 18.372 -0.062 RESID 93 (A): H 8.658 8.658 8.230 0.428 RESID 94 (D): N 122.900 122.900 121.633 1.267 RESID 94 (D): C 175.300 175.300 176.133 -0.833 RESID 94 (D): CA 53.910 53.910 55.151 -1.241 RESID 94 (D): CB 42.030 42.030 42.246 -0.216 RESID 94 (D): H 8.497 8.497 7.743 0.754 RESID 95 (S): N 110.300 110.300 112.164 -1.864 RESID 95 (S): C 171.600 171.600 173.066 -1.466 RESID 95 (S): CA 57.850 57.850 57.392 0.458 RESID 95 (S): CB 66.410 66.410 66.501 -0.090 RESID 95 (S): H 6.844 6.844 7.881 -1.037 RESID 96 (R): N 124.300 124.300 119.755 4.545 RESID 96 (R): C 173.700 173.700 173.861 -0.161 RESID 96 (R): CA 57.450 57.450 55.903 1.547 RESID 96 (R): CB 34.070 34.070 34.353 -0.283 RESID 96 (R): H 9.227 9.227 8.830 0.397 RESID 97 (L): N 124.100 124.100 125.107 -1.007 RESID 97 (L): C 177.600 177.600 175.930 1.670 RESID 97 (L): CA 54.150 54.150 53.807 0.343 RESID 97 (L): CB 42.640 42.640 44.396 -1.756 RESID 97 (L): H 9.343 9.343 8.053 1.290 RESID 98 (V): N 124.500 124.500 123.553 0.947 RESID 98 (V): C 175.700 175.700 174.950 0.750 RESID 98 (V): CA 61.770 61.770 60.895 0.875 RESID 98 (V): CB 32.950 32.950 32.542 0.408 RESID 98 (V): H 9.500 9.500 8.027 1.473 RESID 99 (V): N 116.800 116.800 122.104 -5.304 RESID 99 (V): C 174.600 174.600 173.954 0.646 RESID 99 (V): CA 58.190 58.190 59.026 -0.836 RESID 99 (V): CB 36.780 36.780 35.898 0.882 RESID 99 (V): H 9.192 9.192 8.161 1.031 RESID 100 (A): N 123.400 123.400 122.413 0.987 RESID 100 (A): C 179.200 179.200 178.553 0.647 RESID 100 (A): CA 52.690 52.690 50.608 2.083 RESID 100 (A): CB 18.160 18.160 19.919 -1.759 RESID 100 (A): H 9.043 9.043 8.359 0.684 RESID 101 (K): N 119.600 119.600 123.636 -4.036 RESID 101 (K): C 176.800 176.800 177.020 -0.220 RESID 101 (K): CA 59.360 59.360 58.977 0.383 RESID 101 (K): CB 31.380 31.380 31.864 -0.484 RESID 101 (K): H 7.840 7.840 8.909 -1.069 RESID 102 (N): N 114.400 114.400 115.570 -1.170 RESID 102 (N): C 175.500 175.500 175.245 0.255 RESID 102 (N): CA 52.330 52.330 54.637 -2.307 RESID 102 (N): CB 36.990 36.990 38.613 -1.623 RESID 102 (N): H 7.941 7.941 8.175 -0.234 RESID 103 (S): N 114.800 114.800 114.652 0.148 RESID 103 (S): C 176.000 176.000 173.270 2.730 RESID 103 (S): CA 58.180 58.180 57.484 0.696 RESID 103 (S): CB 64.310 64.310 63.917 0.393 RESID 103 (S): H 7.700 7.700 7.624 0.076 RESID 104 (D): N 128.500 128.500 129.296 -0.796 RESID 104 (D): C 176.700 176.700 174.986 1.714 RESID 104 (D): CA 52.990 52.990 53.960 -0.970 RESID 104 (D): CB 40.330 40.330 40.932 -0.602 RESID 104 (D): H 8.548 8.548 8.548 -0.000 RESID 105 (I): N 122.800 122.800 124.027 -1.227 RESID 105 (I): C 173.800 173.800 174.524 -0.724 RESID 105 (I): CA 63.580 63.580 60.385 3.196 RESID 105 (I): CB 37.490 37.490 40.460 -2.970 RESID 105 (I): H 7.826 7.826 8.165 -0.339 RESID 106 (Q): N 124.600 124.600 125.216 -0.616 RESID 106 (Q): C 174.700 174.700 174.023 0.677 RESID 106 (Q): CA 51.380 51.380 52.049 -0.669 RESID 106 (Q): CB 31.050 31.050 29.012 2.038 RESID 106 (Q): H 8.174 8.174 8.381 -0.207 RESID 107 (P): C 175.300 175.300 175.777 -0.477 RESID 107 (P): CA 61.880 61.880 63.658 -1.778 RESID 107 (P): CB 26.860 26.860 30.775 -3.915 RESID 108 (T): N 114.600 114.600 117.703 -3.103 RESID 108 (T): C 174.000 174.000 174.394 -0.394 RESID 108 (T): CA 57.690 57.690 61.584 -3.894 RESID 108 (T): CB 71.020 71.020 72.095 -1.075 RESID 108 (T): H 8.531 8.531 7.733 0.798 RESID 109 (V): N 121.800 121.800 123.570 -1.770 RESID 109 (V): C 177.300 177.300 176.934 0.366 RESID 109 (V): CA 65.600 65.600 64.779 0.821 RESID 109 (V): CB 30.580 30.580 32.771 -2.191 RESID 109 (V): H 8.775 8.775 8.490 0.285 RESID 110 (E): N 116.900 116.900 120.805 -3.905 RESID 110 (E): C 178.400 178.400 178.661 -0.261 RESID 110 (E): CA 59.260 59.260 60.142 -0.882 RESID 110 (E): CB 28.170 28.170 29.044 -0.874 RESID 110 (E): H 8.414 8.414 8.386 0.028 RESID 111 (S): N 113.200 113.200 113.423 -0.223 RESID 111 (S): C 176.500 176.500 175.915 0.585 RESID 111 (S): CA 59.370 59.370 60.984 -1.614 RESID 111 (S): CB 63.730 63.730 62.524 1.206 RESID 111 (S): H 7.387 7.387 8.436 -1.049 RESID 112 (L): N 116.100 116.100 120.400 -4.300 RESID 112 (L): C 176.700 176.700 176.690 0.010 RESID 112 (L): CA 54.580 54.580 55.365 -0.785 RESID 112 (L): CB 42.650 42.650 42.568 0.082 RESID 112 (L): H 7.676 7.676 7.325 0.351 RESID 113 (K): N 121.000 121.000 119.227 1.773 RESID 113 (K): C 178.200 178.200 177.502 0.698 RESID 113 (K): CA 58.850 58.850 58.234 0.616 RESID 113 (K): CB 30.850 30.850 32.246 -1.397 RESID 113 (K): H 7.445 7.445 7.737 -0.292 RESID 114 (G): N 113.900 113.900 112.922 0.978 RESID 114 (G): C 174.200 174.200 174.794 -0.594 RESID 114 (G): CA 45.240 45.240 45.364 -0.124 RESID 114 (G): H 8.454 8.454 8.356 0.098 RESID 115 (K): N 120.600 120.600 121.704 -1.104 RESID 115 (K): C 174.800 174.800 176.122 -1.322 RESID 115 (K): CA 53.710 53.710 54.741 -1.031 RESID 115 (K): CB 31.990 31.990 33.281 -1.291 RESID 115 (K): H 8.530 8.530 7.877 0.653 RESID 116 (R): N 119.300 119.300 120.828 -1.528 RESID 116 (R): C 176.000 176.000 175.429 0.571 RESID 116 (R): CA 54.720 54.720 55.740 -1.020 RESID 116 (R): CB 32.310 32.310 31.805 0.505 RESID 116 (R): H 9.455 9.455 8.452 1.003 RESID 117 (V): N 126.100 126.100 123.202 2.898 RESID 117 (V): C 175.300 175.300 174.941 0.359 RESID 117 (V): CA 60.090 60.090 60.223 -0.133 RESID 117 (V): CB 33.620 33.620 35.587 -1.967 RESID 117 (V): H 9.217 9.217 8.599 0.618 RESID 118 (G): N 114.000 114.000 113.626 0.374 RESID 118 (G): C 172.300 172.300 172.527 -0.227 RESID 118 (G): CA 45.010 45.010 43.630 1.380 RESID 118 (G): H 9.367 9.367 8.069 1.298 RESID 119 (V): N 116.400 116.400 122.366 -5.966 RESID 119 (V): C 174.100 174.100 174.025 0.075 RESID 119 (V): CA 58.270 58.270 60.447 -2.178 RESID 119 (V): CB 36.370 36.370 36.993 -0.623 RESID 119 (V): H 9.166 9.166 9.299 -0.133 RESID 120 (L): N 124.400 124.400 124.153 0.247 RESID 120 (L): C 176.900 176.900 175.660 1.240 RESID 120 (L): CA 53.690 53.690 53.961 -0.271 RESID 120 (L): CB 41.240 41.240 42.645 -1.405 RESID 120 (L): H 8.961 8.961 8.822 0.139 RESID 121 (Q): N 128.000 128.000 127.190 0.810 RESID 121 (Q): C 176.900 176.900 177.240 -0.340 RESID 121 (Q): CA 56.680 56.680 57.089 -0.409 RESID 121 (Q): CB 27.920 27.920 29.529 -1.609 RESID 121 (Q): H 9.305 9.305 8.996 0.309 RESID 122 (G): N 113.600 113.600 113.608 -0.008 RESID 122 (G): C 175.100 175.100 173.556 1.544 RESID 122 (G): CA 45.240 45.240 45.470 -0.230 RESID 122 (G): H 9.383 9.383 8.756 0.627 RESID 123 (T): N 108.400 108.400 110.099 -1.699 RESID 123 (T): C 176.800 176.800 174.404 2.396 RESID 123 (T): CA 60.260 60.260 60.016 0.244 RESID 123 (T): CB 73.530 73.530 70.634 2.896 RESID 123 (T): H 7.220 7.220 7.738 -0.518 RESID 124 (T): N 113.900 113.900 112.528 1.372 RESID 124 (T): C 178.100 178.100 176.529 1.571 RESID 124 (T): CA 63.990 63.990 64.679 -0.689 RESID 124 (T): CB 67.740 67.740 68.710 -0.970 RESID 124 (T): H 8.934 8.934 8.662 0.272 RESID 125 (Q): N 120.600 120.600 122.410 -1.810 RESID 125 (Q): C 178.300 178.300 178.086 0.214 RESID 125 (Q): CA 61.670 61.670 59.763 1.907 RESID 125 (Q): CB 25.310 25.310 28.047 -2.737 RESID 125 (Q): H 7.521 7.521 8.277 -0.756 RESID 126 (E): N 121.900 121.900 119.794 2.106 RESID 126 (E): C 177.600 177.600 178.895 -1.295 RESID 126 (E): CA 59.630 59.630 59.837 -0.207 RESID 126 (E): CB 28.730 28.730 29.639 -0.909 RESID 126 (E): H 7.717 7.717 7.810 -0.093 RESID 127 (T): N 117.800 117.800 116.221 1.579 RESID 127 (T): C 176.200 176.200 176.366 -0.166 RESID 127 (T): CA 66.340 66.340 66.848 -0.508 RESID 127 (T): CB 67.590 67.590 68.732 -1.142 RESID 127 (T): H 8.175 8.175 7.615 0.560 RESID 128 (F): N 121.900 121.900 121.974 -0.074 RESID 128 (F): C 178.000 178.000 177.536 0.464 RESID 128 (F): CA 61.590 61.590 60.736 0.854 RESID 128 (F): CB 38.810 38.810 38.921 -0.111 RESID 128 (F): H 8.882 8.882 8.590 0.292 RESID 129 (G): N 107.000 107.000 107.107 -0.107 RESID 129 (G): C 176.100 176.100 176.483 -0.383 RESID 129 (G): CA 46.690 46.690 47.220 -0.530 RESID 129 (G): H 8.900 8.900 9.161 -0.261 RESID 130 (N): N 123.000 123.000 118.442 4.558 RESID 130 (N): C 176.200 176.200 175.830 0.370 RESID 130 (N): CA 55.400 55.400 55.335 0.065 RESID 130 (N): CB 37.570 37.570 38.197 -0.627 RESID 130 (N): H 8.915 8.915 8.566 0.349 RESID 131 (E): N 119.000 119.000 116.730 2.270 RESID 131 (E): C 177.900 177.900 177.094 0.806 RESID 131 (E): CA 57.940 57.940 56.708 1.232 RESID 131 (E): CB 29.350 29.350 30.764 -1.414 RESID 131 (E): H 7.907 7.907 7.482 0.425 RESID 132 (H): N 112.600 112.600 118.632 -6.032 RESID 132 (H): C 175.900 175.900 175.553 0.347 RESID 132 (H): CA 56.910 56.910 58.773 -1.863 RESID 132 (H): CB 30.510 30.510 29.812 0.698 RESID 132 (H): H 7.877 7.877 7.884 -0.007 RESID 133 (W): N 119.300 119.300 117.444 1.856 RESID 133 (W): C 176.800 176.800 176.192 0.608 RESID 133 (W): CA 55.570 55.570 56.554 -0.984 RESID 133 (W): CB 30.400 30.400 29.753 0.646 RESID 133 (W): H 7.653 7.653 7.498 0.155 RESID 134 (A): N 125.400 125.400 124.645 0.755 RESID 134 (A): C 177.700 177.700 177.218 0.482 RESID 134 (A): CA 55.410 55.410 54.650 0.760 RESID 134 (A): CB 15.990 15.990 16.799 -0.809 RESID 134 (A): H 8.711 8.711 7.537 1.175 RESID 135 (P): C 177.200 177.200 177.416 -0.216 RESID 135 (P): CA 64.510 64.510 64.198 0.312 RESID 135 (P): CB 30.800 30.800 30.974 -0.174 RESID 136 (K): N 115.800 115.800 116.247 -0.447 RESID 136 (K): C 176.500 176.500 177.628 -1.128 RESID 136 (K): CA 53.530 53.530 55.918 -2.388 RESID 136 (K): CB 31.430 31.430 32.032 -0.602 RESID 136 (K): H 7.665 7.665 8.142 -0.477 RESID 137 (G): N 106.100 106.100 108.367 -2.267 RESID 137 (G): C 174.300 174.300 173.530 0.770 RESID 137 (G): CA 45.740 45.740 45.377 0.363 RESID 137 (G): H 7.864 7.864 7.671 0.193 RESID 138 (I): N 124.400 124.400 119.375 5.025 RESID 138 (I): C 174.400 174.400 174.792 -0.392 RESID 138 (I): CA 60.460 60.460 60.109 0.351 RESID 138 (I): CB 38.080 38.080 39.845 -1.765 RESID 138 (I): H 6.889 6.889 7.485 -0.596 RESID 139 (E): N 128.400 128.400 127.274 1.126 RESID 139 (E): C 173.900 173.900 175.099 -1.199 RESID 139 (E): CA 56.050 56.050 55.613 0.437 RESID 139 (E): CB 29.490 29.490 31.206 -1.716 RESID 139 (E): H 8.230 8.230 8.336 -0.106 RESID 140 (I): N 129.500 129.500 121.664 7.836 RESID 140 (I): C 176.100 176.100 174.765 1.335 RESID 140 (I): CA 57.100 57.100 59.020 -1.919 RESID 140 (I): CB 34.440 34.440 40.588 -6.148 RESID 140 (I): H 8.642 8.642 8.355 0.287 RESID 141 (V): N 133.000 133.000 125.256 7.744 RESID 141 (V): C 174.400 174.400 174.497 -0.097 RESID 141 (V): CA 61.060 61.060 61.149 -0.089 RESID 141 (V): CB 32.410 32.410 36.191 -3.781 RESID 141 (V): H 9.387 9.387 8.978 0.409 RESID 142 (S): N 122.900 122.900 120.122 2.778 RESID 142 (S): C 175.000 175.000 173.532 1.468 RESID 142 (S): CA 57.710 57.710 57.327 0.383 RESID 142 (S): CB 63.710 63.710 63.750 -0.040 RESID 142 (S): H 8.490 8.490 8.389 0.101 RESID 143 (Y): N 123.400 123.400 126.083 -2.683 RESID 143 (Y): C 175.900 175.900 176.380 -0.480 RESID 143 (Y): CA 57.300 57.300 57.706 -0.406 RESID 143 (Y): CB 42.300 42.300 41.318 0.982 RESID 143 (Y): H 8.979 8.979 9.269 -0.290 RESID 144 (Q): N 119.500 119.500 120.070 -0.570 RESID 144 (Q): C 176.000 176.000 174.904 1.096 RESID 144 (Q): CA 56.490 56.490 55.904 0.586 RESID 144 (Q): CB 28.470 28.470 29.858 -1.388 RESID 144 (Q): H 8.974 8.974 8.742 0.232 RESID 145 (G): N 106.800 106.800 107.331 -0.531 RESID 145 (G): C 173.500 173.500 174.162 -0.662 RESID 145 (G): CA 44.300 44.300 44.315 -0.015 RESID 145 (G): H 7.531 7.531 7.860 -0.329 RESID 146 (Q): N 124.300 124.300 122.892 1.408 RESID 146 (Q): C 177.200 177.200 177.347 -0.147 RESID 146 (Q): CA 57.800 57.800 58.814 -1.014 RESID 146 (Q): CB 28.190 28.190 28.628 -0.438 RESID 146 (Q): H 8.949 8.949 8.863 0.086 RESID 147 (D): N 117.900 117.900 118.421 -0.521 RESID 147 (D): C 178.900 178.900 178.478 0.422 RESID 147 (D): CA 56.650 56.650 56.864 -0.214 RESID 147 (D): CB 38.890 38.890 39.741 -0.851 RESID 147 (D): H 8.746 8.746 8.784 -0.038 RESID 148 (N): N 117.500 117.500 117.788 -0.288 RESID 148 (N): C 176.700 176.700 177.335 -0.635 RESID 148 (N): CA 55.160 55.160 55.621 -0.461 RESID 148 (N): CB 38.700 38.700 38.102 0.598 RESID 148 (N): H 7.496 7.496 8.562 -1.066 RESID 149 (I): N 120.000 120.000 119.894 0.106 RESID 149 (I): C 177.400 177.400 177.526 -0.126 RESID 149 (I): CA 64.450 64.450 65.038 -0.588 RESID 149 (I): CB 35.900 35.900 37.580 -1.680 RESID 149 (I): H 6.793 6.793 7.174 -0.381 RESID 150 (Y): N 117.400 117.400 118.233 -0.833 RESID 150 (Y): C 178.800 178.800 178.067 0.733 RESID 150 (Y): CA 59.730 59.730 61.662 -1.932 RESID 150 (Y): CB 35.970 35.970 37.648 -1.678 RESID 150 (Y): H 6.897 6.897 7.389 -0.492 RESID 151 (S): N 117.000 117.000 114.899 2.101 RESID 151 (S): C 177.000 177.000 177.022 -0.022 RESID 151 (S): CA 61.300 61.300 61.693 -0.393 RESID 151 (S): CB 62.100 62.100 62.216 -0.116 RESID 151 (S): H 8.186 8.186 8.255 -0.069 RESID 152 (D): N 122.300 122.300 123.219 -0.919 RESID 152 (D): C 179.000 179.000 178.336 0.664 RESID 152 (D): CA 56.580 56.580 56.868 -0.288 RESID 152 (D): CB 38.240 38.240 40.377 -2.137 RESID 152 (D): H 7.541 7.541 7.634 -0.093 RESID 153 (L): N 124.100 124.100 121.172 2.928 RESID 153 (L): C 180.300 180.300 178.536 1.764 RESID 153 (L): CA 58.160 58.160 57.542 0.618 RESID 153 (L): CB 41.630 41.630 41.829 -0.199 RESID 153 (L): H 8.372 8.372 7.873 0.499 RESID 154 (T): N 111.900 111.900 113.474 -1.574 RESID 154 (T): C 176.700 176.700 175.318 1.382 RESID 154 (T): CA 63.920 63.920 65.407 -1.488 RESID 154 (T): CB 68.700 68.700 69.030 -0.330 RESID 154 (T): H 8.389 8.389 8.312 0.077 RESID 155 (A): N 121.800 121.800 120.081 1.719 RESID 155 (A): C 178.200 178.200 178.034 0.166 RESID 155 (A): CA 51.640 51.640 52.315 -0.675 RESID 155 (A): CB 18.990 18.990 19.426 -0.436 RESID 155 (A): H 7.444 7.444 7.069 0.375 RESID 156 (G): N 107.800 107.800 107.087 0.713 RESID 156 (G): C 175.100 175.100 175.362 -0.262 RESID 156 (G): CA 45.420 45.420 45.169 0.251 RESID 156 (G): H 7.921 7.921 8.018 -0.097 RESID 157 (R): N 119.000 119.000 119.227 -0.227 RESID 157 (R): C 176.600 176.600 175.730 0.870 RESID 157 (R): CA 57.260 57.260 57.619 -0.359 RESID 157 (R): CB 30.400 30.400 30.762 -0.362 RESID 157 (R): H 8.443 8.443 8.117 0.326 RESID 158 (I): N 108.900 108.900 112.823 -3.923 RESID 158 (I): C 173.700 173.700 174.285 -0.585 RESID 158 (I): CA 59.900 59.900 59.208 0.692 RESID 158 (I): CB 40.070 40.070 41.074 -1.004 RESID 158 (I): H 7.109 7.109 7.120 -0.011 RESID 159 (D): N 119.100 119.100 123.829 -4.729 RESID 159 (D): C 174.700 174.700 175.664 -0.964 RESID 159 (D): CA 55.900 55.900 56.289 -0.389 RESID 159 (D): CB 43.630 43.630 41.698 1.932 RESID 159 (D): H 8.737 8.737 8.489 0.248 RESID 160 (A): N 116.400 116.400 116.432 -0.032 RESID 160 (A): C 174.900 174.900 174.316 0.584 RESID 160 (A): CA 50.190 50.190 51.481 -1.291 RESID 160 (A): CB 23.030 23.030 21.338 1.692 RESID 160 (A): H 7.702 7.702 7.166 0.536 RESID 161 (A): N 123.400 123.400 121.771 1.629 RESID 161 (A): C 175.500 175.500 175.683 -0.183 RESID 161 (A): CA 49.730 49.730 50.308 -0.578 RESID 161 (A): CB 21.110 21.110 21.594 -0.484 RESID 161 (A): H 8.915 8.915 7.986 0.929 RESID 162 (F): N 125.100 125.100 122.650 2.450 RESID 162 (F): C 172.900 172.900 175.013 -2.113 RESID 162 (F): CA 54.500 54.500 58.248 -3.748 RESID 162 (F): CB 39.400 39.400 38.794 0.606 RESID 162 (F): H 8.971 8.971 8.472 0.499 RESID 163 (Q): N 124.600 124.600 123.377 1.223 RESID 163 (Q): C 173.400 173.400 173.709 -0.309 RESID 163 (Q): CA 53.550 53.550 53.642 -0.092 RESID 163 (Q): CB 34.390 34.390 33.155 1.235 RESID 163 (Q): H 7.904 7.904 8.328 -0.424 RESID 164 (D): N 122.300 122.300 121.228 1.072 RESID 164 (D): C 175.800 175.800 177.269 -1.469 RESID 164 (D): CA 55.540 55.540 54.536 1.004 RESID 164 (D): CB 42.370 42.370 42.057 0.313 RESID 164 (D): H 8.304 8.304 8.455 -0.151 RESID 165 (E): N 128.600 128.600 122.906 5.694 RESID 165 (E): C 177.700 177.700 178.150 -0.450 RESID 165 (E): CA 60.230 60.230 60.153 0.077 RESID 165 (E): CB 30.020 30.020 29.849 0.171 RESID 165 (E): H 8.605 8.605 8.790 -0.185 RESID 166 (V): N 120.100 120.100 118.886 1.214 RESID 166 (V): C 178.300 178.300 177.315 0.985 RESID 166 (V): CA 66.800 66.800 66.730 0.070 RESID 166 (V): CB 30.070 30.070 30.319 -0.249 RESID 166 (V): H 8.748 8.748 8.247 0.501 RESID 167 (A): N 123.200 123.200 120.048 3.152 RESID 167 (A): C 182.500 182.500 179.095 3.405 RESID 167 (A): CA 54.980 54.980 54.719 0.261 RESID 167 (A): CB 17.910 17.910 18.055 -0.145 RESID 167 (A): H 8.655 8.655 7.959 0.696 RESID 168 (A): N 121.300 121.300 122.168 -0.868 RESID 168 (A): C 179.800 179.800 179.716 0.084 RESID 168 (A): CA 54.180 54.180 54.545 -0.365 RESID 168 (A): CB 18.750 18.750 18.450 0.300 RESID 168 (A): H 8.349 8.349 7.919 0.430 RESID 169 (S): N 113.400 113.400 114.415 -1.015 RESID 169 (S): C 175.700 175.700 176.169 -0.469 RESID 169 (S): CA 61.050 61.050 62.548 -1.498 RESID 169 (S): CB 63.050 63.050 62.654 0.396 RESID 169 (S): H 8.058 8.058 8.164 -0.106 RESID 170 (E): N 115.600 115.600 120.414 -4.814 RESID 170 (E): C 178.800 178.800 177.432 1.368 RESID 170 (E): CA 57.610 57.610 58.109 -0.499 RESID 170 (E): CB 29.790 29.790 29.047 0.743 RESID 170 (E): H 8.824 8.824 7.840 0.984 RESID 171 (G): N 103.400 103.400 104.991 -1.591 RESID 171 (G): C 173.700 173.700 175.025 -1.325 RESID 171 (G): CA 44.970 44.970 45.282 -0.312 RESID 171 (G): H 8.154 8.154 7.330 0.824 RESID 172 (F): N 120.100 120.100 122.526 -2.426 RESID 172 (F): C 175.200 175.200 177.714 -2.514 RESID 172 (F): CA 60.690 60.690 61.154 -0.464 RESID 172 (F): CB 40.740 40.740 39.089 1.651 RESID 172 (F): H 7.297 7.297 8.313 -1.016 RESID 173 (L): N 117.800 117.800 117.809 -0.009 RESID 173 (L): C 179.000 179.000 178.298 0.702 RESID 173 (L): CA 57.670 57.670 56.883 0.786 RESID 173 (L): CB 40.020 40.020 41.839 -1.819 RESID 173 (L): H 8.470 8.470 7.524 0.946 RESID 174 (K): N 114.600 114.600 116.396 -1.796 RESID 174 (K): C 176.900 176.900 176.422 0.478 RESID 174 (K): CA 56.450 56.450 57.267 -0.817 RESID 174 (K): CB 31.770 31.770 32.662 -0.892 RESID 174 (K): H 8.018 8.018 7.583 0.435 RESID 175 (Q): N 118.800 118.800 116.968 1.832 RESID 175 (Q): C 176.000 176.000 173.996 2.004 RESID 175 (Q): CA 52.510 52.510 52.276 0.234 RESID 175 (Q): CB 26.740 26.740 29.820 -3.079 RESID 175 (Q): H 7.151 7.151 7.277 -0.126 RESID 176 (P): C 179.300 179.300 177.703 1.597 RESID 176 (P): CA 66.100 66.100 65.377 0.723 RESID 176 (P): CB 30.720 30.720 31.704 -0.985 RESID 177 (V): N 112.300 112.300 117.288 -4.988 RESID 177 (V): C 175.900 175.900 177.755 -1.855 RESID 177 (V): CA 62.860 62.860 65.873 -3.013 RESID 177 (V): CB 30.660 30.660 31.004 -0.344 RESID 177 (V): H 7.480 7.480 7.739 -0.259 RESID 178 (G): N 109.700 109.700 105.474 4.226 RESID 178 (G): C 175.000 175.000 174.895 0.105 RESID 178 (G): CA 44.080 44.080 46.067 -1.987 RESID 178 (G): H 7.173 7.173 7.627 -0.454 RESID 179 (K): N 120.900 120.900 119.111 1.789 RESID 179 (K): C 177.100 177.100 177.645 -0.545 RESID 179 (K): CA 58.360 58.360 58.449 -0.089 RESID 179 (K): CB 31.260 31.260 32.301 -1.042 RESID 179 (K): H 6.972 6.972 7.239 -0.267 RESID 180 (D): N 117.200 117.200 117.101 0.099 RESID 180 (D): C 173.900 173.900 175.809 -1.909 RESID 180 (D): CA 53.920 53.920 55.823 -1.903 RESID 180 (D): CB 39.690 39.690 41.297 -1.607 RESID 180 (D): H 8.036 8.036 7.448 0.588 RESID 181 (Y): N 120.500 120.500 114.968 5.532 RESID 181 (Y): C 172.300 172.300 173.452 -1.152 RESID 181 (Y): CA 57.890 57.890 57.707 0.183 RESID 181 (Y): CB 41.860 41.860 42.278 -0.418 RESID 181 (Y): H 7.768 7.768 7.385 0.383 RESID 182 (K): N 116.900 116.900 118.699 -1.799 RESID 182 (K): C 174.900 174.900 174.270 0.630 RESID 182 (K): CA 54.330 54.330 56.445 -2.115 RESID 182 (K): CB 35.610 35.610 33.341 2.269 RESID 182 (K): H 9.497 9.497 8.831 0.666 RESID 183 (F): N 117.900 117.900 121.091 -3.191 RESID 183 (F): C 177.800 177.800 175.128 2.672 RESID 183 (F): CA 56.780 56.780 57.898 -1.118 RESID 183 (F): CB 38.320 38.320 42.982 -4.662 RESID 183 (F): H 8.470 8.470 8.129 0.341 RESID 184 (G): N 113.700 113.700 108.983 4.717 RESID 184 (G): C 173.300 173.300 174.856 -1.556 RESID 184 (G): CA 46.900 46.900 44.917 1.983 RESID 184 (G): H 9.107 9.107 8.820 0.287 RESID 185 (G): N 111.000 111.000 108.804 2.196 RESID 185 (G): C 171.100 171.100 172.857 -1.757 RESID 185 (G): CA 44.530 44.530 45.438 -0.908 RESID 185 (G): H 7.702 7.702 8.253 -0.551 RESID 186 (P): C 175.500 175.500 176.194 -0.694 RESID 186 (P): CA 61.920 61.920 64.445 -2.525 RESID 186 (P): CB 32.640 32.640 31.881 0.759 RESID 187 (S): N 113.500 113.500 120.064 -6.564 RESID 187 (S): C 173.500 173.500 173.821 -0.321 RESID 187 (S): CA 57.930 57.930 57.474 0.456 RESID 187 (S): CB 63.260 63.260 65.666 -2.406 RESID 187 (S): H 8.452 8.452 8.323 0.129 RESID 188 (V): N 123.300 123.300 121.755 1.545 RESID 188 (V): C 173.900 173.900 173.620 0.280 RESID 188 (V): CA 61.800 61.800 62.317 -0.517 RESID 188 (V): CB 32.680 32.680 34.678 -1.998 RESID 188 (V): H 9.080 9.080 7.842 1.238 RESID 189 (K): N 125.200 125.200 122.435 2.765 RESID 189 (K): C 176.700 176.700 174.085 2.615 RESID 189 (K): CA 54.680 54.680 56.177 -1.497 RESID 189 (K): CB 33.780 33.780 34.723 -0.943 RESID 189 (K): H 8.123 8.123 8.132 -0.009 RESID 190 (D): N 120.300 120.300 122.081 -1.781 RESID 190 (D): C 175.300 175.300 176.884 -1.584 RESID 190 (D): CA 55.610 55.610 53.432 2.178 RESID 190 (D): CB 42.620 42.620 40.404 2.216 RESID 190 (D): H 8.823 8.823 8.288 0.535 RESID 191 (E): N 129.100 129.100 126.602 2.498 RESID 191 (E): C 177.300 177.300 177.545 -0.245 RESID 191 (E): CA 59.310 59.310 58.462 0.848 RESID 191 (E): CB 28.420 28.420 29.516 -1.096 RESID 191 (E): H 9.239 9.239 8.841 0.398 RESID 192 (K): N 118.000 118.000 119.284 -1.284 RESID 192 (K): C 178.200 178.200 178.117 0.083 RESID 192 (K): CA 58.140 58.140 58.931 -0.791 RESID 192 (K): CB 31.690 31.690 32.144 -0.454 RESID 192 (K): H 7.918 7.918 8.760 -0.842 RESID 193 (L): N 118.200 118.200 118.048 0.152 RESID 193 (L): C 177.700 177.700 177.677 0.023 RESID 193 (L): CA 55.790 55.790 56.974 -1.184 RESID 193 (L): CB 42.330 42.330 42.064 0.266 RESID 193 (L): H 8.362 8.362 7.137 1.225 RESID 194 (F): N 116.800 116.800 113.473 3.327 RESID 194 (F): C 178.200 178.200 175.817 2.383 RESID 194 (F): CA 54.620 54.620 57.304 -2.684 RESID 194 (F): CB 37.390 37.390 39.754 -2.364 RESID 194 (F): H 8.036 8.036 7.300 0.736 RESID 195 (G): N 106.900 106.900 108.846 -1.946 RESID 195 (G): C 174.200 174.200 173.892 0.308 RESID 195 (G): CA 44.120 44.120 45.006 -0.886 RESID 195 (G): H 7.510 7.510 7.677 -0.167 RESID 196 (V): N 112.400 112.400 123.534 -11.134 RESID 196 (V): C 175.300 175.300 175.995 -0.695 RESID 196 (V): CA 60.720 60.720 64.272 -3.552 RESID 196 (V): CB 30.630 30.630 32.167 -1.537 RESID 196 (V): H 8.064 8.064 8.297 -0.233 RESID 197 (G): N 108.100 108.100 105.307 2.793 RESID 197 (G): C 172.300 172.300 172.008 0.292 RESID 197 (G): CA 43.210 43.210 45.252 -2.042 RESID 197 (G): H 7.788 7.788 7.237 0.551 RESID 198 (T): N 109.200 109.200 113.755 -4.555 RESID 198 (T): C 172.800 172.800 173.223 -0.423 RESID 198 (T): CA 59.090 59.090 59.368 -0.279 RESID 198 (T): CB 71.080 71.080 71.290 -0.210 RESID 198 (T): H 7.796 7.796 7.952 -0.156 RESID 199 (G): N 103.900 103.900 108.594 -4.694 RESID 199 (G): C 171.800 171.800 172.594 -0.794 RESID 199 (G): CA 43.840 43.840 45.336 -1.496 RESID 199 (G): H 7.928 7.928 7.841 0.087 RESID 200 (M): N 121.400 121.400 119.851 1.549 RESID 200 (M): C 176.200 176.200 175.980 0.220 RESID 200 (M): CA 55.260 55.260 55.269 -0.009 RESID 200 (M): CB 33.390 33.390 34.982 -1.592 RESID 200 (M): H 7.971 7.971 8.501 -0.530 RESID 201 (G): N 112.200 112.200 110.679 1.521 RESID 201 (G): C 172.000 172.000 172.787 -0.787 RESID 201 (G): CA 44.540 44.540 44.412 0.128 RESID 201 (G): H 8.818 8.818 8.321 0.497 RESID 202 (L): N 124.700 124.700 124.783 -0.083 RESID 202 (L): C 176.000 176.000 175.871 0.129 RESID 202 (L): CA 53.740 53.740 52.832 0.908 RESID 202 (L): CB 46.010 46.010 46.137 -0.127 RESID 202 (L): H 8.767 8.767 8.608 0.159 RESID 203 (R): N 121.600 121.600 120.196 1.404 RESID 203 (R): C 180.400 180.400 177.906 2.494 RESID 203 (R): CA 57.130 57.130 55.475 1.655 RESID 203 (R): CB 29.650 29.650 31.321 -1.671 RESID 203 (R): H 10.270 10.270 8.266 2.004 RESID 204 (K): N 123.200 123.200 124.651 -1.451 RESID 204 (K): C 178.200 178.200 177.545 0.655 RESID 204 (K): CA 59.570 59.570 59.725 -0.155 RESID 204 (K): CB 31.840 31.840 32.073 -0.233 RESID 204 (K): H 9.231 9.231 8.662 0.569 RESID 205 (E): N 113.800 113.800 117.210 -3.410 RESID 205 (E): C 177.700 177.700 177.938 -0.238 RESID 205 (E): CA 57.230 57.230 58.271 -1.041 RESID 205 (E): CB 27.770 27.770 28.924 -1.154 RESID 205 (E): H 9.026 9.026 8.221 0.805 RESID 206 (D): N 126.000 126.000 120.803 5.197 RESID 206 (D): C 177.300 177.300 176.516 0.784 RESID 206 (D): CA 53.710 53.710 53.680 0.030 RESID 206 (D): CB 37.530 37.530 38.694 -1.164 RESID 206 (D): H 7.253 7.253 8.022 -0.769 RESID 207 (N): N 120.100 120.100 120.433 -0.333 RESID 207 (N): C 176.900 176.900 177.021 -0.121 RESID 207 (N): CA 56.950 56.950 56.430 0.520 RESID 207 (N): CB 38.820 38.820 38.894 -0.074 RESID 207 (N): H 7.839 7.839 8.730 -0.891 RESID 208 (E): N 120.500 120.500 118.552 1.948 RESID 208 (E): C 179.900 179.900 178.376 1.524 RESID 208 (E): CA 59.870 59.870 58.933 0.937 RESID 208 (E): CB 27.630 27.630 29.405 -1.775 RESID 208 (E): H 8.776 8.776 8.406 0.370 RESID 209 (L): N 122.900 122.900 120.494 2.406 RESID 209 (L): C 177.100 177.100 178.230 -1.130 RESID 209 (L): CA 57.400 57.400 57.369 0.031 RESID 209 (L): CB 40.660 40.660 41.813 -1.153 RESID 209 (L): H 8.366 8.366 7.784 0.582 RESID 210 (R): N 119.100 119.100 118.814 0.286 RESID 210 (R): C 177.400 177.400 178.176 -0.776 RESID 210 (R): CA 59.970 59.970 59.781 0.190 RESID 210 (R): CB 30.110 30.110 30.022 0.088 RESID 210 (R): H 7.582 7.582 8.350 -0.768 RESID 211 (E): N 116.200 116.200 119.224 -3.024 RESID 211 (E): C 179.800 179.800 178.524 1.276 RESID 211 (E): CA 59.150 59.150 59.263 -0.113 RESID 211 (E): CB 28.600 28.600 29.572 -0.972 RESID 211 (E): H 8.407 8.407 7.889 0.518 RESID 212 (A): N 123.500 123.500 122.678 0.822 RESID 212 (A): C 181.300 181.300 179.638 1.662 RESID 212 (A): CA 54.810 54.810 54.711 0.099 RESID 212 (A): CB 17.170 17.170 18.144 -0.974 RESID 212 (A): H 8.128 8.128 7.571 0.557 RESID 213 (L): N 121.200 121.200 119.689 1.511 RESID 213 (L): C 178.400 178.400 179.648 -1.248 RESID 213 (L): CA 57.710 57.710 58.153 -0.443 RESID 213 (L): CB 41.450 41.450 41.121 0.329 RESID 213 (L): H 8.364 8.364 8.097 0.267 RESID 214 (N): N 119.200 119.200 116.354 2.846 RESID 214 (N): C 179.700 179.700 177.836 1.864 RESID 214 (N): CA 55.260 55.260 55.860 -0.600 RESID 214 (N): CB 37.120 37.120 37.943 -0.823 RESID 214 (N): H 8.435 8.435 8.399 0.036 RESID 215 (K): N 123.800 123.800 121.365 2.435 RESID 215 (K): C 178.400 178.400 178.519 -0.119 RESID 215 (K): CA 59.090 59.090 59.398 -0.308 RESID 215 (K): CB 31.740 31.740 32.487 -0.747 RESID 215 (K): H 8.080 8.080 8.434 -0.354 RESID 216 (A): N 122.200 122.200 121.755 0.445 RESID 216 (A): C 179.500 179.500 179.518 -0.018 RESID 216 (A): CA 54.140 54.140 54.877 -0.737 RESID 216 (A): CB 18.700 18.700 18.273 0.426 RESID 216 (A): H 7.935 7.935 8.320 -0.385 RESID 217 (F): N 119.500 119.500 120.151 -0.651 RESID 217 (F): C 177.200 177.200 176.975 0.225 RESID 217 (F): CA 61.390 61.390 60.226 1.164 RESID 217 (F): CB 38.000 38.000 39.053 -1.053 RESID 217 (F): H 8.916 8.916 8.313 0.603 RESID 218 (A): N 121.300 121.300 121.224 0.076 RESID 218 (A): C 182.100 182.100 179.660 2.440 RESID 218 (A): CA 54.810 54.810 55.220 -0.410 RESID 218 (A): CB 16.650 16.650 17.980 -1.330 RESID 218 (A): H 7.956 7.956 8.181 -0.225 RESID 219 (E): N 120.000 120.000 119.044 0.956 RESID 219 (E): C 178.600 178.600 179.012 -0.412 RESID 219 (E): CA 59.040 59.040 59.334 -0.294 RESID 219 (E): CB 28.320 28.320 29.481 -1.161 RESID 219 (E): H 7.952 7.952 7.858 0.094 RESID 220 (M): N 120.900 120.900 118.254 2.646 RESID 220 (M): C 179.000 179.000 178.653 0.347 RESID 220 (M): CA 57.430 57.430 59.416 -1.986 RESID 220 (M): CB 32.620 32.620 32.508 0.112 RESID 220 (M): H 8.190 8.190 8.095 0.095 RESID 221 (R): N 119.200 119.200 118.428 0.772 RESID 221 (R): C 179.300 179.300 178.981 0.319 RESID 221 (R): CA 58.710 58.710 59.120 -0.410 RESID 221 (R): CB 27.480 27.480 29.878 -2.398 RESID 221 (R): H 7.762 7.762 7.513 0.249 RESID 222 (A): N 122.500 122.500 122.010 0.490 RESID 222 (A): C 179.300 179.300 178.962 0.338 RESID 222 (A): CA 54.180 54.180 54.581 -0.401 RESID 222 (A): CB 18.030 18.030 18.609 -0.579 RESID 222 (A): H 7.838 7.838 7.783 0.055 RESID 223 (D): N 115.100 115.100 114.759 0.341 RESID 223 (D): C 177.900 177.900 177.245 0.655 RESID 223 (D): CA 53.020 53.020 53.186 -0.166 RESID 223 (D): CB 39.570 39.570 40.287 -0.717 RESID 223 (D): H 8.091 8.091 8.058 0.033 RESID 224 (G): N 106.700 106.700 108.309 -1.609 RESID 224 (G): C 176.000 176.000 176.061 -0.061 RESID 224 (G): CA 45.070 45.070 46.320 -1.250 RESID 224 (G): H 7.199 7.199 7.446 -0.247 RESID 225 (T): N 122.400 122.400 117.119 5.281 RESID 225 (T): C 175.700 175.700 175.279 0.421 RESID 225 (T): CA 67.610 67.610 68.057 -0.447 RESID 225 (T): CB 66.840 66.840 68.789 -1.949 RESID 225 (T): H 9.095 9.095 9.323 -0.228 RESID 226 (Y): N 121.500 121.500 121.710 -0.210 RESID 226 (Y): C 176.000 176.000 176.915 -0.915 RESID 226 (Y): CA 62.530 62.530 62.321 0.209 RESID 226 (Y): CB 38.410 38.410 38.333 0.077 RESID 226 (Y): H 8.040 8.040 7.649 0.391 RESID 227 (E): N 118.200 118.200 118.675 -0.475 RESID 227 (E): C 178.200 178.200 178.702 -0.502 RESID 227 (E): CA 58.940 58.940 59.486 -0.546 RESID 227 (E): CB 28.810 28.810 29.133 -0.323 RESID 227 (E): H 8.153 8.153 8.608 -0.455 RESID 228 (K): N 119.100 119.100 120.389 -1.289 RESID 228 (K): C 179.500 179.500 179.060 0.440 RESID 228 (K): CA 59.260 59.260 59.487 -0.227 RESID 228 (K): CB 31.520 31.520 32.421 -0.901 RESID 228 (K): H 7.558 7.558 8.374 -0.816 RESID 229 (L): N 119.100 119.100 119.401 -0.301 RESID 229 (L): C 179.300 179.300 178.804 0.496 RESID 229 (L): CA 56.970 56.970 57.708 -0.738 RESID 229 (L): CB 41.520 41.520 41.876 -0.356 RESID 229 (L): H 8.055 8.055 8.091 -0.036 RESID 230 (A): N 121.200 121.200 122.124 -0.924 RESID 230 (A): C 180.500 180.500 179.236 1.264 RESID 230 (A): CA 54.890 54.890 55.530 -0.640 RESID 230 (A): CB 17.570 17.570 17.724 -0.154 RESID 230 (A): H 8.901 8.901 8.343 0.558 RESID 231 (K): N 117.200 117.200 117.959 -0.759 RESID 231 (K): C 177.700 177.700 178.127 -0.427 RESID 231 (K): CA 57.370 57.370 58.776 -1.406 RESID 231 (K): CB 31.330 31.330 32.354 -1.024 RESID 231 (K): H 8.062 8.062 8.062 -0.000 RESID 232 (K): N 117.600 117.600 116.680 0.920 RESID 232 (K): C 176.800 176.800 179.169 -2.369 RESID 232 (K): CA 57.890 57.890 58.618 -0.728 RESID 232 (K): CB 31.150 31.150 32.555 -1.405 RESID 232 (K): H 7.053 7.053 7.434 -0.381 RESID 233 (Y): N 114.000 114.000 117.029 -3.029 RESID 233 (Y): C 175.100 175.100 175.747 -0.647 RESID 233 (Y): CA 58.110 58.110 61.177 -3.067 RESID 233 (Y): CB 39.360 39.360 38.849 0.511 RESID 233 (Y): H 7.013 7.013 8.002 -0.989 RESID 234 (F): N 116.400 116.400 113.445 2.955 RESID 234 (F): C 175.800 175.800 173.438 2.362 RESID 234 (F): CA 54.920 54.920 56.712 -1.792 RESID 234 (F): CB 41.260 41.260 42.777 -1.517 RESID 234 (F): H 8.038 8.038 8.166 -0.128 RESID 235 (D): N 123.000 123.000 120.728 2.272 RESID 235 (D): C 174.500 174.500 175.086 -0.586 RESID 235 (D): CA 52.680 52.680 53.410 -0.730 RESID 235 (D): CB 39.860 39.860 39.667 0.193 RESID 235 (D): H 8.879 8.879 8.628 0.251 RESID 236 (F): N 115.500 115.500 122.126 -6.626 RESID 236 (F): C 173.600 173.600 173.604 -0.004 RESID 236 (F): CA 53.950 53.950 56.238 -2.288 RESID 236 (F): CB 39.860 39.860 39.825 0.035 RESID 236 (F): H 6.793 6.793 7.454 -0.661 RESID 237 (D): N 119.700 119.700 121.938 -2.238 RESID 237 (D): C 175.800 175.800 177.150 -1.350 RESID 237 (D): CA 52.980 52.980 52.677 0.303 RESID 237 (D): CB 39.210 39.210 41.987 -2.777 RESID 237 (D): H 8.831 8.831 8.649 0.182 RESID 238 (V): N 129.900 129.900 122.546 7.354 RESID 238 (V): C 175.200 175.200 176.670 -1.470 RESID 238 (V): CA 61.840 61.840 65.116 -3.276 RESID 238 (V): CB 32.500 32.500 31.940 0.560 RESID 238 (V): H 7.376 7.376 8.387 -1.011 RESID 239 (Y): N 123.500 123.500 119.132 4.368 RESID 239 (Y): C 176.500 176.500 178.491 -1.991 RESID 239 (Y): CA 61.920 61.920 61.068 0.852 RESID 239 (Y): CB 38.010 38.010 37.809 0.201 RESID 239 (Y): H 8.314 8.314 7.895 0.419 RESID 240 (G): N 104.100 104.100 104.452 -0.352 RESID 240 (G): C 174.600 174.600 174.897 -0.297 RESID 240 (G): CA 45.930 45.930 45.325 0.605 RESID 240 (G): H 7.428 7.428 8.434 -1.006 N HA C CA CB H RESID 6 (P): ----- ----- -0.713 -0.619 -0.728 ----- RESID 7 (Q): -0.364 ----- -0.402 -0.662 -0.640 -0.302 RESID 8 (N): 1.854 ----- -0.292 -0.671 -1.294 -0.333 RESID 9 (I): -2.433 ----- -0.176 -0.723 0.152 -0.735 RESID 10 (R): -1.309 ----- 0.747 -1.792 -0.234 0.438 RESID 11 (I): 3.248 ----- 0.325 0.113 -3.986 0.281 RESID 12 (G): 0.437 ----- -1.274 0.260 ----- 0.789 RESID 13 (T): -0.987 ----- 8.563 -0.598 -1.847 0.614 RESID 14 (D): -0.726 ----- 2.755 -0.552 -1.715 -0.493 RESID 15 (P): ----- ----- -1.066 -1.395 -4.510 ----- RESID 16 (T): 5.578 ----- 0.774 -2.453 -1.186 0.465 RESID 17 (Y): 3.875 ----- -0.457 -1.917 0.272 0.894 RESID 18 (A): 2.418 ----- -0.452 -4.582 -0.181 0.020 RESID 19 (P): ----- ----- -4.298 -2.345 0.202 ----- RESID 20 (F): 7.735 ----- 1.586 2.694 -3.052 -0.117 RESID 21 (E): -2.700 ----- -0.833 -0.829 -5.372 -0.793 RESID 22 (S): 4.066 ----- -0.778 -1.271 -1.222 0.440 RESID 23 (K): -1.868 ----- 2.603 -1.666 -1.811 0.006 RESID 24 (N): 1.605 ----- 1.052 -1.290 -1.876 0.067 RESID 25 (S): ----- ----- -0.024 0.008 -0.188 ----- RESID 26 (Q): -0.183 ----- -0.574 -0.413 -0.473 -0.363 RESID 27 (G): 1.129 ----- -0.365 0.005 ----- 0.256 RESID 28 (E): 0.477 ----- 0.193 -1.411 -0.883 -0.209 RESID 29 (L): 2.443 ----- 0.498 0.578 -1.573 -0.052 RESID 30 (V): -4.431 ----- 1.715 -1.735 0.104 0.989 RESID 31 (G): -0.706 ----- 0.877 -1.397 ----- 1.109 RESID 32 (F): -2.865 ----- 1.920 -0.312 -0.320 0.057 RESID 33 (D): -2.588 ----- 1.071 -0.373 -1.608 1.731 RESID 34 (I): -0.837 ----- 0.274 -3.809 -4.183 -1.195 RESID 35 (D): 0.627 ----- 1.622 -0.307 0.116 0.752 RESID 36 (L): -0.434 ----- 0.518 -0.095 0.663 1.289 RESID 37 (A): -1.629 ----- -0.915 -0.161 -1.080 0.738 RESID 38 (K): -2.890 ----- 0.937 0.513 -0.499 0.656 RESID 39 (E): 2.145 ----- -1.085 -0.910 -1.531 -0.114 RESID 40 (L): 1.096 ----- -0.149 0.203 -1.482 0.611 RESID 41 (C): -2.800 ----- -1.688 -0.392 21.405 -0.146 RESID 42 (K): -0.266 ----- 1.639 -0.637 -0.923 -0.590 RESID 43 (R): 1.409 ----- 0.028 0.291 -0.241 0.494 RESID 44 (I): -5.745 ----- -0.827 -2.166 -1.542 -0.698 RESID 45 (N): 3.108 ----- -0.342 -0.953 0.708 -0.285 RESID 46 (T): 7.141 ----- 0.293 -0.299 -1.323 -0.024 RESID 47 (Q): 3.548 ----- 0.818 -0.522 -1.905 -0.268 RESID 48 (C): -0.480 ----- -0.670 -4.634 17.881 0.203 RESID 49 (T): -2.058 ----- 0.146 -1.034 -0.041 -0.506 RESID 50 (F): -2.213 ----- -0.122 -0.046 0.497 0.342 RESID 51 (V): 2.438 ----- -0.039 -0.019 -1.636 0.217 RESID 52 (E): -2.153 ----- 1.653 -2.759 -1.031 -0.153 RESID 53 (N): 6.188 ----- -1.806 -0.179 5.615 0.685 RESID 54 (P): ----- ----- -0.199 -0.715 -1.430 ----- RESID 55 (L): -0.031 ----- 0.886 -1.085 0.100 0.290 RESID 56 (D): -3.602 ----- -0.822 -0.771 -0.540 0.121 RESID 57 (A): 0.462 ----- 1.049 -2.182 -0.467 -0.258 RESID 58 (L): 1.156 ----- -0.949 0.861 -1.746 -0.250 RESID 59 (I): 0.034 ----- 1.221 2.235 -0.598 1.374 RESID 60 (P): ----- ----- 0.833 -0.617 -1.269 ----- RESID 61 (S): -0.152 ----- -1.183 0.317 ----- -0.352 RESID 62 (L): 3.116 ----- 1.963 -0.343 0.008 0.190 RESID 63 (K): 1.854 ----- -0.243 0.235 -1.693 0.718 RESID 64 (A): 0.177 ----- -0.458 -0.231 -0.303 -0.293 RESID 65 (K): -1.804 ----- -0.459 -0.171 -2.158 0.051 RESID 66 (K): 2.869 ----- -0.551 -1.271 -0.843 0.590 RESID 67 (I): -5.160 ----- -1.411 -0.018 -0.531 -0.229 RESID 68 (D): -3.516 ----- -3.755 0.227 1.718 1.267 RESID 69 (A): -0.938 ----- 1.082 -1.034 -0.219 -0.122 RESID 70 (I): -0.432 ----- -0.012 -0.558 0.263 1.278 RESID 71 (M): -0.988 ----- -1.222 -2.012 -0.292 0.214 RESID 72 (S): 2.564 ----- -1.948 1.090 -0.559 0.147 RESID 73 (S): 4.992 ----- 0.070 -1.053 0.100 -0.093 RESID 74 (L): -3.618 ----- -0.576 -1.330 -0.526 1.319 RESID 75 (S): 2.251 ----- 0.806 2.127 -1.607 0.271 RESID 76 (I): 9.411 ----- 0.902 1.793 -3.851 0.026 RESID 77 (T): 3.114 ----- -0.288 -2.194 -0.747 -1.013 RESID 78 (E): -0.381 ----- 1.619 -1.738 -0.633 0.009 RESID 79 (K): 0.040 ----- 1.542 -0.302 -0.689 0.053 RESID 80 (R): -0.352 ----- 0.140 0.347 0.288 0.266 RESID 81 (Q): -0.713 ----- -2.072 -1.486 0.291 0.136 RESID 82 (Q): -2.047 ----- -0.548 -1.036 -0.580 -0.619 RESID 83 (E): -2.129 ----- -0.916 -1.402 1.896 -0.303 RESID 84 (I): 3.219 ----- -1.329 0.464 -0.668 0.281 RESID 85 (A): 0.217 ----- -0.210 -1.093 0.784 0.236 RESID 86 (F): -3.438 ----- 2.931 -0.914 0.269 -0.327 RESID 87 (T): -6.560 ----- 0.901 0.906 2.591 -0.419 RESID 88 (D): -1.647 ----- -0.654 -0.767 1.089 0.013 RESID 89 (K): 1.924 ----- -0.816 -1.645 0.213 0.036 RESID 90 (L): -2.530 ----- 0.154 -2.681 -1.343 0.209 RESID 91 (Y): 0.451 ----- -1.044 0.374 -2.874 -0.443 RESID 92 (A): 0.642 ----- -1.067 0.887 0.764 -0.941 RESID 93 (A): -0.765 ----- -0.928 0.420 -0.062 0.428 RESID 94 (D): 1.267 ----- -0.833 -1.241 -0.216 0.754 RESID 95 (S): -1.864 ----- -1.466 0.458 -0.090 -1.037 RESID 96 (R): 4.545 ----- -0.161 1.547 -0.283 0.397 RESID 97 (L): -1.007 ----- 1.670 0.343 -1.756 1.290 RESID 98 (V): 0.947 ----- 0.750 0.875 0.408 1.473 RESID 99 (V): -5.304 ----- 0.646 -0.836 0.882 1.031 RESID 100 (A): 0.987 ----- 0.647 2.083 -1.759 0.684 RESID 101 (K): -4.036 ----- -0.220 0.383 -0.484 -1.069 RESID 102 (N): -1.170 ----- 0.255 -2.307 -1.623 -0.234 RESID 103 (S): 0.148 ----- 2.730 0.696 0.393 0.076 RESID 104 (D): -0.796 ----- 1.714 -0.970 -0.602 -0.000 RESID 105 (I): -1.227 ----- -0.724 3.196 -2.970 -0.339 RESID 106 (Q): -0.616 ----- 0.677 -0.669 2.038 -0.207 RESID 107 (P): ----- ----- -0.477 -1.778 -3.915 ----- RESID 108 (T): -3.103 ----- -0.394 -3.894 -1.075 0.798 RESID 109 (V): -1.770 ----- 0.366 0.821 -2.191 0.285 RESID 110 (E): -3.905 ----- -0.261 -0.882 -0.874 0.028 RESID 111 (S): -0.223 ----- 0.585 -1.614 1.206 -1.049 RESID 112 (L): -4.300 ----- 0.010 -0.785 0.082 0.351 RESID 113 (K): 1.773 ----- 0.698 0.616 -1.397 -0.292 RESID 114 (G): 0.978 ----- -0.594 -0.124 ----- 0.098 RESID 115 (K): -1.104 ----- -1.322 -1.031 -1.291 0.653 RESID 116 (R): -1.528 ----- 0.571 -1.020 0.505 1.003 RESID 117 (V): 2.898 ----- 0.359 -0.133 -1.967 0.618 RESID 118 (G): 0.374 ----- -0.227 1.380 ----- 1.298 RESID 119 (V): -5.966 ----- 0.075 -2.178 -0.623 -0.133 RESID 120 (L): 0.247 ----- 1.240 -0.271 -1.405 0.139 RESID 121 (Q): 0.810 ----- -0.340 -0.409 -1.609 0.309 RESID 122 (G): -0.008 ----- 1.544 -0.230 ----- 0.627 RESID 123 (T): -1.699 ----- 2.396 0.244 2.896 -0.518 RESID 124 (T): 1.372 ----- 1.571 -0.689 -0.970 0.272 RESID 125 (Q): -1.810 ----- 0.214 1.907 -2.737 -0.756 RESID 126 (E): 2.106 ----- -1.295 -0.207 -0.909 -0.093 RESID 127 (T): 1.579 ----- -0.166 -0.508 -1.142 0.560 RESID 128 (F): -0.074 ----- 0.464 0.854 -0.111 0.292 RESID 129 (G): -0.107 ----- -0.383 -0.530 ----- -0.261 RESID 130 (N): 4.558 ----- 0.370 0.065 -0.627 0.349 RESID 131 (E): 2.270 ----- 0.806 1.232 -1.414 0.425 RESID 132 (H): -6.032 ----- 0.347 -1.863 0.698 -0.007 RESID 133 (W): 1.856 ----- 0.608 -0.984 0.646 0.155 RESID 134 (A): 0.755 ----- 0.482 0.760 -0.809 1.175 RESID 135 (P): ----- ----- -0.216 0.312 -0.174 ----- RESID 136 (K): -0.447 ----- -1.128 -2.388 -0.602 -0.477 RESID 137 (G): -2.267 ----- 0.770 0.363 ----- 0.193 RESID 138 (I): 5.025 ----- -0.392 0.351 -1.765 -0.596 RESID 139 (E): 1.126 ----- -1.199 0.437 -1.716 -0.106 RESID 140 (I): 7.836 ----- 1.335 -1.919 -6.148 0.287 RESID 141 (V): 7.744 ----- -0.097 -0.089 -3.781 0.409 RESID 142 (S): 2.778 ----- 1.468 0.383 -0.040 0.101 RESID 143 (Y): -2.683 ----- -0.480 -0.406 0.982 -0.290 RESID 144 (Q): -0.570 ----- 1.096 0.586 -1.388 0.232 RESID 145 (G): -0.531 ----- -0.662 -0.015 ----- -0.329 RESID 146 (Q): 1.408 ----- -0.147 -1.014 -0.438 0.086 RESID 147 (D): -0.521 ----- 0.422 -0.214 -0.851 -0.038 RESID 148 (N): -0.288 ----- -0.635 -0.461 0.598 -1.066 RESID 149 (I): 0.106 ----- -0.126 -0.588 -1.680 -0.381 RESID 150 (Y): -0.833 ----- 0.733 -1.932 -1.678 -0.492 RESID 151 (S): 2.101 ----- -0.022 -0.393 -0.116 -0.069 RESID 152 (D): -0.919 ----- 0.664 -0.288 -2.137 -0.093 RESID 153 (L): 2.928 ----- 1.764 0.618 -0.199 0.499 RESID 154 (T): -1.574 ----- 1.382 -1.488 -0.330 0.077 RESID 155 (A): 1.719 ----- 0.166 -0.675 -0.436 0.375 RESID 156 (G): 0.713 ----- -0.262 0.251 ----- -0.097 RESID 157 (R): -0.227 ----- 0.870 -0.359 -0.362 0.326 RESID 158 (I): -3.923 ----- -0.585 0.692 -1.004 -0.011 RESID 159 (D): -4.729 ----- -0.964 -0.389 1.932 0.248 RESID 160 (A): -0.032 ----- 0.584 -1.291 1.692 0.536 RESID 161 (A): 1.629 ----- -0.183 -0.578 -0.484 0.929 RESID 162 (F): 2.450 ----- -2.113 -3.748 0.606 0.499 RESID 163 (Q): 1.223 ----- -0.309 -0.092 1.235 -0.424 RESID 164 (D): 1.072 ----- -1.469 1.004 0.313 -0.151 RESID 165 (E): 5.694 ----- -0.450 0.077 0.171 -0.185 RESID 166 (V): 1.214 ----- 0.985 0.070 -0.249 0.501 RESID 167 (A): 3.152 ----- 3.405 0.261 -0.145 0.696 RESID 168 (A): -0.868 ----- 0.084 -0.365 0.300 0.430 RESID 169 (S): -1.015 ----- -0.469 -1.498 0.396 -0.106 RESID 170 (E): -4.814 ----- 1.368 -0.499 0.743 0.984 RESID 171 (G): -1.591 ----- -1.325 -0.312 ----- 0.824 RESID 172 (F): -2.426 ----- -2.514 -0.464 1.651 -1.016 RESID 173 (L): -0.009 ----- 0.702 0.786 -1.819 0.946 RESID 174 (K): -1.796 ----- 0.478 -0.817 -0.892 0.435 RESID 175 (Q): 1.832 ----- 2.004 0.234 -3.079 -0.126 RESID 176 (P): ----- ----- 1.597 0.723 -0.985 ----- RESID 177 (V): -4.988 ----- -1.855 -3.013 -0.344 -0.259 RESID 178 (G): 4.226 ----- 0.105 -1.987 ----- -0.454 RESID 179 (K): 1.789 ----- -0.545 -0.089 -1.042 -0.267 RESID 180 (D): 0.099 ----- -1.909 -1.903 -1.607 0.588 RESID 181 (Y): 5.532 ----- -1.152 0.183 -0.418 0.383 RESID 182 (K): -1.799 ----- 0.630 -2.115 2.269 0.666 RESID 183 (F): -3.191 ----- 2.672 -1.118 -4.662 0.341 RESID 184 (G): 4.717 ----- -1.556 1.983 ----- 0.287 RESID 185 (G): 2.196 ----- -1.757 -0.908 ----- -0.551 RESID 186 (P): ----- ----- -0.694 -2.525 0.759 ----- RESID 187 (S): -6.564 ----- -0.321 0.456 -2.406 0.129 RESID 188 (V): 1.545 ----- 0.280 -0.517 -1.998 1.238 RESID 189 (K): 2.765 ----- 2.615 -1.497 -0.943 -0.009 RESID 190 (D): -1.781 ----- -1.584 2.178 2.216 0.535 RESID 191 (E): 2.498 ----- -0.245 0.848 -1.096 0.398 RESID 192 (K): -1.284 ----- 0.083 -0.791 -0.454 -0.842 RESID 193 (L): 0.152 ----- 0.023 -1.184 0.266 1.225 RESID 194 (F): 3.327 ----- 2.383 -2.684 -2.364 0.736 RESID 195 (G): -1.946 ----- 0.308 -0.886 ----- -0.167 RESID 196 (V): -11.134 ----- -0.695 -3.552 -1.537 -0.233 RESID 197 (G): 2.793 ----- 0.292 -2.042 ----- 0.551 RESID 198 (T): -4.555 ----- -0.423 -0.279 -0.210 -0.156 RESID 199 (G): -4.694 ----- -0.794 -1.496 ----- 0.087 RESID 200 (M): 1.549 ----- 0.220 -0.009 -1.592 -0.530 RESID 201 (G): 1.521 ----- -0.787 0.128 ----- 0.497 RESID 202 (L): -0.083 ----- 0.129 0.908 -0.127 0.159 RESID 203 (R): 1.404 ----- 2.494 1.655 -1.671 2.004 RESID 204 (K): -1.451 ----- 0.655 -0.155 -0.233 0.569 RESID 205 (E): -3.410 ----- -0.238 -1.041 -1.154 0.805 RESID 206 (D): 5.197 ----- 0.784 0.030 -1.164 -0.769 RESID 207 (N): -0.333 ----- -0.121 0.520 -0.074 -0.891 RESID 208 (E): 1.948 ----- 1.524 0.937 -1.775 0.370 RESID 209 (L): 2.406 ----- -1.130 0.031 -1.153 0.582 RESID 210 (R): 0.286 ----- -0.776 0.190 0.088 -0.768 RESID 211 (E): -3.024 ----- 1.276 -0.113 -0.972 0.518 RESID 212 (A): 0.822 ----- 1.662 0.099 -0.974 0.557 RESID 213 (L): 1.511 ----- -1.248 -0.443 0.329 0.267 RESID 214 (N): 2.846 ----- 1.864 -0.600 -0.823 0.036 RESID 215 (K): 2.435 ----- -0.119 -0.308 -0.747 -0.354 RESID 216 (A): 0.445 ----- -0.018 -0.737 0.426 -0.385 RESID 217 (F): -0.651 ----- 0.225 1.164 -1.053 0.603 RESID 218 (A): 0.076 ----- 2.440 -0.410 -1.330 -0.225 RESID 219 (E): 0.956 ----- -0.412 -0.294 -1.161 0.094 RESID 220 (M): 2.646 ----- 0.347 -1.986 0.112 0.095 RESID 221 (R): 0.772 ----- 0.319 -0.410 -2.398 0.249 RESID 222 (A): 0.490 ----- 0.338 -0.401 -0.579 0.055 RESID 223 (D): 0.341 ----- 0.655 -0.166 -0.717 0.033 RESID 224 (G): -1.609 ----- -0.061 -1.250 ----- -0.247 RESID 225 (T): 5.281 ----- 0.421 -0.447 -1.949 -0.228 RESID 226 (Y): -0.210 ----- -0.915 0.209 0.077 0.391 RESID 227 (E): -0.475 ----- -0.502 -0.546 -0.323 -0.455 RESID 228 (K): -1.289 ----- 0.440 -0.227 -0.901 -0.816 RESID 229 (L): -0.301 ----- 0.496 -0.738 -0.356 -0.036 RESID 230 (A): -0.924 ----- 1.264 -0.640 -0.154 0.558 RESID 231 (K): -0.759 ----- -0.427 -1.406 -1.024 -0.000 RESID 232 (K): 0.920 ----- -2.369 -0.728 -1.405 -0.381 RESID 233 (Y): -3.029 ----- -0.647 -3.067 0.511 -0.989 RESID 234 (F): 2.955 ----- 2.362 -1.792 -1.517 -0.128 RESID 235 (D): 2.272 ----- -0.586 -0.730 0.193 0.251 RESID 236 (F): -6.626 ----- -0.004 -2.288 0.035 -0.661 RESID 237 (D): -2.238 ----- -1.350 0.303 -2.777 0.182 RESID 238 (V): 7.354 ----- -1.470 -3.276 0.560 -1.011 RESID 239 (Y): 4.368 ----- -1.991 0.852 0.201 0.419 RESID 240 (G): -0.352 ----- -0.297 0.605 ----- -1.006 DATA CS_STAT_INFO N RMS: 2.932 ppm Count: 226 Average Difference: -0.146 +/- 2.935 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.289 ppm Count: 236 Average Difference: -0.106 +/- 1.287 ppm DATA CS_STAT_INFO CA RMS: 1.329 ppm Count: 236 Average Difference: 0.526 +/- 1.223 ppm DATA CS_STAT_INFO CB RMS: 2.454 ppm Count: 215 Average Difference: 0.507 +/- 2.407 ppm DATA CS_STAT_INFO HN RMS: 0.586 ppm Count: 226 Average Difference: -0.118 +/- 0.576 ppm ############################################################################ For conformer 4: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.166 0.134 RESID 5 (I): C 174.300 174.300 174.345 -0.045 RESID 5 (I): CA 57.710 57.710 59.807 -2.097 RESID 5 (I): CB 37.260 37.260 37.755 -0.495 RESID 5 (I): H 7.868 7.868 8.233 -0.365 RESID 6 (P): C 176.100 176.100 176.817 -0.717 RESID 6 (P): CA 62.180 62.180 62.797 -0.617 RESID 6 (P): CB 31.620 31.620 32.348 -0.728 RESID 7 (Q): N 119.200 119.200 118.727 0.473 RESID 7 (Q): C 175.600 175.600 176.031 -0.431 RESID 7 (Q): CA 57.190 57.190 58.070 -0.880 RESID 7 (Q): CB 28.500 28.500 28.999 -0.499 RESID 7 (Q): H 8.380 8.380 8.721 -0.341 RESID 8 (N): N 116.300 116.300 114.583 1.717 RESID 8 (N): C 173.600 173.600 174.116 -0.516 RESID 8 (N): CA 51.720 51.720 52.288 -0.568 RESID 8 (N): CB 40.540 40.540 41.553 -1.013 RESID 8 (N): H 7.472 7.472 7.798 -0.326 RESID 9 (I): N 121.000 121.000 122.712 -1.712 RESID 9 (I): C 174.700 174.700 174.914 -0.214 RESID 9 (I): CA 59.480 59.480 60.058 -0.578 RESID 9 (I): CB 39.740 39.740 40.324 -0.584 RESID 9 (I): H 8.416 8.416 9.151 -0.735 RESID 10 (R): N 126.500 126.500 127.078 -0.578 RESID 10 (R): C 175.800 175.800 175.495 0.305 RESID 10 (R): CA 53.950 53.950 55.329 -1.379 RESID 10 (R): CB 30.670 30.670 31.448 -0.778 RESID 10 (R): H 9.098 9.098 8.671 0.427 RESID 11 (I): N 127.500 127.500 124.844 2.656 RESID 11 (I): C 175.600 175.600 175.071 0.529 RESID 11 (I): CA 59.480 59.480 59.401 0.079 RESID 11 (I): CB 37.460 37.460 41.750 -4.290 RESID 11 (I): H 9.279 9.279 9.104 0.175 RESID 12 (G): N 114.800 114.800 114.201 0.599 RESID 12 (G): C 171.700 171.700 173.040 -1.340 RESID 12 (G): CA 44.540 44.540 44.299 0.241 RESID 12 (G): H 9.382 9.382 8.562 0.820 RESID 13 (T): N 120.600 120.600 121.643 -1.043 RESID 13 (T): C 181.600 181.600 173.083 8.517 RESID 13 (T): CA 61.470 61.470 62.098 -0.628 RESID 13 (T): CB 69.970 69.970 71.668 -1.698 RESID 13 (T): H 8.594 8.594 7.976 0.618 RESID 14 (D): N 127.000 127.000 127.822 -0.822 RESID 14 (D): C 177.500 177.500 174.629 2.871 RESID 14 (D): CA 49.760 49.760 50.258 -0.498 RESID 14 (D): CB 40.580 40.580 42.326 -1.746 RESID 14 (D): H 8.200 8.200 8.670 -0.470 RESID 15 (P): C 175.400 175.400 176.499 -1.099 RESID 15 (P): CA 61.920 61.920 63.307 -1.387 RESID 15 (P): CB 27.890 27.890 32.363 -4.473 RESID 16 (T): N 116.200 116.200 110.743 5.457 RESID 16 (T): C 174.000 174.000 173.234 0.766 RESID 16 (T): CA 59.560 59.560 62.038 -2.478 RESID 16 (T): CB 68.650 68.650 69.840 -1.190 RESID 16 (T): H 8.739 8.739 8.309 0.430 RESID 17 (Y): N 125.800 125.800 121.795 4.005 RESID 17 (Y): C 175.200 175.200 175.646 -0.446 RESID 17 (Y): CA 54.180 54.180 56.165 -1.985 RESID 17 (Y): CB 38.700 38.700 38.562 0.138 RESID 17 (Y): H 8.943 8.943 8.076 0.867 RESID 18 (A): N 132.100 132.100 129.645 2.455 RESID 18 (A): C 176.000 176.000 176.485 -0.485 RESID 18 (A): CA 51.490 51.490 56.053 -4.563 RESID 18 (A): CB 16.070 16.070 16.250 -0.180 RESID 18 (A): H 8.945 8.945 8.919 0.026 RESID 19 (P): C 173.500 173.500 177.801 -4.301 RESID 19 (P): CA 62.890 62.890 65.239 -2.349 RESID 19 (P): CB 31.790 31.790 31.604 0.186 RESID 20 (F): N 125.100 125.100 117.248 7.852 RESID 20 (F): C 176.700 176.700 175.481 1.219 RESID 20 (F): CA 62.420 62.420 59.494 2.926 RESID 20 (F): CB 37.980 37.980 41.101 -3.121 RESID 20 (F): H 8.117 8.117 8.293 -0.176 RESID 21 (E): N 111.800 111.800 114.868 -3.068 RESID 21 (E): C 173.600 173.600 174.350 -0.750 RESID 21 (E): CA 54.400 54.400 55.300 -0.900 RESID 21 (E): CB 28.770 28.770 34.120 -5.350 RESID 21 (E): H 7.701 7.701 8.526 -0.825 RESID 22 (S): N 117.200 117.200 113.065 4.135 RESID 22 (S): C 171.500 171.500 172.279 -0.779 RESID 22 (S): CA 57.290 57.290 58.574 -1.284 RESID 22 (S): CB 62.940 62.940 64.160 -1.220 RESID 22 (S): H 8.750 8.750 8.303 0.447 RESID 23 (K): N 117.400 117.400 119.535 -2.135 RESID 23 (K): C 177.600 177.600 175.082 2.518 RESID 23 (K): CA 53.700 53.700 55.349 -1.649 RESID 23 (K): CB 33.330 33.330 35.081 -1.751 RESID 23 (K): H 8.238 8.238 8.253 -0.015 RESID 24 (N): N 122.400 122.400 121.160 1.240 RESID 24 (N): C 178.000 178.000 177.039 0.961 RESID 24 (N): CA 50.600 50.600 52.041 -1.441 RESID 24 (N): CB 38.140 38.140 40.062 -1.921 RESID 24 (N): H 8.584 8.584 8.600 -0.016 RESID 25 (S): C 175.400 175.400 175.406 -0.006 RESID 25 (S): CA 60.970 60.970 60.941 0.029 RESID 25 (S): CB 62.410 62.410 62.560 -0.150 RESID 26 (Q): N 119.300 119.300 119.488 -0.188 RESID 26 (Q): C 176.200 176.200 176.763 -0.563 RESID 26 (Q): CA 55.180 55.180 55.563 -0.383 RESID 26 (Q): CB 28.260 28.260 28.737 -0.477 RESID 26 (Q): H 7.520 7.520 7.891 -0.371 RESID 27 (G): N 108.800 108.800 107.730 1.070 RESID 27 (G): C 173.700 173.700 174.068 -0.368 RESID 27 (G): CA 45.050 45.050 45.063 -0.013 RESID 27 (G): H 8.169 8.169 7.890 0.279 RESID 28 (E): N 121.200 121.200 120.776 0.424 RESID 28 (E): C 175.800 175.800 175.630 0.170 RESID 28 (E): CA 54.490 54.490 55.981 -1.491 RESID 28 (E): CB 29.750 29.750 30.599 -0.849 RESID 28 (E): H 7.836 7.836 8.058 -0.222 RESID 29 (L): N 123.500 123.500 121.161 2.339 RESID 29 (L): C 176.400 176.400 175.995 0.405 RESID 29 (L): CA 54.310 54.310 53.702 0.608 RESID 29 (L): CB 41.180 41.180 42.878 -1.698 RESID 29 (L): H 8.281 8.281 8.338 -0.057 RESID 30 (V): N 118.200 118.200 122.427 -4.227 RESID 30 (V): C 175.300 175.300 173.596 1.704 RESID 30 (V): CA 58.360 58.360 60.107 -1.747 RESID 30 (V): CB 36.080 36.080 35.953 0.127 RESID 30 (V): H 8.900 8.900 7.877 1.023 RESID 31 (G): N 109.800 109.800 110.488 -0.688 RESID 31 (G): C 174.400 174.400 173.479 0.921 RESID 31 (G): CA 43.830 43.830 45.217 -1.387 RESID 31 (G): H 8.611 8.611 7.494 1.117 RESID 32 (F): N 119.900 119.900 122.542 -2.642 RESID 32 (F): C 177.900 177.900 175.873 2.027 RESID 32 (F): CA 59.800 59.800 60.557 -0.757 RESID 32 (F): CB 38.950 38.950 39.271 -0.321 RESID 32 (F): H 8.295 8.295 8.111 0.184 RESID 33 (D): N 116.500 116.500 119.092 -2.592 RESID 33 (D): C 179.100 179.100 178.035 1.065 RESID 33 (D): CA 56.180 56.180 56.576 -0.396 RESID 33 (D): CB 38.610 38.610 40.256 -1.646 RESID 33 (D): H 8.935 8.935 7.341 1.594 RESID 34 (I): N 118.800 118.800 119.665 -0.865 RESID 34 (I): C 178.000 178.000 177.752 0.248 RESID 34 (I): CA 60.950 60.950 64.726 -3.776 RESID 34 (I): CB 33.620 33.620 37.825 -4.205 RESID 34 (I): H 6.535 6.535 7.720 -1.185 RESID 35 (D): N 121.000 121.000 120.372 0.628 RESID 35 (D): C 180.300 180.300 178.679 1.621 RESID 35 (D): CA 57.100 57.100 57.413 -0.313 RESID 35 (D): CB 40.420 40.420 40.282 0.138 RESID 35 (D): H 8.536 8.536 7.781 0.755 RESID 36 (L): N 120.500 120.500 120.845 -0.345 RESID 36 (L): C 178.500 178.500 178.000 0.500 RESID 36 (L): CA 57.720 57.720 57.782 -0.062 RESID 36 (L): CB 42.230 42.230 41.583 0.647 RESID 36 (L): H 8.508 8.508 7.223 1.285 RESID 37 (A): N 120.200 120.200 121.598 -1.398 RESID 37 (A): C 178.600 178.600 179.589 -0.989 RESID 37 (A): CA 55.170 55.170 55.224 -0.054 RESID 37 (A): CB 17.340 17.340 18.469 -1.129 RESID 37 (A): H 8.383 8.383 7.663 0.720 RESID 38 (K): N 116.400 116.400 119.383 -2.983 RESID 38 (K): C 180.100 180.100 179.115 0.985 RESID 38 (K): CA 60.530 60.530 60.025 0.505 RESID 38 (K): CB 31.840 31.840 32.389 -0.548 RESID 38 (K): H 8.780 8.780 8.175 0.605 RESID 39 (E): N 121.500 121.500 119.480 2.020 RESID 39 (E): C 178.300 178.300 179.370 -1.070 RESID 39 (E): CA 58.430 58.430 59.328 -0.898 RESID 39 (E): CB 27.990 27.990 29.499 -1.509 RESID 39 (E): H 7.692 7.692 7.783 -0.091 RESID 40 (L): N 121.500 121.500 120.387 1.113 RESID 40 (L): C 178.700 178.700 178.804 -0.104 RESID 40 (L): CA 58.490 58.490 58.265 0.225 RESID 40 (L): CB 40.250 40.250 41.763 -1.513 RESID 40 (L): H 8.563 8.563 7.826 0.737 RESID 41 (C): N 115.700 115.700 118.426 -2.726 RESID 41 (C): C 175.800 175.800 177.467 -1.667 RESID 41 (C): CA 62.390 62.390 62.747 -0.357 RESID 41 (C): CB 46.860 46.860 25.470 21.390 RESID 41 (C): H 8.598 8.598 8.551 0.047 RESID 42 (K): N 119.300 119.300 119.618 -0.318 RESID 42 (K): C 180.800 180.800 179.107 1.693 RESID 42 (K): CA 58.810 58.810 59.435 -0.625 RESID 42 (K): CB 31.430 31.430 32.355 -0.925 RESID 42 (K): H 7.490 7.490 8.033 -0.543 RESID 43 (R): N 119.500 119.500 117.922 1.578 RESID 43 (R): C 178.700 178.700 178.664 0.036 RESID 43 (R): CA 58.760 58.760 58.452 0.308 RESID 43 (R): CB 29.980 29.980 30.227 -0.246 RESID 43 (R): H 8.057 8.057 7.622 0.435 RESID 44 (I): N 111.800 111.800 117.543 -5.743 RESID 44 (I): C 175.000 175.000 175.833 -0.833 RESID 44 (I): CA 60.940 60.940 63.053 -2.113 RESID 44 (I): CB 36.630 36.630 38.203 -1.573 RESID 44 (I): H 7.765 7.765 8.401 -0.636 RESID 45 (N): N 118.800 118.800 115.733 3.067 RESID 45 (N): C 173.600 173.600 173.948 -0.348 RESID 45 (N): CA 53.670 53.670 54.630 -0.960 RESID 45 (N): CB 36.620 36.620 35.917 0.703 RESID 45 (N): H 7.752 7.752 8.060 -0.308 RESID 46 (T): N 112.800 112.800 105.788 7.012 RESID 46 (T): C 173.100 173.100 172.840 0.260 RESID 46 (T): CA 60.020 60.020 60.272 -0.252 RESID 46 (T): CB 70.500 70.500 71.876 -1.376 RESID 46 (T): H 7.920 7.920 7.909 0.011 RESID 47 (Q): N 123.500 123.500 120.028 3.472 RESID 47 (Q): C 175.400 175.400 174.568 0.832 RESID 47 (Q): CA 54.550 54.550 55.108 -0.558 RESID 47 (Q): CB 28.670 28.670 30.451 -1.781 RESID 47 (Q): H 8.037 8.037 8.359 -0.322 RESID 48 (C): N 123.800 123.800 124.500 -0.700 RESID 48 (C): C 173.800 173.800 174.390 -0.590 RESID 48 (C): CA 53.170 53.170 57.890 -4.720 RESID 48 (C): CB 47.290 47.290 29.344 17.946 RESID 48 (C): H 8.881 8.881 8.688 0.193 RESID 49 (T): N 118.600 118.600 120.528 -1.928 RESID 49 (T): C 172.700 172.700 172.546 0.154 RESID 49 (T): CA 60.210 60.210 61.256 -1.046 RESID 49 (T): CB 70.980 70.980 71.072 -0.092 RESID 49 (T): H 8.324 8.324 8.848 -0.524 RESID 50 (F): N 123.800 123.800 125.946 -2.146 RESID 50 (F): C 175.800 175.800 175.958 -0.158 RESID 50 (F): CA 57.370 57.370 57.330 0.040 RESID 50 (F): CB 40.730 40.730 40.291 0.439 RESID 50 (F): H 8.982 8.982 8.617 0.365 RESID 51 (V): N 126.300 126.300 123.735 2.565 RESID 51 (V): C 174.700 174.700 174.725 -0.025 RESID 51 (V): CA 60.650 60.650 60.673 -0.023 RESID 51 (V): CB 33.700 33.700 35.389 -1.689 RESID 51 (V): H 9.271 9.271 9.099 0.172 RESID 52 (E): N 126.900 126.900 128.966 -2.066 RESID 52 (E): C 176.900 176.900 175.238 1.662 RESID 52 (E): CA 54.480 54.480 57.264 -2.784 RESID 52 (E): CB 29.350 29.350 30.414 -1.064 RESID 52 (E): H 8.617 8.617 8.772 -0.155 RESID 53 (N): N 127.100 127.100 120.638 6.462 RESID 53 (N): C 170.600 170.600 172.415 -1.815 RESID 53 (N): CA 51.220 51.220 51.466 -0.246 RESID 53 (N): CB 43.980 43.980 38.313 5.667 RESID 53 (N): H 8.917 8.917 8.236 0.681 RESID 54 (P): C 178.600 178.600 178.758 -0.158 RESID 54 (P): CA 61.650 61.650 62.355 -0.704 RESID 54 (P): CB 31.460 31.460 32.894 -1.434 RESID 55 (L): N 124.200 124.200 124.139 0.061 RESID 55 (L): C 179.600 179.600 178.720 0.880 RESID 55 (L): CA 58.130 58.130 59.237 -1.107 RESID 55 (L): CB 41.470 41.470 41.381 0.089 RESID 55 (L): H 9.096 9.096 8.780 0.316 RESID 56 (D): N 115.400 115.400 118.995 -3.595 RESID 56 (D): C 176.500 176.500 177.323 -0.823 RESID 56 (D): CA 56.080 56.080 56.866 -0.786 RESID 56 (D): CB 39.640 39.640 40.180 -0.540 RESID 56 (D): H 8.651 8.651 8.539 0.112 RESID 57 (A): N 120.400 120.400 119.882 0.518 RESID 57 (A): C 180.000 180.000 178.963 1.037 RESID 57 (A): CA 51.440 51.440 53.605 -2.164 RESID 57 (A): CB 19.170 19.170 19.651 -0.481 RESID 57 (A): H 8.079 8.079 8.308 -0.229 RESID 58 (L): N 122.300 122.300 121.180 1.120 RESID 58 (L): C 177.800 177.800 178.768 -0.968 RESID 58 (L): CA 58.960 58.960 58.105 0.855 RESID 58 (L): CB 40.150 40.150 41.916 -1.766 RESID 58 (L): H 7.783 7.783 8.108 -0.325 RESID 59 (I): N 119.600 119.600 119.497 0.103 RESID 59 (I): C 176.400 176.400 175.136 1.264 RESID 59 (I): CA 68.170 68.170 66.543 1.627 RESID 59 (I): CB 33.980 33.980 34.701 -0.721 RESID 59 (I): H 9.094 9.094 7.722 1.372 RESID 60 (P): C 180.100 180.100 179.223 0.877 RESID 60 (P): CA 65.890 65.890 66.518 -0.628 RESID 60 (P): CB 29.980 29.980 31.256 -1.276 RESID 61 (S): N 114.800 114.800 114.895 -0.095 RESID 61 (S): C 175.500 175.500 176.686 -1.186 RESID 61 (S): CA 62.170 62.170 61.849 0.321 RESID 61 (S): H 7.865 7.865 8.285 -0.420 RESID 62 (L): N 126.200 126.200 123.068 3.132 RESID 62 (L): C 181.000 181.000 179.003 1.997 RESID 62 (L): CA 57.400 57.400 57.753 -0.353 RESID 62 (L): CB 41.820 41.820 41.814 0.006 RESID 62 (L): H 8.296 8.296 8.104 0.192 RESID 63 (K): N 121.000 121.000 119.083 1.917 RESID 63 (K): C 178.000 178.000 177.866 0.134 RESID 63 (K): CA 59.500 59.500 59.160 0.340 RESID 63 (K): CB 30.770 30.770 32.495 -1.725 RESID 63 (K): H 8.461 8.461 7.766 0.695 RESID 64 (A): N 118.700 118.700 118.670 0.030 RESID 64 (A): C 176.200 176.200 176.678 -0.478 RESID 64 (A): CA 51.680 51.680 51.995 -0.315 RESID 64 (A): CB 18.140 18.140 18.624 -0.484 RESID 64 (A): H 7.686 7.686 7.918 -0.232 RESID 65 (K): N 112.200 112.200 114.020 -1.820 RESID 65 (K): C 176.000 176.000 176.471 -0.471 RESID 65 (K): CA 57.800 57.800 57.981 -0.181 RESID 65 (K): CB 27.730 27.730 29.915 -2.185 RESID 65 (K): H 7.751 7.751 7.674 0.077 RESID 66 (K): N 118.300 118.300 115.425 2.875 RESID 66 (K): C 176.600 176.600 177.137 -0.537 RESID 66 (K): CA 57.200 57.200 58.447 -1.247 RESID 66 (K): CB 32.170 32.170 33.009 -0.839 RESID 66 (K): H 8.415 8.415 7.806 0.609 RESID 67 (I): N 107.500 107.500 112.478 -4.978 RESID 67 (I): C 174.000 174.000 175.403 -1.403 RESID 67 (I): CA 59.050 59.050 59.036 0.014 RESID 67 (I): CB 40.470 40.470 41.046 -0.576 RESID 67 (I): H 7.034 7.034 7.258 -0.224 RESID 68 (D): N 119.000 119.000 121.855 -2.855 RESID 68 (D): C 172.200 172.200 175.774 -3.574 RESID 68 (D): CA 55.560 55.560 55.408 0.152 RESID 68 (D): CB 44.210 44.210 42.584 1.626 RESID 68 (D): H 9.739 9.739 8.602 1.137 RESID 69 (A): N 117.400 117.400 117.938 -0.538 RESID 69 (A): C 175.900 175.900 174.858 1.042 RESID 69 (A): CA 50.120 50.120 51.182 -1.062 RESID 69 (A): CB 21.960 21.960 22.071 -0.111 RESID 69 (A): H 7.660 7.660 7.627 0.033 RESID 70 (I): N 120.500 120.500 120.628 -0.128 RESID 70 (I): C 174.500 174.500 174.464 0.036 RESID 70 (I): CA 60.060 60.060 60.640 -0.580 RESID 70 (I): CB 41.190 41.190 40.985 0.205 RESID 70 (I): H 9.402 9.402 8.056 1.346 RESID 71 (M): N 128.300 128.300 128.985 -0.685 RESID 71 (M): C 172.500 172.500 174.037 -1.537 RESID 71 (M): CA 53.040 53.040 55.031 -1.991 RESID 71 (M): CB 33.940 33.940 34.001 -0.061 RESID 71 (M): H 8.431 8.431 8.305 0.126 RESID 72 (S): N 122.700 122.700 121.316 1.384 RESID 72 (S): C 172.800 172.800 173.732 -0.932 RESID 72 (S): CA 57.630 57.630 56.770 0.860 RESID 72 (S): CB 64.590 64.590 65.157 -0.567 RESID 72 (S): H 8.717 8.717 8.671 0.046 RESID 73 (S): N 120.600 120.600 116.369 4.231 RESID 73 (S): C 174.900 174.900 174.972 -0.072 RESID 73 (S): CA 58.590 58.590 59.767 -1.177 RESID 73 (S): CB 62.920 62.920 62.813 0.107 RESID 73 (S): H 8.570 8.570 8.592 -0.022 RESID 74 (L): N 120.700 120.700 123.693 -2.993 RESID 74 (L): C 175.300 175.300 175.840 -0.540 RESID 74 (L): CA 54.320 54.320 55.427 -1.107 RESID 74 (L): CB 42.350 42.350 42.674 -0.324 RESID 74 (L): H 8.678 8.678 7.683 0.995 RESID 75 (S): N 122.000 122.000 119.806 2.194 RESID 75 (S): C 174.500 174.500 173.673 0.827 RESID 75 (S): CA 59.250 59.250 56.861 2.389 RESID 75 (S): CB 63.060 63.060 64.785 -1.725 RESID 75 (S): H 8.142 8.142 7.864 0.278 RESID 76 (I): N 125.200 125.200 115.668 9.532 RESID 76 (I): C 175.500 175.500 174.547 0.953 RESID 76 (I): CA 61.340 61.340 59.599 1.740 RESID 76 (I): CB 35.790 35.790 39.677 -3.887 RESID 76 (I): H 8.307 8.307 8.243 0.064 RESID 77 (T): N 116.600 116.600 113.433 3.167 RESID 77 (T): C 174.800 174.800 175.068 -0.268 RESID 77 (T): CA 57.760 57.760 59.991 -2.231 RESID 77 (T): CB 71.570 71.570 72.310 -0.740 RESID 77 (T): H 6.513 6.513 7.524 -1.011 RESID 78 (E): N 124.500 124.500 124.860 -0.360 RESID 78 (E): C 179.500 179.500 177.882 1.618 RESID 78 (E): CA 59.140 59.140 60.859 -1.719 RESID 78 (E): CB 28.630 28.630 29.271 -0.641 RESID 78 (E): H 8.935 8.935 8.912 0.023 RESID 79 (K): N 118.400 118.400 118.313 0.087 RESID 79 (K): C 180.600 180.600 179.034 1.566 RESID 79 (K): CA 58.890 58.890 59.192 -0.302 RESID 79 (K): CB 31.610 31.610 32.300 -0.690 RESID 79 (K): H 8.415 8.415 8.366 0.049 RESID 80 (R): N 118.500 118.500 118.833 -0.333 RESID 80 (R): C 179.100 179.100 178.955 0.145 RESID 80 (R): CA 59.580 59.580 59.207 0.373 RESID 80 (R): CB 30.380 30.380 30.065 0.315 RESID 80 (R): H 7.678 7.678 7.398 0.280 RESID 81 (Q): N 119.000 119.000 119.768 -0.768 RESID 81 (Q): C 176.600 176.600 178.770 -2.170 RESID 81 (Q): CA 57.510 57.510 59.102 -1.592 RESID 81 (Q): CB 28.880 28.880 28.550 0.330 RESID 81 (Q): H 8.418 8.418 8.298 0.120 RESID 82 (Q): N 115.300 115.300 117.176 -1.876 RESID 82 (Q): C 177.400 177.400 177.783 -0.383 RESID 82 (Q): CA 57.280 57.280 58.387 -1.107 RESID 82 (Q): CB 27.950 27.950 28.470 -0.520 RESID 82 (Q): H 7.297 7.297 7.896 -0.599 RESID 83 (E): N 115.600 115.600 117.213 -1.613 RESID 83 (E): C 176.400 176.400 177.290 -0.890 RESID 83 (E): CA 56.950 56.950 58.266 -1.316 RESID 83 (E): CB 33.090 33.090 31.414 1.676 RESID 83 (E): H 7.627 7.627 7.889 -0.262 RESID 84 (I): N 115.100 115.100 111.865 3.235 RESID 84 (I): C 172.600 172.600 173.931 -1.331 RESID 84 (I): CA 59.380 59.380 58.897 0.483 RESID 84 (I): CB 40.830 40.830 41.514 -0.684 RESID 84 (I): H 8.275 8.275 7.980 0.295 RESID 85 (A): N 120.600 120.600 120.375 0.225 RESID 85 (A): C 175.000 175.000 175.260 -0.260 RESID 85 (A): CA 49.150 49.150 50.270 -1.119 RESID 85 (A): CB 22.280 22.280 21.410 0.870 RESID 85 (A): H 8.679 8.679 8.401 0.278 RESID 86 (F): N 115.500 115.500 119.115 -3.615 RESID 86 (F): C 178.800 178.800 175.814 2.986 RESID 86 (F): CA 55.850 55.850 56.912 -1.062 RESID 86 (F): CB 44.300 44.300 44.038 0.263 RESID 86 (F): H 8.283 8.283 8.615 -0.332 RESID 87 (T): N 108.200 108.200 114.972 -6.772 RESID 87 (T): C 174.700 174.700 173.788 0.912 RESID 87 (T): CA 61.930 61.930 61.169 0.761 RESID 87 (T): CB 72.740 72.740 70.088 2.652 RESID 87 (T): H 7.898 7.898 8.394 -0.496 RESID 88 (D): N 118.400 118.400 120.399 -1.999 RESID 88 (D): C 174.300 174.300 175.628 -1.328 RESID 88 (D): CA 55.030 55.030 55.776 -0.746 RESID 88 (D): CB 40.870 40.870 39.824 1.046 RESID 88 (D): H 8.789 8.789 8.806 -0.017 RESID 89 (K): N 118.100 118.100 116.624 1.476 RESID 89 (K): C 176.200 176.200 176.687 -0.487 RESID 89 (K): CA 55.570 55.570 57.275 -1.705 RESID 89 (K): CB 31.850 31.850 31.515 0.335 RESID 89 (K): H 7.666 7.666 7.697 -0.031 RESID 90 (L): N 123.400 123.400 126.403 -3.003 RESID 90 (L): C 178.000 178.000 177.716 0.284 RESID 90 (L): CA 54.450 54.450 57.298 -2.849 RESID 90 (L): CB 41.710 41.710 43.332 -1.622 RESID 90 (L): H 8.778 8.778 8.768 0.010 RESID 91 (Y): N 110.500 110.500 110.046 0.454 RESID 91 (Y): C 172.600 172.600 173.690 -1.090 RESID 91 (Y): CA 56.070 56.070 55.535 0.535 RESID 91 (Y): CB 37.670 37.670 40.580 -2.910 RESID 91 (Y): H 6.810 6.810 7.188 -0.378 RESID 92 (A): N 123.100 123.100 122.564 0.536 RESID 92 (A): C 175.600 175.600 176.777 -1.177 RESID 92 (A): CA 51.940 51.940 51.109 0.831 RESID 92 (A): CB 20.320 20.320 19.606 0.714 RESID 92 (A): H 8.135 8.135 9.105 -0.970 RESID 93 (A): N 127.000 127.000 127.747 -0.747 RESID 93 (A): C 175.700 175.700 176.685 -0.985 RESID 93 (A): CA 51.020 51.020 50.677 0.343 RESID 93 (A): CB 18.310 18.310 18.355 -0.045 RESID 93 (A): H 8.658 8.658 8.398 0.260 RESID 94 (D): N 122.900 122.900 121.708 1.192 RESID 94 (D): C 175.300 175.300 176.154 -0.854 RESID 94 (D): CA 53.910 53.910 55.186 -1.276 RESID 94 (D): CB 42.030 42.030 42.250 -0.220 RESID 94 (D): H 8.497 8.497 7.745 0.752 RESID 95 (S): N 110.300 110.300 112.164 -1.864 RESID 95 (S): C 171.600 171.600 173.075 -1.475 RESID 95 (S): CA 57.850 57.850 57.357 0.493 RESID 95 (S): CB 66.410 66.410 66.506 -0.096 RESID 95 (S): H 6.844 6.844 7.877 -1.033 RESID 96 (R): N 124.300 124.300 119.754 4.546 RESID 96 (R): C 173.700 173.700 173.840 -0.140 RESID 96 (R): CA 57.450 57.450 55.898 1.552 RESID 96 (R): CB 34.070 34.070 34.342 -0.272 RESID 96 (R): H 9.227 9.227 8.815 0.412 RESID 97 (L): N 124.100 124.100 125.110 -1.010 RESID 97 (L): C 177.600 177.600 175.924 1.676 RESID 97 (L): CA 54.150 54.150 53.771 0.379 RESID 97 (L): CB 42.640 42.640 44.432 -1.792 RESID 97 (L): H 9.343 9.343 8.039 1.304 RESID 98 (V): N 124.500 124.500 123.624 0.876 RESID 98 (V): C 175.700 175.700 174.982 0.718 RESID 98 (V): CA 61.770 61.770 60.850 0.920 RESID 98 (V): CB 32.950 32.950 32.498 0.452 RESID 98 (V): H 9.500 9.500 8.033 1.467 RESID 99 (V): N 116.800 116.800 122.220 -5.420 RESID 99 (V): C 174.600 174.600 173.849 0.751 RESID 99 (V): CA 58.190 58.190 58.475 -0.285 RESID 99 (V): CB 36.780 36.780 35.516 1.264 RESID 99 (V): H 9.192 9.192 8.128 1.064 RESID 100 (A): N 123.400 123.400 122.600 0.800 RESID 100 (A): C 179.200 179.200 178.442 0.758 RESID 100 (A): CA 52.690 52.690 50.627 2.063 RESID 100 (A): CB 18.160 18.160 20.005 -1.845 RESID 100 (A): H 9.043 9.043 8.366 0.677 RESID 101 (K): N 119.600 119.600 123.645 -4.045 RESID 101 (K): C 176.800 176.800 176.997 -0.197 RESID 101 (K): CA 59.360 59.360 58.972 0.388 RESID 101 (K): CB 31.380 31.380 31.864 -0.484 RESID 101 (K): H 7.840 7.840 8.910 -1.070 RESID 102 (N): N 114.400 114.400 115.644 -1.244 RESID 102 (N): C 175.500 175.500 175.252 0.248 RESID 102 (N): CA 52.330 52.330 54.600 -2.270 RESID 102 (N): CB 36.990 36.990 38.569 -1.579 RESID 102 (N): H 7.941 7.941 8.173 -0.232 RESID 103 (S): N 114.800 114.800 114.721 0.079 RESID 103 (S): C 176.000 176.000 173.276 2.724 RESID 103 (S): CA 58.180 58.180 57.468 0.712 RESID 103 (S): CB 64.310 64.310 63.921 0.389 RESID 103 (S): H 7.700 7.700 7.631 0.069 RESID 104 (D): N 128.500 128.500 129.291 -0.791 RESID 104 (D): C 176.700 176.700 174.985 1.715 RESID 104 (D): CA 52.990 52.990 53.968 -0.978 RESID 104 (D): CB 40.330 40.330 40.922 -0.592 RESID 104 (D): H 8.548 8.548 8.546 0.002 RESID 105 (I): N 122.800 122.800 124.034 -1.234 RESID 105 (I): C 173.800 173.800 174.509 -0.709 RESID 105 (I): CA 63.580 63.580 60.384 3.196 RESID 105 (I): CB 37.490 37.490 40.482 -2.992 RESID 105 (I): H 7.826 7.826 8.161 -0.335 RESID 106 (Q): N 124.600 124.600 125.175 -0.575 RESID 106 (Q): C 174.700 174.700 173.998 0.702 RESID 106 (Q): CA 51.380 51.380 52.033 -0.653 RESID 106 (Q): CB 31.050 31.050 29.014 2.036 RESID 106 (Q): H 8.174 8.174 8.386 -0.212 RESID 107 (P): C 175.300 175.300 175.778 -0.478 RESID 107 (P): CA 61.880 61.880 63.665 -1.785 RESID 107 (P): CB 26.860 26.860 30.790 -3.930 RESID 108 (T): N 114.600 114.600 117.713 -3.113 RESID 108 (T): C 174.000 174.000 174.381 -0.381 RESID 108 (T): CA 57.690 57.690 61.581 -3.891 RESID 108 (T): CB 71.020 71.020 72.092 -1.072 RESID 108 (T): H 8.531 8.531 7.714 0.817 RESID 109 (V): N 121.800 121.800 123.487 -1.687 RESID 109 (V): C 177.300 177.300 176.934 0.366 RESID 109 (V): CA 65.600 65.600 64.765 0.835 RESID 109 (V): CB 30.580 30.580 32.776 -2.196 RESID 109 (V): H 8.775 8.775 8.487 0.288 RESID 110 (E): N 116.900 116.900 120.247 -3.347 RESID 110 (E): C 178.400 178.400 178.897 -0.497 RESID 110 (E): CA 59.260 59.260 60.153 -0.893 RESID 110 (E): CB 28.170 28.170 29.017 -0.847 RESID 110 (E): H 8.414 8.414 8.767 -0.353 RESID 111 (S): N 113.200 113.200 113.272 -0.072 RESID 111 (S): C 176.500 176.500 175.742 0.758 RESID 111 (S): CA 59.370 59.370 60.811 -1.441 RESID 111 (S): CB 63.730 63.730 62.468 1.262 RESID 111 (S): H 7.387 7.387 8.521 -1.134 RESID 112 (L): N 116.100 116.100 120.406 -4.306 RESID 112 (L): C 176.700 176.700 176.692 0.008 RESID 112 (L): CA 54.580 54.580 55.359 -0.779 RESID 112 (L): CB 42.650 42.650 42.567 0.083 RESID 112 (L): H 7.676 7.676 7.328 0.348 RESID 113 (K): N 121.000 121.000 119.226 1.774 RESID 113 (K): C 178.200 178.200 177.506 0.694 RESID 113 (K): CA 58.850 58.850 58.226 0.624 RESID 113 (K): CB 30.850 30.850 32.252 -1.402 RESID 113 (K): H 7.445 7.445 7.737 -0.292 RESID 114 (G): N 113.900 113.900 112.935 0.965 RESID 114 (G): C 174.200 174.200 174.793 -0.593 RESID 114 (G): CA 45.240 45.240 45.364 -0.124 RESID 114 (G): H 8.454 8.454 8.358 0.096 RESID 115 (K): N 120.600 120.600 121.703 -1.103 RESID 115 (K): C 174.800 174.800 176.119 -1.319 RESID 115 (K): CA 53.710 53.710 54.750 -1.040 RESID 115 (K): CB 31.990 31.990 33.280 -1.290 RESID 115 (K): H 8.530 8.530 7.871 0.659 RESID 116 (R): N 119.300 119.300 120.850 -1.550 RESID 116 (R): C 176.000 176.000 175.414 0.586 RESID 116 (R): CA 54.720 54.720 55.750 -1.030 RESID 116 (R): CB 32.310 32.310 31.789 0.521 RESID 116 (R): H 9.455 9.455 8.444 1.011 RESID 117 (V): N 126.100 126.100 123.283 2.817 RESID 117 (V): C 175.300 175.300 174.957 0.343 RESID 117 (V): CA 60.090 60.090 60.218 -0.128 RESID 117 (V): CB 33.620 33.620 35.555 -1.935 RESID 117 (V): H 9.217 9.217 8.591 0.626 RESID 118 (G): N 114.000 114.000 113.649 0.351 RESID 118 (G): C 172.300 172.300 172.536 -0.236 RESID 118 (G): CA 45.010 45.010 43.631 1.379 RESID 118 (G): H 9.367 9.367 8.071 1.296 RESID 119 (V): N 116.400 116.400 122.383 -5.983 RESID 119 (V): C 174.100 174.100 174.040 0.060 RESID 119 (V): CA 58.270 58.270 60.455 -2.185 RESID 119 (V): CB 36.370 36.370 36.986 -0.616 RESID 119 (V): H 9.166 9.166 9.302 -0.136 RESID 120 (L): N 124.400 124.400 124.158 0.242 RESID 120 (L): C 176.900 176.900 175.657 1.243 RESID 120 (L): CA 53.690 53.690 53.967 -0.277 RESID 120 (L): CB 41.240 41.240 42.652 -1.412 RESID 120 (L): H 8.961 8.961 8.825 0.136 RESID 121 (Q): N 128.000 128.000 127.148 0.852 RESID 121 (Q): C 176.900 176.900 177.241 -0.341 RESID 121 (Q): CA 56.680 56.680 57.095 -0.415 RESID 121 (Q): CB 27.920 27.920 29.531 -1.611 RESID 121 (Q): H 9.305 9.305 8.993 0.312 RESID 122 (G): N 113.600 113.600 113.624 -0.024 RESID 122 (G): C 175.100 175.100 173.561 1.539 RESID 122 (G): CA 45.240 45.240 45.472 -0.232 RESID 122 (G): H 9.383 9.383 8.733 0.650 RESID 123 (T): N 108.400 108.400 110.108 -1.708 RESID 123 (T): C 176.800 176.800 174.392 2.408 RESID 123 (T): CA 60.260 60.260 59.997 0.263 RESID 123 (T): CB 73.530 73.530 70.643 2.887 RESID 123 (T): H 7.220 7.220 7.739 -0.519 RESID 124 (T): N 113.900 113.900 112.581 1.319 RESID 124 (T): C 178.100 178.100 176.535 1.565 RESID 124 (T): CA 63.990 63.990 64.721 -0.731 RESID 124 (T): CB 67.740 67.740 68.698 -0.958 RESID 124 (T): H 8.934 8.934 8.657 0.277 RESID 125 (Q): N 120.600 120.600 122.401 -1.801 RESID 125 (Q): C 178.300 178.300 178.110 0.190 RESID 125 (Q): CA 61.670 61.670 59.755 1.915 RESID 125 (Q): CB 25.310 25.310 28.039 -2.729 RESID 125 (Q): H 7.521 7.521 8.281 -0.760 RESID 126 (E): N 121.900 121.900 119.763 2.137 RESID 126 (E): C 177.600 177.600 178.902 -1.302 RESID 126 (E): CA 59.630 59.630 59.822 -0.192 RESID 126 (E): CB 28.730 28.730 29.640 -0.910 RESID 126 (E): H 7.717 7.717 7.806 -0.089 RESID 127 (T): N 117.800 117.800 116.249 1.551 RESID 127 (T): C 176.200 176.200 176.367 -0.167 RESID 127 (T): CA 66.340 66.340 66.813 -0.473 RESID 127 (T): CB 67.590 67.590 68.726 -1.136 RESID 127 (T): H 8.175 8.175 7.621 0.554 RESID 128 (F): N 121.900 121.900 121.955 -0.055 RESID 128 (F): C 178.000 178.000 177.546 0.454 RESID 128 (F): CA 61.590 61.590 60.736 0.854 RESID 128 (F): CB 38.810 38.810 38.928 -0.118 RESID 128 (F): H 8.882 8.882 8.622 0.260 RESID 129 (G): N 107.000 107.000 107.095 -0.095 RESID 129 (G): C 176.100 176.100 176.475 -0.375 RESID 129 (G): CA 46.690 46.690 47.218 -0.528 RESID 129 (G): H 8.900 8.900 9.155 -0.255 RESID 130 (N): N 123.000 123.000 118.429 4.571 RESID 130 (N): C 176.200 176.200 175.828 0.372 RESID 130 (N): CA 55.400 55.400 55.334 0.067 RESID 130 (N): CB 37.570 37.570 38.196 -0.626 RESID 130 (N): H 8.915 8.915 8.551 0.364 RESID 131 (E): N 119.000 119.000 116.726 2.274 RESID 131 (E): C 177.900 177.900 177.095 0.805 RESID 131 (E): CA 57.940 57.940 56.707 1.233 RESID 131 (E): CB 29.350 29.350 30.762 -1.412 RESID 131 (E): H 7.907 7.907 7.482 0.425 RESID 132 (H): N 112.600 112.600 118.644 -6.044 RESID 132 (H): C 175.900 175.900 175.555 0.345 RESID 132 (H): CA 56.910 56.910 58.799 -1.889 RESID 132 (H): CB 30.510 30.510 29.812 0.698 RESID 132 (H): H 7.877 7.877 7.872 0.005 RESID 133 (W): N 119.300 119.300 117.440 1.860 RESID 133 (W): C 176.800 176.800 176.181 0.619 RESID 133 (W): CA 55.570 55.570 56.542 -0.972 RESID 133 (W): CB 30.400 30.400 29.726 0.674 RESID 133 (W): H 7.653 7.653 7.488 0.165 RESID 134 (A): N 125.400 125.400 124.651 0.749 RESID 134 (A): C 177.700 177.700 177.221 0.479 RESID 134 (A): CA 55.410 55.410 54.622 0.788 RESID 134 (A): CB 15.990 15.990 16.808 -0.818 RESID 134 (A): H 8.711 8.711 7.535 1.176 RESID 135 (P): C 177.200 177.200 177.387 -0.187 RESID 135 (P): CA 64.510 64.510 64.195 0.315 RESID 135 (P): CB 30.800 30.800 30.987 -0.187 RESID 136 (K): N 115.800 115.800 116.211 -0.411 RESID 136 (K): C 176.500 176.500 177.628 -1.128 RESID 136 (K): CA 53.530 53.530 55.926 -2.397 RESID 136 (K): CB 31.430 31.430 32.043 -0.613 RESID 136 (K): H 7.665 7.665 8.127 -0.462 RESID 137 (G): N 106.100 106.100 108.358 -2.258 RESID 137 (G): C 174.300 174.300 173.515 0.785 RESID 137 (G): CA 45.740 45.740 45.375 0.365 RESID 137 (G): H 7.864 7.864 7.669 0.195 RESID 138 (I): N 124.400 124.400 119.355 5.045 RESID 138 (I): C 174.400 174.400 174.795 -0.395 RESID 138 (I): CA 60.460 60.460 60.099 0.361 RESID 138 (I): CB 38.080 38.080 39.863 -1.783 RESID 138 (I): H 6.889 6.889 7.479 -0.590 RESID 139 (E): N 128.400 128.400 127.263 1.137 RESID 139 (E): C 173.900 173.900 175.099 -1.199 RESID 139 (E): CA 56.050 56.050 55.607 0.443 RESID 139 (E): CB 29.490 29.490 31.227 -1.738 RESID 139 (E): H 8.230 8.230 8.333 -0.103 RESID 140 (I): N 129.500 129.500 121.638 7.862 RESID 140 (I): C 176.100 176.100 174.769 1.331 RESID 140 (I): CA 57.100 57.100 59.023 -1.923 RESID 140 (I): CB 34.440 34.440 40.600 -6.160 RESID 140 (I): H 8.642 8.642 8.354 0.288 RESID 141 (V): N 133.000 133.000 125.242 7.758 RESID 141 (V): C 174.400 174.400 174.509 -0.109 RESID 141 (V): CA 61.060 61.060 61.150 -0.090 RESID 141 (V): CB 32.410 32.410 36.184 -3.774 RESID 141 (V): H 9.387 9.387 8.940 0.447 RESID 142 (S): N 122.900 122.900 120.123 2.777 RESID 142 (S): C 175.000 175.000 173.532 1.468 RESID 142 (S): CA 57.710 57.710 57.361 0.348 RESID 142 (S): CB 63.710 63.710 63.723 -0.013 RESID 142 (S): H 8.490 8.490 8.391 0.099 RESID 143 (Y): N 123.400 123.400 126.123 -2.723 RESID 143 (Y): C 175.900 175.900 176.383 -0.483 RESID 143 (Y): CA 57.300 57.300 57.712 -0.412 RESID 143 (Y): CB 42.300 42.300 41.314 0.986 RESID 143 (Y): H 8.979 8.979 9.259 -0.280 RESID 144 (Q): N 119.500 119.500 120.083 -0.583 RESID 144 (Q): C 176.000 176.000 174.906 1.094 RESID 144 (Q): CA 56.490 56.490 55.910 0.580 RESID 144 (Q): CB 28.470 28.470 29.858 -1.388 RESID 144 (Q): H 8.974 8.974 8.742 0.232 RESID 145 (G): N 106.800 106.800 107.342 -0.542 RESID 145 (G): C 173.500 173.500 174.164 -0.664 RESID 145 (G): CA 44.300 44.300 44.331 -0.031 RESID 145 (G): H 7.531 7.531 7.861 -0.330 RESID 146 (Q): N 124.300 124.300 122.895 1.405 RESID 146 (Q): C 177.200 177.200 177.346 -0.146 RESID 146 (Q): CA 57.800 57.800 58.790 -0.990 RESID 146 (Q): CB 28.190 28.190 28.623 -0.433 RESID 146 (Q): H 8.949 8.949 8.859 0.090 RESID 147 (D): N 117.900 117.900 118.454 -0.554 RESID 147 (D): C 178.900 178.900 178.486 0.414 RESID 147 (D): CA 56.650 56.650 56.900 -0.250 RESID 147 (D): CB 38.890 38.890 39.738 -0.848 RESID 147 (D): H 8.746 8.746 8.785 -0.039 RESID 148 (N): N 117.500 117.500 117.694 -0.194 RESID 148 (N): C 176.700 176.700 177.283 -0.583 RESID 148 (N): CA 55.160 55.160 55.597 -0.437 RESID 148 (N): CB 38.700 38.700 38.093 0.607 RESID 148 (N): H 7.496 7.496 8.559 -1.063 RESID 149 (I): N 120.000 120.000 119.813 0.187 RESID 149 (I): C 177.400 177.400 177.533 -0.133 RESID 149 (I): CA 64.450 64.450 65.062 -0.612 RESID 149 (I): CB 35.900 35.900 37.575 -1.675 RESID 149 (I): H 6.793 6.793 7.093 -0.300 RESID 150 (Y): N 117.400 117.400 118.240 -0.840 RESID 150 (Y): C 178.800 178.800 178.053 0.747 RESID 150 (Y): CA 59.730 59.730 61.681 -1.951 RESID 150 (Y): CB 35.970 35.970 37.638 -1.668 RESID 150 (Y): H 6.897 6.897 7.395 -0.498 RESID 151 (S): N 117.000 117.000 114.930 2.070 RESID 151 (S): C 177.000 177.000 177.010 -0.010 RESID 151 (S): CA 61.300 61.300 61.686 -0.386 RESID 151 (S): CB 62.100 62.100 62.224 -0.124 RESID 151 (S): H 8.186 8.186 8.238 -0.052 RESID 152 (D): N 122.300 122.300 123.190 -0.890 RESID 152 (D): C 179.000 179.000 178.331 0.669 RESID 152 (D): CA 56.580 56.580 56.870 -0.290 RESID 152 (D): CB 38.240 38.240 40.384 -2.144 RESID 152 (D): H 7.541 7.541 7.718 -0.177 RESID 153 (L): N 124.100 124.100 121.187 2.913 RESID 153 (L): C 180.300 180.300 178.534 1.766 RESID 153 (L): CA 58.160 58.160 57.548 0.612 RESID 153 (L): CB 41.630 41.630 41.820 -0.190 RESID 153 (L): H 8.372 8.372 7.873 0.499 RESID 154 (T): N 111.900 111.900 113.441 -1.541 RESID 154 (T): C 176.700 176.700 175.358 1.342 RESID 154 (T): CA 63.920 63.920 65.376 -1.456 RESID 154 (T): CB 68.700 68.700 69.012 -0.312 RESID 154 (T): H 8.389 8.389 8.329 0.060 RESID 155 (A): N 121.800 121.800 120.105 1.695 RESID 155 (A): C 178.200 178.200 178.035 0.165 RESID 155 (A): CA 51.640 51.640 52.311 -0.671 RESID 155 (A): CB 18.990 18.990 19.428 -0.438 RESID 155 (A): H 7.444 7.444 7.070 0.374 RESID 156 (G): N 107.800 107.800 107.125 0.675 RESID 156 (G): C 175.100 175.100 175.357 -0.257 RESID 156 (G): CA 45.420 45.420 45.181 0.239 RESID 156 (G): H 7.921 7.921 7.989 -0.068 RESID 157 (R): N 119.000 119.000 119.186 -0.186 RESID 157 (R): C 176.600 176.600 175.726 0.874 RESID 157 (R): CA 57.260 57.260 57.590 -0.330 RESID 157 (R): CB 30.400 30.400 30.765 -0.365 RESID 157 (R): H 8.443 8.443 8.132 0.311 RESID 158 (I): N 108.900 108.900 112.808 -3.908 RESID 158 (I): C 173.700 173.700 174.284 -0.584 RESID 158 (I): CA 59.900 59.900 59.207 0.693 RESID 158 (I): CB 40.070 40.070 41.078 -1.008 RESID 158 (I): H 7.109 7.109 7.119 -0.010 RESID 159 (D): N 119.100 119.100 123.787 -4.687 RESID 159 (D): C 174.700 174.700 175.664 -0.964 RESID 159 (D): CA 55.900 55.900 56.315 -0.415 RESID 159 (D): CB 43.630 43.630 41.708 1.922 RESID 159 (D): H 8.737 8.737 8.468 0.269 RESID 160 (A): N 116.400 116.400 116.416 -0.016 RESID 160 (A): C 174.900 174.900 174.317 0.583 RESID 160 (A): CA 50.190 50.190 51.483 -1.293 RESID 160 (A): CB 23.030 23.030 21.348 1.682 RESID 160 (A): H 7.702 7.702 7.168 0.534 RESID 161 (A): N 123.400 123.400 121.780 1.620 RESID 161 (A): C 175.500 175.500 175.680 -0.180 RESID 161 (A): CA 49.730 49.730 50.274 -0.544 RESID 161 (A): CB 21.110 21.110 21.609 -0.499 RESID 161 (A): H 8.915 8.915 7.995 0.920 RESID 162 (F): N 125.100 125.100 122.575 2.525 RESID 162 (F): C 172.900 172.900 174.996 -2.096 RESID 162 (F): CA 54.500 54.500 58.246 -3.746 RESID 162 (F): CB 39.400 39.400 38.803 0.597 RESID 162 (F): H 8.971 8.971 8.425 0.546 RESID 163 (Q): N 124.600 124.600 123.375 1.225 RESID 163 (Q): C 173.400 173.400 173.704 -0.304 RESID 163 (Q): CA 53.550 53.550 53.632 -0.082 RESID 163 (Q): CB 34.390 34.390 33.156 1.234 RESID 163 (Q): H 7.904 7.904 8.345 -0.441 RESID 164 (D): N 122.300 122.300 121.295 1.005 RESID 164 (D): C 175.800 175.800 177.245 -1.445 RESID 164 (D): CA 55.540 55.540 54.479 1.061 RESID 164 (D): CB 42.370 42.370 42.046 0.324 RESID 164 (D): H 8.304 8.304 8.440 -0.136 RESID 165 (E): N 128.600 128.600 122.898 5.702 RESID 165 (E): C 177.700 177.700 178.123 -0.423 RESID 165 (E): CA 60.230 60.230 60.135 0.095 RESID 165 (E): CB 30.020 30.020 29.832 0.188 RESID 165 (E): H 8.605 8.605 8.768 -0.164 RESID 166 (V): N 120.100 120.100 118.850 1.250 RESID 166 (V): C 178.300 178.300 177.280 1.020 RESID 166 (V): CA 66.800 66.800 66.701 0.099 RESID 166 (V): CB 30.070 30.070 30.269 -0.199 RESID 166 (V): H 8.748 8.748 8.199 0.549 RESID 167 (A): N 123.200 123.200 120.072 3.128 RESID 167 (A): C 182.500 182.500 179.091 3.409 RESID 167 (A): CA 54.980 54.980 54.712 0.268 RESID 167 (A): CB 17.910 17.910 18.041 -0.131 RESID 167 (A): H 8.655 8.655 7.901 0.754 RESID 168 (A): N 121.300 121.300 122.173 -0.873 RESID 168 (A): C 179.800 179.800 179.799 0.001 RESID 168 (A): CA 54.180 54.180 54.559 -0.379 RESID 168 (A): CB 18.750 18.750 18.438 0.312 RESID 168 (A): H 8.349 8.349 7.906 0.443 RESID 169 (S): N 113.400 113.400 114.305 -0.905 RESID 169 (S): C 175.700 175.700 176.243 -0.543 RESID 169 (S): CA 61.050 61.050 62.840 -1.790 RESID 169 (S): CB 63.050 63.050 62.572 0.478 RESID 169 (S): H 8.058 8.058 8.170 -0.112 RESID 170 (E): N 115.600 115.600 120.390 -4.790 RESID 170 (E): C 178.800 178.800 177.415 1.385 RESID 170 (E): CA 57.610 57.610 58.096 -0.485 RESID 170 (E): CB 29.790 29.790 29.059 0.731 RESID 170 (E): H 8.824 8.824 7.836 0.988 RESID 171 (G): N 103.400 103.400 104.969 -1.569 RESID 171 (G): C 173.700 173.700 174.999 -1.299 RESID 171 (G): CA 44.970 44.970 45.271 -0.301 RESID 171 (G): H 8.154 8.154 7.343 0.811 RESID 172 (F): N 120.100 120.100 122.487 -2.387 RESID 172 (F): C 175.200 175.200 177.687 -2.487 RESID 172 (F): CA 60.690 60.690 61.136 -0.446 RESID 172 (F): CB 40.740 40.740 39.094 1.646 RESID 172 (F): H 7.297 7.297 8.336 -1.039 RESID 173 (L): N 117.800 117.800 117.747 0.053 RESID 173 (L): C 179.000 179.000 178.288 0.712 RESID 173 (L): CA 57.670 57.670 56.856 0.814 RESID 173 (L): CB 40.020 40.020 41.831 -1.811 RESID 173 (L): H 8.470 8.470 7.521 0.949 RESID 174 (K): N 114.600 114.600 116.440 -1.840 RESID 174 (K): C 176.900 176.900 176.352 0.548 RESID 174 (K): CA 56.450 56.450 57.280 -0.830 RESID 174 (K): CB 31.770 31.770 32.650 -0.880 RESID 174 (K): H 8.018 8.018 7.567 0.451 RESID 175 (Q): N 118.800 118.800 117.096 1.704 RESID 175 (Q): C 176.000 176.000 173.940 2.060 RESID 175 (Q): CA 52.510 52.510 52.214 0.296 RESID 175 (Q): CB 26.740 26.740 29.801 -3.061 RESID 175 (Q): H 7.151 7.151 7.269 -0.118 RESID 176 (P): C 179.300 179.300 177.316 1.984 RESID 176 (P): CA 66.100 66.100 65.415 0.685 RESID 176 (P): CB 30.720 30.720 31.529 -0.809 RESID 177 (V): N 112.300 112.300 117.309 -5.009 RESID 177 (V): C 175.900 175.900 177.885 -1.985 RESID 177 (V): CA 62.860 62.860 65.941 -3.081 RESID 177 (V): CB 30.660 30.660 30.586 0.074 RESID 177 (V): H 7.480 7.480 7.677 -0.197 RESID 178 (G): N 109.700 109.700 105.784 3.916 RESID 178 (G): C 175.000 175.000 174.788 0.212 RESID 178 (G): CA 44.080 44.080 46.252 -2.172 RESID 178 (G): H 7.173 7.173 7.912 -0.739 RESID 179 (K): N 120.900 120.900 119.054 1.846 RESID 179 (K): C 177.100 177.100 177.672 -0.572 RESID 179 (K): CA 58.360 58.360 58.448 -0.088 RESID 179 (K): CB 31.260 31.260 32.276 -1.016 RESID 179 (K): H 6.972 6.972 7.433 -0.461 RESID 180 (D): N 117.200 117.200 117.354 -0.154 RESID 180 (D): C 173.900 173.900 175.868 -1.968 RESID 180 (D): CA 53.920 53.920 55.863 -1.943 RESID 180 (D): CB 39.690 39.690 41.401 -1.711 RESID 180 (D): H 8.036 8.036 7.450 0.586 RESID 181 (Y): N 120.500 120.500 114.970 5.530 RESID 181 (Y): C 172.300 172.300 173.484 -1.184 RESID 181 (Y): CA 57.890 57.890 57.746 0.144 RESID 181 (Y): CB 41.860 41.860 42.353 -0.493 RESID 181 (Y): H 7.768 7.768 7.451 0.317 RESID 182 (K): N 116.900 116.900 118.755 -1.855 RESID 182 (K): C 174.900 174.900 174.269 0.631 RESID 182 (K): CA 54.330 54.330 56.453 -2.123 RESID 182 (K): CB 35.610 35.610 33.351 2.259 RESID 182 (K): H 9.497 9.497 8.840 0.657 RESID 183 (F): N 117.900 117.900 121.104 -3.204 RESID 183 (F): C 177.800 177.800 175.158 2.642 RESID 183 (F): CA 56.780 56.780 57.888 -1.108 RESID 183 (F): CB 38.320 38.320 42.925 -4.605 RESID 183 (F): H 8.470 8.470 8.132 0.338 RESID 184 (G): N 113.700 113.700 109.007 4.693 RESID 184 (G): C 173.300 173.300 174.879 -1.579 RESID 184 (G): CA 46.900 46.900 44.926 1.974 RESID 184 (G): H 9.107 9.107 8.814 0.293 RESID 185 (G): N 111.000 111.000 108.786 2.214 RESID 185 (G): C 171.100 171.100 172.852 -1.752 RESID 185 (G): CA 44.530 44.530 45.453 -0.923 RESID 185 (G): H 7.702 7.702 8.253 -0.551 RESID 186 (P): C 175.500 175.500 176.196 -0.696 RESID 186 (P): CA 61.920 61.920 64.434 -2.514 RESID 186 (P): CB 32.640 32.640 31.875 0.765 RESID 187 (S): N 113.500 113.500 119.328 -5.828 RESID 187 (S): C 173.500 173.500 173.878 -0.378 RESID 187 (S): CA 57.930 57.930 57.269 0.661 RESID 187 (S): CB 63.260 63.260 65.810 -2.550 RESID 187 (S): H 8.452 8.452 8.334 0.118 RESID 188 (V): N 123.300 123.300 121.716 1.584 RESID 188 (V): C 173.900 173.900 173.492 0.408 RESID 188 (V): CA 61.800 61.800 62.090 -0.290 RESID 188 (V): CB 32.680 32.680 33.419 -0.738 RESID 188 (V): H 9.080 9.080 7.890 1.190 RESID 189 (K): N 125.200 125.200 121.987 3.213 RESID 189 (K): C 176.700 176.700 173.939 2.761 RESID 189 (K): CA 54.680 54.680 56.153 -1.473 RESID 189 (K): CB 33.780 33.780 34.810 -1.030 RESID 189 (K): H 8.123 8.123 8.196 -0.073 RESID 190 (D): N 120.300 120.300 122.123 -1.823 RESID 190 (D): C 175.300 175.300 176.891 -1.591 RESID 190 (D): CA 55.610 55.610 53.453 2.157 RESID 190 (D): CB 42.620 42.620 40.450 2.170 RESID 190 (D): H 8.823 8.823 8.289 0.534 RESID 191 (E): N 129.100 129.100 126.610 2.490 RESID 191 (E): C 177.300 177.300 177.588 -0.288 RESID 191 (E): CA 59.310 59.310 58.457 0.853 RESID 191 (E): CB 28.420 28.420 29.532 -1.112 RESID 191 (E): H 9.239 9.239 8.856 0.383 RESID 192 (K): N 118.000 118.000 119.302 -1.302 RESID 192 (K): C 178.200 178.200 178.053 0.147 RESID 192 (K): CA 58.140 58.140 58.921 -0.781 RESID 192 (K): CB 31.690 31.690 32.142 -0.452 RESID 192 (K): H 7.918 7.918 8.787 -0.869 RESID 193 (L): N 118.200 118.200 117.985 0.215 RESID 193 (L): C 177.700 177.700 177.739 -0.039 RESID 193 (L): CA 55.790 55.790 56.980 -1.190 RESID 193 (L): CB 42.330 42.330 42.062 0.268 RESID 193 (L): H 8.362 8.362 7.148 1.214 RESID 194 (F): N 116.800 116.800 113.464 3.336 RESID 194 (F): C 178.200 178.200 175.849 2.351 RESID 194 (F): CA 54.620 54.620 57.388 -2.768 RESID 194 (F): CB 37.390 37.390 39.939 -2.549 RESID 194 (F): H 8.036 8.036 7.300 0.736 RESID 195 (G): N 106.900 106.900 108.825 -1.925 RESID 195 (G): C 174.200 174.200 174.555 -0.355 RESID 195 (G): CA 44.120 44.120 44.887 -0.767 RESID 195 (G): H 7.510 7.510 7.652 -0.142 RESID 196 (V): N 112.400 112.400 123.821 -11.421 RESID 196 (V): C 175.300 175.300 175.820 -0.520 RESID 196 (V): CA 60.720 60.720 64.019 -3.299 RESID 196 (V): CB 30.630 30.630 32.151 -1.521 RESID 196 (V): H 8.064 8.064 8.335 -0.271 RESID 197 (G): N 108.100 108.100 105.147 2.953 RESID 197 (G): C 172.300 172.300 172.004 0.296 RESID 197 (G): CA 43.210 43.210 45.263 -2.053 RESID 197 (G): H 7.788 7.788 7.256 0.532 RESID 198 (T): N 109.200 109.200 113.360 -4.160 RESID 198 (T): C 172.800 172.800 173.141 -0.341 RESID 198 (T): CA 59.090 59.090 59.333 -0.243 RESID 198 (T): CB 71.080 71.080 71.318 -0.238 RESID 198 (T): H 7.796 7.796 7.933 -0.137 RESID 199 (G): N 103.900 103.900 108.195 -4.295 RESID 199 (G): C 171.800 171.800 172.273 -0.473 RESID 199 (G): CA 43.840 43.840 45.632 -1.792 RESID 199 (G): H 7.928 7.928 7.857 0.071 RESID 200 (M): N 121.400 121.400 119.405 1.995 RESID 200 (M): C 176.200 176.200 176.076 0.124 RESID 200 (M): CA 55.260 55.260 54.782 0.478 RESID 200 (M): CB 33.390 33.390 35.624 -2.234 RESID 200 (M): H 7.971 7.971 8.205 -0.234 RESID 201 (G): N 112.200 112.200 110.331 1.869 RESID 201 (G): C 172.000 172.000 172.718 -0.718 RESID 201 (G): CA 44.540 44.540 44.301 0.239 RESID 201 (G): H 8.818 8.818 8.468 0.350 RESID 202 (L): N 124.700 124.700 124.987 -0.287 RESID 202 (L): C 176.000 176.000 175.948 0.052 RESID 202 (L): CA 53.740 53.740 52.856 0.884 RESID 202 (L): CB 46.010 46.010 45.982 0.028 RESID 202 (L): H 8.767 8.767 8.685 0.082 RESID 203 (R): N 121.600 121.600 120.064 1.536 RESID 203 (R): C 180.400 180.400 177.911 2.489 RESID 203 (R): CA 57.130 57.130 55.429 1.701 RESID 203 (R): CB 29.650 29.650 31.305 -1.655 RESID 203 (R): H 10.270 10.270 8.118 2.152 RESID 204 (K): N 123.200 123.200 124.417 -1.217 RESID 204 (K): C 178.200 178.200 177.657 0.543 RESID 204 (K): CA 59.570 59.570 59.671 -0.101 RESID 204 (K): CB 31.840 31.840 32.149 -0.309 RESID 204 (K): H 9.231 9.231 8.671 0.560 RESID 205 (E): N 113.800 113.800 117.089 -3.289 RESID 205 (E): C 177.700 177.700 177.899 -0.199 RESID 205 (E): CA 57.230 57.230 58.211 -0.981 RESID 205 (E): CB 27.770 27.770 28.898 -1.128 RESID 205 (E): H 9.026 9.026 8.224 0.802 RESID 206 (D): N 126.000 126.000 120.895 5.105 RESID 206 (D): C 177.300 177.300 176.499 0.801 RESID 206 (D): CA 53.710 53.710 53.657 0.053 RESID 206 (D): CB 37.530 37.530 38.686 -1.156 RESID 206 (D): H 7.253 7.253 8.041 -0.788 RESID 207 (N): N 120.100 120.100 120.447 -0.347 RESID 207 (N): C 176.900 176.900 177.007 -0.107 RESID 207 (N): CA 56.950 56.950 56.445 0.505 RESID 207 (N): CB 38.820 38.820 38.892 -0.072 RESID 207 (N): H 7.839 7.839 8.714 -0.875 RESID 208 (E): N 120.500 120.500 118.973 1.527 RESID 208 (E): C 179.900 179.900 178.466 1.434 RESID 208 (E): CA 59.870 59.870 58.977 0.893 RESID 208 (E): CB 27.630 27.630 29.448 -1.817 RESID 208 (E): H 8.776 8.776 8.331 0.445 RESID 209 (L): N 122.900 122.900 120.436 2.464 RESID 209 (L): C 177.100 177.100 178.210 -1.110 RESID 209 (L): CA 57.400 57.400 57.534 -0.134 RESID 209 (L): CB 40.660 40.660 41.834 -1.173 RESID 209 (L): H 8.366 8.366 7.859 0.507 RESID 210 (R): N 119.100 119.100 118.779 0.321 RESID 210 (R): C 177.400 177.400 178.220 -0.820 RESID 210 (R): CA 59.970 59.970 59.748 0.222 RESID 210 (R): CB 30.110 30.110 30.024 0.086 RESID 210 (R): H 7.582 7.582 8.328 -0.746 RESID 211 (E): N 116.200 116.200 119.253 -3.053 RESID 211 (E): C 179.800 179.800 178.531 1.269 RESID 211 (E): CA 59.150 59.150 59.263 -0.113 RESID 211 (E): CB 28.600 28.600 29.593 -0.993 RESID 211 (E): H 8.407 8.407 7.875 0.532 RESID 212 (A): N 123.500 123.500 122.687 0.813 RESID 212 (A): C 181.300 181.300 179.659 1.641 RESID 212 (A): CA 54.810 54.810 54.721 0.089 RESID 212 (A): CB 17.170 17.170 18.133 -0.963 RESID 212 (A): H 8.128 8.128 7.631 0.497 RESID 213 (L): N 121.200 121.200 119.775 1.425 RESID 213 (L): C 178.400 178.400 179.445 -1.045 RESID 213 (L): CA 57.710 57.710 58.098 -0.388 RESID 213 (L): CB 41.450 41.450 41.208 0.242 RESID 213 (L): H 8.364 8.364 8.122 0.242 RESID 214 (N): N 119.200 119.200 116.474 2.726 RESID 214 (N): C 179.700 179.700 177.850 1.850 RESID 214 (N): CA 55.260 55.260 55.873 -0.613 RESID 214 (N): CB 37.120 37.120 37.925 -0.805 RESID 214 (N): H 8.435 8.435 8.331 0.104 RESID 215 (K): N 123.800 123.800 121.332 2.468 RESID 215 (K): C 178.400 178.400 178.515 -0.115 RESID 215 (K): CA 59.090 59.090 59.405 -0.315 RESID 215 (K): CB 31.740 31.740 32.485 -0.745 RESID 215 (K): H 8.080 8.080 8.461 -0.381 RESID 216 (A): N 122.200 122.200 121.752 0.448 RESID 216 (A): C 179.500 179.500 179.511 -0.011 RESID 216 (A): CA 54.140 54.140 54.888 -0.748 RESID 216 (A): CB 18.700 18.700 18.263 0.437 RESID 216 (A): H 7.935 7.935 8.216 -0.281 RESID 217 (F): N 119.500 119.500 120.129 -0.629 RESID 217 (F): C 177.200 177.200 176.979 0.221 RESID 217 (F): CA 61.390 61.390 60.297 1.093 RESID 217 (F): CB 38.000 38.000 39.069 -1.069 RESID 217 (F): H 8.916 8.916 8.330 0.586 RESID 218 (A): N 121.300 121.300 121.219 0.081 RESID 218 (A): C 182.100 182.100 179.674 2.426 RESID 218 (A): CA 54.810 54.810 55.207 -0.397 RESID 218 (A): CB 16.650 16.650 17.986 -1.336 RESID 218 (A): H 7.956 7.956 8.154 -0.198 RESID 219 (E): N 120.000 120.000 119.024 0.976 RESID 219 (E): C 178.600 178.600 179.003 -0.403 RESID 219 (E): CA 59.040 59.040 59.305 -0.265 RESID 219 (E): CB 28.320 28.320 29.479 -1.159 RESID 219 (E): H 7.952 7.952 7.845 0.107 RESID 220 (M): N 120.900 120.900 118.156 2.744 RESID 220 (M): C 179.000 179.000 178.534 0.466 RESID 220 (M): CA 57.430 57.430 59.485 -2.055 RESID 220 (M): CB 32.620 32.620 32.450 0.170 RESID 220 (M): H 8.190 8.190 8.056 0.134 RESID 221 (R): N 119.200 119.200 118.392 0.808 RESID 221 (R): C 179.300 179.300 178.887 0.413 RESID 221 (R): CA 58.710 58.710 58.933 -0.223 RESID 221 (R): CB 27.480 27.480 29.855 -2.375 RESID 221 (R): H 7.762 7.762 7.521 0.241 RESID 222 (A): N 122.500 122.500 122.102 0.398 RESID 222 (A): C 179.300 179.300 178.933 0.367 RESID 222 (A): CA 54.180 54.180 54.627 -0.447 RESID 222 (A): CB 18.030 18.030 18.552 -0.522 RESID 222 (A): H 7.838 7.838 7.741 0.097 RESID 223 (D): N 115.100 115.100 114.698 0.402 RESID 223 (D): C 177.900 177.900 177.263 0.637 RESID 223 (D): CA 53.020 53.020 53.137 -0.117 RESID 223 (D): CB 39.570 39.570 40.441 -0.871 RESID 223 (D): H 8.091 8.091 7.984 0.106 RESID 224 (G): N 106.700 106.700 108.824 -2.124 RESID 224 (G): C 176.000 176.000 176.011 -0.011 RESID 224 (G): CA 45.070 45.070 46.307 -1.237 RESID 224 (G): H 7.199 7.199 7.422 -0.223 RESID 225 (T): N 122.400 122.400 117.135 5.265 RESID 225 (T): C 175.700 175.700 175.315 0.385 RESID 225 (T): CA 67.610 67.610 67.863 -0.253 RESID 225 (T): CB 66.840 66.840 68.758 -1.918 RESID 225 (T): H 9.095 9.095 8.754 0.341 RESID 226 (Y): N 121.500 121.500 121.692 -0.192 RESID 226 (Y): C 176.000 176.000 176.906 -0.906 RESID 226 (Y): CA 62.530 62.530 62.379 0.151 RESID 226 (Y): CB 38.410 38.410 38.333 0.077 RESID 226 (Y): H 8.040 8.040 7.639 0.401 RESID 227 (E): N 118.200 118.200 118.711 -0.511 RESID 227 (E): C 178.200 178.200 178.696 -0.496 RESID 227 (E): CA 58.940 58.940 59.482 -0.542 RESID 227 (E): CB 28.810 28.810 29.124 -0.314 RESID 227 (E): H 8.153 8.153 8.591 -0.438 RESID 228 (K): N 119.100 119.100 120.400 -1.300 RESID 228 (K): C 179.500 179.500 179.061 0.439 RESID 228 (K): CA 59.260 59.260 59.500 -0.240 RESID 228 (K): CB 31.520 31.520 32.419 -0.899 RESID 228 (K): H 7.558 7.558 8.385 -0.827 RESID 229 (L): N 119.100 119.100 119.374 -0.274 RESID 229 (L): C 179.300 179.300 178.832 0.468 RESID 229 (L): CA 56.970 56.970 57.721 -0.751 RESID 229 (L): CB 41.520 41.520 41.856 -0.336 RESID 229 (L): H 8.055 8.055 8.073 -0.018 RESID 230 (A): N 121.200 121.200 122.121 -0.921 RESID 230 (A): C 180.500 180.500 179.264 1.236 RESID 230 (A): CA 54.890 54.890 55.539 -0.649 RESID 230 (A): CB 17.570 17.570 17.746 -0.176 RESID 230 (A): H 8.901 8.901 8.332 0.569 RESID 231 (K): N 117.200 117.200 118.007 -0.807 RESID 231 (K): C 177.700 177.700 178.142 -0.442 RESID 231 (K): CA 57.370 57.370 58.788 -1.418 RESID 231 (K): CB 31.330 31.330 32.364 -1.034 RESID 231 (K): H 8.062 8.062 8.096 -0.034 RESID 232 (K): N 117.600 117.600 116.685 0.915 RESID 232 (K): C 176.800 176.800 179.189 -2.389 RESID 232 (K): CA 57.890 57.890 58.639 -0.749 RESID 232 (K): CB 31.150 31.150 32.565 -1.415 RESID 232 (K): H 7.053 7.053 7.465 -0.412 RESID 233 (Y): N 114.000 114.000 117.039 -3.039 RESID 233 (Y): C 175.100 175.100 175.781 -0.681 RESID 233 (Y): CA 58.110 58.110 61.230 -3.120 RESID 233 (Y): CB 39.360 39.360 38.926 0.434 RESID 233 (Y): H 7.013 7.013 8.017 -1.004 RESID 234 (F): N 116.400 116.400 113.558 2.842 RESID 234 (F): C 175.800 175.800 173.440 2.360 RESID 234 (F): CA 54.920 54.920 56.664 -1.744 RESID 234 (F): CB 41.260 41.260 42.811 -1.551 RESID 234 (F): H 8.038 8.038 8.184 -0.146 RESID 235 (D): N 123.000 123.000 121.066 1.934 RESID 235 (D): C 174.500 174.500 174.844 -0.344 RESID 235 (D): CA 52.680 52.680 53.311 -0.631 RESID 235 (D): CB 39.860 39.860 39.419 0.441 RESID 235 (D): H 8.879 8.879 8.561 0.318 RESID 236 (F): N 115.500 115.500 120.733 -5.233 RESID 236 (F): C 173.600 173.600 173.666 -0.066 RESID 236 (F): CA 53.950 53.950 56.688 -2.738 RESID 236 (F): CB 39.860 39.860 39.736 0.124 RESID 236 (F): H 6.793 6.793 7.444 -0.651 RESID 237 (D): N 119.700 119.700 121.897 -2.197 RESID 237 (D): C 175.800 175.800 177.112 -1.312 RESID 237 (D): CA 52.980 52.980 52.672 0.308 RESID 237 (D): CB 39.210 39.210 41.850 -2.640 RESID 237 (D): H 8.831 8.831 8.609 0.222 RESID 238 (V): N 129.900 129.900 122.441 7.459 RESID 238 (V): C 175.200 175.200 176.691 -1.491 RESID 238 (V): CA 61.840 61.840 65.057 -3.217 RESID 238 (V): CB 32.500 32.500 31.903 0.597 RESID 238 (V): H 7.376 7.376 8.323 -0.947 RESID 239 (Y): N 123.500 123.500 119.200 4.300 RESID 239 (Y): C 176.500 176.500 178.505 -2.005 RESID 239 (Y): CA 61.920 61.920 61.144 0.776 RESID 239 (Y): CB 38.010 38.010 37.741 0.269 RESID 239 (Y): H 8.314 8.314 7.814 0.500 RESID 240 (G): N 104.100 104.100 104.355 -0.255 RESID 240 (G): C 174.600 174.600 174.900 -0.300 RESID 240 (G): CA 45.930 45.930 45.333 0.597 RESID 240 (G): H 7.428 7.428 8.425 -0.997 N HA C CA CB H RESID 6 (P): ----- ----- -0.717 -0.617 -0.728 ----- RESID 7 (Q): 0.473 ----- -0.431 -0.880 -0.499 -0.341 RESID 8 (N): 1.717 ----- -0.516 -0.568 -1.013 -0.326 RESID 9 (I): -1.712 ----- -0.214 -0.578 -0.584 -0.735 RESID 10 (R): -0.578 ----- 0.305 -1.379 -0.778 0.427 RESID 11 (I): 2.656 ----- 0.529 0.079 -4.290 0.175 RESID 12 (G): 0.599 ----- -1.340 0.241 ----- 0.820 RESID 13 (T): -1.043 ----- 8.517 -0.628 -1.698 0.618 RESID 14 (D): -0.822 ----- 2.871 -0.498 -1.746 -0.470 RESID 15 (P): ----- ----- -1.099 -1.387 -4.473 ----- RESID 16 (T): 5.457 ----- 0.766 -2.478 -1.190 0.430 RESID 17 (Y): 4.005 ----- -0.446 -1.985 0.138 0.867 RESID 18 (A): 2.455 ----- -0.485 -4.563 -0.180 0.026 RESID 19 (P): ----- ----- -4.301 -2.349 0.186 ----- RESID 20 (F): 7.852 ----- 1.219 2.926 -3.121 -0.176 RESID 21 (E): -3.068 ----- -0.750 -0.900 -5.350 -0.825 RESID 22 (S): 4.135 ----- -0.779 -1.284 -1.220 0.447 RESID 23 (K): -2.135 ----- 2.518 -1.649 -1.751 -0.015 RESID 24 (N): 1.240 ----- 0.961 -1.441 -1.921 -0.016 RESID 25 (S): ----- ----- -0.006 0.029 -0.150 ----- RESID 26 (Q): -0.188 ----- -0.563 -0.383 -0.477 -0.371 RESID 27 (G): 1.070 ----- -0.368 -0.013 ----- 0.279 RESID 28 (E): 0.424 ----- 0.170 -1.491 -0.849 -0.222 RESID 29 (L): 2.339 ----- 0.405 0.608 -1.698 -0.057 RESID 30 (V): -4.227 ----- 1.704 -1.747 0.127 1.023 RESID 31 (G): -0.688 ----- 0.921 -1.387 ----- 1.117 RESID 32 (F): -2.642 ----- 2.027 -0.757 -0.321 0.184 RESID 33 (D): -2.592 ----- 1.065 -0.396 -1.646 1.594 RESID 34 (I): -0.865 ----- 0.248 -3.776 -4.205 -1.185 RESID 35 (D): 0.628 ----- 1.621 -0.313 0.138 0.755 RESID 36 (L): -0.345 ----- 0.500 -0.062 0.647 1.285 RESID 37 (A): -1.398 ----- -0.989 -0.054 -1.129 0.720 RESID 38 (K): -2.983 ----- 0.985 0.505 -0.548 0.605 RESID 39 (E): 2.020 ----- -1.070 -0.898 -1.509 -0.091 RESID 40 (L): 1.113 ----- -0.104 0.225 -1.513 0.737 RESID 41 (C): -2.726 ----- -1.667 -0.357 21.390 0.047 RESID 42 (K): -0.318 ----- 1.693 -0.625 -0.925 -0.543 RESID 43 (R): 1.578 ----- 0.036 0.308 -0.246 0.435 RESID 44 (I): -5.743 ----- -0.833 -2.113 -1.573 -0.636 RESID 45 (N): 3.067 ----- -0.348 -0.960 0.703 -0.308 RESID 46 (T): 7.012 ----- 0.260 -0.252 -1.376 0.011 RESID 47 (Q): 3.472 ----- 0.832 -0.558 -1.781 -0.322 RESID 48 (C): -0.700 ----- -0.590 -4.720 17.946 0.193 RESID 49 (T): -1.928 ----- 0.154 -1.046 -0.092 -0.524 RESID 50 (F): -2.146 ----- -0.158 0.040 0.439 0.365 RESID 51 (V): 2.565 ----- -0.025 -0.023 -1.689 0.172 RESID 52 (E): -2.066 ----- 1.662 -2.784 -1.064 -0.155 RESID 53 (N): 6.462 ----- -1.815 -0.246 5.667 0.681 RESID 54 (P): ----- ----- -0.158 -0.704 -1.434 ----- RESID 55 (L): 0.061 ----- 0.880 -1.107 0.089 0.316 RESID 56 (D): -3.595 ----- -0.823 -0.786 -0.540 0.112 RESID 57 (A): 0.518 ----- 1.037 -2.164 -0.481 -0.229 RESID 58 (L): 1.120 ----- -0.968 0.855 -1.766 -0.325 RESID 59 (I): 0.103 ----- 1.264 1.627 -0.721 1.372 RESID 60 (P): ----- ----- 0.877 -0.628 -1.276 ----- RESID 61 (S): -0.095 ----- -1.186 0.321 ----- -0.420 RESID 62 (L): 3.132 ----- 1.997 -0.353 0.006 0.192 RESID 63 (K): 1.917 ----- 0.134 0.340 -1.725 0.695 RESID 64 (A): 0.030 ----- -0.478 -0.315 -0.484 -0.232 RESID 65 (K): -1.820 ----- -0.471 -0.181 -2.185 0.077 RESID 66 (K): 2.875 ----- -0.537 -1.247 -0.839 0.609 RESID 67 (I): -4.978 ----- -1.403 0.014 -0.576 -0.224 RESID 68 (D): -2.855 ----- -3.574 0.152 1.626 1.137 RESID 69 (A): -0.538 ----- 1.042 -1.062 -0.111 0.033 RESID 70 (I): -0.128 ----- 0.036 -0.580 0.205 1.346 RESID 71 (M): -0.685 ----- -1.537 -1.991 -0.061 0.126 RESID 72 (S): 1.384 ----- -0.932 0.860 -0.567 0.046 RESID 73 (S): 4.231 ----- -0.072 -1.177 0.107 -0.022 RESID 74 (L): -2.993 ----- -0.540 -1.107 -0.324 0.995 RESID 75 (S): 2.194 ----- 0.827 2.389 -1.725 0.278 RESID 76 (I): 9.532 ----- 0.953 1.740 -3.887 0.064 RESID 77 (T): 3.167 ----- -0.268 -2.231 -0.740 -1.011 RESID 78 (E): -0.360 ----- 1.618 -1.719 -0.641 0.023 RESID 79 (K): 0.087 ----- 1.566 -0.302 -0.690 0.049 RESID 80 (R): -0.333 ----- 0.145 0.373 0.315 0.280 RESID 81 (Q): -0.768 ----- -2.170 -1.592 0.330 0.120 RESID 82 (Q): -1.876 ----- -0.383 -1.107 -0.520 -0.599 RESID 83 (E): -1.613 ----- -0.890 -1.316 1.676 -0.262 RESID 84 (I): 3.235 ----- -1.331 0.483 -0.684 0.295 RESID 85 (A): 0.225 ----- -0.260 -1.119 0.870 0.278 RESID 86 (F): -3.615 ----- 2.986 -1.062 0.263 -0.332 RESID 87 (T): -6.772 ----- 0.912 0.761 2.652 -0.496 RESID 88 (D): -1.999 ----- -1.328 -0.746 1.046 -0.017 RESID 89 (K): 1.476 ----- -0.487 -1.705 0.335 -0.031 RESID 90 (L): -3.003 ----- 0.284 -2.849 -1.622 0.010 RESID 91 (Y): 0.454 ----- -1.090 0.535 -2.910 -0.378 RESID 92 (A): 0.536 ----- -1.177 0.831 0.714 -0.970 RESID 93 (A): -0.747 ----- -0.985 0.343 -0.045 0.260 RESID 94 (D): 1.192 ----- -0.854 -1.276 -0.220 0.752 RESID 95 (S): -1.864 ----- -1.475 0.493 -0.096 -1.033 RESID 96 (R): 4.546 ----- -0.140 1.552 -0.272 0.412 RESID 97 (L): -1.010 ----- 1.676 0.379 -1.792 1.304 RESID 98 (V): 0.876 ----- 0.718 0.920 0.452 1.467 RESID 99 (V): -5.420 ----- 0.751 -0.285 1.264 1.064 RESID 100 (A): 0.800 ----- 0.758 2.063 -1.845 0.677 RESID 101 (K): -4.045 ----- -0.197 0.388 -0.484 -1.070 RESID 102 (N): -1.244 ----- 0.248 -2.270 -1.579 -0.232 RESID 103 (S): 0.079 ----- 2.724 0.712 0.389 0.069 RESID 104 (D): -0.791 ----- 1.715 -0.978 -0.592 0.002 RESID 105 (I): -1.234 ----- -0.709 3.196 -2.992 -0.335 RESID 106 (Q): -0.575 ----- 0.702 -0.653 2.036 -0.212 RESID 107 (P): ----- ----- -0.478 -1.785 -3.930 ----- RESID 108 (T): -3.113 ----- -0.381 -3.891 -1.072 0.817 RESID 109 (V): -1.687 ----- 0.366 0.835 -2.196 0.288 RESID 110 (E): -3.347 ----- -0.497 -0.893 -0.847 -0.353 RESID 111 (S): -0.072 ----- 0.758 -1.441 1.262 -1.134 RESID 112 (L): -4.306 ----- 0.008 -0.779 0.083 0.348 RESID 113 (K): 1.774 ----- 0.694 0.624 -1.402 -0.292 RESID 114 (G): 0.965 ----- -0.593 -0.124 ----- 0.096 RESID 115 (K): -1.103 ----- -1.319 -1.040 -1.290 0.659 RESID 116 (R): -1.550 ----- 0.586 -1.030 0.521 1.011 RESID 117 (V): 2.817 ----- 0.343 -0.128 -1.935 0.626 RESID 118 (G): 0.351 ----- -0.236 1.379 ----- 1.296 RESID 119 (V): -5.983 ----- 0.060 -2.185 -0.616 -0.136 RESID 120 (L): 0.242 ----- 1.243 -0.277 -1.412 0.136 RESID 121 (Q): 0.852 ----- -0.341 -0.415 -1.611 0.312 RESID 122 (G): -0.024 ----- 1.539 -0.232 ----- 0.650 RESID 123 (T): -1.708 ----- 2.408 0.263 2.887 -0.519 RESID 124 (T): 1.319 ----- 1.565 -0.731 -0.958 0.277 RESID 125 (Q): -1.801 ----- 0.190 1.915 -2.729 -0.760 RESID 126 (E): 2.137 ----- -1.302 -0.192 -0.910 -0.089 RESID 127 (T): 1.551 ----- -0.167 -0.473 -1.136 0.554 RESID 128 (F): -0.055 ----- 0.454 0.854 -0.118 0.260 RESID 129 (G): -0.095 ----- -0.375 -0.528 ----- -0.255 RESID 130 (N): 4.571 ----- 0.372 0.067 -0.626 0.364 RESID 131 (E): 2.274 ----- 0.805 1.233 -1.412 0.425 RESID 132 (H): -6.044 ----- 0.345 -1.889 0.698 0.005 RESID 133 (W): 1.860 ----- 0.619 -0.972 0.674 0.165 RESID 134 (A): 0.749 ----- 0.479 0.788 -0.818 1.176 RESID 135 (P): ----- ----- -0.187 0.315 -0.187 ----- RESID 136 (K): -0.411 ----- -1.128 -2.397 -0.613 -0.462 RESID 137 (G): -2.258 ----- 0.785 0.365 ----- 0.195 RESID 138 (I): 5.045 ----- -0.395 0.361 -1.783 -0.590 RESID 139 (E): 1.137 ----- -1.199 0.443 -1.738 -0.103 RESID 140 (I): 7.862 ----- 1.331 -1.923 -6.160 0.288 RESID 141 (V): 7.758 ----- -0.109 -0.090 -3.774 0.447 RESID 142 (S): 2.777 ----- 1.468 0.348 -0.013 0.099 RESID 143 (Y): -2.723 ----- -0.483 -0.412 0.986 -0.280 RESID 144 (Q): -0.583 ----- 1.094 0.580 -1.388 0.232 RESID 145 (G): -0.542 ----- -0.664 -0.031 ----- -0.330 RESID 146 (Q): 1.405 ----- -0.146 -0.990 -0.433 0.090 RESID 147 (D): -0.554 ----- 0.414 -0.250 -0.848 -0.039 RESID 148 (N): -0.194 ----- -0.583 -0.437 0.607 -1.063 RESID 149 (I): 0.187 ----- -0.133 -0.612 -1.675 -0.300 RESID 150 (Y): -0.840 ----- 0.747 -1.951 -1.668 -0.498 RESID 151 (S): 2.070 ----- -0.010 -0.386 -0.124 -0.052 RESID 152 (D): -0.890 ----- 0.669 -0.290 -2.144 -0.177 RESID 153 (L): 2.913 ----- 1.766 0.612 -0.190 0.499 RESID 154 (T): -1.541 ----- 1.342 -1.456 -0.312 0.060 RESID 155 (A): 1.695 ----- 0.165 -0.671 -0.438 0.374 RESID 156 (G): 0.675 ----- -0.257 0.239 ----- -0.068 RESID 157 (R): -0.186 ----- 0.874 -0.330 -0.365 0.311 RESID 158 (I): -3.908 ----- -0.584 0.693 -1.008 -0.010 RESID 159 (D): -4.687 ----- -0.964 -0.415 1.922 0.269 RESID 160 (A): -0.016 ----- 0.583 -1.293 1.682 0.534 RESID 161 (A): 1.620 ----- -0.180 -0.544 -0.499 0.920 RESID 162 (F): 2.525 ----- -2.096 -3.746 0.597 0.546 RESID 163 (Q): 1.225 ----- -0.304 -0.082 1.234 -0.441 RESID 164 (D): 1.005 ----- -1.445 1.061 0.324 -0.136 RESID 165 (E): 5.702 ----- -0.423 0.095 0.188 -0.164 RESID 166 (V): 1.250 ----- 1.020 0.099 -0.199 0.549 RESID 167 (A): 3.128 ----- 3.409 0.268 -0.131 0.754 RESID 168 (A): -0.873 ----- 0.001 -0.379 0.312 0.443 RESID 169 (S): -0.905 ----- -0.543 -1.790 0.478 -0.112 RESID 170 (E): -4.790 ----- 1.385 -0.485 0.731 0.988 RESID 171 (G): -1.569 ----- -1.299 -0.301 ----- 0.811 RESID 172 (F): -2.387 ----- -2.487 -0.446 1.646 -1.039 RESID 173 (L): 0.053 ----- 0.712 0.814 -1.811 0.949 RESID 174 (K): -1.840 ----- 0.548 -0.830 -0.880 0.451 RESID 175 (Q): 1.704 ----- 2.060 0.296 -3.061 -0.118 RESID 176 (P): ----- ----- 1.984 0.685 -0.809 ----- RESID 177 (V): -5.009 ----- -1.985 -3.081 0.074 -0.197 RESID 178 (G): 3.916 ----- 0.212 -2.172 ----- -0.739 RESID 179 (K): 1.846 ----- -0.572 -0.088 -1.016 -0.461 RESID 180 (D): -0.154 ----- -1.968 -1.943 -1.711 0.586 RESID 181 (Y): 5.530 ----- -1.184 0.144 -0.493 0.317 RESID 182 (K): -1.855 ----- 0.631 -2.123 2.259 0.657 RESID 183 (F): -3.204 ----- 2.642 -1.108 -4.605 0.338 RESID 184 (G): 4.693 ----- -1.579 1.974 ----- 0.293 RESID 185 (G): 2.214 ----- -1.752 -0.923 ----- -0.551 RESID 186 (P): ----- ----- -0.696 -2.514 0.765 ----- RESID 187 (S): -5.828 ----- -0.378 0.661 -2.550 0.118 RESID 188 (V): 1.584 ----- 0.408 -0.290 -0.738 1.190 RESID 189 (K): 3.213 ----- 2.761 -1.473 -1.030 -0.073 RESID 190 (D): -1.823 ----- -1.591 2.157 2.170 0.534 RESID 191 (E): 2.490 ----- -0.288 0.853 -1.112 0.383 RESID 192 (K): -1.302 ----- 0.147 -0.781 -0.452 -0.869 RESID 193 (L): 0.215 ----- -0.039 -1.190 0.268 1.214 RESID 194 (F): 3.336 ----- 2.351 -2.768 -2.549 0.736 RESID 195 (G): -1.925 ----- -0.355 -0.767 ----- -0.142 RESID 196 (V): -11.421 ----- -0.520 -3.299 -1.521 -0.271 RESID 197 (G): 2.953 ----- 0.296 -2.053 ----- 0.532 RESID 198 (T): -4.160 ----- -0.341 -0.243 -0.238 -0.137 RESID 199 (G): -4.295 ----- -0.473 -1.792 ----- 0.071 RESID 200 (M): 1.995 ----- 0.124 0.478 -2.234 -0.234 RESID 201 (G): 1.869 ----- -0.718 0.239 ----- 0.350 RESID 202 (L): -0.287 ----- 0.052 0.884 0.028 0.082 RESID 203 (R): 1.536 ----- 2.489 1.701 -1.655 2.152 RESID 204 (K): -1.217 ----- 0.543 -0.101 -0.309 0.560 RESID 205 (E): -3.289 ----- -0.199 -0.981 -1.128 0.802 RESID 206 (D): 5.105 ----- 0.801 0.053 -1.156 -0.788 RESID 207 (N): -0.347 ----- -0.107 0.505 -0.072 -0.875 RESID 208 (E): 1.527 ----- 1.434 0.893 -1.817 0.445 RESID 209 (L): 2.464 ----- -1.110 -0.134 -1.173 0.507 RESID 210 (R): 0.321 ----- -0.820 0.222 0.086 -0.746 RESID 211 (E): -3.053 ----- 1.269 -0.113 -0.993 0.532 RESID 212 (A): 0.813 ----- 1.641 0.089 -0.963 0.497 RESID 213 (L): 1.425 ----- -1.045 -0.388 0.242 0.242 RESID 214 (N): 2.726 ----- 1.850 -0.613 -0.805 0.104 RESID 215 (K): 2.468 ----- -0.115 -0.315 -0.745 -0.381 RESID 216 (A): 0.448 ----- -0.011 -0.748 0.437 -0.281 RESID 217 (F): -0.629 ----- 0.221 1.093 -1.069 0.586 RESID 218 (A): 0.081 ----- 2.426 -0.397 -1.336 -0.198 RESID 219 (E): 0.976 ----- -0.403 -0.265 -1.159 0.107 RESID 220 (M): 2.744 ----- 0.466 -2.055 0.170 0.134 RESID 221 (R): 0.808 ----- 0.413 -0.223 -2.375 0.241 RESID 222 (A): 0.398 ----- 0.367 -0.447 -0.522 0.097 RESID 223 (D): 0.402 ----- 0.637 -0.117 -0.871 0.106 RESID 224 (G): -2.124 ----- -0.011 -1.237 ----- -0.223 RESID 225 (T): 5.265 ----- 0.385 -0.253 -1.918 0.341 RESID 226 (Y): -0.192 ----- -0.906 0.151 0.077 0.401 RESID 227 (E): -0.511 ----- -0.496 -0.542 -0.314 -0.438 RESID 228 (K): -1.300 ----- 0.439 -0.240 -0.899 -0.827 RESID 229 (L): -0.274 ----- 0.468 -0.751 -0.336 -0.018 RESID 230 (A): -0.921 ----- 1.236 -0.649 -0.176 0.569 RESID 231 (K): -0.807 ----- -0.442 -1.418 -1.034 -0.034 RESID 232 (K): 0.915 ----- -2.389 -0.749 -1.415 -0.412 RESID 233 (Y): -3.039 ----- -0.681 -3.120 0.434 -1.004 RESID 234 (F): 2.842 ----- 2.360 -1.744 -1.551 -0.146 RESID 235 (D): 1.934 ----- -0.344 -0.631 0.441 0.318 RESID 236 (F): -5.233 ----- -0.066 -2.738 0.124 -0.651 RESID 237 (D): -2.197 ----- -1.312 0.308 -2.640 0.222 RESID 238 (V): 7.459 ----- -1.491 -3.217 0.597 -0.947 RESID 239 (Y): 4.300 ----- -2.005 0.776 0.269 0.500 RESID 240 (G): -0.255 ----- -0.300 0.597 ----- -0.997 DATA CS_STAT_INFO N RMS: 2.892 ppm Count: 226 Average Difference: -0.164 +/- 2.894 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.288 ppm Count: 236 Average Difference: -0.110 +/- 1.286 ppm DATA CS_STAT_INFO CA RMS: 1.336 ppm Count: 236 Average Difference: 0.525 +/- 1.231 ppm DATA CS_STAT_INFO CB RMS: 2.461 ppm Count: 215 Average Difference: 0.508 +/- 2.414 ppm DATA CS_STAT_INFO HN RMS: 0.585 ppm Count: 226 Average Difference: -0.117 +/- 0.575 ppm ############################################################################ For conformer 5: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.322 -0.022 RESID 5 (I): C 174.300 174.300 174.348 -0.048 RESID 5 (I): CA 57.710 57.710 59.842 -2.132 RESID 5 (I): CB 37.260 37.260 37.776 -0.516 RESID 5 (I): H 7.868 7.868 8.222 -0.354 RESID 6 (P): C 176.100 176.100 177.522 -1.422 RESID 6 (P): CA 62.180 62.180 62.992 -0.812 RESID 6 (P): CB 31.620 31.620 32.098 -0.478 RESID 7 (Q): N 119.200 119.200 120.030 -0.830 RESID 7 (Q): C 175.600 175.600 175.613 -0.013 RESID 7 (Q): CA 57.190 57.190 58.162 -0.972 RESID 7 (Q): CB 28.500 28.500 29.062 -0.562 RESID 7 (Q): H 8.380 8.380 8.640 -0.260 RESID 8 (N): N 116.300 116.300 114.592 1.708 RESID 8 (N): C 173.600 173.600 174.106 -0.506 RESID 8 (N): CA 51.720 51.720 52.289 -0.569 RESID 8 (N): CB 40.540 40.540 41.520 -0.980 RESID 8 (N): H 7.472 7.472 7.807 -0.335 RESID 9 (I): N 121.000 121.000 122.730 -1.730 RESID 9 (I): C 174.700 174.700 174.910 -0.210 RESID 9 (I): CA 59.480 59.480 60.080 -0.600 RESID 9 (I): CB 39.740 39.740 40.276 -0.536 RESID 9 (I): H 8.416 8.416 9.138 -0.722 RESID 10 (R): N 126.500 126.500 127.073 -0.573 RESID 10 (R): C 175.800 175.800 175.469 0.331 RESID 10 (R): CA 53.950 53.950 55.411 -1.461 RESID 10 (R): CB 30.670 30.670 31.305 -0.635 RESID 10 (R): H 9.098 9.098 8.655 0.443 RESID 11 (I): N 127.500 127.500 124.784 2.716 RESID 11 (I): C 175.600 175.600 175.088 0.512 RESID 11 (I): CA 59.480 59.480 59.346 0.134 RESID 11 (I): CB 37.460 37.460 41.833 -4.373 RESID 11 (I): H 9.279 9.279 9.070 0.209 RESID 12 (G): N 114.800 114.800 113.965 0.835 RESID 12 (G): C 171.700 171.700 173.005 -1.305 RESID 12 (G): CA 44.540 44.540 44.295 0.245 RESID 12 (G): H 9.382 9.382 8.496 0.886 RESID 13 (T): N 120.600 120.600 121.883 -1.283 RESID 13 (T): C 181.600 181.600 173.229 8.371 RESID 13 (T): CA 61.470 61.470 61.796 -0.326 RESID 13 (T): CB 69.970 69.970 71.803 -1.833 RESID 13 (T): H 8.594 8.594 7.861 0.733 RESID 14 (D): N 127.000 127.000 127.552 -0.552 RESID 14 (D): C 177.500 177.500 174.553 2.947 RESID 14 (D): CA 49.760 49.760 50.127 -0.367 RESID 14 (D): CB 40.580 40.580 41.989 -1.409 RESID 14 (D): H 8.200 8.200 8.606 -0.406 RESID 15 (P): C 175.400 175.400 176.489 -1.089 RESID 15 (P): CA 61.920 61.920 63.273 -1.353 RESID 15 (P): CB 27.890 27.890 32.418 -4.528 RESID 16 (T): N 116.200 116.200 110.848 5.352 RESID 16 (T): C 174.000 174.000 173.404 0.596 RESID 16 (T): CA 59.560 59.560 62.094 -2.534 RESID 16 (T): CB 68.650 68.650 69.752 -1.102 RESID 16 (T): H 8.739 8.739 8.296 0.443 RESID 17 (Y): N 125.800 125.800 121.928 3.872 RESID 17 (Y): C 175.200 175.200 175.599 -0.399 RESID 17 (Y): CA 54.180 54.180 56.186 -2.006 RESID 17 (Y): CB 38.700 38.700 38.569 0.131 RESID 17 (Y): H 8.943 8.943 8.082 0.861 RESID 18 (A): N 132.100 132.100 129.662 2.438 RESID 18 (A): C 176.000 176.000 176.489 -0.489 RESID 18 (A): CA 51.490 51.490 56.091 -4.601 RESID 18 (A): CB 16.070 16.070 16.300 -0.230 RESID 18 (A): H 8.945 8.945 8.932 0.013 RESID 19 (P): C 173.500 173.500 177.633 -4.133 RESID 19 (P): CA 62.890 62.890 65.278 -2.388 RESID 19 (P): CB 31.790 31.790 31.650 0.140 RESID 20 (F): N 125.100 125.100 118.125 6.975 RESID 20 (F): C 176.700 176.700 175.224 1.476 RESID 20 (F): CA 62.420 62.420 59.780 2.640 RESID 20 (F): CB 37.980 37.980 41.242 -3.262 RESID 20 (F): H 8.117 8.117 8.324 -0.207 RESID 21 (E): N 111.800 111.800 114.427 -2.627 RESID 21 (E): C 173.600 173.600 174.458 -0.858 RESID 21 (E): CA 54.400 54.400 55.466 -1.066 RESID 21 (E): CB 28.770 28.770 34.162 -5.392 RESID 21 (E): H 7.701 7.701 8.633 -0.932 RESID 22 (S): N 117.200 117.200 113.012 4.188 RESID 22 (S): C 171.500 171.500 172.306 -0.806 RESID 22 (S): CA 57.290 57.290 58.575 -1.285 RESID 22 (S): CB 62.940 62.940 64.105 -1.165 RESID 22 (S): H 8.750 8.750 8.326 0.423 RESID 23 (K): N 117.400 117.400 119.406 -2.006 RESID 23 (K): C 177.600 177.600 175.050 2.550 RESID 23 (K): CA 53.700 53.700 55.321 -1.621 RESID 23 (K): CB 33.330 33.330 35.043 -1.713 RESID 23 (K): H 8.238 8.238 8.250 -0.012 RESID 24 (N): N 122.400 122.400 121.028 1.372 RESID 24 (N): C 178.000 178.000 177.051 0.949 RESID 24 (N): CA 50.600 50.600 52.106 -1.506 RESID 24 (N): CB 38.140 38.140 40.027 -1.887 RESID 24 (N): H 8.584 8.584 8.706 -0.122 RESID 25 (S): C 175.400 175.400 175.390 0.010 RESID 25 (S): CA 60.970 60.970 60.945 0.025 RESID 25 (S): CB 62.410 62.410 62.544 -0.134 RESID 26 (Q): N 119.300 119.300 119.513 -0.213 RESID 26 (Q): C 176.200 176.200 176.765 -0.565 RESID 26 (Q): CA 55.180 55.180 55.551 -0.371 RESID 26 (Q): CB 28.260 28.260 28.711 -0.451 RESID 26 (Q): H 7.520 7.520 7.847 -0.327 RESID 27 (G): N 108.800 108.800 107.705 1.095 RESID 27 (G): C 173.700 173.700 174.092 -0.392 RESID 27 (G): CA 45.050 45.050 45.069 -0.019 RESID 27 (G): H 8.169 8.169 7.889 0.280 RESID 28 (E): N 121.200 121.200 120.720 0.480 RESID 28 (E): C 175.800 175.800 175.570 0.230 RESID 28 (E): CA 54.490 54.490 55.869 -1.379 RESID 28 (E): CB 29.750 29.750 30.668 -0.918 RESID 28 (E): H 7.836 7.836 8.051 -0.215 RESID 29 (L): N 123.500 123.500 120.857 2.643 RESID 29 (L): C 176.400 176.400 175.199 1.201 RESID 29 (L): CA 54.310 54.310 53.824 0.486 RESID 29 (L): CB 41.180 41.180 43.127 -1.948 RESID 29 (L): H 8.281 8.281 8.260 0.021 RESID 30 (V): N 118.200 118.200 122.215 -4.015 RESID 30 (V): C 175.300 175.300 173.521 1.779 RESID 30 (V): CA 58.360 58.360 60.050 -1.690 RESID 30 (V): CB 36.080 36.080 35.888 0.193 RESID 30 (V): H 8.900 8.900 7.658 1.242 RESID 31 (G): N 109.800 109.800 110.249 -0.449 RESID 31 (G): C 174.400 174.400 173.429 0.971 RESID 31 (G): CA 43.830 43.830 45.340 -1.510 RESID 31 (G): H 8.611 8.611 7.671 0.940 RESID 32 (F): N 119.900 119.900 122.659 -2.759 RESID 32 (F): C 177.900 177.900 176.099 1.801 RESID 32 (F): CA 59.800 59.800 60.701 -0.901 RESID 32 (F): CB 38.950 38.950 39.410 -0.460 RESID 32 (F): H 8.295 8.295 8.413 -0.118 RESID 33 (D): N 116.500 116.500 119.209 -2.709 RESID 33 (D): C 179.100 179.100 178.061 1.039 RESID 33 (D): CA 56.180 56.180 56.776 -0.596 RESID 33 (D): CB 38.610 38.610 40.411 -1.801 RESID 33 (D): H 8.935 8.935 7.341 1.594 RESID 34 (I): N 118.800 118.800 119.662 -0.862 RESID 34 (I): C 178.000 178.000 177.725 0.275 RESID 34 (I): CA 60.950 60.950 64.812 -3.862 RESID 34 (I): CB 33.620 33.620 37.798 -4.178 RESID 34 (I): H 6.535 6.535 7.804 -1.269 RESID 35 (D): N 121.000 121.000 119.596 1.404 RESID 35 (D): C 180.300 180.300 178.384 1.916 RESID 35 (D): CA 57.100 57.100 57.447 -0.347 RESID 35 (D): CB 40.420 40.420 40.306 0.114 RESID 35 (D): H 8.536 8.536 7.930 0.606 RESID 36 (L): N 120.500 120.500 120.946 -0.446 RESID 36 (L): C 178.500 178.500 177.985 0.515 RESID 36 (L): CA 57.720 57.720 57.756 -0.036 RESID 36 (L): CB 42.230 42.230 41.566 0.664 RESID 36 (L): H 8.508 8.508 7.196 1.312 RESID 37 (A): N 120.200 120.200 121.813 -1.613 RESID 37 (A): C 178.600 178.600 179.511 -0.911 RESID 37 (A): CA 55.170 55.170 55.333 -0.163 RESID 37 (A): CB 17.340 17.340 18.452 -1.112 RESID 37 (A): H 8.383 8.383 7.674 0.709 RESID 38 (K): N 116.400 116.400 119.237 -2.837 RESID 38 (K): C 180.100 180.100 179.153 0.947 RESID 38 (K): CA 60.530 60.530 60.107 0.423 RESID 38 (K): CB 31.840 31.840 32.324 -0.484 RESID 38 (K): H 8.780 8.780 8.127 0.653 RESID 39 (E): N 121.500 121.500 119.356 2.144 RESID 39 (E): C 178.300 178.300 179.364 -1.064 RESID 39 (E): CA 58.430 58.430 59.314 -0.884 RESID 39 (E): CB 27.990 27.990 29.496 -1.506 RESID 39 (E): H 7.692 7.692 7.771 -0.079 RESID 40 (L): N 121.500 121.500 120.511 0.989 RESID 40 (L): C 178.700 178.700 178.842 -0.142 RESID 40 (L): CA 58.490 58.490 58.332 0.158 RESID 40 (L): CB 40.250 40.250 41.757 -1.507 RESID 40 (L): H 8.563 8.563 7.933 0.630 RESID 41 (C): N 115.700 115.700 118.333 -2.633 RESID 41 (C): C 175.800 175.800 177.478 -1.678 RESID 41 (C): CA 62.390 62.390 62.734 -0.344 RESID 41 (C): CB 46.860 46.860 25.439 21.421 RESID 41 (C): H 8.598 8.598 8.762 -0.164 RESID 42 (K): N 119.300 119.300 119.673 -0.373 RESID 42 (K): C 180.800 180.800 179.133 1.667 RESID 42 (K): CA 58.810 58.810 59.454 -0.644 RESID 42 (K): CB 31.430 31.430 32.350 -0.920 RESID 42 (K): H 7.490 7.490 8.103 -0.613 RESID 43 (R): N 119.500 119.500 118.013 1.487 RESID 43 (R): C 178.700 178.700 178.669 0.031 RESID 43 (R): CA 58.760 58.760 58.460 0.300 RESID 43 (R): CB 29.980 29.980 30.207 -0.227 RESID 43 (R): H 8.057 8.057 7.585 0.472 RESID 44 (I): N 111.800 111.800 117.566 -5.766 RESID 44 (I): C 175.000 175.000 175.841 -0.841 RESID 44 (I): CA 60.940 60.940 63.109 -2.169 RESID 44 (I): CB 36.630 36.630 38.196 -1.566 RESID 44 (I): H 7.765 7.765 8.418 -0.653 RESID 45 (N): N 118.800 118.800 115.646 3.154 RESID 45 (N): C 173.600 173.600 173.936 -0.336 RESID 45 (N): CA 53.670 53.670 54.622 -0.952 RESID 45 (N): CB 36.620 36.620 35.904 0.716 RESID 45 (N): H 7.752 7.752 8.078 -0.326 RESID 46 (T): N 112.800 112.800 105.683 7.117 RESID 46 (T): C 173.100 173.100 172.832 0.268 RESID 46 (T): CA 60.020 60.020 60.281 -0.261 RESID 46 (T): CB 70.500 70.500 71.856 -1.357 RESID 46 (T): H 7.920 7.920 7.945 -0.025 RESID 47 (Q): N 123.500 123.500 119.980 3.520 RESID 47 (Q): C 175.400 175.400 174.580 0.820 RESID 47 (Q): CA 54.550 54.550 55.095 -0.545 RESID 47 (Q): CB 28.670 28.670 30.524 -1.854 RESID 47 (Q): H 8.037 8.037 8.343 -0.306 RESID 48 (C): N 123.800 123.800 124.244 -0.444 RESID 48 (C): C 173.800 173.800 174.407 -0.607 RESID 48 (C): CA 53.170 53.170 57.878 -4.708 RESID 48 (C): CB 47.290 47.290 29.479 17.811 RESID 48 (C): H 8.881 8.881 8.672 0.209 RESID 49 (T): N 118.600 118.600 120.543 -1.943 RESID 49 (T): C 172.700 172.700 172.565 0.135 RESID 49 (T): CA 60.210 60.210 61.260 -1.050 RESID 49 (T): CB 70.980 70.980 70.956 0.024 RESID 49 (T): H 8.324 8.324 8.804 -0.480 RESID 50 (F): N 123.800 123.800 126.050 -2.250 RESID 50 (F): C 175.800 175.800 175.934 -0.134 RESID 50 (F): CA 57.370 57.370 57.364 0.006 RESID 50 (F): CB 40.730 40.730 40.288 0.442 RESID 50 (F): H 8.982 8.982 8.633 0.349 RESID 51 (V): N 126.300 126.300 123.670 2.630 RESID 51 (V): C 174.700 174.700 174.714 -0.014 RESID 51 (V): CA 60.650 60.650 60.672 -0.022 RESID 51 (V): CB 33.700 33.700 35.428 -1.728 RESID 51 (V): H 9.271 9.271 8.976 0.295 RESID 52 (E): N 126.900 126.900 129.019 -2.119 RESID 52 (E): C 176.900 176.900 175.105 1.795 RESID 52 (E): CA 54.480 54.480 57.545 -3.065 RESID 52 (E): CB 29.350 29.350 30.363 -1.013 RESID 52 (E): H 8.617 8.617 8.787 -0.170 RESID 53 (N): N 127.100 127.100 119.682 7.418 RESID 53 (N): C 170.600 170.600 172.693 -2.093 RESID 53 (N): CA 51.220 51.220 51.073 0.147 RESID 53 (N): CB 43.980 43.980 38.696 5.284 RESID 53 (N): H 8.917 8.917 8.191 0.726 RESID 54 (P): C 178.600 178.600 178.770 -0.170 RESID 54 (P): CA 61.650 61.650 62.344 -0.694 RESID 54 (P): CB 31.460 31.460 32.929 -1.469 RESID 55 (L): N 124.200 124.200 124.321 -0.121 RESID 55 (L): C 179.600 179.600 178.721 0.879 RESID 55 (L): CA 58.130 58.130 59.179 -1.049 RESID 55 (L): CB 41.470 41.470 41.429 0.041 RESID 55 (L): H 9.096 9.096 8.785 0.311 RESID 56 (D): N 115.400 115.400 119.025 -3.625 RESID 56 (D): C 176.500 176.500 177.330 -0.830 RESID 56 (D): CA 56.080 56.080 56.851 -0.771 RESID 56 (D): CB 39.640 39.640 40.182 -0.542 RESID 56 (D): H 8.651 8.651 8.528 0.123 RESID 57 (A): N 120.400 120.400 119.958 0.442 RESID 57 (A): C 180.000 180.000 178.954 1.046 RESID 57 (A): CA 51.440 51.440 53.646 -2.206 RESID 57 (A): CB 19.170 19.170 19.627 -0.457 RESID 57 (A): H 8.079 8.079 8.341 -0.262 RESID 58 (L): N 122.300 122.300 121.152 1.148 RESID 58 (L): C 177.800 177.800 178.767 -0.967 RESID 58 (L): CA 58.960 58.960 58.094 0.866 RESID 58 (L): CB 40.150 40.150 41.922 -1.772 RESID 58 (L): H 7.783 7.783 8.039 -0.256 RESID 59 (I): N 119.600 119.600 119.495 0.105 RESID 59 (I): C 176.400 176.400 175.132 1.268 RESID 59 (I): CA 68.170 68.170 66.570 1.600 RESID 59 (I): CB 33.980 33.980 34.700 -0.720 RESID 59 (I): H 9.094 9.094 7.722 1.372 RESID 60 (P): C 180.100 180.100 179.221 0.879 RESID 60 (P): CA 65.890 65.890 66.538 -0.648 RESID 60 (P): CB 29.980 29.980 31.252 -1.272 RESID 61 (S): N 114.800 114.800 114.910 -0.110 RESID 61 (S): C 175.500 175.500 176.683 -1.183 RESID 61 (S): CA 62.170 62.170 61.910 0.260 RESID 61 (S): H 7.865 7.865 8.267 -0.402 RESID 62 (L): N 126.200 126.200 123.096 3.104 RESID 62 (L): C 181.000 181.000 178.983 2.017 RESID 62 (L): CA 57.400 57.400 57.715 -0.315 RESID 62 (L): CB 41.820 41.820 41.781 0.039 RESID 62 (L): H 8.296 8.296 8.135 0.161 RESID 63 (K): N 121.000 121.000 119.112 1.888 RESID 63 (K): C 178.000 178.000 177.913 0.087 RESID 63 (K): CA 59.500 59.500 59.178 0.322 RESID 63 (K): CB 30.770 30.770 32.495 -1.725 RESID 63 (K): H 8.461 8.461 7.800 0.661 RESID 64 (A): N 118.700 118.700 118.671 0.029 RESID 64 (A): C 176.200 176.200 176.671 -0.471 RESID 64 (A): CA 51.680 51.680 51.982 -0.302 RESID 64 (A): CB 18.140 18.140 18.596 -0.456 RESID 64 (A): H 7.686 7.686 7.941 -0.255 RESID 65 (K): N 112.200 112.200 114.034 -1.834 RESID 65 (K): C 176.000 176.000 176.458 -0.458 RESID 65 (K): CA 57.800 57.800 57.976 -0.176 RESID 65 (K): CB 27.730 27.730 29.903 -2.173 RESID 65 (K): H 7.751 7.751 7.671 0.080 RESID 66 (K): N 118.300 118.300 115.413 2.887 RESID 66 (K): C 176.600 176.600 177.139 -0.539 RESID 66 (K): CA 57.200 57.200 58.445 -1.245 RESID 66 (K): CB 32.170 32.170 33.007 -0.837 RESID 66 (K): H 8.415 8.415 7.810 0.605 RESID 67 (I): N 107.500 107.500 112.518 -5.018 RESID 67 (I): C 174.000 174.000 175.398 -1.398 RESID 67 (I): CA 59.050 59.050 59.037 0.013 RESID 67 (I): CB 40.470 40.470 41.040 -0.570 RESID 67 (I): H 7.034 7.034 7.264 -0.230 RESID 68 (D): N 119.000 119.000 121.978 -2.978 RESID 68 (D): C 172.200 172.200 175.799 -3.599 RESID 68 (D): CA 55.560 55.560 55.438 0.122 RESID 68 (D): CB 44.210 44.210 42.530 1.680 RESID 68 (D): H 9.739 9.739 8.552 1.187 RESID 69 (A): N 117.400 117.400 117.878 -0.478 RESID 69 (A): C 175.900 175.900 174.857 1.043 RESID 69 (A): CA 50.120 50.120 51.169 -1.049 RESID 69 (A): CB 21.960 21.960 22.083 -0.123 RESID 69 (A): H 7.660 7.660 7.669 -0.009 RESID 70 (I): N 120.500 120.500 120.628 -0.128 RESID 70 (I): C 174.500 174.500 174.461 0.039 RESID 70 (I): CA 60.060 60.060 60.642 -0.582 RESID 70 (I): CB 41.190 41.190 40.993 0.197 RESID 70 (I): H 9.402 9.402 8.052 1.350 RESID 71 (M): N 128.300 128.300 129.533 -1.233 RESID 71 (M): C 172.500 172.500 173.815 -1.315 RESID 71 (M): CA 53.040 53.040 54.976 -1.936 RESID 71 (M): CB 33.940 33.940 34.631 -0.691 RESID 71 (M): H 8.431 8.431 8.224 0.207 RESID 72 (S): N 122.700 122.700 119.852 2.848 RESID 72 (S): C 172.800 172.800 173.845 -1.045 RESID 72 (S): CA 57.630 57.630 56.618 1.012 RESID 72 (S): CB 64.590 64.590 65.532 -0.942 RESID 72 (S): H 8.717 8.717 8.595 0.122 RESID 73 (S): N 120.600 120.600 116.407 4.193 RESID 73 (S): C 174.900 174.900 175.002 -0.102 RESID 73 (S): CA 58.590 58.590 59.910 -1.320 RESID 73 (S): CB 62.920 62.920 63.088 -0.168 RESID 73 (S): H 8.570 8.570 8.662 -0.092 RESID 74 (L): N 120.700 120.700 124.048 -3.348 RESID 74 (L): C 175.300 175.300 175.824 -0.524 RESID 74 (L): CA 54.320 54.320 55.438 -1.119 RESID 74 (L): CB 42.350 42.350 42.606 -0.257 RESID 74 (L): H 8.678 8.678 7.725 0.953 RESID 75 (S): N 122.000 122.000 120.054 1.946 RESID 75 (S): C 174.500 174.500 173.686 0.814 RESID 75 (S): CA 59.250 59.250 57.078 2.172 RESID 75 (S): CB 63.060 63.060 64.713 -1.653 RESID 75 (S): H 8.142 8.142 7.936 0.206 RESID 76 (I): N 125.200 125.200 116.067 9.133 RESID 76 (I): C 175.500 175.500 174.456 1.044 RESID 76 (I): CA 61.340 61.340 59.706 1.634 RESID 76 (I): CB 35.790 35.790 39.617 -3.827 RESID 76 (I): H 8.307 8.307 8.340 -0.033 RESID 77 (T): N 116.600 116.600 113.675 2.925 RESID 77 (T): C 174.800 174.800 175.078 -0.278 RESID 77 (T): CA 57.760 57.760 59.968 -2.208 RESID 77 (T): CB 71.570 71.570 72.308 -0.738 RESID 77 (T): H 6.513 6.513 7.546 -1.033 RESID 78 (E): N 124.500 124.500 124.878 -0.378 RESID 78 (E): C 179.500 179.500 177.949 1.551 RESID 78 (E): CA 59.140 59.140 60.831 -1.691 RESID 78 (E): CB 28.630 28.630 29.177 -0.547 RESID 78 (E): H 8.935 8.935 8.908 0.027 RESID 79 (K): N 118.400 118.400 118.338 0.062 RESID 79 (K): C 180.600 180.600 179.026 1.574 RESID 79 (K): CA 58.890 58.890 59.206 -0.316 RESID 79 (K): CB 31.610 31.610 32.298 -0.688 RESID 79 (K): H 8.415 8.415 8.367 0.048 RESID 80 (R): N 118.500 118.500 118.816 -0.316 RESID 80 (R): C 179.100 179.100 178.967 0.133 RESID 80 (R): CA 59.580 59.580 59.218 0.362 RESID 80 (R): CB 30.380 30.380 30.071 0.309 RESID 80 (R): H 7.678 7.678 7.398 0.280 RESID 81 (Q): N 119.000 119.000 119.683 -0.683 RESID 81 (Q): C 176.600 176.600 178.630 -2.030 RESID 81 (Q): CA 57.510 57.510 58.977 -1.467 RESID 81 (Q): CB 28.880 28.880 28.577 0.303 RESID 81 (Q): H 8.418 8.418 8.254 0.164 RESID 82 (Q): N 115.300 115.300 117.378 -2.078 RESID 82 (Q): C 177.400 177.400 177.979 -0.579 RESID 82 (Q): CA 57.280 57.280 58.336 -1.056 RESID 82 (Q): CB 27.950 27.950 28.529 -0.579 RESID 82 (Q): H 7.297 7.297 7.923 -0.626 RESID 83 (E): N 115.600 115.600 117.692 -2.092 RESID 83 (E): C 176.400 176.400 177.318 -0.918 RESID 83 (E): CA 56.950 56.950 58.373 -1.423 RESID 83 (E): CB 33.090 33.090 31.185 1.905 RESID 83 (E): H 7.627 7.627 7.935 -0.308 RESID 84 (I): N 115.100 115.100 111.820 3.280 RESID 84 (I): C 172.600 172.600 173.933 -1.333 RESID 84 (I): CA 59.380 59.380 58.933 0.447 RESID 84 (I): CB 40.830 40.830 41.474 -0.644 RESID 84 (I): H 8.275 8.275 7.982 0.293 RESID 85 (A): N 120.600 120.600 120.367 0.233 RESID 85 (A): C 175.000 175.000 175.200 -0.200 RESID 85 (A): CA 49.150 49.150 50.236 -1.086 RESID 85 (A): CB 22.280 22.280 21.494 0.786 RESID 85 (A): H 8.679 8.679 8.438 0.241 RESID 86 (F): N 115.500 115.500 118.911 -3.411 RESID 86 (F): C 178.800 178.800 175.867 2.933 RESID 86 (F): CA 55.850 55.850 56.760 -0.910 RESID 86 (F): CB 44.300 44.300 44.058 0.242 RESID 86 (F): H 8.283 8.283 8.602 -0.319 RESID 87 (T): N 108.200 108.200 114.809 -6.609 RESID 87 (T): C 174.700 174.700 173.814 0.886 RESID 87 (T): CA 61.930 61.930 61.133 0.797 RESID 87 (T): CB 72.740 72.740 70.057 2.683 RESID 87 (T): H 7.898 7.898 8.300 -0.402 RESID 88 (D): N 118.400 118.400 120.585 -2.185 RESID 88 (D): C 174.300 174.300 175.723 -1.423 RESID 88 (D): CA 55.030 55.030 55.789 -0.759 RESID 88 (D): CB 40.870 40.870 39.827 1.043 RESID 88 (D): H 8.789 8.789 8.818 -0.029 RESID 89 (K): N 118.100 118.100 116.691 1.409 RESID 89 (K): C 176.200 176.200 176.740 -0.540 RESID 89 (K): CA 55.570 55.570 57.257 -1.687 RESID 89 (K): CB 31.850 31.850 31.508 0.342 RESID 89 (K): H 7.666 7.666 7.718 -0.053 RESID 90 (L): N 123.400 123.400 125.991 -2.591 RESID 90 (L): C 178.000 178.000 177.786 0.214 RESID 90 (L): CA 54.450 54.450 57.021 -2.571 RESID 90 (L): CB 41.710 41.710 43.099 -1.389 RESID 90 (L): H 8.778 8.778 8.581 0.197 RESID 91 (Y): N 110.500 110.500 109.979 0.521 RESID 91 (Y): C 172.600 172.600 173.713 -1.113 RESID 91 (Y): CA 56.070 56.070 55.553 0.517 RESID 91 (Y): CB 37.670 37.670 40.505 -2.835 RESID 91 (Y): H 6.810 6.810 7.158 -0.348 RESID 92 (A): N 123.100 123.100 122.326 0.774 RESID 92 (A): C 175.600 175.600 176.697 -1.097 RESID 92 (A): CA 51.940 51.940 51.089 0.851 RESID 92 (A): CB 20.320 20.320 19.667 0.653 RESID 92 (A): H 8.135 8.135 9.066 -0.931 RESID 93 (A): N 127.000 127.000 127.566 -0.566 RESID 93 (A): C 175.700 175.700 176.585 -0.885 RESID 93 (A): CA 51.020 51.020 50.579 0.441 RESID 93 (A): CB 18.310 18.310 18.407 -0.097 RESID 93 (A): H 8.658 8.658 8.334 0.324 RESID 94 (D): N 122.900 122.900 121.606 1.294 RESID 94 (D): C 175.300 175.300 176.101 -0.801 RESID 94 (D): CA 53.910 53.910 55.003 -1.093 RESID 94 (D): CB 42.030 42.030 42.288 -0.258 RESID 94 (D): H 8.497 8.497 7.740 0.757 RESID 95 (S): N 110.300 110.300 112.212 -1.912 RESID 95 (S): C 171.600 171.600 173.052 -1.452 RESID 95 (S): CA 57.850 57.850 57.339 0.511 RESID 95 (S): CB 66.410 66.410 66.476 -0.066 RESID 95 (S): H 6.844 6.844 7.886 -1.042 RESID 96 (R): N 124.300 124.300 119.640 4.660 RESID 96 (R): C 173.700 173.700 173.829 -0.129 RESID 96 (R): CA 57.450 57.450 55.854 1.596 RESID 96 (R): CB 34.070 34.070 34.371 -0.301 RESID 96 (R): H 9.227 9.227 8.763 0.464 RESID 97 (L): N 124.100 124.100 125.007 -0.907 RESID 97 (L): C 177.600 177.600 175.937 1.663 RESID 97 (L): CA 54.150 54.150 53.735 0.415 RESID 97 (L): CB 42.640 42.640 44.455 -1.815 RESID 97 (L): H 9.343 9.343 8.013 1.330 RESID 98 (V): N 124.500 124.500 123.538 0.962 RESID 98 (V): C 175.700 175.700 174.925 0.775 RESID 98 (V): CA 61.770 61.770 60.879 0.891 RESID 98 (V): CB 32.950 32.950 32.613 0.337 RESID 98 (V): H 9.500 9.500 7.992 1.508 RESID 99 (V): N 116.800 116.800 122.076 -5.276 RESID 99 (V): C 174.600 174.600 173.938 0.662 RESID 99 (V): CA 58.190 58.190 59.044 -0.854 RESID 99 (V): CB 36.780 36.780 35.868 0.912 RESID 99 (V): H 9.192 9.192 8.007 1.185 RESID 100 (A): N 123.400 123.400 122.457 0.943 RESID 100 (A): C 179.200 179.200 178.529 0.671 RESID 100 (A): CA 52.690 52.690 50.583 2.107 RESID 100 (A): CB 18.160 18.160 19.844 -1.684 RESID 100 (A): H 9.043 9.043 8.355 0.688 RESID 101 (K): N 119.600 119.600 123.579 -3.979 RESID 101 (K): C 176.800 176.800 177.002 -0.202 RESID 101 (K): CA 59.360 59.360 58.966 0.394 RESID 101 (K): CB 31.380 31.380 31.896 -0.516 RESID 101 (K): H 7.840 7.840 8.910 -1.070 RESID 102 (N): N 114.400 114.400 115.640 -1.240 RESID 102 (N): C 175.500 175.500 175.235 0.265 RESID 102 (N): CA 52.330 52.330 54.586 -2.256 RESID 102 (N): CB 36.990 36.990 38.560 -1.570 RESID 102 (N): H 7.941 7.941 8.183 -0.242 RESID 103 (S): N 114.800 114.800 114.728 0.072 RESID 103 (S): C 176.000 176.000 173.287 2.713 RESID 103 (S): CA 58.180 58.180 57.465 0.715 RESID 103 (S): CB 64.310 64.310 63.914 0.396 RESID 103 (S): H 7.700 7.700 7.586 0.114 RESID 104 (D): N 128.500 128.500 129.254 -0.754 RESID 104 (D): C 176.700 176.700 175.165 1.535 RESID 104 (D): CA 52.990 52.990 54.007 -1.017 RESID 104 (D): CB 40.330 40.330 40.873 -0.543 RESID 104 (D): H 8.548 8.548 8.538 0.010 RESID 105 (I): N 122.800 122.800 124.714 -1.914 RESID 105 (I): C 173.800 173.800 174.603 -0.803 RESID 105 (I): CA 63.580 63.580 60.571 3.009 RESID 105 (I): CB 37.490 37.490 40.528 -3.038 RESID 105 (I): H 7.826 7.826 8.192 -0.366 RESID 106 (Q): N 124.600 124.600 124.992 -0.392 RESID 106 (Q): C 174.700 174.700 173.810 0.890 RESID 106 (Q): CA 51.380 51.380 52.073 -0.693 RESID 106 (Q): CB 31.050 31.050 29.915 1.135 RESID 106 (Q): H 8.174 8.174 8.499 -0.325 RESID 107 (P): C 175.300 175.300 175.793 -0.493 RESID 107 (P): CA 61.880 61.880 63.663 -1.783 RESID 107 (P): CB 26.860 26.860 31.035 -4.176 RESID 108 (T): N 114.600 114.600 117.735 -3.135 RESID 108 (T): C 174.000 174.000 174.385 -0.385 RESID 108 (T): CA 57.690 57.690 61.603 -3.913 RESID 108 (T): CB 71.020 71.020 71.986 -0.966 RESID 108 (T): H 8.531 8.531 7.658 0.873 RESID 109 (V): N 121.800 121.800 123.189 -1.389 RESID 109 (V): C 177.300 177.300 176.936 0.364 RESID 109 (V): CA 65.600 65.600 64.747 0.853 RESID 109 (V): CB 30.580 30.580 32.778 -2.198 RESID 109 (V): H 8.775 8.775 8.480 0.295 RESID 110 (E): N 116.900 116.900 120.833 -3.933 RESID 110 (E): C 178.400 178.400 178.667 -0.267 RESID 110 (E): CA 59.260 59.260 60.119 -0.859 RESID 110 (E): CB 28.170 28.170 29.049 -0.879 RESID 110 (E): H 8.414 8.414 8.383 0.031 RESID 111 (S): N 113.200 113.200 113.408 -0.208 RESID 111 (S): C 176.500 176.500 175.903 0.597 RESID 111 (S): CA 59.370 59.370 60.987 -1.617 RESID 111 (S): CB 63.730 63.730 62.498 1.232 RESID 111 (S): H 7.387 7.387 8.450 -1.063 RESID 112 (L): N 116.100 116.100 120.380 -4.280 RESID 112 (L): C 176.700 176.700 176.686 0.014 RESID 112 (L): CA 54.580 54.580 55.326 -0.746 RESID 112 (L): CB 42.650 42.650 42.563 0.087 RESID 112 (L): H 7.676 7.676 7.329 0.347 RESID 113 (K): N 121.000 121.000 119.250 1.750 RESID 113 (K): C 178.200 178.200 177.511 0.689 RESID 113 (K): CA 58.850 58.850 58.218 0.632 RESID 113 (K): CB 30.850 30.850 32.249 -1.399 RESID 113 (K): H 7.445 7.445 7.746 -0.301 RESID 114 (G): N 113.900 113.900 112.962 0.938 RESID 114 (G): C 174.200 174.200 174.795 -0.595 RESID 114 (G): CA 45.240 45.240 45.369 -0.129 RESID 114 (G): H 8.454 8.454 8.361 0.093 RESID 115 (K): N 120.600 120.600 121.719 -1.119 RESID 115 (K): C 174.800 174.800 176.137 -1.337 RESID 115 (K): CA 53.710 53.710 54.767 -1.057 RESID 115 (K): CB 31.990 31.990 33.254 -1.264 RESID 115 (K): H 8.530 8.530 7.866 0.664 RESID 116 (R): N 119.300 119.300 120.958 -1.658 RESID 116 (R): C 176.000 176.000 175.658 0.342 RESID 116 (R): CA 54.720 54.720 55.778 -1.058 RESID 116 (R): CB 32.310 32.310 31.630 0.680 RESID 116 (R): H 9.455 9.455 8.408 1.047 RESID 117 (V): N 126.100 126.100 123.265 2.835 RESID 117 (V): C 175.300 175.300 174.743 0.557 RESID 117 (V): CA 60.090 60.090 60.174 -0.084 RESID 117 (V): CB 33.620 33.620 35.913 -2.293 RESID 117 (V): H 9.217 9.217 8.554 0.663 RESID 118 (G): N 114.000 114.000 113.388 0.612 RESID 118 (G): C 172.300 172.300 172.584 -0.284 RESID 118 (G): CA 45.010 45.010 43.551 1.459 RESID 118 (G): H 9.367 9.367 8.024 1.343 RESID 119 (V): N 116.400 116.400 122.390 -5.990 RESID 119 (V): C 174.100 174.100 174.059 0.041 RESID 119 (V): CA 58.270 58.270 60.452 -2.182 RESID 119 (V): CB 36.370 36.370 36.981 -0.611 RESID 119 (V): H 9.166 9.166 9.308 -0.142 RESID 120 (L): N 124.400 124.400 124.173 0.227 RESID 120 (L): C 176.900 176.900 175.664 1.236 RESID 120 (L): CA 53.690 53.690 53.973 -0.283 RESID 120 (L): CB 41.240 41.240 42.689 -1.449 RESID 120 (L): H 8.961 8.961 8.835 0.126 RESID 121 (Q): N 128.000 128.000 127.139 0.861 RESID 121 (Q): C 176.900 176.900 177.230 -0.330 RESID 121 (Q): CA 56.680 56.680 57.121 -0.441 RESID 121 (Q): CB 27.920 27.920 29.535 -1.615 RESID 121 (Q): H 9.305 9.305 9.006 0.299 RESID 122 (G): N 113.600 113.600 113.763 -0.163 RESID 122 (G): C 175.100 175.100 173.576 1.524 RESID 122 (G): CA 45.240 45.240 45.475 -0.235 RESID 122 (G): H 9.383 9.383 8.677 0.706 RESID 123 (T): N 108.400 108.400 110.229 -1.829 RESID 123 (T): C 176.800 176.800 174.454 2.346 RESID 123 (T): CA 60.260 60.260 59.991 0.269 RESID 123 (T): CB 73.530 73.530 70.660 2.870 RESID 123 (T): H 7.220 7.220 7.747 -0.527 RESID 124 (T): N 113.900 113.900 112.791 1.109 RESID 124 (T): C 178.100 178.100 176.523 1.577 RESID 124 (T): CA 63.990 63.990 64.835 -0.845 RESID 124 (T): CB 67.740 67.740 68.727 -0.987 RESID 124 (T): H 8.934 8.934 8.657 0.277 RESID 125 (Q): N 120.600 120.600 122.314 -1.714 RESID 125 (Q): C 178.300 178.300 178.150 0.150 RESID 125 (Q): CA 61.670 61.670 59.696 1.974 RESID 125 (Q): CB 25.310 25.310 28.031 -2.721 RESID 125 (Q): H 7.521 7.521 8.282 -0.761 RESID 126 (E): N 121.900 121.900 119.775 2.125 RESID 126 (E): C 177.600 177.600 178.911 -1.311 RESID 126 (E): CA 59.630 59.630 59.823 -0.193 RESID 126 (E): CB 28.730 28.730 29.642 -0.912 RESID 126 (E): H 7.717 7.717 7.797 -0.080 RESID 127 (T): N 117.800 117.800 116.265 1.535 RESID 127 (T): C 176.200 176.200 176.399 -0.199 RESID 127 (T): CA 66.340 66.340 66.819 -0.479 RESID 127 (T): CB 67.590 67.590 68.727 -1.137 RESID 127 (T): H 8.175 8.175 7.632 0.543 RESID 128 (F): N 121.900 121.900 121.962 -0.062 RESID 128 (F): C 178.000 178.000 177.556 0.444 RESID 128 (F): CA 61.590 61.590 60.732 0.858 RESID 128 (F): CB 38.810 38.810 38.913 -0.102 RESID 128 (F): H 8.882 8.882 8.657 0.225 RESID 129 (G): N 107.000 107.000 107.101 -0.101 RESID 129 (G): C 176.100 176.100 176.484 -0.384 RESID 129 (G): CA 46.690 46.690 47.219 -0.529 RESID 129 (G): H 8.900 8.900 9.150 -0.250 RESID 130 (N): N 123.000 123.000 118.429 4.571 RESID 130 (N): C 176.200 176.200 175.827 0.373 RESID 130 (N): CA 55.400 55.400 55.336 0.064 RESID 130 (N): CB 37.570 37.570 38.197 -0.626 RESID 130 (N): H 8.915 8.915 8.544 0.371 RESID 131 (E): N 119.000 119.000 116.717 2.283 RESID 131 (E): C 177.900 177.900 177.090 0.810 RESID 131 (E): CA 57.940 57.940 56.706 1.234 RESID 131 (E): CB 29.350 29.350 30.766 -1.416 RESID 131 (E): H 7.907 7.907 7.484 0.423 RESID 132 (H): N 112.600 112.600 118.620 -6.020 RESID 132 (H): C 175.900 175.900 175.541 0.359 RESID 132 (H): CA 56.910 56.910 58.772 -1.862 RESID 132 (H): CB 30.510 30.510 29.815 0.695 RESID 132 (H): H 7.877 7.877 7.875 0.002 RESID 133 (W): N 119.300 119.300 117.433 1.867 RESID 133 (W): C 176.800 176.800 176.179 0.621 RESID 133 (W): CA 55.570 55.570 56.541 -0.971 RESID 133 (W): CB 30.400 30.400 29.757 0.643 RESID 133 (W): H 7.653 7.653 7.485 0.168 RESID 134 (A): N 125.400 125.400 124.639 0.761 RESID 134 (A): C 177.700 177.700 177.217 0.483 RESID 134 (A): CA 55.410 55.410 54.617 0.793 RESID 134 (A): CB 15.990 15.990 16.815 -0.825 RESID 134 (A): H 8.711 8.711 7.533 1.178 RESID 135 (P): C 177.200 177.200 177.367 -0.167 RESID 135 (P): CA 64.510 64.510 64.185 0.325 RESID 135 (P): CB 30.800 30.800 30.987 -0.187 RESID 136 (K): N 115.800 115.800 116.218 -0.418 RESID 136 (K): C 176.500 176.500 177.629 -1.129 RESID 136 (K): CA 53.530 53.530 55.929 -2.399 RESID 136 (K): CB 31.430 31.430 32.045 -0.616 RESID 136 (K): H 7.665 7.665 8.120 -0.455 RESID 137 (G): N 106.100 106.100 108.352 -2.252 RESID 137 (G): C 174.300 174.300 173.512 0.788 RESID 137 (G): CA 45.740 45.740 45.369 0.371 RESID 137 (G): H 7.864 7.864 7.669 0.195 RESID 138 (I): N 124.400 124.400 119.369 5.031 RESID 138 (I): C 174.400 174.400 174.805 -0.405 RESID 138 (I): CA 60.460 60.460 60.101 0.359 RESID 138 (I): CB 38.080 38.080 39.841 -1.761 RESID 138 (I): H 6.889 6.889 7.478 -0.589 RESID 139 (E): N 128.400 128.400 127.304 1.096 RESID 139 (E): C 173.900 173.900 175.105 -1.205 RESID 139 (E): CA 56.050 56.050 55.623 0.426 RESID 139 (E): CB 29.490 29.490 31.222 -1.732 RESID 139 (E): H 8.230 8.230 8.341 -0.111 RESID 140 (I): N 129.500 129.500 121.622 7.878 RESID 140 (I): C 176.100 176.100 174.774 1.326 RESID 140 (I): CA 57.100 57.100 59.030 -1.930 RESID 140 (I): CB 34.440 34.440 40.615 -6.175 RESID 140 (I): H 8.642 8.642 8.352 0.290 RESID 141 (V): N 133.000 133.000 125.200 7.800 RESID 141 (V): C 174.400 174.400 174.521 -0.121 RESID 141 (V): CA 61.060 61.060 61.148 -0.088 RESID 141 (V): CB 32.410 32.410 36.205 -3.795 RESID 141 (V): H 9.387 9.387 8.889 0.498 RESID 142 (S): N 122.900 122.900 120.115 2.785 RESID 142 (S): C 175.000 175.000 173.532 1.468 RESID 142 (S): CA 57.710 57.710 57.406 0.304 RESID 142 (S): CB 63.710 63.710 63.691 0.018 RESID 142 (S): H 8.490 8.490 8.394 0.096 RESID 143 (Y): N 123.400 123.400 126.186 -2.786 RESID 143 (Y): C 175.900 175.900 176.367 -0.467 RESID 143 (Y): CA 57.300 57.300 57.724 -0.424 RESID 143 (Y): CB 42.300 42.300 41.339 0.961 RESID 143 (Y): H 8.979 8.979 9.257 -0.278 RESID 144 (Q): N 119.500 119.500 120.083 -0.583 RESID 144 (Q): C 176.000 176.000 174.899 1.101 RESID 144 (Q): CA 56.490 56.490 55.885 0.605 RESID 144 (Q): CB 28.470 28.470 29.874 -1.404 RESID 144 (Q): H 8.974 8.974 8.741 0.233 RESID 145 (G): N 106.800 106.800 107.379 -0.579 RESID 145 (G): C 173.500 173.500 174.167 -0.667 RESID 145 (G): CA 44.300 44.300 44.336 -0.036 RESID 145 (G): H 7.531 7.531 7.867 -0.336 RESID 146 (Q): N 124.300 124.300 122.905 1.395 RESID 146 (Q): C 177.200 177.200 177.344 -0.144 RESID 146 (Q): CA 57.800 57.800 58.786 -0.986 RESID 146 (Q): CB 28.190 28.190 28.639 -0.449 RESID 146 (Q): H 8.949 8.949 8.861 0.088 RESID 147 (D): N 117.900 117.900 118.433 -0.533 RESID 147 (D): C 178.900 178.900 178.478 0.422 RESID 147 (D): CA 56.650 56.650 56.859 -0.209 RESID 147 (D): CB 38.890 38.890 39.745 -0.855 RESID 147 (D): H 8.746 8.746 8.786 -0.040 RESID 148 (N): N 117.500 117.500 117.752 -0.252 RESID 148 (N): C 176.700 176.700 177.315 -0.615 RESID 148 (N): CA 55.160 55.160 55.609 -0.449 RESID 148 (N): CB 38.700 38.700 38.104 0.596 RESID 148 (N): H 7.496 7.496 8.561 -1.065 RESID 149 (I): N 120.000 120.000 119.865 0.135 RESID 149 (I): C 177.400 177.400 177.531 -0.131 RESID 149 (I): CA 64.450 64.450 65.066 -0.616 RESID 149 (I): CB 35.900 35.900 37.574 -1.674 RESID 149 (I): H 6.793 6.793 7.097 -0.304 RESID 150 (Y): N 117.400 117.400 118.216 -0.816 RESID 150 (Y): C 178.800 178.800 178.055 0.745 RESID 150 (Y): CA 59.730 59.730 61.675 -1.946 RESID 150 (Y): CB 35.970 35.970 37.643 -1.673 RESID 150 (Y): H 6.897 6.897 7.393 -0.496 RESID 151 (S): N 117.000 117.000 114.933 2.067 RESID 151 (S): C 177.000 177.000 177.021 -0.021 RESID 151 (S): CA 61.300 61.300 61.688 -0.388 RESID 151 (S): CB 62.100 62.100 62.227 -0.127 RESID 151 (S): H 8.186 8.186 8.244 -0.058 RESID 152 (D): N 122.300 122.300 123.177 -0.877 RESID 152 (D): C 179.000 179.000 178.324 0.676 RESID 152 (D): CA 56.580 56.580 56.862 -0.282 RESID 152 (D): CB 38.240 38.240 40.394 -2.154 RESID 152 (D): H 7.541 7.541 7.728 -0.187 RESID 153 (L): N 124.100 124.100 121.191 2.909 RESID 153 (L): C 180.300 180.300 178.517 1.783 RESID 153 (L): CA 58.160 58.160 57.536 0.624 RESID 153 (L): CB 41.630 41.630 41.824 -0.194 RESID 153 (L): H 8.372 8.372 7.877 0.495 RESID 154 (T): N 111.900 111.900 113.572 -1.672 RESID 154 (T): C 176.700 176.700 175.373 1.327 RESID 154 (T): CA 63.920 63.920 65.388 -1.468 RESID 154 (T): CB 68.700 68.700 69.012 -0.312 RESID 154 (T): H 8.389 8.389 8.312 0.077 RESID 155 (A): N 121.800 121.800 120.098 1.702 RESID 155 (A): C 178.200 178.200 178.041 0.159 RESID 155 (A): CA 51.640 51.640 52.308 -0.668 RESID 155 (A): CB 18.990 18.990 19.366 -0.377 RESID 155 (A): H 7.444 7.444 7.062 0.382 RESID 156 (G): N 107.800 107.800 107.086 0.714 RESID 156 (G): C 175.100 175.100 175.372 -0.272 RESID 156 (G): CA 45.420 45.420 45.182 0.238 RESID 156 (G): H 7.921 7.921 8.011 -0.090 RESID 157 (R): N 119.000 119.000 119.224 -0.224 RESID 157 (R): C 176.600 176.600 175.735 0.865 RESID 157 (R): CA 57.260 57.260 57.620 -0.360 RESID 157 (R): CB 30.400 30.400 30.764 -0.364 RESID 157 (R): H 8.443 8.443 8.107 0.336 RESID 158 (I): N 108.900 108.900 112.809 -3.909 RESID 158 (I): C 173.700 173.700 174.283 -0.583 RESID 158 (I): CA 59.900 59.900 59.210 0.690 RESID 158 (I): CB 40.070 40.070 41.067 -0.997 RESID 158 (I): H 7.109 7.109 7.117 -0.008 RESID 159 (D): N 119.100 119.100 123.842 -4.742 RESID 159 (D): C 174.700 174.700 175.672 -0.972 RESID 159 (D): CA 55.900 55.900 56.352 -0.452 RESID 159 (D): CB 43.630 43.630 41.718 1.912 RESID 159 (D): H 8.737 8.737 8.479 0.258 RESID 160 (A): N 116.400 116.400 116.399 0.001 RESID 160 (A): C 174.900 174.900 174.331 0.569 RESID 160 (A): CA 50.190 50.190 51.463 -1.273 RESID 160 (A): CB 23.030 23.030 21.410 1.620 RESID 160 (A): H 7.702 7.702 7.173 0.529 RESID 161 (A): N 123.400 123.400 121.774 1.626 RESID 161 (A): C 175.500 175.500 175.667 -0.167 RESID 161 (A): CA 49.730 49.730 50.193 -0.463 RESID 161 (A): CB 21.110 21.110 21.644 -0.534 RESID 161 (A): H 8.915 8.915 7.999 0.916 RESID 162 (F): N 125.100 125.100 122.401 2.699 RESID 162 (F): C 172.900 172.900 174.953 -2.053 RESID 162 (F): CA 54.500 54.500 58.184 -3.684 RESID 162 (F): CB 39.400 39.400 38.861 0.539 RESID 162 (F): H 8.971 8.971 8.355 0.616 RESID 163 (Q): N 124.600 124.600 123.341 1.259 RESID 163 (Q): C 173.400 173.400 173.688 -0.288 RESID 163 (Q): CA 53.550 53.550 53.643 -0.093 RESID 163 (Q): CB 34.390 34.390 33.156 1.234 RESID 163 (Q): H 7.904 7.904 8.328 -0.424 RESID 164 (D): N 122.300 122.300 121.348 0.952 RESID 164 (D): C 175.800 175.800 177.241 -1.441 RESID 164 (D): CA 55.540 55.540 54.456 1.084 RESID 164 (D): CB 42.370 42.370 42.045 0.325 RESID 164 (D): H 8.304 8.304 8.438 -0.134 RESID 165 (E): N 128.600 128.600 122.871 5.729 RESID 165 (E): C 177.700 177.700 178.125 -0.425 RESID 165 (E): CA 60.230 60.230 60.128 0.102 RESID 165 (E): CB 30.020 30.020 29.813 0.207 RESID 165 (E): H 8.605 8.605 8.755 -0.150 RESID 166 (V): N 120.100 120.100 118.824 1.276 RESID 166 (V): C 178.300 178.300 177.287 1.013 RESID 166 (V): CA 66.800 66.800 66.732 0.068 RESID 166 (V): CB 30.070 30.070 30.290 -0.220 RESID 166 (V): H 8.748 8.748 8.219 0.529 RESID 167 (A): N 123.200 123.200 120.223 2.977 RESID 167 (A): C 182.500 182.500 179.110 3.390 RESID 167 (A): CA 54.980 54.980 54.708 0.272 RESID 167 (A): CB 17.910 17.910 18.019 -0.109 RESID 167 (A): H 8.655 8.655 7.931 0.724 RESID 168 (A): N 121.300 121.300 122.093 -0.793 RESID 168 (A): C 179.800 179.800 179.688 0.112 RESID 168 (A): CA 54.180 54.180 54.572 -0.392 RESID 168 (A): CB 18.750 18.750 18.404 0.346 RESID 168 (A): H 8.349 8.349 7.824 0.525 RESID 169 (S): N 113.400 113.400 114.299 -0.899 RESID 169 (S): C 175.700 175.700 176.240 -0.540 RESID 169 (S): CA 61.050 61.050 62.806 -1.756 RESID 169 (S): CB 63.050 63.050 62.522 0.528 RESID 169 (S): H 8.058 8.058 8.056 0.002 RESID 170 (E): N 115.600 115.600 120.248 -4.648 RESID 170 (E): C 178.800 178.800 177.283 1.517 RESID 170 (E): CA 57.610 57.610 58.177 -0.567 RESID 170 (E): CB 29.790 29.790 29.172 0.618 RESID 170 (E): H 8.824 8.824 7.897 0.927 RESID 171 (G): N 103.400 103.400 104.435 -1.035 RESID 171 (G): C 173.700 173.700 174.972 -1.272 RESID 171 (G): CA 44.970 44.970 45.205 -0.235 RESID 171 (G): H 8.154 8.154 7.362 0.792 RESID 172 (F): N 120.100 120.100 122.983 -2.883 RESID 172 (F): C 175.200 175.200 177.019 -1.819 RESID 172 (F): CA 60.690 60.690 61.278 -0.588 RESID 172 (F): CB 40.740 40.740 39.014 1.726 RESID 172 (F): H 7.297 7.297 8.239 -0.942 RESID 173 (L): N 117.800 117.800 117.163 0.637 RESID 173 (L): C 179.000 179.000 178.468 0.532 RESID 173 (L): CA 57.670 57.670 56.771 0.899 RESID 173 (L): CB 40.020 40.020 41.892 -1.872 RESID 173 (L): H 8.470 8.470 7.467 1.003 RESID 174 (K): N 114.600 114.600 117.276 -2.676 RESID 174 (K): C 176.900 176.900 176.170 0.730 RESID 174 (K): CA 56.450 56.450 57.272 -0.822 RESID 174 (K): CB 31.770 31.770 32.592 -0.822 RESID 174 (K): H 8.018 8.018 7.591 0.427 RESID 175 (Q): N 118.800 118.800 117.032 1.768 RESID 175 (Q): C 176.000 176.000 173.920 2.080 RESID 175 (Q): CA 52.510 52.510 52.223 0.287 RESID 175 (Q): CB 26.740 26.740 29.841 -3.101 RESID 175 (Q): H 7.151 7.151 7.242 -0.091 RESID 176 (P): C 179.300 179.300 177.308 1.992 RESID 176 (P): CA 66.100 66.100 65.417 0.683 RESID 176 (P): CB 30.720 30.720 31.520 -0.800 RESID 177 (V): N 112.300 112.300 117.331 -5.031 RESID 177 (V): C 175.900 175.900 177.900 -2.000 RESID 177 (V): CA 62.860 62.860 65.971 -3.111 RESID 177 (V): CB 30.660 30.660 30.572 0.088 RESID 177 (V): H 7.480 7.480 7.675 -0.195 RESID 178 (G): N 109.700 109.700 105.728 3.972 RESID 178 (G): C 175.000 175.000 174.786 0.214 RESID 178 (G): CA 44.080 44.080 46.178 -2.099 RESID 178 (G): H 7.173 7.173 7.899 -0.726 RESID 179 (K): N 120.900 120.900 119.159 1.741 RESID 179 (K): C 177.100 177.100 177.570 -0.470 RESID 179 (K): CA 58.360 58.360 58.453 -0.093 RESID 179 (K): CB 31.260 31.260 32.307 -1.047 RESID 179 (K): H 6.972 6.972 7.385 -0.413 RESID 180 (D): N 117.200 117.200 117.120 0.080 RESID 180 (D): C 173.900 173.900 175.855 -1.955 RESID 180 (D): CA 53.920 53.920 55.886 -1.966 RESID 180 (D): CB 39.690 39.690 41.291 -1.601 RESID 180 (D): H 8.036 8.036 7.435 0.601 RESID 181 (Y): N 120.500 120.500 114.985 5.515 RESID 181 (Y): C 172.300 172.300 173.485 -1.185 RESID 181 (Y): CA 57.890 57.890 57.740 0.150 RESID 181 (Y): CB 41.860 41.860 42.350 -0.490 RESID 181 (Y): H 7.768 7.768 7.431 0.337 RESID 182 (K): N 116.900 116.900 118.879 -1.979 RESID 182 (K): C 174.900 174.900 174.305 0.595 RESID 182 (K): CA 54.330 54.330 56.442 -2.112 RESID 182 (K): CB 35.610 35.610 33.314 2.296 RESID 182 (K): H 9.497 9.497 8.856 0.641 RESID 183 (F): N 117.900 117.900 122.226 -4.326 RESID 183 (F): C 177.800 177.800 175.039 2.761 RESID 183 (F): CA 56.780 56.780 58.099 -1.319 RESID 183 (F): CB 38.320 38.320 42.836 -4.516 RESID 183 (F): H 8.470 8.470 7.907 0.563 RESID 184 (G): N 113.700 113.700 109.412 4.288 RESID 184 (G): C 173.300 173.300 174.706 -1.406 RESID 184 (G): CA 46.900 46.900 45.022 1.878 RESID 184 (G): H 9.107 9.107 8.862 0.245 RESID 185 (G): N 111.000 111.000 110.195 0.805 RESID 185 (G): C 171.100 171.100 172.890 -1.790 RESID 185 (G): CA 44.530 44.530 45.571 -1.041 RESID 185 (G): H 7.702 7.702 8.489 -0.787 RESID 186 (P): C 175.500 175.500 176.196 -0.696 RESID 186 (P): CA 61.920 61.920 64.415 -2.495 RESID 186 (P): CB 32.640 32.640 31.871 0.769 RESID 187 (S): N 113.500 113.500 119.478 -5.978 RESID 187 (S): C 173.500 173.500 173.759 -0.259 RESID 187 (S): CA 57.930 57.930 57.382 0.548 RESID 187 (S): CB 63.260 63.260 65.832 -2.572 RESID 187 (S): H 8.452 8.452 8.360 0.092 RESID 188 (V): N 123.300 123.300 122.332 0.968 RESID 188 (V): C 173.900 173.900 173.746 0.154 RESID 188 (V): CA 61.800 61.800 61.735 0.065 RESID 188 (V): CB 32.680 32.680 34.241 -1.561 RESID 188 (V): H 9.080 9.080 7.957 1.123 RESID 189 (K): N 125.200 125.200 121.988 3.212 RESID 189 (K): C 176.700 176.700 174.087 2.613 RESID 189 (K): CA 54.680 54.680 56.257 -1.577 RESID 189 (K): CB 33.780 33.780 34.461 -0.681 RESID 189 (K): H 8.123 8.123 8.180 -0.057 RESID 190 (D): N 120.300 120.300 122.136 -1.836 RESID 190 (D): C 175.300 175.300 176.903 -1.603 RESID 190 (D): CA 55.610 55.610 53.499 2.111 RESID 190 (D): CB 42.620 42.620 40.446 2.174 RESID 190 (D): H 8.823 8.823 8.285 0.538 RESID 191 (E): N 129.100 129.100 126.647 2.453 RESID 191 (E): C 177.300 177.300 177.574 -0.274 RESID 191 (E): CA 59.310 59.310 58.495 0.815 RESID 191 (E): CB 28.420 28.420 29.514 -1.093 RESID 191 (E): H 9.239 9.239 8.848 0.391 RESID 192 (K): N 118.000 118.000 119.047 -1.047 RESID 192 (K): C 178.200 178.200 177.855 0.345 RESID 192 (K): CA 58.140 58.140 58.876 -0.736 RESID 192 (K): CB 31.690 31.690 32.168 -0.478 RESID 192 (K): H 7.918 7.918 8.750 -0.832 RESID 193 (L): N 118.200 118.200 117.771 0.429 RESID 193 (L): C 177.700 177.700 177.574 0.126 RESID 193 (L): CA 55.790 55.790 56.805 -1.015 RESID 193 (L): CB 42.330 42.330 42.072 0.259 RESID 193 (L): H 8.362 8.362 7.136 1.226 RESID 194 (F): N 116.800 116.800 113.312 3.488 RESID 194 (F): C 178.200 178.200 175.789 2.411 RESID 194 (F): CA 54.620 54.620 57.383 -2.763 RESID 194 (F): CB 37.390 37.390 39.949 -2.559 RESID 194 (F): H 8.036 8.036 7.289 0.747 RESID 195 (G): N 106.900 106.900 108.899 -1.999 RESID 195 (G): C 174.200 174.200 173.890 0.310 RESID 195 (G): CA 44.120 44.120 45.046 -0.926 RESID 195 (G): H 7.510 7.510 7.703 -0.193 RESID 196 (V): N 112.400 112.400 123.675 -11.275 RESID 196 (V): C 175.300 175.300 176.004 -0.704 RESID 196 (V): CA 60.720 60.720 64.236 -3.516 RESID 196 (V): CB 30.630 30.630 32.153 -1.523 RESID 196 (V): H 8.064 8.064 8.294 -0.230 RESID 197 (G): N 108.100 108.100 105.308 2.792 RESID 197 (G): C 172.300 172.300 172.010 0.290 RESID 197 (G): CA 43.210 43.210 45.276 -2.066 RESID 197 (G): H 7.788 7.788 7.247 0.541 RESID 198 (T): N 109.200 109.200 113.755 -4.555 RESID 198 (T): C 172.800 172.800 173.196 -0.396 RESID 198 (T): CA 59.090 59.090 59.324 -0.234 RESID 198 (T): CB 71.080 71.080 71.264 -0.184 RESID 198 (T): H 7.796 7.796 7.943 -0.147 RESID 199 (G): N 103.900 103.900 108.512 -4.612 RESID 199 (G): C 171.800 171.800 172.572 -0.772 RESID 199 (G): CA 43.840 43.840 45.353 -1.513 RESID 199 (G): H 7.928 7.928 7.834 0.094 RESID 200 (M): N 121.400 121.400 119.771 1.629 RESID 200 (M): C 176.200 176.200 176.017 0.183 RESID 200 (M): CA 55.260 55.260 55.134 0.126 RESID 200 (M): CB 33.390 33.390 35.216 -1.826 RESID 200 (M): H 7.971 7.971 8.423 -0.452 RESID 201 (G): N 112.200 112.200 110.658 1.542 RESID 201 (G): C 172.000 172.000 172.876 -0.876 RESID 201 (G): CA 44.540 44.540 44.434 0.106 RESID 201 (G): H 8.818 8.818 8.391 0.427 RESID 202 (L): N 124.700 124.700 125.062 -0.362 RESID 202 (L): C 176.000 176.000 175.977 0.023 RESID 202 (L): CA 53.740 53.740 52.865 0.875 RESID 202 (L): CB 46.010 46.010 45.808 0.202 RESID 202 (L): H 8.767 8.767 8.631 0.136 RESID 203 (R): N 121.600 121.600 120.215 1.385 RESID 203 (R): C 180.400 180.400 177.912 2.488 RESID 203 (R): CA 57.130 57.130 55.468 1.662 RESID 203 (R): CB 29.650 29.650 31.296 -1.646 RESID 203 (R): H 10.270 10.270 8.141 2.129 RESID 204 (K): N 123.200 123.200 124.440 -1.240 RESID 204 (K): C 178.200 178.200 177.660 0.540 RESID 204 (K): CA 59.570 59.570 59.668 -0.098 RESID 204 (K): CB 31.840 31.840 32.149 -0.309 RESID 204 (K): H 9.231 9.231 8.673 0.558 RESID 205 (E): N 113.800 113.800 117.144 -3.344 RESID 205 (E): C 177.700 177.700 177.919 -0.219 RESID 205 (E): CA 57.230 57.230 58.212 -0.982 RESID 205 (E): CB 27.770 27.770 28.904 -1.134 RESID 205 (E): H 9.026 9.026 8.217 0.809 RESID 206 (D): N 126.000 126.000 120.896 5.104 RESID 206 (D): C 177.300 177.300 176.503 0.797 RESID 206 (D): CA 53.710 53.710 53.656 0.054 RESID 206 (D): CB 37.530 37.530 38.684 -1.154 RESID 206 (D): H 7.253 7.253 8.058 -0.805 RESID 207 (N): N 120.100 120.100 120.447 -0.347 RESID 207 (N): C 176.900 176.900 177.008 -0.108 RESID 207 (N): CA 56.950 56.950 56.454 0.496 RESID 207 (N): CB 38.820 38.820 38.887 -0.067 RESID 207 (N): H 7.839 7.839 8.710 -0.871 RESID 208 (E): N 120.500 120.500 118.957 1.543 RESID 208 (E): C 179.900 179.900 178.468 1.432 RESID 208 (E): CA 59.870 59.870 58.962 0.908 RESID 208 (E): CB 27.630 27.630 29.449 -1.819 RESID 208 (E): H 8.776 8.776 8.336 0.440 RESID 209 (L): N 122.900 122.900 120.441 2.459 RESID 209 (L): C 177.100 177.100 178.207 -1.107 RESID 209 (L): CA 57.400 57.400 57.530 -0.130 RESID 209 (L): CB 40.660 40.660 41.823 -1.163 RESID 209 (L): H 8.366 8.366 7.860 0.506 RESID 210 (R): N 119.100 119.100 118.785 0.315 RESID 210 (R): C 177.400 177.400 178.182 -0.782 RESID 210 (R): CA 59.970 59.970 59.764 0.206 RESID 210 (R): CB 30.110 30.110 30.024 0.086 RESID 210 (R): H 7.582 7.582 8.335 -0.753 RESID 211 (E): N 116.200 116.200 119.245 -3.045 RESID 211 (E): C 179.800 179.800 178.526 1.274 RESID 211 (E): CA 59.150 59.150 59.263 -0.112 RESID 211 (E): CB 28.600 28.600 29.585 -0.986 RESID 211 (E): H 8.407 8.407 7.872 0.535 RESID 212 (A): N 123.500 123.500 122.675 0.825 RESID 212 (A): C 181.300 181.300 179.656 1.644 RESID 212 (A): CA 54.810 54.810 54.721 0.089 RESID 212 (A): CB 17.170 17.170 18.139 -0.969 RESID 212 (A): H 8.128 8.128 7.612 0.516 RESID 213 (L): N 121.200 121.200 119.587 1.613 RESID 213 (L): C 178.400 178.400 179.614 -1.214 RESID 213 (L): CA 57.710 57.710 58.181 -0.471 RESID 213 (L): CB 41.450 41.450 41.205 0.245 RESID 213 (L): H 8.364 8.364 8.075 0.289 RESID 214 (N): N 119.200 119.200 116.465 2.735 RESID 214 (N): C 179.700 179.700 177.833 1.867 RESID 214 (N): CA 55.260 55.260 55.875 -0.615 RESID 214 (N): CB 37.120 37.120 37.940 -0.820 RESID 214 (N): H 8.435 8.435 8.339 0.096 RESID 215 (K): N 123.800 123.800 121.351 2.449 RESID 215 (K): C 178.400 178.400 178.514 -0.114 RESID 215 (K): CA 59.090 59.090 59.413 -0.323 RESID 215 (K): CB 31.740 31.740 32.480 -0.740 RESID 215 (K): H 8.080 8.080 8.458 -0.378 RESID 216 (A): N 122.200 122.200 121.734 0.466 RESID 216 (A): C 179.500 179.500 179.501 -0.001 RESID 216 (A): CA 54.140 54.140 54.877 -0.737 RESID 216 (A): CB 18.700 18.700 18.254 0.446 RESID 216 (A): H 7.935 7.935 8.193 -0.258 RESID 217 (F): N 119.500 119.500 120.138 -0.638 RESID 217 (F): C 177.200 177.200 176.958 0.242 RESID 217 (F): CA 61.390 61.390 60.271 1.119 RESID 217 (F): CB 38.000 38.000 39.053 -1.054 RESID 217 (F): H 8.916 8.916 8.293 0.623 RESID 218 (A): N 121.300 121.300 121.192 0.108 RESID 218 (A): C 182.100 182.100 179.667 2.433 RESID 218 (A): CA 54.810 54.810 55.207 -0.397 RESID 218 (A): CB 16.650 16.650 17.979 -1.329 RESID 218 (A): H 7.956 7.956 8.173 -0.217 RESID 219 (E): N 120.000 120.000 119.022 0.978 RESID 219 (E): C 178.600 178.600 179.001 -0.401 RESID 219 (E): CA 59.040 59.040 59.297 -0.257 RESID 219 (E): CB 28.320 28.320 29.479 -1.159 RESID 219 (E): H 7.952 7.952 7.832 0.120 RESID 220 (M): N 120.900 120.900 118.160 2.740 RESID 220 (M): C 179.000 179.000 178.539 0.461 RESID 220 (M): CA 57.430 57.430 59.460 -2.030 RESID 220 (M): CB 32.620 32.620 32.458 0.162 RESID 220 (M): H 8.190 8.190 8.156 0.034 RESID 221 (R): N 119.200 119.200 118.428 0.772 RESID 221 (R): C 179.300 179.300 178.870 0.430 RESID 221 (R): CA 58.710 58.710 58.937 -0.227 RESID 221 (R): CB 27.480 27.480 29.845 -2.365 RESID 221 (R): H 7.762 7.762 7.532 0.230 RESID 222 (A): N 122.500 122.500 122.070 0.430 RESID 222 (A): C 179.300 179.300 178.931 0.369 RESID 222 (A): CA 54.180 54.180 54.626 -0.446 RESID 222 (A): CB 18.030 18.030 18.558 -0.528 RESID 222 (A): H 7.838 7.838 7.737 0.101 RESID 223 (D): N 115.100 115.100 114.620 0.480 RESID 223 (D): C 177.900 177.900 177.246 0.654 RESID 223 (D): CA 53.020 53.020 53.128 -0.108 RESID 223 (D): CB 39.570 39.570 40.479 -0.909 RESID 223 (D): H 8.091 8.091 7.960 0.131 RESID 224 (G): N 106.700 106.700 108.845 -2.145 RESID 224 (G): C 176.000 176.000 175.985 0.015 RESID 224 (G): CA 45.070 45.070 46.281 -1.210 RESID 224 (G): H 7.199 7.199 7.425 -0.226 RESID 225 (T): N 122.400 122.400 117.126 5.274 RESID 225 (T): C 175.700 175.700 175.249 0.451 RESID 225 (T): CA 67.610 67.610 67.866 -0.256 RESID 225 (T): CB 66.840 66.840 68.751 -1.911 RESID 225 (T): H 9.095 9.095 8.743 0.352 RESID 226 (Y): N 121.500 121.500 121.665 -0.165 RESID 226 (Y): C 176.000 176.000 176.905 -0.905 RESID 226 (Y): CA 62.530 62.530 62.249 0.281 RESID 226 (Y): CB 38.410 38.410 38.266 0.144 RESID 226 (Y): H 8.040 8.040 7.628 0.412 RESID 227 (E): N 118.200 118.200 118.646 -0.446 RESID 227 (E): C 178.200 178.200 178.690 -0.490 RESID 227 (E): CA 58.940 58.940 59.441 -0.501 RESID 227 (E): CB 28.810 28.810 29.113 -0.303 RESID 227 (E): H 8.153 8.153 8.584 -0.431 RESID 228 (K): N 119.100 119.100 120.510 -1.410 RESID 228 (K): C 179.500 179.500 179.095 0.405 RESID 228 (K): CA 59.260 59.260 59.516 -0.256 RESID 228 (K): CB 31.520 31.520 32.438 -0.918 RESID 228 (K): H 7.558 7.558 8.345 -0.787 RESID 229 (L): N 119.100 119.100 119.361 -0.261 RESID 229 (L): C 179.300 179.300 178.865 0.435 RESID 229 (L): CA 56.970 56.970 57.761 -0.791 RESID 229 (L): CB 41.520 41.520 41.750 -0.230 RESID 229 (L): H 8.055 8.055 8.162 -0.107 RESID 230 (A): N 121.200 121.200 122.043 -0.843 RESID 230 (A): C 180.500 180.500 179.254 1.246 RESID 230 (A): CA 54.890 54.890 55.454 -0.564 RESID 230 (A): CB 17.570 17.570 17.717 -0.147 RESID 230 (A): H 8.901 8.901 8.269 0.632 RESID 231 (K): N 117.200 117.200 118.097 -0.897 RESID 231 (K): C 177.700 177.700 178.245 -0.545 RESID 231 (K): CA 57.370 57.370 58.829 -1.459 RESID 231 (K): CB 31.330 31.330 32.397 -1.067 RESID 231 (K): H 8.062 8.062 8.124 -0.062 RESID 232 (K): N 117.600 117.600 116.901 0.699 RESID 232 (K): C 176.800 176.800 179.340 -2.540 RESID 232 (K): CA 57.890 57.890 58.821 -0.931 RESID 232 (K): CB 31.150 31.150 32.773 -1.623 RESID 232 (K): H 7.053 7.053 7.591 -0.538 RESID 233 (Y): N 114.000 114.000 117.121 -3.121 RESID 233 (Y): C 175.100 175.100 175.743 -0.643 RESID 233 (Y): CA 58.110 58.110 61.323 -3.213 RESID 233 (Y): CB 39.360 39.360 39.026 0.334 RESID 233 (Y): H 7.013 7.013 8.229 -1.216 RESID 234 (F): N 116.400 116.400 113.453 2.947 RESID 234 (F): C 175.800 175.800 173.453 2.347 RESID 234 (F): CA 54.920 54.920 56.712 -1.792 RESID 234 (F): CB 41.260 41.260 42.818 -1.558 RESID 234 (F): H 8.038 8.038 8.179 -0.141 RESID 235 (D): N 123.000 123.000 121.089 1.911 RESID 235 (D): C 174.500 174.500 174.843 -0.343 RESID 235 (D): CA 52.680 52.680 53.265 -0.585 RESID 235 (D): CB 39.860 39.860 39.412 0.448 RESID 235 (D): H 8.879 8.879 8.569 0.310 RESID 236 (F): N 115.500 115.500 120.762 -5.262 RESID 236 (F): C 173.600 173.600 173.731 -0.131 RESID 236 (F): CA 53.950 53.950 56.647 -2.697 RESID 236 (F): CB 39.860 39.860 39.709 0.151 RESID 236 (F): H 6.793 6.793 7.453 -0.660 RESID 237 (D): N 119.700 119.700 121.960 -2.260 RESID 237 (D): C 175.800 175.800 177.093 -1.293 RESID 237 (D): CA 52.980 52.980 52.624 0.356 RESID 237 (D): CB 39.210 39.210 41.719 -2.510 RESID 237 (D): H 8.831 8.831 8.604 0.227 RESID 238 (V): N 129.900 129.900 122.376 7.524 RESID 238 (V): C 175.200 175.200 176.728 -1.528 RESID 238 (V): CA 61.840 61.840 65.085 -3.245 RESID 238 (V): CB 32.500 32.500 31.880 0.620 RESID 238 (V): H 7.376 7.376 8.332 -0.956 RESID 239 (Y): N 123.500 123.500 119.032 4.468 RESID 239 (Y): C 176.500 176.500 178.531 -2.031 RESID 239 (Y): CA 61.920 61.920 61.152 0.768 RESID 239 (Y): CB 38.010 38.010 37.656 0.354 RESID 239 (Y): H 8.314 8.314 7.920 0.394 RESID 240 (G): N 104.100 104.100 104.507 -0.407 RESID 240 (G): C 174.600 174.600 174.866 -0.266 RESID 240 (G): CA 45.930 45.930 45.321 0.609 RESID 240 (G): H 7.428 7.428 8.389 -0.961 N HA C CA CB H RESID 6 (P): ----- ----- -1.422 -0.812 -0.478 ----- RESID 7 (Q): -0.830 ----- -0.013 -0.972 -0.562 -0.260 RESID 8 (N): 1.708 ----- -0.506 -0.569 -0.980 -0.335 RESID 9 (I): -1.730 ----- -0.210 -0.600 -0.536 -0.722 RESID 10 (R): -0.573 ----- 0.331 -1.461 -0.635 0.443 RESID 11 (I): 2.716 ----- 0.512 0.134 -4.373 0.209 RESID 12 (G): 0.835 ----- -1.305 0.245 ----- 0.886 RESID 13 (T): -1.283 ----- 8.371 -0.326 -1.833 0.733 RESID 14 (D): -0.552 ----- 2.947 -0.367 -1.409 -0.406 RESID 15 (P): ----- ----- -1.089 -1.353 -4.528 ----- RESID 16 (T): 5.352 ----- 0.596 -2.534 -1.102 0.443 RESID 17 (Y): 3.872 ----- -0.399 -2.006 0.131 0.861 RESID 18 (A): 2.438 ----- -0.489 -4.601 -0.230 0.013 RESID 19 (P): ----- ----- -4.133 -2.388 0.140 ----- RESID 20 (F): 6.975 ----- 1.476 2.640 -3.262 -0.207 RESID 21 (E): -2.627 ----- -0.858 -1.066 -5.392 -0.932 RESID 22 (S): 4.188 ----- -0.806 -1.285 -1.165 0.423 RESID 23 (K): -2.006 ----- 2.550 -1.621 -1.713 -0.012 RESID 24 (N): 1.372 ----- 0.949 -1.506 -1.887 -0.122 RESID 25 (S): ----- ----- 0.010 0.025 -0.134 ----- RESID 26 (Q): -0.213 ----- -0.565 -0.371 -0.451 -0.327 RESID 27 (G): 1.095 ----- -0.392 -0.019 ----- 0.280 RESID 28 (E): 0.480 ----- 0.230 -1.379 -0.918 -0.215 RESID 29 (L): 2.643 ----- 1.201 0.486 -1.948 0.021 RESID 30 (V): -4.015 ----- 1.779 -1.690 0.193 1.242 RESID 31 (G): -0.449 ----- 0.971 -1.510 ----- 0.940 RESID 32 (F): -2.759 ----- 1.801 -0.901 -0.460 -0.118 RESID 33 (D): -2.709 ----- 1.039 -0.596 -1.801 1.594 RESID 34 (I): -0.862 ----- 0.275 -3.862 -4.178 -1.269 RESID 35 (D): 1.404 ----- 1.916 -0.347 0.114 0.606 RESID 36 (L): -0.446 ----- 0.515 -0.036 0.664 1.312 RESID 37 (A): -1.613 ----- -0.911 -0.163 -1.112 0.709 RESID 38 (K): -2.837 ----- 0.947 0.423 -0.484 0.653 RESID 39 (E): 2.144 ----- -1.064 -0.884 -1.506 -0.079 RESID 40 (L): 0.989 ----- -0.142 0.158 -1.507 0.630 RESID 41 (C): -2.633 ----- -1.678 -0.344 21.421 -0.164 RESID 42 (K): -0.373 ----- 1.667 -0.644 -0.920 -0.613 RESID 43 (R): 1.487 ----- 0.031 0.300 -0.227 0.472 RESID 44 (I): -5.766 ----- -0.841 -2.169 -1.566 -0.653 RESID 45 (N): 3.154 ----- -0.336 -0.952 0.716 -0.326 RESID 46 (T): 7.117 ----- 0.268 -0.261 -1.357 -0.025 RESID 47 (Q): 3.520 ----- 0.820 -0.545 -1.854 -0.306 RESID 48 (C): -0.444 ----- -0.607 -4.708 17.811 0.209 RESID 49 (T): -1.943 ----- 0.135 -1.050 0.024 -0.480 RESID 50 (F): -2.250 ----- -0.134 0.006 0.442 0.349 RESID 51 (V): 2.630 ----- -0.014 -0.022 -1.728 0.295 RESID 52 (E): -2.119 ----- 1.795 -3.065 -1.013 -0.170 RESID 53 (N): 7.418 ----- -2.093 0.147 5.284 0.726 RESID 54 (P): ----- ----- -0.170 -0.694 -1.469 ----- RESID 55 (L): -0.121 ----- 0.879 -1.049 0.041 0.311 RESID 56 (D): -3.625 ----- -0.830 -0.771 -0.542 0.123 RESID 57 (A): 0.442 ----- 1.046 -2.206 -0.457 -0.262 RESID 58 (L): 1.148 ----- -0.967 0.866 -1.772 -0.256 RESID 59 (I): 0.105 ----- 1.268 1.600 -0.720 1.372 RESID 60 (P): ----- ----- 0.879 -0.648 -1.272 ----- RESID 61 (S): -0.110 ----- -1.183 0.260 ----- -0.402 RESID 62 (L): 3.104 ----- 2.017 -0.315 0.039 0.161 RESID 63 (K): 1.888 ----- 0.087 0.322 -1.725 0.661 RESID 64 (A): 0.029 ----- -0.471 -0.302 -0.456 -0.255 RESID 65 (K): -1.834 ----- -0.458 -0.176 -2.173 0.080 RESID 66 (K): 2.887 ----- -0.539 -1.245 -0.837 0.605 RESID 67 (I): -5.018 ----- -1.398 0.013 -0.570 -0.230 RESID 68 (D): -2.978 ----- -3.599 0.122 1.680 1.187 RESID 69 (A): -0.478 ----- 1.043 -1.049 -0.123 -0.009 RESID 70 (I): -0.128 ----- 0.039 -0.582 0.197 1.350 RESID 71 (M): -1.233 ----- -1.315 -1.936 -0.691 0.207 RESID 72 (S): 2.848 ----- -1.045 1.012 -0.942 0.122 RESID 73 (S): 4.193 ----- -0.102 -1.320 -0.168 -0.092 RESID 74 (L): -3.348 ----- -0.524 -1.119 -0.257 0.953 RESID 75 (S): 1.946 ----- 0.814 2.172 -1.653 0.206 RESID 76 (I): 9.133 ----- 1.044 1.634 -3.827 -0.033 RESID 77 (T): 2.925 ----- -0.278 -2.208 -0.738 -1.033 RESID 78 (E): -0.378 ----- 1.551 -1.691 -0.547 0.027 RESID 79 (K): 0.062 ----- 1.574 -0.316 -0.688 0.048 RESID 80 (R): -0.316 ----- 0.133 0.362 0.309 0.280 RESID 81 (Q): -0.683 ----- -2.030 -1.467 0.303 0.164 RESID 82 (Q): -2.078 ----- -0.579 -1.056 -0.579 -0.626 RESID 83 (E): -2.092 ----- -0.918 -1.423 1.905 -0.308 RESID 84 (I): 3.280 ----- -1.333 0.447 -0.644 0.293 RESID 85 (A): 0.233 ----- -0.200 -1.086 0.786 0.241 RESID 86 (F): -3.411 ----- 2.933 -0.910 0.242 -0.319 RESID 87 (T): -6.609 ----- 0.886 0.797 2.683 -0.402 RESID 88 (D): -2.185 ----- -1.423 -0.759 1.043 -0.029 RESID 89 (K): 1.409 ----- -0.540 -1.687 0.342 -0.053 RESID 90 (L): -2.591 ----- 0.214 -2.571 -1.389 0.197 RESID 91 (Y): 0.521 ----- -1.113 0.517 -2.835 -0.348 RESID 92 (A): 0.774 ----- -1.097 0.851 0.653 -0.931 RESID 93 (A): -0.566 ----- -0.885 0.441 -0.097 0.324 RESID 94 (D): 1.294 ----- -0.801 -1.093 -0.258 0.757 RESID 95 (S): -1.912 ----- -1.452 0.511 -0.066 -1.042 RESID 96 (R): 4.660 ----- -0.129 1.596 -0.301 0.464 RESID 97 (L): -0.907 ----- 1.663 0.415 -1.815 1.330 RESID 98 (V): 0.962 ----- 0.775 0.891 0.337 1.508 RESID 99 (V): -5.276 ----- 0.662 -0.854 0.912 1.185 RESID 100 (A): 0.943 ----- 0.671 2.107 -1.684 0.688 RESID 101 (K): -3.979 ----- -0.202 0.394 -0.516 -1.070 RESID 102 (N): -1.240 ----- 0.265 -2.256 -1.570 -0.242 RESID 103 (S): 0.072 ----- 2.713 0.715 0.396 0.114 RESID 104 (D): -0.754 ----- 1.535 -1.017 -0.543 0.010 RESID 105 (I): -1.914 ----- -0.803 3.009 -3.038 -0.366 RESID 106 (Q): -0.392 ----- 0.890 -0.693 1.135 -0.325 RESID 107 (P): ----- ----- -0.493 -1.783 -4.176 ----- RESID 108 (T): -3.135 ----- -0.385 -3.913 -0.966 0.873 RESID 109 (V): -1.389 ----- 0.364 0.853 -2.198 0.295 RESID 110 (E): -3.933 ----- -0.267 -0.859 -0.879 0.031 RESID 111 (S): -0.208 ----- 0.597 -1.617 1.232 -1.063 RESID 112 (L): -4.280 ----- 0.014 -0.746 0.087 0.347 RESID 113 (K): 1.750 ----- 0.689 0.632 -1.399 -0.301 RESID 114 (G): 0.938 ----- -0.595 -0.129 ----- 0.093 RESID 115 (K): -1.119 ----- -1.337 -1.057 -1.264 0.664 RESID 116 (R): -1.658 ----- 0.342 -1.058 0.680 1.047 RESID 117 (V): 2.835 ----- 0.557 -0.084 -2.293 0.663 RESID 118 (G): 0.612 ----- -0.284 1.459 ----- 1.343 RESID 119 (V): -5.990 ----- 0.041 -2.182 -0.611 -0.142 RESID 120 (L): 0.227 ----- 1.236 -0.283 -1.449 0.126 RESID 121 (Q): 0.861 ----- -0.330 -0.441 -1.615 0.299 RESID 122 (G): -0.163 ----- 1.524 -0.235 ----- 0.706 RESID 123 (T): -1.829 ----- 2.346 0.269 2.870 -0.527 RESID 124 (T): 1.109 ----- 1.577 -0.845 -0.987 0.277 RESID 125 (Q): -1.714 ----- 0.150 1.974 -2.721 -0.761 RESID 126 (E): 2.125 ----- -1.311 -0.193 -0.912 -0.080 RESID 127 (T): 1.535 ----- -0.199 -0.479 -1.137 0.543 RESID 128 (F): -0.062 ----- 0.444 0.858 -0.102 0.225 RESID 129 (G): -0.101 ----- -0.384 -0.529 ----- -0.250 RESID 130 (N): 4.571 ----- 0.373 0.064 -0.626 0.371 RESID 131 (E): 2.283 ----- 0.810 1.234 -1.416 0.423 RESID 132 (H): -6.020 ----- 0.359 -1.862 0.695 0.002 RESID 133 (W): 1.867 ----- 0.621 -0.971 0.643 0.168 RESID 134 (A): 0.761 ----- 0.483 0.793 -0.825 1.178 RESID 135 (P): ----- ----- -0.167 0.325 -0.187 ----- RESID 136 (K): -0.418 ----- -1.129 -2.399 -0.616 -0.455 RESID 137 (G): -2.252 ----- 0.788 0.371 ----- 0.195 RESID 138 (I): 5.031 ----- -0.405 0.359 -1.761 -0.589 RESID 139 (E): 1.096 ----- -1.205 0.426 -1.732 -0.111 RESID 140 (I): 7.878 ----- 1.326 -1.930 -6.175 0.290 RESID 141 (V): 7.800 ----- -0.121 -0.088 -3.795 0.498 RESID 142 (S): 2.785 ----- 1.468 0.304 0.018 0.096 RESID 143 (Y): -2.786 ----- -0.467 -0.424 0.961 -0.278 RESID 144 (Q): -0.583 ----- 1.101 0.605 -1.404 0.233 RESID 145 (G): -0.579 ----- -0.667 -0.036 ----- -0.336 RESID 146 (Q): 1.395 ----- -0.144 -0.986 -0.449 0.088 RESID 147 (D): -0.533 ----- 0.422 -0.209 -0.855 -0.040 RESID 148 (N): -0.252 ----- -0.615 -0.449 0.596 -1.065 RESID 149 (I): 0.135 ----- -0.131 -0.616 -1.674 -0.304 RESID 150 (Y): -0.816 ----- 0.745 -1.946 -1.673 -0.496 RESID 151 (S): 2.067 ----- -0.021 -0.388 -0.127 -0.058 RESID 152 (D): -0.877 ----- 0.676 -0.282 -2.154 -0.187 RESID 153 (L): 2.909 ----- 1.783 0.624 -0.194 0.495 RESID 154 (T): -1.672 ----- 1.327 -1.468 -0.312 0.077 RESID 155 (A): 1.702 ----- 0.159 -0.668 -0.377 0.382 RESID 156 (G): 0.714 ----- -0.272 0.238 ----- -0.090 RESID 157 (R): -0.224 ----- 0.865 -0.360 -0.364 0.336 RESID 158 (I): -3.909 ----- -0.583 0.690 -0.997 -0.008 RESID 159 (D): -4.742 ----- -0.972 -0.452 1.912 0.258 RESID 160 (A): 0.001 ----- 0.569 -1.273 1.620 0.529 RESID 161 (A): 1.626 ----- -0.167 -0.463 -0.534 0.916 RESID 162 (F): 2.699 ----- -2.053 -3.684 0.539 0.616 RESID 163 (Q): 1.259 ----- -0.288 -0.093 1.234 -0.424 RESID 164 (D): 0.952 ----- -1.441 1.084 0.325 -0.134 RESID 165 (E): 5.729 ----- -0.425 0.102 0.207 -0.150 RESID 166 (V): 1.276 ----- 1.013 0.068 -0.220 0.529 RESID 167 (A): 2.977 ----- 3.390 0.272 -0.109 0.724 RESID 168 (A): -0.793 ----- 0.112 -0.392 0.346 0.525 RESID 169 (S): -0.899 ----- -0.540 -1.756 0.528 0.002 RESID 170 (E): -4.648 ----- 1.517 -0.567 0.618 0.927 RESID 171 (G): -1.035 ----- -1.272 -0.235 ----- 0.792 RESID 172 (F): -2.883 ----- -1.819 -0.588 1.726 -0.942 RESID 173 (L): 0.637 ----- 0.532 0.899 -1.872 1.003 RESID 174 (K): -2.676 ----- 0.730 -0.822 -0.822 0.427 RESID 175 (Q): 1.768 ----- 2.080 0.287 -3.101 -0.091 RESID 176 (P): ----- ----- 1.992 0.683 -0.800 ----- RESID 177 (V): -5.031 ----- -2.000 -3.111 0.088 -0.195 RESID 178 (G): 3.972 ----- 0.214 -2.099 ----- -0.726 RESID 179 (K): 1.741 ----- -0.470 -0.093 -1.047 -0.413 RESID 180 (D): 0.080 ----- -1.955 -1.966 -1.601 0.601 RESID 181 (Y): 5.515 ----- -1.185 0.150 -0.490 0.337 RESID 182 (K): -1.979 ----- 0.595 -2.112 2.296 0.641 RESID 183 (F): -4.326 ----- 2.761 -1.319 -4.516 0.563 RESID 184 (G): 4.288 ----- -1.406 1.878 ----- 0.245 RESID 185 (G): 0.805 ----- -1.790 -1.041 ----- -0.787 RESID 186 (P): ----- ----- -0.696 -2.495 0.769 ----- RESID 187 (S): -5.978 ----- -0.259 0.548 -2.572 0.092 RESID 188 (V): 0.968 ----- 0.154 0.065 -1.561 1.123 RESID 189 (K): 3.212 ----- 2.613 -1.577 -0.681 -0.057 RESID 190 (D): -1.836 ----- -1.603 2.111 2.174 0.538 RESID 191 (E): 2.453 ----- -0.274 0.815 -1.093 0.391 RESID 192 (K): -1.047 ----- 0.345 -0.736 -0.478 -0.832 RESID 193 (L): 0.429 ----- 0.126 -1.015 0.259 1.226 RESID 194 (F): 3.488 ----- 2.411 -2.763 -2.559 0.747 RESID 195 (G): -1.999 ----- 0.310 -0.926 ----- -0.193 RESID 196 (V): -11.275 ----- -0.704 -3.516 -1.523 -0.230 RESID 197 (G): 2.792 ----- 0.290 -2.066 ----- 0.541 RESID 198 (T): -4.555 ----- -0.396 -0.234 -0.184 -0.147 RESID 199 (G): -4.612 ----- -0.772 -1.513 ----- 0.094 RESID 200 (M): 1.629 ----- 0.183 0.126 -1.826 -0.452 RESID 201 (G): 1.542 ----- -0.876 0.106 ----- 0.427 RESID 202 (L): -0.362 ----- 0.023 0.875 0.202 0.136 RESID 203 (R): 1.385 ----- 2.488 1.662 -1.646 2.129 RESID 204 (K): -1.240 ----- 0.540 -0.098 -0.309 0.558 RESID 205 (E): -3.344 ----- -0.219 -0.982 -1.134 0.809 RESID 206 (D): 5.104 ----- 0.797 0.054 -1.154 -0.805 RESID 207 (N): -0.347 ----- -0.108 0.496 -0.067 -0.871 RESID 208 (E): 1.543 ----- 1.432 0.908 -1.819 0.440 RESID 209 (L): 2.459 ----- -1.107 -0.130 -1.163 0.506 RESID 210 (R): 0.315 ----- -0.782 0.206 0.086 -0.753 RESID 211 (E): -3.045 ----- 1.274 -0.112 -0.986 0.535 RESID 212 (A): 0.825 ----- 1.644 0.089 -0.969 0.516 RESID 213 (L): 1.613 ----- -1.214 -0.471 0.245 0.289 RESID 214 (N): 2.735 ----- 1.867 -0.615 -0.820 0.096 RESID 215 (K): 2.449 ----- -0.114 -0.323 -0.740 -0.378 RESID 216 (A): 0.466 ----- -0.001 -0.737 0.446 -0.258 RESID 217 (F): -0.638 ----- 0.242 1.119 -1.054 0.623 RESID 218 (A): 0.108 ----- 2.433 -0.397 -1.329 -0.217 RESID 219 (E): 0.978 ----- -0.401 -0.257 -1.159 0.120 RESID 220 (M): 2.740 ----- 0.461 -2.030 0.162 0.034 RESID 221 (R): 0.772 ----- 0.430 -0.227 -2.365 0.230 RESID 222 (A): 0.430 ----- 0.369 -0.446 -0.528 0.101 RESID 223 (D): 0.480 ----- 0.654 -0.108 -0.909 0.131 RESID 224 (G): -2.145 ----- 0.015 -1.210 ----- -0.226 RESID 225 (T): 5.274 ----- 0.451 -0.256 -1.911 0.352 RESID 226 (Y): -0.165 ----- -0.905 0.281 0.144 0.412 RESID 227 (E): -0.446 ----- -0.490 -0.501 -0.303 -0.431 RESID 228 (K): -1.410 ----- 0.405 -0.256 -0.918 -0.787 RESID 229 (L): -0.261 ----- 0.435 -0.791 -0.230 -0.107 RESID 230 (A): -0.843 ----- 1.246 -0.564 -0.147 0.632 RESID 231 (K): -0.897 ----- -0.545 -1.459 -1.067 -0.062 RESID 232 (K): 0.699 ----- -2.540 -0.931 -1.623 -0.538 RESID 233 (Y): -3.121 ----- -0.643 -3.213 0.334 -1.216 RESID 234 (F): 2.947 ----- 2.347 -1.792 -1.558 -0.141 RESID 235 (D): 1.911 ----- -0.343 -0.585 0.448 0.310 RESID 236 (F): -5.262 ----- -0.131 -2.697 0.151 -0.660 RESID 237 (D): -2.260 ----- -1.293 0.356 -2.510 0.227 RESID 238 (V): 7.524 ----- -1.528 -3.245 0.620 -0.956 RESID 239 (Y): 4.468 ----- -2.031 0.768 0.354 0.394 RESID 240 (G): -0.407 ----- -0.266 0.609 ----- -0.961 DATA CS_STAT_INFO N RMS: 2.906 ppm Count: 226 Average Difference: -0.143 +/- 2.909 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.286 ppm Count: 236 Average Difference: -0.116 +/- 1.283 ppm DATA CS_STAT_INFO CA RMS: 1.337 ppm Count: 236 Average Difference: 0.535 +/- 1.228 ppm DATA CS_STAT_INFO CB RMS: 2.455 ppm Count: 215 Average Difference: 0.519 +/- 2.405 ppm DATA CS_STAT_INFO HN RMS: 0.593 ppm Count: 226 Average Difference: -0.118 +/- 0.583 ppm ############################################################################ For conformer 6: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.189 0.111 RESID 5 (I): C 174.300 174.300 174.342 -0.042 RESID 5 (I): CA 57.710 57.710 59.821 -2.111 RESID 5 (I): CB 37.260 37.260 37.761 -0.501 RESID 5 (I): H 7.868 7.868 8.231 -0.363 RESID 6 (P): C 176.100 176.100 176.806 -0.706 RESID 6 (P): CA 62.180 62.180 62.800 -0.620 RESID 6 (P): CB 31.620 31.620 32.348 -0.728 RESID 7 (Q): N 119.200 119.200 119.528 -0.328 RESID 7 (Q): C 175.600 175.600 176.054 -0.454 RESID 7 (Q): CA 57.190 57.190 57.843 -0.653 RESID 7 (Q): CB 28.500 28.500 29.148 -0.648 RESID 7 (Q): H 8.380 8.380 8.685 -0.305 RESID 8 (N): N 116.300 116.300 114.304 1.996 RESID 8 (N): C 173.600 173.600 173.875 -0.275 RESID 8 (N): CA 51.720 51.720 52.362 -0.642 RESID 8 (N): CB 40.540 40.540 41.984 -1.444 RESID 8 (N): H 7.472 7.472 7.828 -0.356 RESID 9 (I): N 121.000 121.000 122.525 -1.525 RESID 9 (I): C 174.700 174.700 174.859 -0.159 RESID 9 (I): CA 59.480 59.480 60.085 -0.605 RESID 9 (I): CB 39.740 39.740 40.273 -0.533 RESID 9 (I): H 8.416 8.416 9.152 -0.736 RESID 10 (R): N 126.500 126.500 127.406 -0.906 RESID 10 (R): C 175.800 175.800 175.037 0.763 RESID 10 (R): CA 53.950 53.950 55.408 -1.458 RESID 10 (R): CB 30.670 30.670 31.358 -0.688 RESID 10 (R): H 9.098 9.098 8.178 0.920 RESID 11 (I): N 127.500 127.500 124.135 3.365 RESID 11 (I): C 175.600 175.600 175.284 0.316 RESID 11 (I): CA 59.480 59.480 59.218 0.262 RESID 11 (I): CB 37.460 37.460 41.593 -4.133 RESID 11 (I): H 9.279 9.279 9.018 0.262 RESID 12 (G): N 114.800 114.800 114.387 0.413 RESID 12 (G): C 171.700 171.700 173.184 -1.484 RESID 12 (G): CA 44.540 44.540 44.316 0.224 RESID 12 (G): H 9.382 9.382 8.504 0.878 RESID 13 (T): N 120.600 120.600 122.156 -1.556 RESID 13 (T): C 181.600 181.600 173.254 8.346 RESID 13 (T): CA 61.470 61.470 61.809 -0.340 RESID 13 (T): CB 69.970 69.970 71.532 -1.562 RESID 13 (T): H 8.594 8.594 7.818 0.776 RESID 14 (D): N 127.000 127.000 127.708 -0.708 RESID 14 (D): C 177.500 177.500 174.591 2.909 RESID 14 (D): CA 49.760 49.760 50.181 -0.421 RESID 14 (D): CB 40.580 40.580 41.985 -1.405 RESID 14 (D): H 8.200 8.200 8.629 -0.429 RESID 15 (P): C 175.400 175.400 176.412 -1.012 RESID 15 (P): CA 61.920 61.920 63.337 -1.417 RESID 15 (P): CB 27.890 27.890 32.390 -4.500 RESID 16 (T): N 116.200 116.200 110.751 5.449 RESID 16 (T): C 174.000 174.000 173.274 0.726 RESID 16 (T): CA 59.560 59.560 62.022 -2.462 RESID 16 (T): CB 68.650 68.650 69.822 -1.172 RESID 16 (T): H 8.739 8.739 8.266 0.473 RESID 17 (Y): N 125.800 125.800 121.851 3.949 RESID 17 (Y): C 175.200 175.200 175.636 -0.436 RESID 17 (Y): CA 54.180 54.180 56.126 -1.946 RESID 17 (Y): CB 38.700 38.700 38.516 0.184 RESID 17 (Y): H 8.943 8.943 8.045 0.898 RESID 18 (A): N 132.100 132.100 129.696 2.404 RESID 18 (A): C 176.000 176.000 176.464 -0.464 RESID 18 (A): CA 51.490 51.490 56.069 -4.579 RESID 18 (A): CB 16.070 16.070 16.263 -0.193 RESID 18 (A): H 8.945 8.945 8.926 0.019 RESID 19 (P): C 173.500 173.500 177.815 -4.315 RESID 19 (P): CA 62.890 62.890 65.230 -2.340 RESID 19 (P): CB 31.790 31.790 31.603 0.187 RESID 20 (F): N 125.100 125.100 117.331 7.769 RESID 20 (F): C 176.700 176.700 175.464 1.236 RESID 20 (F): CA 62.420 62.420 59.500 2.920 RESID 20 (F): CB 37.980 37.980 41.070 -3.090 RESID 20 (F): H 8.117 8.117 8.287 -0.170 RESID 21 (E): N 111.800 111.800 114.478 -2.678 RESID 21 (E): C 173.600 173.600 174.357 -0.757 RESID 21 (E): CA 54.400 54.400 55.494 -1.094 RESID 21 (E): CB 28.770 28.770 34.002 -5.232 RESID 21 (E): H 7.701 7.701 8.497 -0.796 RESID 22 (S): N 117.200 117.200 113.070 4.130 RESID 22 (S): C 171.500 171.500 172.282 -0.782 RESID 22 (S): CA 57.290 57.290 58.575 -1.285 RESID 22 (S): CB 62.940 62.940 64.144 -1.204 RESID 22 (S): H 8.750 8.750 8.302 0.448 RESID 23 (K): N 117.400 117.400 119.556 -2.156 RESID 23 (K): C 177.600 177.600 175.066 2.534 RESID 23 (K): CA 53.700 53.700 55.365 -1.665 RESID 23 (K): CB 33.330 33.330 35.059 -1.729 RESID 23 (K): H 8.238 8.238 8.256 -0.018 RESID 24 (N): N 122.400 122.400 121.342 1.058 RESID 24 (N): C 178.000 178.000 177.060 0.940 RESID 24 (N): CA 50.600 50.600 52.101 -1.501 RESID 24 (N): CB 38.140 38.140 40.012 -1.872 RESID 24 (N): H 8.584 8.584 8.636 -0.052 RESID 25 (S): C 175.400 175.400 175.371 0.029 RESID 25 (S): CA 60.970 60.970 60.980 -0.010 RESID 25 (S): CB 62.410 62.410 62.579 -0.169 RESID 26 (Q): N 119.300 119.300 119.478 -0.178 RESID 26 (Q): C 176.200 176.200 176.750 -0.550 RESID 26 (Q): CA 55.180 55.180 55.558 -0.378 RESID 26 (Q): CB 28.260 28.260 28.731 -0.471 RESID 26 (Q): H 7.520 7.520 7.864 -0.344 RESID 27 (G): N 108.800 108.800 107.602 1.198 RESID 27 (G): C 173.700 173.700 173.983 -0.283 RESID 27 (G): CA 45.050 45.050 44.988 0.062 RESID 27 (G): H 8.169 8.169 7.801 0.368 RESID 28 (E): N 121.200 121.200 119.609 1.591 RESID 28 (E): C 175.800 175.800 175.550 0.250 RESID 28 (E): CA 54.490 54.490 55.874 -1.384 RESID 28 (E): CB 29.750 29.750 30.701 -0.951 RESID 28 (E): H 7.836 7.836 8.141 -0.305 RESID 29 (L): N 123.500 123.500 121.096 2.404 RESID 29 (L): C 176.400 176.400 175.989 0.411 RESID 29 (L): CA 54.310 54.310 53.844 0.466 RESID 29 (L): CB 41.180 41.180 43.238 -2.058 RESID 29 (L): H 8.281 8.281 8.280 0.001 RESID 30 (V): N 118.200 118.200 121.964 -3.764 RESID 30 (V): C 175.300 175.300 173.649 1.651 RESID 30 (V): CA 58.360 58.360 60.121 -1.761 RESID 30 (V): CB 36.080 36.080 36.198 -0.118 RESID 30 (V): H 8.900 8.900 7.831 1.069 RESID 31 (G): N 109.800 109.800 109.796 0.004 RESID 31 (G): C 174.400 174.400 173.491 0.909 RESID 31 (G): CA 43.830 43.830 45.154 -1.324 RESID 31 (G): H 8.611 8.611 7.426 1.185 RESID 32 (F): N 119.900 119.900 122.501 -2.601 RESID 32 (F): C 177.900 177.900 175.892 2.008 RESID 32 (F): CA 59.800 59.800 60.582 -0.782 RESID 32 (F): CB 38.950 38.950 39.292 -0.342 RESID 32 (F): H 8.295 8.295 8.099 0.196 RESID 33 (D): N 116.500 116.500 119.094 -2.594 RESID 33 (D): C 179.100 179.100 178.037 1.063 RESID 33 (D): CA 56.180 56.180 56.586 -0.406 RESID 33 (D): CB 38.610 38.610 40.270 -1.660 RESID 33 (D): H 8.935 8.935 7.367 1.568 RESID 34 (I): N 118.800 118.800 119.663 -0.863 RESID 34 (I): C 178.000 178.000 177.730 0.270 RESID 34 (I): CA 60.950 60.950 64.722 -3.772 RESID 34 (I): CB 33.620 33.620 37.819 -4.199 RESID 34 (I): H 6.535 6.535 7.724 -1.189 RESID 35 (D): N 121.000 121.000 120.399 0.601 RESID 35 (D): C 180.300 180.300 178.723 1.577 RESID 35 (D): CA 57.100 57.100 57.454 -0.354 RESID 35 (D): CB 40.420 40.420 40.331 0.089 RESID 35 (D): H 8.536 8.536 7.788 0.748 RESID 36 (L): N 120.500 120.500 120.868 -0.368 RESID 36 (L): C 178.500 178.500 177.993 0.507 RESID 36 (L): CA 57.720 57.720 57.766 -0.046 RESID 36 (L): CB 42.230 42.230 41.579 0.651 RESID 36 (L): H 8.508 8.508 7.230 1.278 RESID 37 (A): N 120.200 120.200 121.748 -1.548 RESID 37 (A): C 178.600 178.600 179.572 -0.972 RESID 37 (A): CA 55.170 55.170 55.256 -0.086 RESID 37 (A): CB 17.340 17.340 18.459 -1.119 RESID 37 (A): H 8.383 8.383 7.652 0.731 RESID 38 (K): N 116.400 116.400 119.337 -2.937 RESID 38 (K): C 180.100 180.100 179.143 0.957 RESID 38 (K): CA 60.530 60.530 60.011 0.519 RESID 38 (K): CB 31.840 31.840 32.365 -0.526 RESID 38 (K): H 8.780 8.780 8.165 0.615 RESID 39 (E): N 121.500 121.500 119.397 2.103 RESID 39 (E): C 178.300 178.300 179.373 -1.073 RESID 39 (E): CA 58.430 58.430 59.322 -0.892 RESID 39 (E): CB 27.990 27.990 29.504 -1.514 RESID 39 (E): H 7.692 7.692 7.780 -0.088 RESID 40 (L): N 121.500 121.500 120.413 1.087 RESID 40 (L): C 178.700 178.700 178.819 -0.119 RESID 40 (L): CA 58.490 58.490 58.274 0.216 RESID 40 (L): CB 40.250 40.250 41.755 -1.505 RESID 40 (L): H 8.563 8.563 7.855 0.708 RESID 41 (C): N 115.700 115.700 118.406 -2.706 RESID 41 (C): C 175.800 175.800 177.474 -1.674 RESID 41 (C): CA 62.390 62.390 62.731 -0.341 RESID 41 (C): CB 46.860 46.860 25.448 21.412 RESID 41 (C): H 8.598 8.598 8.643 -0.045 RESID 42 (K): N 119.300 119.300 119.648 -0.348 RESID 42 (K): C 180.800 180.800 179.090 1.710 RESID 42 (K): CA 58.810 58.810 59.431 -0.621 RESID 42 (K): CB 31.430 31.430 32.355 -0.925 RESID 42 (K): H 7.490 7.490 8.044 -0.554 RESID 43 (R): N 119.500 119.500 117.919 1.581 RESID 43 (R): C 178.700 178.700 178.664 0.036 RESID 43 (R): CA 58.760 58.760 58.433 0.327 RESID 43 (R): CB 29.980 29.980 30.243 -0.263 RESID 43 (R): H 8.057 8.057 7.607 0.450 RESID 44 (I): N 111.800 111.800 117.564 -5.764 RESID 44 (I): C 175.000 175.000 175.852 -0.852 RESID 44 (I): CA 60.940 60.940 63.090 -2.150 RESID 44 (I): CB 36.630 36.630 38.203 -1.573 RESID 44 (I): H 7.765 7.765 8.421 -0.656 RESID 45 (N): N 118.800 118.800 115.710 3.090 RESID 45 (N): C 173.600 173.600 173.943 -0.343 RESID 45 (N): CA 53.670 53.670 54.631 -0.961 RESID 45 (N): CB 36.620 36.620 35.927 0.693 RESID 45 (N): H 7.752 7.752 8.090 -0.338 RESID 46 (T): N 112.800 112.800 105.741 7.059 RESID 46 (T): C 173.100 173.100 172.840 0.260 RESID 46 (T): CA 60.020 60.020 60.270 -0.250 RESID 46 (T): CB 70.500 70.500 71.872 -1.372 RESID 46 (T): H 7.920 7.920 7.916 0.004 RESID 47 (Q): N 123.500 123.500 120.022 3.478 RESID 47 (Q): C 175.400 175.400 174.579 0.821 RESID 47 (Q): CA 54.550 54.550 55.113 -0.563 RESID 47 (Q): CB 28.670 28.670 30.451 -1.781 RESID 47 (Q): H 8.037 8.037 8.344 -0.307 RESID 48 (C): N 123.800 123.800 124.561 -0.761 RESID 48 (C): C 173.800 173.800 174.387 -0.587 RESID 48 (C): CA 53.170 53.170 57.900 -4.730 RESID 48 (C): CB 47.290 47.290 29.238 18.052 RESID 48 (C): H 8.881 8.881 8.690 0.191 RESID 49 (T): N 118.600 118.600 120.559 -1.959 RESID 49 (T): C 172.700 172.700 172.526 0.174 RESID 49 (T): CA 60.210 60.210 61.250 -1.040 RESID 49 (T): CB 70.980 70.980 71.110 -0.130 RESID 49 (T): H 8.324 8.324 8.858 -0.534 RESID 50 (F): N 123.800 123.800 125.846 -2.046 RESID 50 (F): C 175.800 175.800 175.943 -0.143 RESID 50 (F): CA 57.370 57.370 57.308 0.062 RESID 50 (F): CB 40.730 40.730 40.339 0.391 RESID 50 (F): H 8.982 8.982 8.618 0.364 RESID 51 (V): N 126.300 126.300 123.651 2.649 RESID 51 (V): C 174.700 174.700 174.710 -0.010 RESID 51 (V): CA 60.650 60.650 60.679 -0.029 RESID 51 (V): CB 33.700 33.700 35.386 -1.686 RESID 51 (V): H 9.271 9.271 9.135 0.136 RESID 52 (E): N 126.900 126.900 128.949 -2.049 RESID 52 (E): C 176.900 176.900 175.209 1.691 RESID 52 (E): CA 54.480 54.480 57.243 -2.763 RESID 52 (E): CB 29.350 29.350 30.399 -1.049 RESID 52 (E): H 8.617 8.617 8.773 -0.156 RESID 53 (N): N 127.100 127.100 120.680 6.420 RESID 53 (N): C 170.600 170.600 172.410 -1.810 RESID 53 (N): CA 51.220 51.220 51.516 -0.296 RESID 53 (N): CB 43.980 43.980 38.303 5.677 RESID 53 (N): H 8.917 8.917 8.224 0.693 RESID 54 (P): C 178.600 178.600 178.789 -0.189 RESID 54 (P): CA 61.650 61.650 62.342 -0.692 RESID 54 (P): CB 31.460 31.460 32.885 -1.425 RESID 55 (L): N 124.200 124.200 124.161 0.039 RESID 55 (L): C 179.600 179.600 178.722 0.878 RESID 55 (L): CA 58.130 58.130 59.240 -1.110 RESID 55 (L): CB 41.470 41.470 41.373 0.097 RESID 55 (L): H 9.096 9.096 8.793 0.303 RESID 56 (D): N 115.400 115.400 119.037 -3.637 RESID 56 (D): C 176.500 176.500 177.318 -0.818 RESID 56 (D): CA 56.080 56.080 56.862 -0.782 RESID 56 (D): CB 39.640 39.640 40.173 -0.533 RESID 56 (D): H 8.651 8.651 8.531 0.120 RESID 57 (A): N 120.400 120.400 119.912 0.488 RESID 57 (A): C 180.000 180.000 178.947 1.053 RESID 57 (A): CA 51.440 51.440 53.629 -2.189 RESID 57 (A): CB 19.170 19.170 19.649 -0.479 RESID 57 (A): H 8.079 8.079 8.324 -0.245 RESID 58 (L): N 122.300 122.300 121.061 1.239 RESID 58 (L): C 177.800 177.800 178.746 -0.946 RESID 58 (L): CA 58.960 58.960 58.073 0.887 RESID 58 (L): CB 40.150 40.150 41.870 -1.720 RESID 58 (L): H 7.783 7.783 8.081 -0.298 RESID 59 (I): N 119.600 119.600 119.644 -0.044 RESID 59 (I): C 176.400 176.400 175.198 1.202 RESID 59 (I): CA 68.170 68.170 65.938 2.232 RESID 59 (I): CB 33.980 33.980 34.569 -0.589 RESID 59 (I): H 9.094 9.094 7.785 1.309 RESID 60 (P): C 180.100 180.100 179.271 0.829 RESID 60 (P): CA 65.890 65.890 66.531 -0.641 RESID 60 (P): CB 29.980 29.980 31.250 -1.270 RESID 61 (S): N 114.800 114.800 114.934 -0.134 RESID 61 (S): C 175.500 175.500 176.688 -1.188 RESID 61 (S): CA 62.170 62.170 61.843 0.327 RESID 61 (S): H 7.865 7.865 8.241 -0.376 RESID 62 (L): N 126.200 126.200 123.102 3.098 RESID 62 (L): C 181.000 181.000 178.962 2.038 RESID 62 (L): CA 57.400 57.400 57.713 -0.313 RESID 62 (L): CB 41.820 41.820 41.779 0.041 RESID 62 (L): H 8.296 8.296 8.206 0.090 RESID 63 (K): N 121.000 121.000 119.045 1.955 RESID 63 (K): C 178.000 178.000 177.931 0.069 RESID 63 (K): CA 59.500 59.500 59.167 0.333 RESID 63 (K): CB 30.770 30.770 32.472 -1.702 RESID 63 (K): H 8.461 8.461 7.778 0.683 RESID 64 (A): N 118.700 118.700 118.710 -0.010 RESID 64 (A): C 176.200 176.200 176.677 -0.477 RESID 64 (A): CA 51.680 51.680 51.982 -0.302 RESID 64 (A): CB 18.140 18.140 18.566 -0.426 RESID 64 (A): H 7.686 7.686 7.976 -0.290 RESID 65 (K): N 112.200 112.200 113.986 -1.786 RESID 65 (K): C 176.000 176.000 176.498 -0.498 RESID 65 (K): CA 57.800 57.800 57.997 -0.197 RESID 65 (K): CB 27.730 27.730 29.921 -2.191 RESID 65 (K): H 7.751 7.751 7.678 0.073 RESID 66 (K): N 118.300 118.300 115.434 2.866 RESID 66 (K): C 176.600 176.600 177.113 -0.513 RESID 66 (K): CA 57.200 57.200 58.450 -1.250 RESID 66 (K): CB 32.170 32.170 33.016 -0.846 RESID 66 (K): H 8.415 8.415 7.778 0.637 RESID 67 (I): N 107.500 107.500 112.496 -4.996 RESID 67 (I): C 174.000 174.000 175.380 -1.380 RESID 67 (I): CA 59.050 59.050 59.032 0.018 RESID 67 (I): CB 40.470 40.470 41.045 -0.575 RESID 67 (I): H 7.034 7.034 7.240 -0.206 RESID 68 (D): N 119.000 119.000 121.972 -2.972 RESID 68 (D): C 172.200 172.200 175.765 -3.565 RESID 68 (D): CA 55.560 55.560 55.348 0.212 RESID 68 (D): CB 44.210 44.210 42.620 1.590 RESID 68 (D): H 9.739 9.739 8.441 1.298 RESID 69 (A): N 117.400 117.400 118.242 -0.842 RESID 69 (A): C 175.900 175.900 174.850 1.050 RESID 69 (A): CA 50.120 50.120 51.162 -1.042 RESID 69 (A): CB 21.960 21.960 22.164 -0.204 RESID 69 (A): H 7.660 7.660 7.692 -0.032 RESID 70 (I): N 120.500 120.500 120.834 -0.334 RESID 70 (I): C 174.500 174.500 174.330 0.170 RESID 70 (I): CA 60.060 60.060 60.665 -0.605 RESID 70 (I): CB 41.190 41.190 41.004 0.186 RESID 70 (I): H 9.402 9.402 8.047 1.355 RESID 71 (M): N 128.300 128.300 129.096 -0.796 RESID 71 (M): C 172.500 172.500 173.794 -1.294 RESID 71 (M): CA 53.040 53.040 55.084 -2.045 RESID 71 (M): CB 33.940 33.940 34.132 -0.192 RESID 71 (M): H 8.431 8.431 8.228 0.203 RESID 72 (S): N 122.700 122.700 121.246 1.454 RESID 72 (S): C 172.800 172.800 173.553 -0.753 RESID 72 (S): CA 57.630 57.630 57.011 0.619 RESID 72 (S): CB 64.590 64.590 65.151 -0.561 RESID 72 (S): H 8.717 8.717 8.599 0.118 RESID 73 (S): N 120.600 120.600 115.107 5.493 RESID 73 (S): C 174.900 174.900 174.918 -0.018 RESID 73 (S): CA 58.590 58.590 59.548 -0.958 RESID 73 (S): CB 62.920 62.920 62.817 0.103 RESID 73 (S): H 8.570 8.570 8.649 -0.079 RESID 74 (L): N 120.700 120.700 123.672 -2.972 RESID 74 (L): C 175.300 175.300 176.088 -0.788 RESID 74 (L): CA 54.320 54.320 55.656 -1.336 RESID 74 (L): CB 42.350 42.350 42.839 -0.489 RESID 74 (L): H 8.678 8.678 7.487 1.191 RESID 75 (S): N 122.000 122.000 119.785 2.215 RESID 75 (S): C 174.500 174.500 173.658 0.842 RESID 75 (S): CA 59.250 59.250 57.127 2.123 RESID 75 (S): CB 63.060 63.060 64.775 -1.715 RESID 75 (S): H 8.142 8.142 7.863 0.279 RESID 76 (I): N 125.200 125.200 115.558 9.642 RESID 76 (I): C 175.500 175.500 174.608 0.892 RESID 76 (I): CA 61.340 61.340 59.536 1.804 RESID 76 (I): CB 35.790 35.790 39.678 -3.888 RESID 76 (I): H 8.307 8.307 8.232 0.075 RESID 77 (T): N 116.600 116.600 113.500 3.100 RESID 77 (T): C 174.800 174.800 175.072 -0.272 RESID 77 (T): CA 57.760 57.760 59.984 -2.224 RESID 77 (T): CB 71.570 71.570 72.309 -0.739 RESID 77 (T): H 6.513 6.513 7.531 -1.018 RESID 78 (E): N 124.500 124.500 124.885 -0.385 RESID 78 (E): C 179.500 179.500 177.891 1.609 RESID 78 (E): CA 59.140 59.140 60.861 -1.720 RESID 78 (E): CB 28.630 28.630 29.274 -0.644 RESID 78 (E): H 8.935 8.935 8.911 0.024 RESID 79 (K): N 118.400 118.400 118.308 0.092 RESID 79 (K): C 180.600 180.600 179.031 1.569 RESID 79 (K): CA 58.890 58.890 59.180 -0.290 RESID 79 (K): CB 31.610 31.610 32.301 -0.691 RESID 79 (K): H 8.415 8.415 8.364 0.051 RESID 80 (R): N 118.500 118.500 118.861 -0.361 RESID 80 (R): C 179.100 179.100 178.956 0.144 RESID 80 (R): CA 59.580 59.580 59.212 0.367 RESID 80 (R): CB 30.380 30.380 30.068 0.312 RESID 80 (R): H 7.678 7.678 7.403 0.275 RESID 81 (Q): N 119.000 119.000 119.785 -0.785 RESID 81 (Q): C 176.600 176.600 178.838 -2.238 RESID 81 (Q): CA 57.510 57.510 59.170 -1.660 RESID 81 (Q): CB 28.880 28.880 28.535 0.345 RESID 81 (Q): H 8.418 8.418 8.338 0.080 RESID 82 (Q): N 115.300 115.300 117.845 -2.545 RESID 82 (Q): C 177.400 177.400 177.879 -0.479 RESID 82 (Q): CA 57.280 57.280 58.471 -1.191 RESID 82 (Q): CB 27.950 27.950 28.458 -0.508 RESID 82 (Q): H 7.297 7.297 7.896 -0.599 RESID 83 (E): N 115.600 115.600 117.765 -2.165 RESID 83 (E): C 176.400 176.400 177.304 -0.904 RESID 83 (E): CA 56.950 56.950 58.385 -1.435 RESID 83 (E): CB 33.090 33.090 31.189 1.901 RESID 83 (E): H 7.627 7.627 7.930 -0.303 RESID 84 (I): N 115.100 115.100 111.877 3.223 RESID 84 (I): C 172.600 172.600 173.939 -1.339 RESID 84 (I): CA 59.380 59.380 58.891 0.489 RESID 84 (I): CB 40.830 40.830 41.519 -0.688 RESID 84 (I): H 8.275 8.275 7.964 0.311 RESID 85 (A): N 120.600 120.600 120.382 0.218 RESID 85 (A): C 175.000 175.000 175.264 -0.264 RESID 85 (A): CA 49.150 49.150 50.278 -1.128 RESID 85 (A): CB 22.280 22.280 21.402 0.878 RESID 85 (A): H 8.679 8.679 8.416 0.263 RESID 86 (F): N 115.500 115.500 119.158 -3.658 RESID 86 (F): C 178.800 178.800 175.826 2.974 RESID 86 (F): CA 55.850 55.850 56.902 -1.052 RESID 86 (F): CB 44.300 44.300 44.036 0.264 RESID 86 (F): H 8.283 8.283 8.615 -0.332 RESID 87 (T): N 108.200 108.200 114.968 -6.768 RESID 87 (T): C 174.700 174.700 173.796 0.904 RESID 87 (T): CA 61.930 61.930 61.162 0.768 RESID 87 (T): CB 72.740 72.740 70.073 2.667 RESID 87 (T): H 7.898 7.898 8.392 -0.494 RESID 88 (D): N 118.400 118.400 120.418 -2.018 RESID 88 (D): C 174.300 174.300 175.634 -1.334 RESID 88 (D): CA 55.030 55.030 55.782 -0.752 RESID 88 (D): CB 40.870 40.870 39.813 1.057 RESID 88 (D): H 8.789 8.789 8.804 -0.015 RESID 89 (K): N 118.100 118.100 116.623 1.477 RESID 89 (K): C 176.200 176.200 176.701 -0.501 RESID 89 (K): CA 55.570 55.570 57.268 -1.698 RESID 89 (K): CB 31.850 31.850 31.520 0.330 RESID 89 (K): H 7.666 7.666 7.691 -0.025 RESID 90 (L): N 123.400 123.400 126.376 -2.976 RESID 90 (L): C 178.000 178.000 177.723 0.277 RESID 90 (L): CA 54.450 54.450 57.307 -2.857 RESID 90 (L): CB 41.710 41.710 43.300 -1.591 RESID 90 (L): H 8.778 8.778 8.737 0.041 RESID 91 (Y): N 110.500 110.500 109.965 0.535 RESID 91 (Y): C 172.600 172.600 173.686 -1.086 RESID 91 (Y): CA 56.070 56.070 55.525 0.545 RESID 91 (Y): CB 37.670 37.670 40.550 -2.880 RESID 91 (Y): H 6.810 6.810 7.180 -0.370 RESID 92 (A): N 123.100 123.100 122.531 0.569 RESID 92 (A): C 175.600 175.600 176.796 -1.196 RESID 92 (A): CA 51.940 51.940 51.122 0.818 RESID 92 (A): CB 20.320 20.320 19.581 0.739 RESID 92 (A): H 8.135 8.135 9.101 -0.966 RESID 93 (A): N 127.000 127.000 127.797 -0.797 RESID 93 (A): C 175.700 175.700 176.667 -0.967 RESID 93 (A): CA 51.020 51.020 50.672 0.348 RESID 93 (A): CB 18.310 18.310 18.352 -0.042 RESID 93 (A): H 8.658 8.658 8.380 0.278 RESID 94 (D): N 122.900 122.900 121.692 1.208 RESID 94 (D): C 175.300 175.300 176.127 -0.827 RESID 94 (D): CA 53.910 53.910 55.141 -1.231 RESID 94 (D): CB 42.030 42.030 42.260 -0.230 RESID 94 (D): H 8.497 8.497 7.736 0.761 RESID 95 (S): N 110.300 110.300 112.198 -1.898 RESID 95 (S): C 171.600 171.600 173.060 -1.460 RESID 95 (S): CA 57.850 57.850 57.404 0.446 RESID 95 (S): CB 66.410 66.410 66.494 -0.084 RESID 95 (S): H 6.844 6.844 7.878 -1.034 RESID 96 (R): N 124.300 124.300 119.755 4.545 RESID 96 (R): C 173.700 173.700 173.860 -0.160 RESID 96 (R): CA 57.450 57.450 55.873 1.577 RESID 96 (R): CB 34.070 34.070 34.353 -0.283 RESID 96 (R): H 9.227 9.227 8.816 0.411 RESID 97 (L): N 124.100 124.100 125.075 -0.975 RESID 97 (L): C 177.600 177.600 175.917 1.683 RESID 97 (L): CA 54.150 54.150 53.766 0.384 RESID 97 (L): CB 42.640 42.640 44.436 -1.796 RESID 97 (L): H 9.343 9.343 8.026 1.317 RESID 98 (V): N 124.500 124.500 123.244 1.256 RESID 98 (V): C 175.700 175.700 175.036 0.664 RESID 98 (V): CA 61.770 61.770 60.880 0.889 RESID 98 (V): CB 32.950 32.950 32.316 0.633 RESID 98 (V): H 9.500 9.500 8.001 1.499 RESID 99 (V): N 116.800 116.800 120.684 -3.884 RESID 99 (V): C 174.600 174.600 173.937 0.663 RESID 99 (V): CA 58.190 58.190 58.825 -0.635 RESID 99 (V): CB 36.780 36.780 35.760 1.020 RESID 99 (V): H 9.192 9.192 8.123 1.069 RESID 100 (A): N 123.400 123.400 122.474 0.926 RESID 100 (A): C 179.200 179.200 178.368 0.832 RESID 100 (A): CA 52.690 52.690 50.643 2.047 RESID 100 (A): CB 18.160 18.160 20.125 -1.965 RESID 100 (A): H 9.043 9.043 8.422 0.621 RESID 101 (K): N 119.600 119.600 123.656 -4.056 RESID 101 (K): C 176.800 176.800 176.985 -0.185 RESID 101 (K): CA 59.360 59.360 58.977 0.383 RESID 101 (K): CB 31.380 31.380 31.861 -0.481 RESID 101 (K): H 7.840 7.840 8.912 -1.072 RESID 102 (N): N 114.400 114.400 115.642 -1.242 RESID 102 (N): C 175.500 175.500 175.249 0.251 RESID 102 (N): CA 52.330 52.330 54.584 -2.254 RESID 102 (N): CB 36.990 36.990 38.574 -1.584 RESID 102 (N): H 7.941 7.941 8.163 -0.222 RESID 103 (S): N 114.800 114.800 114.731 0.069 RESID 103 (S): C 176.000 176.000 173.271 2.729 RESID 103 (S): CA 58.180 58.180 57.470 0.710 RESID 103 (S): CB 64.310 64.310 63.906 0.404 RESID 103 (S): H 7.700 7.700 7.647 0.053 RESID 104 (D): N 128.500 128.500 129.319 -0.819 RESID 104 (D): C 176.700 176.700 174.971 1.729 RESID 104 (D): CA 52.990 52.990 53.966 -0.976 RESID 104 (D): CB 40.330 40.330 40.923 -0.593 RESID 104 (D): H 8.548 8.548 8.546 0.002 RESID 105 (I): N 122.800 122.800 123.955 -1.155 RESID 105 (I): C 173.800 173.800 174.477 -0.677 RESID 105 (I): CA 63.580 63.580 60.374 3.206 RESID 105 (I): CB 37.490 37.490 40.505 -3.015 RESID 105 (I): H 7.826 7.826 8.154 -0.328 RESID 106 (Q): N 124.600 124.600 125.099 -0.499 RESID 106 (Q): C 174.700 174.700 173.986 0.714 RESID 106 (Q): CA 51.380 51.380 52.004 -0.624 RESID 106 (Q): CB 31.050 31.050 29.071 1.979 RESID 106 (Q): H 8.174 8.174 8.353 -0.179 RESID 107 (P): C 175.300 175.300 175.779 -0.479 RESID 107 (P): CA 61.880 61.880 63.691 -1.811 RESID 107 (P): CB 26.860 26.860 30.750 -3.890 RESID 108 (T): N 114.600 114.600 117.650 -3.050 RESID 108 (T): C 174.000 174.000 174.386 -0.386 RESID 108 (T): CA 57.690 57.690 61.571 -3.881 RESID 108 (T): CB 71.020 71.020 72.108 -1.088 RESID 108 (T): H 8.531 8.531 7.737 0.794 RESID 109 (V): N 121.800 121.800 123.558 -1.758 RESID 109 (V): C 177.300 177.300 176.929 0.371 RESID 109 (V): CA 65.600 65.600 64.765 0.835 RESID 109 (V): CB 30.580 30.580 32.771 -2.191 RESID 109 (V): H 8.775 8.775 8.491 0.284 RESID 110 (E): N 116.900 116.900 120.813 -3.913 RESID 110 (E): C 178.400 178.400 178.647 -0.247 RESID 110 (E): CA 59.260 59.260 60.137 -0.877 RESID 110 (E): CB 28.170 28.170 29.048 -0.878 RESID 110 (E): H 8.414 8.414 8.381 0.033 RESID 111 (S): N 113.200 113.200 113.431 -0.231 RESID 111 (S): C 176.500 176.500 175.916 0.584 RESID 111 (S): CA 59.370 59.370 60.986 -1.616 RESID 111 (S): CB 63.730 63.730 62.520 1.210 RESID 111 (S): H 7.387 7.387 8.437 -1.050 RESID 112 (L): N 116.100 116.100 120.403 -4.303 RESID 112 (L): C 176.700 176.700 176.691 0.009 RESID 112 (L): CA 54.580 54.580 55.366 -0.786 RESID 112 (L): CB 42.650 42.650 42.560 0.090 RESID 112 (L): H 7.676 7.676 7.322 0.354 RESID 113 (K): N 121.000 121.000 119.253 1.747 RESID 113 (K): C 178.200 178.200 177.489 0.711 RESID 113 (K): CA 58.850 58.850 58.235 0.615 RESID 113 (K): CB 30.850 30.850 32.230 -1.380 RESID 113 (K): H 7.445 7.445 7.752 -0.307 RESID 114 (G): N 113.900 113.900 112.945 0.955 RESID 114 (G): C 174.200 174.200 174.798 -0.598 RESID 114 (G): CA 45.240 45.240 45.338 -0.098 RESID 114 (G): H 8.454 8.454 8.350 0.104 RESID 115 (K): N 120.600 120.600 121.728 -1.128 RESID 115 (K): C 174.800 174.800 176.098 -1.298 RESID 115 (K): CA 53.710 53.710 54.767 -1.056 RESID 115 (K): CB 31.990 31.990 33.301 -1.312 RESID 115 (K): H 8.530 8.530 7.887 0.643 RESID 116 (R): N 119.300 119.300 120.759 -1.459 RESID 116 (R): C 176.000 176.000 175.440 0.560 RESID 116 (R): CA 54.720 54.720 55.657 -0.937 RESID 116 (R): CB 32.310 32.310 31.888 0.422 RESID 116 (R): H 9.455 9.455 8.422 1.033 RESID 117 (V): N 126.100 126.100 123.094 3.006 RESID 117 (V): C 175.300 175.300 174.939 0.361 RESID 117 (V): CA 60.090 60.090 60.210 -0.120 RESID 117 (V): CB 33.620 33.620 35.590 -1.970 RESID 117 (V): H 9.217 9.217 8.625 0.592 RESID 118 (G): N 114.000 114.000 113.659 0.341 RESID 118 (G): C 172.300 172.300 172.513 -0.213 RESID 118 (G): CA 45.010 45.010 43.600 1.410 RESID 118 (G): H 9.367 9.367 8.079 1.288 RESID 119 (V): N 116.400 116.400 122.226 -5.826 RESID 119 (V): C 174.100 174.100 174.004 0.096 RESID 119 (V): CA 58.270 58.270 60.444 -2.174 RESID 119 (V): CB 36.370 36.370 37.003 -0.633 RESID 119 (V): H 9.166 9.166 9.314 -0.148 RESID 120 (L): N 124.400 124.400 124.081 0.319 RESID 120 (L): C 176.900 176.900 175.675 1.225 RESID 120 (L): CA 53.690 53.690 53.946 -0.256 RESID 120 (L): CB 41.240 41.240 42.754 -1.514 RESID 120 (L): H 8.961 8.961 8.834 0.127 RESID 121 (Q): N 128.000 128.000 127.132 0.868 RESID 121 (Q): C 176.900 176.900 177.253 -0.353 RESID 121 (Q): CA 56.680 56.680 57.063 -0.383 RESID 121 (Q): CB 27.920 27.920 29.526 -1.606 RESID 121 (Q): H 9.305 9.305 8.999 0.306 RESID 122 (G): N 113.600 113.600 113.627 -0.027 RESID 122 (G): C 175.100 175.100 173.548 1.552 RESID 122 (G): CA 45.240 45.240 45.464 -0.224 RESID 122 (G): H 9.383 9.383 8.821 0.562 RESID 123 (T): N 108.400 108.400 110.088 -1.688 RESID 123 (T): C 176.800 176.800 174.408 2.392 RESID 123 (T): CA 60.260 60.260 59.977 0.282 RESID 123 (T): CB 73.530 73.530 70.678 2.852 RESID 123 (T): H 7.220 7.220 7.732 -0.512 RESID 124 (T): N 113.900 113.900 112.538 1.362 RESID 124 (T): C 178.100 178.100 176.526 1.574 RESID 124 (T): CA 63.990 63.990 64.624 -0.634 RESID 124 (T): CB 67.740 67.740 68.724 -0.984 RESID 124 (T): H 8.934 8.934 8.664 0.270 RESID 125 (Q): N 120.600 120.600 122.437 -1.837 RESID 125 (Q): C 178.300 178.300 178.074 0.226 RESID 125 (Q): CA 61.670 61.670 59.773 1.897 RESID 125 (Q): CB 25.310 25.310 28.047 -2.737 RESID 125 (Q): H 7.521 7.521 8.269 -0.748 RESID 126 (E): N 121.900 121.900 119.778 2.122 RESID 126 (E): C 177.600 177.600 178.890 -1.290 RESID 126 (E): CA 59.630 59.630 59.831 -0.201 RESID 126 (E): CB 28.730 28.730 29.636 -0.906 RESID 126 (E): H 7.717 7.717 7.810 -0.093 RESID 127 (T): N 117.800 117.800 116.218 1.582 RESID 127 (T): C 176.200 176.200 176.349 -0.149 RESID 127 (T): CA 66.340 66.340 66.831 -0.491 RESID 127 (T): CB 67.590 67.590 68.729 -1.139 RESID 127 (T): H 8.175 8.175 7.612 0.563 RESID 128 (F): N 121.900 121.900 121.950 -0.050 RESID 128 (F): C 178.000 178.000 177.528 0.472 RESID 128 (F): CA 61.590 61.590 60.726 0.864 RESID 128 (F): CB 38.810 38.810 38.932 -0.122 RESID 128 (F): H 8.882 8.882 8.579 0.303 RESID 129 (G): N 107.000 107.000 107.125 -0.125 RESID 129 (G): C 176.100 176.100 176.471 -0.371 RESID 129 (G): CA 46.690 46.690 47.214 -0.524 RESID 129 (G): H 8.900 8.900 9.156 -0.256 RESID 130 (N): N 123.000 123.000 118.436 4.564 RESID 130 (N): C 176.200 176.200 175.826 0.374 RESID 130 (N): CA 55.400 55.400 55.332 0.068 RESID 130 (N): CB 37.570 37.570 38.196 -0.626 RESID 130 (N): H 8.915 8.915 8.566 0.349 RESID 131 (E): N 119.000 119.000 116.740 2.260 RESID 131 (E): C 177.900 177.900 177.095 0.805 RESID 131 (E): CA 57.940 57.940 56.707 1.233 RESID 131 (E): CB 29.350 29.350 30.759 -1.409 RESID 131 (E): H 7.907 7.907 7.477 0.430 RESID 132 (H): N 112.600 112.600 118.658 -6.058 RESID 132 (H): C 175.900 175.900 175.565 0.335 RESID 132 (H): CA 56.910 56.910 58.809 -1.899 RESID 132 (H): CB 30.510 30.510 29.815 0.695 RESID 132 (H): H 7.877 7.877 7.871 0.006 RESID 133 (W): N 119.300 119.300 117.473 1.827 RESID 133 (W): C 176.800 176.800 176.193 0.607 RESID 133 (W): CA 55.570 55.570 56.547 -0.977 RESID 133 (W): CB 30.400 30.400 29.707 0.692 RESID 133 (W): H 7.653 7.653 7.503 0.150 RESID 134 (A): N 125.400 125.400 124.641 0.759 RESID 134 (A): C 177.700 177.700 177.225 0.475 RESID 134 (A): CA 55.410 55.410 54.617 0.793 RESID 134 (A): CB 15.990 15.990 16.805 -0.815 RESID 134 (A): H 8.711 8.711 7.539 1.172 RESID 135 (P): C 177.200 177.200 177.412 -0.212 RESID 135 (P): CA 64.510 64.510 64.188 0.322 RESID 135 (P): CB 30.800 30.800 30.992 -0.192 RESID 136 (K): N 115.800 115.800 116.270 -0.470 RESID 136 (K): C 176.500 176.500 177.637 -1.137 RESID 136 (K): CA 53.530 53.530 55.930 -2.400 RESID 136 (K): CB 31.430 31.430 32.063 -0.633 RESID 136 (K): H 7.665 7.665 8.131 -0.466 RESID 137 (G): N 106.100 106.100 108.366 -2.266 RESID 137 (G): C 174.300 174.300 173.532 0.768 RESID 137 (G): CA 45.740 45.740 45.367 0.373 RESID 137 (G): H 7.864 7.864 7.666 0.198 RESID 138 (I): N 124.400 124.400 119.379 5.021 RESID 138 (I): C 174.400 174.400 174.771 -0.371 RESID 138 (I): CA 60.460 60.460 60.093 0.367 RESID 138 (I): CB 38.080 38.080 39.851 -1.771 RESID 138 (I): H 6.889 6.889 7.473 -0.584 RESID 139 (E): N 128.400 128.400 127.224 1.176 RESID 139 (E): C 173.900 173.900 175.093 -1.193 RESID 139 (E): CA 56.050 56.050 55.600 0.450 RESID 139 (E): CB 29.490 29.490 31.213 -1.723 RESID 139 (E): H 8.230 8.230 8.330 -0.100 RESID 140 (I): N 129.500 129.500 121.624 7.876 RESID 140 (I): C 176.100 176.100 174.738 1.362 RESID 140 (I): CA 57.100 57.100 59.004 -1.904 RESID 140 (I): CB 34.440 34.440 40.633 -6.193 RESID 140 (I): H 8.642 8.642 8.353 0.289 RESID 141 (V): N 133.000 133.000 125.031 7.969 RESID 141 (V): C 174.400 174.400 174.434 -0.034 RESID 141 (V): CA 61.060 61.060 61.144 -0.084 RESID 141 (V): CB 32.410 32.410 36.298 -3.888 RESID 141 (V): H 9.387 9.387 9.108 0.279 RESID 142 (S): N 122.900 122.900 120.224 2.676 RESID 142 (S): C 175.000 175.000 173.595 1.405 RESID 142 (S): CA 57.710 57.710 57.157 0.553 RESID 142 (S): CB 63.710 63.710 63.906 -0.196 RESID 142 (S): H 8.490 8.490 8.359 0.131 RESID 143 (Y): N 123.400 123.400 125.920 -2.520 RESID 143 (Y): C 175.900 175.900 176.430 -0.530 RESID 143 (Y): CA 57.300 57.300 57.655 -0.355 RESID 143 (Y): CB 42.300 42.300 41.387 0.913 RESID 143 (Y): H 8.979 8.979 9.328 -0.349 RESID 144 (Q): N 119.500 119.500 119.722 -0.222 RESID 144 (Q): C 176.000 176.000 174.964 1.036 RESID 144 (Q): CA 56.490 56.490 55.909 0.581 RESID 144 (Q): CB 28.470 28.470 29.910 -1.440 RESID 144 (Q): H 8.974 8.974 8.732 0.242 RESID 145 (G): N 106.800 106.800 107.310 -0.510 RESID 145 (G): C 173.500 173.500 174.160 -0.660 RESID 145 (G): CA 44.300 44.300 44.306 -0.006 RESID 145 (G): H 7.531 7.531 7.856 -0.325 RESID 146 (Q): N 124.300 124.300 122.839 1.461 RESID 146 (Q): C 177.200 177.200 177.352 -0.152 RESID 146 (Q): CA 57.800 57.800 58.803 -1.002 RESID 146 (Q): CB 28.190 28.190 28.622 -0.432 RESID 146 (Q): H 8.949 8.949 8.858 0.091 RESID 147 (D): N 117.900 117.900 118.438 -0.538 RESID 147 (D): C 178.900 178.900 178.481 0.419 RESID 147 (D): CA 56.650 56.650 56.882 -0.232 RESID 147 (D): CB 38.890 38.890 39.738 -0.848 RESID 147 (D): H 8.746 8.746 8.784 -0.038 RESID 148 (N): N 117.500 117.500 117.712 -0.212 RESID 148 (N): C 176.700 176.700 177.339 -0.639 RESID 148 (N): CA 55.160 55.160 55.589 -0.429 RESID 148 (N): CB 38.700 38.700 38.091 0.609 RESID 148 (N): H 7.496 7.496 8.569 -1.073 RESID 149 (I): N 120.000 120.000 119.996 0.004 RESID 149 (I): C 177.400 177.400 177.508 -0.108 RESID 149 (I): CA 64.450 64.450 65.084 -0.634 RESID 149 (I): CB 35.900 35.900 37.596 -1.696 RESID 149 (I): H 6.793 6.793 7.109 -0.316 RESID 150 (Y): N 117.400 117.400 118.214 -0.814 RESID 150 (Y): C 178.800 178.800 178.068 0.732 RESID 150 (Y): CA 59.730 59.730 61.669 -1.939 RESID 150 (Y): CB 35.970 35.970 37.642 -1.672 RESID 150 (Y): H 6.897 6.897 7.393 -0.496 RESID 151 (S): N 117.000 117.000 114.928 2.072 RESID 151 (S): C 177.000 177.000 177.013 -0.013 RESID 151 (S): CA 61.300 61.300 61.691 -0.391 RESID 151 (S): CB 62.100 62.100 62.210 -0.110 RESID 151 (S): H 8.186 8.186 8.250 -0.064 RESID 152 (D): N 122.300 122.300 123.239 -0.939 RESID 152 (D): C 179.000 179.000 178.353 0.647 RESID 152 (D): CA 56.580 56.580 56.880 -0.300 RESID 152 (D): CB 38.240 38.240 40.365 -2.126 RESID 152 (D): H 7.541 7.541 7.719 -0.178 RESID 153 (L): N 124.100 124.100 121.180 2.920 RESID 153 (L): C 180.300 180.300 178.557 1.743 RESID 153 (L): CA 58.160 58.160 57.544 0.616 RESID 153 (L): CB 41.630 41.630 41.823 -0.193 RESID 153 (L): H 8.372 8.372 7.866 0.506 RESID 154 (T): N 111.900 111.900 113.467 -1.567 RESID 154 (T): C 176.700 176.700 175.354 1.346 RESID 154 (T): CA 63.920 63.920 65.412 -1.492 RESID 154 (T): CB 68.700 68.700 69.016 -0.316 RESID 154 (T): H 8.389 8.389 8.334 0.055 RESID 155 (A): N 121.800 121.800 120.068 1.732 RESID 155 (A): C 178.200 178.200 178.022 0.178 RESID 155 (A): CA 51.640 51.640 52.302 -0.662 RESID 155 (A): CB 18.990 18.990 19.438 -0.448 RESID 155 (A): H 7.444 7.444 7.068 0.376 RESID 156 (G): N 107.800 107.800 107.115 0.685 RESID 156 (G): C 175.100 175.100 175.346 -0.246 RESID 156 (G): CA 45.420 45.420 45.169 0.251 RESID 156 (G): H 7.921 7.921 8.025 -0.104 RESID 157 (R): N 119.000 119.000 119.190 -0.190 RESID 157 (R): C 176.600 176.600 175.704 0.896 RESID 157 (R): CA 57.260 57.260 57.584 -0.324 RESID 157 (R): CB 30.400 30.400 30.780 -0.380 RESID 157 (R): H 8.443 8.443 8.179 0.264 RESID 158 (I): N 108.900 108.900 112.773 -3.873 RESID 158 (I): C 173.700 173.700 174.285 -0.585 RESID 158 (I): CA 59.900 59.900 59.209 0.691 RESID 158 (I): CB 40.070 40.070 41.100 -1.030 RESID 158 (I): H 7.109 7.109 7.115 -0.006 RESID 159 (D): N 119.100 119.100 123.755 -4.655 RESID 159 (D): C 174.700 174.700 175.651 -0.951 RESID 159 (D): CA 55.900 55.900 56.310 -0.410 RESID 159 (D): CB 43.630 43.630 41.726 1.904 RESID 159 (D): H 8.737 8.737 8.540 0.197 RESID 160 (A): N 116.400 116.400 116.441 -0.041 RESID 160 (A): C 174.900 174.900 174.317 0.583 RESID 160 (A): CA 50.190 50.190 51.484 -1.294 RESID 160 (A): CB 23.030 23.030 21.345 1.685 RESID 160 (A): H 7.702 7.702 7.162 0.540 RESID 161 (A): N 123.400 123.400 121.794 1.606 RESID 161 (A): C 175.500 175.500 175.698 -0.198 RESID 161 (A): CA 49.730 49.730 50.258 -0.528 RESID 161 (A): CB 21.110 21.110 21.616 -0.506 RESID 161 (A): H 8.915 8.915 8.000 0.915 RESID 162 (F): N 125.100 125.100 122.542 2.558 RESID 162 (F): C 172.900 172.900 174.993 -2.093 RESID 162 (F): CA 54.500 54.500 58.239 -3.739 RESID 162 (F): CB 39.400 39.400 38.824 0.576 RESID 162 (F): H 8.971 8.971 8.408 0.563 RESID 163 (Q): N 124.600 124.600 123.376 1.224 RESID 163 (Q): C 173.400 173.400 173.693 -0.293 RESID 163 (Q): CA 53.550 53.550 53.632 -0.082 RESID 163 (Q): CB 34.390 34.390 33.144 1.246 RESID 163 (Q): H 7.904 7.904 8.323 -0.419 RESID 164 (D): N 122.300 122.300 121.268 1.032 RESID 164 (D): C 175.800 175.800 177.230 -1.430 RESID 164 (D): CA 55.540 55.540 54.480 1.060 RESID 164 (D): CB 42.370 42.370 42.038 0.332 RESID 164 (D): H 8.304 8.304 8.435 -0.131 RESID 165 (E): N 128.600 128.600 122.953 5.647 RESID 165 (E): C 177.700 177.700 178.100 -0.400 RESID 165 (E): CA 60.230 60.230 60.120 0.110 RESID 165 (E): CB 30.020 30.020 29.811 0.208 RESID 165 (E): H 8.605 8.605 8.757 -0.152 RESID 166 (V): N 120.100 120.100 118.815 1.285 RESID 166 (V): C 178.300 178.300 177.263 1.037 RESID 166 (V): CA 66.800 66.800 66.673 0.127 RESID 166 (V): CB 30.070 30.070 30.241 -0.171 RESID 166 (V): H 8.748 8.748 8.169 0.579 RESID 167 (A): N 123.200 123.200 120.034 3.166 RESID 167 (A): C 182.500 182.500 179.075 3.425 RESID 167 (A): CA 54.980 54.980 54.682 0.298 RESID 167 (A): CB 17.910 17.910 18.032 -0.122 RESID 167 (A): H 8.655 8.655 7.889 0.766 RESID 168 (A): N 121.300 121.300 122.162 -0.862 RESID 168 (A): C 179.800 179.800 179.712 0.088 RESID 168 (A): CA 54.180 54.180 54.550 -0.370 RESID 168 (A): CB 18.750 18.750 18.419 0.331 RESID 168 (A): H 8.349 8.349 7.887 0.462 RESID 169 (S): N 113.400 113.400 114.425 -1.025 RESID 169 (S): C 175.700 175.700 176.195 -0.495 RESID 169 (S): CA 61.050 61.050 62.561 -1.511 RESID 169 (S): CB 63.050 63.050 62.677 0.373 RESID 169 (S): H 8.058 8.058 8.122 -0.064 RESID 170 (E): N 115.600 115.600 119.706 -4.106 RESID 170 (E): C 178.800 178.800 177.043 1.757 RESID 170 (E): CA 57.610 57.610 57.887 -0.277 RESID 170 (E): CB 29.790 29.790 29.078 0.712 RESID 170 (E): H 8.824 8.824 7.789 1.035 RESID 171 (G): N 103.400 103.400 104.372 -0.972 RESID 171 (G): C 173.700 173.700 174.915 -1.215 RESID 171 (G): CA 44.970 44.970 45.193 -0.223 RESID 171 (G): H 8.154 8.154 7.338 0.816 RESID 172 (F): N 120.100 120.100 122.505 -2.405 RESID 172 (F): C 175.200 175.200 177.690 -2.490 RESID 172 (F): CA 60.690 60.690 61.174 -0.484 RESID 172 (F): CB 40.740 40.740 39.092 1.648 RESID 172 (F): H 7.297 7.297 8.323 -1.026 RESID 173 (L): N 117.800 117.800 117.744 0.056 RESID 173 (L): C 179.000 179.000 178.290 0.710 RESID 173 (L): CA 57.670 57.670 56.866 0.804 RESID 173 (L): CB 40.020 40.020 41.837 -1.817 RESID 173 (L): H 8.470 8.470 7.529 0.941 RESID 174 (K): N 114.600 114.600 116.443 -1.843 RESID 174 (K): C 176.900 176.900 176.360 0.540 RESID 174 (K): CA 56.450 56.450 57.275 -0.825 RESID 174 (K): CB 31.770 31.770 32.662 -0.892 RESID 174 (K): H 8.018 8.018 7.567 0.451 RESID 175 (Q): N 118.800 118.800 117.096 1.704 RESID 175 (Q): C 176.000 176.000 173.951 2.049 RESID 175 (Q): CA 52.510 52.510 52.211 0.299 RESID 175 (Q): CB 26.740 26.740 29.761 -3.021 RESID 175 (Q): H 7.151 7.151 7.274 -0.123 RESID 176 (P): C 179.300 179.300 177.329 1.971 RESID 176 (P): CA 66.100 66.100 65.422 0.678 RESID 176 (P): CB 30.720 30.720 31.523 -0.803 RESID 177 (V): N 112.300 112.300 117.298 -4.998 RESID 177 (V): C 175.900 175.900 177.895 -1.995 RESID 177 (V): CA 62.860 62.860 65.943 -3.083 RESID 177 (V): CB 30.660 30.660 30.573 0.087 RESID 177 (V): H 7.480 7.480 7.683 -0.203 RESID 178 (G): N 109.700 109.700 105.770 3.930 RESID 178 (G): C 175.000 175.000 174.789 0.211 RESID 178 (G): CA 44.080 44.080 46.255 -2.175 RESID 178 (G): H 7.173 7.173 7.915 -0.742 RESID 179 (K): N 120.900 120.900 119.091 1.809 RESID 179 (K): C 177.100 177.100 177.655 -0.555 RESID 179 (K): CA 58.360 58.360 58.456 -0.096 RESID 179 (K): CB 31.260 31.260 32.288 -1.028 RESID 179 (K): H 6.972 6.972 7.423 -0.451 RESID 180 (D): N 117.200 117.200 117.284 -0.084 RESID 180 (D): C 173.900 173.900 175.875 -1.975 RESID 180 (D): CA 53.920 53.920 55.874 -1.954 RESID 180 (D): CB 39.690 39.690 41.356 -1.666 RESID 180 (D): H 8.036 8.036 7.443 0.593 RESID 181 (Y): N 120.500 120.500 114.980 5.520 RESID 181 (Y): C 172.300 172.300 173.490 -1.190 RESID 181 (Y): CA 57.890 57.890 57.725 0.165 RESID 181 (Y): CB 41.860 41.860 42.325 -0.465 RESID 181 (Y): H 7.768 7.768 7.459 0.309 RESID 182 (K): N 116.900 116.900 118.766 -1.866 RESID 182 (K): C 174.900 174.900 174.280 0.620 RESID 182 (K): CA 54.330 54.330 56.445 -2.115 RESID 182 (K): CB 35.610 35.610 33.362 2.248 RESID 182 (K): H 9.497 9.497 8.835 0.662 RESID 183 (F): N 117.900 117.900 121.112 -3.212 RESID 183 (F): C 177.800 177.800 175.133 2.667 RESID 183 (F): CA 56.780 56.780 57.903 -1.123 RESID 183 (F): CB 38.320 38.320 42.961 -4.641 RESID 183 (F): H 8.470 8.470 8.125 0.345 RESID 184 (G): N 113.700 113.700 109.010 4.690 RESID 184 (G): C 173.300 173.300 174.866 -1.566 RESID 184 (G): CA 46.900 46.900 44.921 1.979 RESID 184 (G): H 9.107 9.107 8.815 0.292 RESID 185 (G): N 111.000 111.000 108.791 2.209 RESID 185 (G): C 171.100 171.100 172.850 -1.750 RESID 185 (G): CA 44.530 44.530 45.456 -0.926 RESID 185 (G): H 7.702 7.702 8.253 -0.551 RESID 186 (P): C 175.500 175.500 176.192 -0.692 RESID 186 (P): CA 61.920 61.920 64.418 -2.498 RESID 186 (P): CB 32.640 32.640 31.864 0.776 RESID 187 (S): N 113.500 113.500 119.525 -6.025 RESID 187 (S): C 173.500 173.500 173.692 -0.192 RESID 187 (S): CA 57.930 57.930 57.418 0.512 RESID 187 (S): CB 63.260 63.260 65.809 -2.549 RESID 187 (S): H 8.452 8.452 8.346 0.106 RESID 188 (V): N 123.300 123.300 122.240 1.060 RESID 188 (V): C 173.900 173.900 173.725 0.175 RESID 188 (V): CA 61.800 61.800 61.741 0.059 RESID 188 (V): CB 32.680 32.680 34.168 -1.488 RESID 188 (V): H 9.080 9.080 7.931 1.149 RESID 189 (K): N 125.200 125.200 121.904 3.296 RESID 189 (K): C 176.700 176.700 174.075 2.625 RESID 189 (K): CA 54.680 54.680 56.250 -1.570 RESID 189 (K): CB 33.780 33.780 34.424 -0.644 RESID 189 (K): H 8.123 8.123 8.167 -0.044 RESID 190 (D): N 120.300 120.300 122.068 -1.768 RESID 190 (D): C 175.300 175.300 176.885 -1.585 RESID 190 (D): CA 55.610 55.610 53.460 2.150 RESID 190 (D): CB 42.620 42.620 40.438 2.182 RESID 190 (D): H 8.823 8.823 8.274 0.549 RESID 191 (E): N 129.100 129.100 126.580 2.520 RESID 191 (E): C 177.300 177.300 177.566 -0.266 RESID 191 (E): CA 59.310 59.310 58.440 0.870 RESID 191 (E): CB 28.420 28.420 29.526 -1.107 RESID 191 (E): H 9.239 9.239 8.849 0.390 RESID 192 (K): N 118.000 118.000 119.283 -1.283 RESID 192 (K): C 178.200 178.200 178.047 0.153 RESID 192 (K): CA 58.140 58.140 58.921 -0.781 RESID 192 (K): CB 31.690 31.690 32.142 -0.452 RESID 192 (K): H 7.918 7.918 8.780 -0.862 RESID 193 (L): N 118.200 118.200 118.019 0.181 RESID 193 (L): C 177.700 177.700 177.648 0.052 RESID 193 (L): CA 55.790 55.790 56.946 -1.156 RESID 193 (L): CB 42.330 42.330 42.060 0.270 RESID 193 (L): H 8.362 8.362 7.140 1.222 RESID 194 (F): N 116.800 116.800 113.473 3.327 RESID 194 (F): C 178.200 178.200 175.842 2.358 RESID 194 (F): CA 54.620 54.620 57.399 -2.779 RESID 194 (F): CB 37.390 37.390 39.889 -2.499 RESID 194 (F): H 8.036 8.036 7.306 0.730 RESID 195 (G): N 106.900 106.900 108.863 -1.963 RESID 195 (G): C 174.200 174.200 174.571 -0.371 RESID 195 (G): CA 44.120 44.120 44.923 -0.803 RESID 195 (G): H 7.510 7.510 7.647 -0.137 RESID 196 (V): N 112.400 112.400 123.883 -11.483 RESID 196 (V): C 175.300 175.300 175.821 -0.521 RESID 196 (V): CA 60.720 60.720 64.014 -3.294 RESID 196 (V): CB 30.630 30.630 32.156 -1.526 RESID 196 (V): H 8.064 8.064 8.333 -0.269 RESID 197 (G): N 108.100 108.100 105.172 2.928 RESID 197 (G): C 172.300 172.300 172.013 0.287 RESID 197 (G): CA 43.210 43.210 45.280 -2.070 RESID 197 (G): H 7.788 7.788 7.254 0.534 RESID 198 (T): N 109.200 109.200 113.360 -4.160 RESID 198 (T): C 172.800 172.800 173.152 -0.352 RESID 198 (T): CA 59.090 59.090 59.334 -0.244 RESID 198 (T): CB 71.080 71.080 71.324 -0.244 RESID 198 (T): H 7.796 7.796 7.944 -0.148 RESID 199 (G): N 103.900 103.900 108.174 -4.274 RESID 199 (G): C 171.800 171.800 172.270 -0.470 RESID 199 (G): CA 43.840 43.840 45.627 -1.787 RESID 199 (G): H 7.928 7.928 7.855 0.073 RESID 200 (M): N 121.400 121.400 119.419 1.981 RESID 200 (M): C 176.200 176.200 176.035 0.165 RESID 200 (M): CA 55.260 55.260 54.846 0.414 RESID 200 (M): CB 33.390 33.390 35.591 -2.201 RESID 200 (M): H 7.971 7.971 8.236 -0.265 RESID 201 (G): N 112.200 112.200 110.383 1.817 RESID 201 (G): C 172.000 172.000 172.655 -0.655 RESID 201 (G): CA 44.540 44.540 44.299 0.241 RESID 201 (G): H 8.818 8.818 8.442 0.376 RESID 202 (L): N 124.700 124.700 124.859 -0.159 RESID 202 (L): C 176.000 176.000 175.929 0.071 RESID 202 (L): CA 53.740 53.740 52.836 0.904 RESID 202 (L): CB 46.010 46.010 46.053 -0.043 RESID 202 (L): H 8.767 8.767 8.678 0.089 RESID 203 (R): N 121.600 121.600 120.124 1.476 RESID 203 (R): C 180.400 180.400 177.915 2.485 RESID 203 (R): CA 57.130 57.130 55.471 1.659 RESID 203 (R): CB 29.650 29.650 31.285 -1.635 RESID 203 (R): H 10.270 10.270 8.137 2.133 RESID 204 (K): N 123.200 123.200 124.389 -1.189 RESID 204 (K): C 178.200 178.200 177.663 0.537 RESID 204 (K): CA 59.570 59.570 59.667 -0.097 RESID 204 (K): CB 31.840 31.840 32.148 -0.308 RESID 204 (K): H 9.231 9.231 8.667 0.564 RESID 205 (E): N 113.800 113.800 117.113 -3.313 RESID 205 (E): C 177.700 177.700 177.897 -0.197 RESID 205 (E): CA 57.230 57.230 58.223 -0.993 RESID 205 (E): CB 27.770 27.770 28.902 -1.132 RESID 205 (E): H 9.026 9.026 8.224 0.802 RESID 206 (D): N 126.000 126.000 120.874 5.126 RESID 206 (D): C 177.300 177.300 176.498 0.802 RESID 206 (D): CA 53.710 53.710 53.652 0.058 RESID 206 (D): CB 37.530 37.530 38.693 -1.163 RESID 206 (D): H 7.253 7.253 8.029 -0.776 RESID 207 (N): N 120.100 120.100 120.454 -0.354 RESID 207 (N): C 176.900 176.900 177.010 -0.110 RESID 207 (N): CA 56.950 56.950 56.447 0.503 RESID 207 (N): CB 38.820 38.820 38.892 -0.072 RESID 207 (N): H 7.839 7.839 8.714 -0.875 RESID 208 (E): N 120.500 120.500 118.980 1.520 RESID 208 (E): C 179.900 179.900 178.470 1.430 RESID 208 (E): CA 59.870 59.870 58.981 0.889 RESID 208 (E): CB 27.630 27.630 29.442 -1.812 RESID 208 (E): H 8.776 8.776 8.338 0.438 RESID 209 (L): N 122.900 122.900 120.438 2.462 RESID 209 (L): C 177.100 177.100 178.210 -1.110 RESID 209 (L): CA 57.400 57.400 57.550 -0.150 RESID 209 (L): CB 40.660 40.660 41.840 -1.180 RESID 209 (L): H 8.366 8.366 7.858 0.508 RESID 210 (R): N 119.100 119.100 118.772 0.328 RESID 210 (R): C 177.400 177.400 178.219 -0.819 RESID 210 (R): CA 59.970 59.970 59.744 0.226 RESID 210 (R): CB 30.110 30.110 30.025 0.085 RESID 210 (R): H 7.582 7.582 8.328 -0.746 RESID 211 (E): N 116.200 116.200 119.264 -3.064 RESID 211 (E): C 179.800 179.800 178.532 1.268 RESID 211 (E): CA 59.150 59.150 59.264 -0.114 RESID 211 (E): CB 28.600 28.600 29.594 -0.994 RESID 211 (E): H 8.407 8.407 7.883 0.524 RESID 212 (A): N 123.500 123.500 122.693 0.807 RESID 212 (A): C 181.300 181.300 179.657 1.643 RESID 212 (A): CA 54.810 54.810 54.724 0.086 RESID 212 (A): CB 17.170 17.170 18.133 -0.963 RESID 212 (A): H 8.128 8.128 7.643 0.485 RESID 213 (L): N 121.200 121.200 119.592 1.608 RESID 213 (L): C 178.400 178.400 179.615 -1.215 RESID 213 (L): CA 57.710 57.710 58.200 -0.490 RESID 213 (L): CB 41.450 41.450 41.215 0.235 RESID 213 (L): H 8.364 8.364 8.075 0.289 RESID 214 (N): N 119.200 119.200 116.466 2.734 RESID 214 (N): C 179.700 179.700 177.849 1.851 RESID 214 (N): CA 55.260 55.260 55.871 -0.611 RESID 214 (N): CB 37.120 37.120 37.927 -0.807 RESID 214 (N): H 8.435 8.435 8.343 0.092 RESID 215 (K): N 123.800 123.800 121.338 2.462 RESID 215 (K): C 178.400 178.400 178.516 -0.116 RESID 215 (K): CA 59.090 59.090 59.406 -0.316 RESID 215 (K): CB 31.740 31.740 32.486 -0.746 RESID 215 (K): H 8.080 8.080 8.461 -0.381 RESID 216 (A): N 122.200 122.200 121.768 0.432 RESID 216 (A): C 179.500 179.500 179.510 -0.010 RESID 216 (A): CA 54.140 54.140 54.880 -0.740 RESID 216 (A): CB 18.700 18.700 18.267 0.433 RESID 216 (A): H 7.935 7.935 8.233 -0.298 RESID 217 (F): N 119.500 119.500 120.141 -0.641 RESID 217 (F): C 177.200 177.200 176.981 0.219 RESID 217 (F): CA 61.390 61.390 60.323 1.067 RESID 217 (F): CB 38.000 38.000 39.076 -1.076 RESID 217 (F): H 8.916 8.916 8.339 0.577 RESID 218 (A): N 121.300 121.300 121.218 0.082 RESID 218 (A): C 182.100 182.100 179.679 2.421 RESID 218 (A): CA 54.810 54.810 55.211 -0.401 RESID 218 (A): CB 16.650 16.650 17.989 -1.339 RESID 218 (A): H 7.956 7.956 8.172 -0.216 RESID 219 (E): N 120.000 120.000 119.027 0.973 RESID 219 (E): C 178.600 178.600 179.003 -0.403 RESID 219 (E): CA 59.040 59.040 59.300 -0.260 RESID 219 (E): CB 28.320 28.320 29.482 -1.162 RESID 219 (E): H 7.952 7.952 7.847 0.105 RESID 220 (M): N 120.900 120.900 118.181 2.719 RESID 220 (M): C 179.000 179.000 178.526 0.474 RESID 220 (M): CA 57.430 57.430 59.486 -2.056 RESID 220 (M): CB 32.620 32.620 32.455 0.165 RESID 220 (M): H 8.190 8.190 8.075 0.115 RESID 221 (R): N 119.200 119.200 118.402 0.798 RESID 221 (R): C 179.300 179.300 178.891 0.409 RESID 221 (R): CA 58.710 58.710 58.949 -0.239 RESID 221 (R): CB 27.480 27.480 29.866 -2.386 RESID 221 (R): H 7.762 7.762 7.530 0.232 RESID 222 (A): N 122.500 122.500 122.104 0.396 RESID 222 (A): C 179.300 179.300 178.935 0.365 RESID 222 (A): CA 54.180 54.180 54.630 -0.450 RESID 222 (A): CB 18.030 18.030 18.549 -0.519 RESID 222 (A): H 7.838 7.838 7.737 0.101 RESID 223 (D): N 115.100 115.100 114.677 0.423 RESID 223 (D): C 177.900 177.900 177.268 0.632 RESID 223 (D): CA 53.020 53.020 53.143 -0.123 RESID 223 (D): CB 39.570 39.570 40.427 -0.857 RESID 223 (D): H 8.091 8.091 7.986 0.105 RESID 224 (G): N 106.700 106.700 108.857 -2.157 RESID 224 (G): C 176.000 176.000 176.007 -0.007 RESID 224 (G): CA 45.070 45.070 46.319 -1.249 RESID 224 (G): H 7.199 7.199 7.451 -0.252 RESID 225 (T): N 122.400 122.400 117.150 5.250 RESID 225 (T): C 175.700 175.700 175.323 0.377 RESID 225 (T): CA 67.610 67.610 67.859 -0.248 RESID 225 (T): CB 66.840 66.840 68.758 -1.918 RESID 225 (T): H 9.095 9.095 8.756 0.339 RESID 226 (Y): N 121.500 121.500 121.698 -0.198 RESID 226 (Y): C 176.000 176.000 176.911 -0.911 RESID 226 (Y): CA 62.530 62.530 62.302 0.228 RESID 226 (Y): CB 38.410 38.410 38.324 0.086 RESID 226 (Y): H 8.040 8.040 7.645 0.395 RESID 227 (E): N 118.200 118.200 118.716 -0.516 RESID 227 (E): C 178.200 178.200 178.697 -0.497 RESID 227 (E): CA 58.940 58.940 59.482 -0.542 RESID 227 (E): CB 28.810 28.810 29.129 -0.319 RESID 227 (E): H 8.153 8.153 8.593 -0.440 RESID 228 (K): N 119.100 119.100 120.389 -1.289 RESID 228 (K): C 179.500 179.500 179.062 0.438 RESID 228 (K): CA 59.260 59.260 59.492 -0.233 RESID 228 (K): CB 31.520 31.520 32.419 -0.899 RESID 228 (K): H 7.558 7.558 8.383 -0.825 RESID 229 (L): N 119.100 119.100 119.381 -0.281 RESID 229 (L): C 179.300 179.300 178.832 0.468 RESID 229 (L): CA 56.970 56.970 57.719 -0.749 RESID 229 (L): CB 41.520 41.520 41.865 -0.345 RESID 229 (L): H 8.055 8.055 8.070 -0.015 RESID 230 (A): N 121.200 121.200 122.119 -0.919 RESID 230 (A): C 180.500 180.500 179.246 1.254 RESID 230 (A): CA 54.890 54.890 55.534 -0.644 RESID 230 (A): CB 17.570 17.570 17.737 -0.167 RESID 230 (A): H 8.901 8.901 8.334 0.567 RESID 231 (K): N 117.200 117.200 117.979 -0.779 RESID 231 (K): C 177.700 177.700 178.151 -0.451 RESID 231 (K): CA 57.370 57.370 58.776 -1.406 RESID 231 (K): CB 31.330 31.330 32.355 -1.025 RESID 231 (K): H 8.062 8.062 8.075 -0.013 RESID 232 (K): N 117.600 117.600 116.732 0.868 RESID 232 (K): C 176.800 176.800 179.200 -2.400 RESID 232 (K): CA 57.890 57.890 58.645 -0.755 RESID 232 (K): CB 31.150 31.150 32.556 -1.406 RESID 232 (K): H 7.053 7.053 7.453 -0.400 RESID 233 (Y): N 114.000 114.000 117.047 -3.047 RESID 233 (Y): C 175.100 175.100 175.768 -0.668 RESID 233 (Y): CA 58.110 58.110 61.246 -3.136 RESID 233 (Y): CB 39.360 39.360 38.957 0.403 RESID 233 (Y): H 7.013 7.013 8.001 -0.988 RESID 234 (F): N 116.400 116.400 113.434 2.966 RESID 234 (F): C 175.800 175.800 173.435 2.365 RESID 234 (F): CA 54.920 54.920 56.749 -1.829 RESID 234 (F): CB 41.260 41.260 42.825 -1.565 RESID 234 (F): H 8.038 8.038 8.175 -0.137 RESID 235 (D): N 123.000 123.000 120.684 2.316 RESID 235 (D): C 174.500 174.500 175.108 -0.608 RESID 235 (D): CA 52.680 52.680 53.449 -0.769 RESID 235 (D): CB 39.860 39.860 39.813 0.047 RESID 235 (D): H 8.879 8.879 8.641 0.238 RESID 236 (F): N 115.500 115.500 121.996 -6.496 RESID 236 (F): C 173.600 173.600 173.550 0.050 RESID 236 (F): CA 53.950 53.950 56.348 -2.398 RESID 236 (F): CB 39.860 39.860 39.761 0.099 RESID 236 (F): H 6.793 6.793 7.465 -0.672 RESID 237 (D): N 119.700 119.700 122.126 -2.426 RESID 237 (D): C 175.800 175.800 177.095 -1.295 RESID 237 (D): CA 52.980 52.980 52.576 0.404 RESID 237 (D): CB 39.210 39.210 41.827 -2.617 RESID 237 (D): H 8.831 8.831 8.676 0.155 RESID 238 (V): N 129.900 129.900 122.579 7.321 RESID 238 (V): C 175.200 175.200 176.711 -1.511 RESID 238 (V): CA 61.840 61.840 65.085 -3.245 RESID 238 (V): CB 32.500 32.500 31.825 0.675 RESID 238 (V): H 7.376 7.376 8.401 -1.025 RESID 239 (Y): N 123.500 123.500 118.010 5.490 RESID 239 (Y): C 176.500 176.500 178.602 -2.102 RESID 239 (Y): CA 61.920 61.920 60.831 1.089 RESID 239 (Y): CB 38.010 38.010 37.888 0.122 RESID 239 (Y): H 8.314 8.314 8.410 -0.096 RESID 240 (G): N 104.100 104.100 104.520 -0.420 RESID 240 (G): C 174.600 174.600 174.812 -0.212 RESID 240 (G): CA 45.930 45.930 45.420 0.510 RESID 240 (G): H 7.428 7.428 7.967 -0.539 N HA C CA CB H RESID 6 (P): ----- ----- -0.706 -0.620 -0.728 ----- RESID 7 (Q): -0.328 ----- -0.454 -0.653 -0.648 -0.305 RESID 8 (N): 1.996 ----- -0.275 -0.642 -1.444 -0.356 RESID 9 (I): -1.525 ----- -0.159 -0.605 -0.533 -0.736 RESID 10 (R): -0.906 ----- 0.763 -1.458 -0.688 0.920 RESID 11 (I): 3.365 ----- 0.316 0.262 -4.133 0.262 RESID 12 (G): 0.413 ----- -1.484 0.224 ----- 0.878 RESID 13 (T): -1.556 ----- 8.346 -0.340 -1.562 0.776 RESID 14 (D): -0.708 ----- 2.909 -0.421 -1.405 -0.429 RESID 15 (P): ----- ----- -1.012 -1.417 -4.500 ----- RESID 16 (T): 5.449 ----- 0.726 -2.462 -1.172 0.473 RESID 17 (Y): 3.949 ----- -0.436 -1.946 0.184 0.898 RESID 18 (A): 2.404 ----- -0.464 -4.579 -0.193 0.019 RESID 19 (P): ----- ----- -4.315 -2.340 0.187 ----- RESID 20 (F): 7.769 ----- 1.236 2.920 -3.090 -0.170 RESID 21 (E): -2.678 ----- -0.757 -1.094 -5.232 -0.796 RESID 22 (S): 4.130 ----- -0.782 -1.285 -1.204 0.448 RESID 23 (K): -2.156 ----- 2.534 -1.665 -1.729 -0.018 RESID 24 (N): 1.058 ----- 0.940 -1.501 -1.872 -0.052 RESID 25 (S): ----- ----- 0.029 -0.010 -0.169 ----- RESID 26 (Q): -0.178 ----- -0.550 -0.378 -0.471 -0.344 RESID 27 (G): 1.198 ----- -0.283 0.062 ----- 0.368 RESID 28 (E): 1.591 ----- 0.250 -1.384 -0.951 -0.305 RESID 29 (L): 2.404 ----- 0.411 0.466 -2.058 0.001 RESID 30 (V): -3.764 ----- 1.651 -1.761 -0.118 1.069 RESID 31 (G): 0.004 ----- 0.909 -1.324 ----- 1.185 RESID 32 (F): -2.601 ----- 2.008 -0.782 -0.342 0.196 RESID 33 (D): -2.594 ----- 1.063 -0.406 -1.660 1.568 RESID 34 (I): -0.863 ----- 0.270 -3.772 -4.199 -1.189 RESID 35 (D): 0.601 ----- 1.577 -0.354 0.089 0.748 RESID 36 (L): -0.368 ----- 0.507 -0.046 0.651 1.278 RESID 37 (A): -1.548 ----- -0.972 -0.086 -1.119 0.731 RESID 38 (K): -2.937 ----- 0.957 0.519 -0.526 0.615 RESID 39 (E): 2.103 ----- -1.073 -0.892 -1.514 -0.088 RESID 40 (L): 1.087 ----- -0.119 0.216 -1.505 0.708 RESID 41 (C): -2.706 ----- -1.674 -0.341 21.412 -0.045 RESID 42 (K): -0.348 ----- 1.710 -0.621 -0.925 -0.554 RESID 43 (R): 1.581 ----- 0.036 0.327 -0.263 0.450 RESID 44 (I): -5.764 ----- -0.852 -2.150 -1.573 -0.656 RESID 45 (N): 3.090 ----- -0.343 -0.961 0.693 -0.338 RESID 46 (T): 7.059 ----- 0.260 -0.250 -1.372 0.004 RESID 47 (Q): 3.478 ----- 0.821 -0.563 -1.781 -0.307 RESID 48 (C): -0.761 ----- -0.587 -4.730 18.052 0.191 RESID 49 (T): -1.959 ----- 0.174 -1.040 -0.130 -0.534 RESID 50 (F): -2.046 ----- -0.143 0.062 0.391 0.364 RESID 51 (V): 2.649 ----- -0.010 -0.029 -1.686 0.136 RESID 52 (E): -2.049 ----- 1.691 -2.763 -1.049 -0.156 RESID 53 (N): 6.420 ----- -1.810 -0.296 5.677 0.693 RESID 54 (P): ----- ----- -0.189 -0.692 -1.425 ----- RESID 55 (L): 0.039 ----- 0.878 -1.110 0.097 0.303 RESID 56 (D): -3.637 ----- -0.818 -0.782 -0.533 0.120 RESID 57 (A): 0.488 ----- 1.053 -2.189 -0.479 -0.245 RESID 58 (L): 1.239 ----- -0.946 0.887 -1.720 -0.298 RESID 59 (I): -0.044 ----- 1.202 2.232 -0.589 1.309 RESID 60 (P): ----- ----- 0.829 -0.641 -1.270 ----- RESID 61 (S): -0.134 ----- -1.188 0.327 ----- -0.376 RESID 62 (L): 3.098 ----- 2.038 -0.313 0.041 0.090 RESID 63 (K): 1.955 ----- 0.069 0.333 -1.702 0.683 RESID 64 (A): -0.010 ----- -0.477 -0.302 -0.426 -0.290 RESID 65 (K): -1.786 ----- -0.498 -0.197 -2.191 0.073 RESID 66 (K): 2.866 ----- -0.513 -1.250 -0.846 0.637 RESID 67 (I): -4.996 ----- -1.380 0.018 -0.575 -0.206 RESID 68 (D): -2.972 ----- -3.565 0.212 1.590 1.298 RESID 69 (A): -0.842 ----- 1.050 -1.042 -0.204 -0.032 RESID 70 (I): -0.334 ----- 0.170 -0.605 0.186 1.355 RESID 71 (M): -0.796 ----- -1.294 -2.045 -0.192 0.203 RESID 72 (S): 1.454 ----- -0.753 0.619 -0.561 0.118 RESID 73 (S): 5.493 ----- -0.018 -0.958 0.103 -0.079 RESID 74 (L): -2.972 ----- -0.788 -1.336 -0.489 1.191 RESID 75 (S): 2.215 ----- 0.842 2.123 -1.715 0.279 RESID 76 (I): 9.642 ----- 0.892 1.804 -3.888 0.075 RESID 77 (T): 3.100 ----- -0.272 -2.224 -0.739 -1.018 RESID 78 (E): -0.385 ----- 1.609 -1.720 -0.644 0.024 RESID 79 (K): 0.092 ----- 1.569 -0.290 -0.691 0.051 RESID 80 (R): -0.361 ----- 0.144 0.367 0.312 0.275 RESID 81 (Q): -0.785 ----- -2.238 -1.660 0.345 0.080 RESID 82 (Q): -2.545 ----- -0.479 -1.191 -0.508 -0.599 RESID 83 (E): -2.165 ----- -0.904 -1.435 1.901 -0.303 RESID 84 (I): 3.223 ----- -1.339 0.489 -0.688 0.311 RESID 85 (A): 0.218 ----- -0.264 -1.128 0.878 0.263 RESID 86 (F): -3.658 ----- 2.974 -1.052 0.264 -0.332 RESID 87 (T): -6.768 ----- 0.904 0.768 2.667 -0.494 RESID 88 (D): -2.018 ----- -1.334 -0.752 1.057 -0.015 RESID 89 (K): 1.477 ----- -0.501 -1.698 0.330 -0.025 RESID 90 (L): -2.976 ----- 0.277 -2.857 -1.591 0.041 RESID 91 (Y): 0.535 ----- -1.086 0.545 -2.880 -0.370 RESID 92 (A): 0.569 ----- -1.196 0.818 0.739 -0.966 RESID 93 (A): -0.797 ----- -0.967 0.348 -0.042 0.278 RESID 94 (D): 1.208 ----- -0.827 -1.231 -0.230 0.761 RESID 95 (S): -1.898 ----- -1.460 0.446 -0.084 -1.034 RESID 96 (R): 4.545 ----- -0.160 1.577 -0.283 0.411 RESID 97 (L): -0.975 ----- 1.683 0.384 -1.796 1.317 RESID 98 (V): 1.256 ----- 0.664 0.889 0.633 1.499 RESID 99 (V): -3.884 ----- 0.663 -0.635 1.020 1.069 RESID 100 (A): 0.926 ----- 0.832 2.047 -1.965 0.621 RESID 101 (K): -4.056 ----- -0.185 0.383 -0.481 -1.072 RESID 102 (N): -1.242 ----- 0.251 -2.254 -1.584 -0.222 RESID 103 (S): 0.069 ----- 2.729 0.710 0.404 0.053 RESID 104 (D): -0.819 ----- 1.729 -0.976 -0.593 0.002 RESID 105 (I): -1.155 ----- -0.677 3.206 -3.015 -0.328 RESID 106 (Q): -0.499 ----- 0.714 -0.624 1.979 -0.179 RESID 107 (P): ----- ----- -0.479 -1.811 -3.890 ----- RESID 108 (T): -3.050 ----- -0.386 -3.881 -1.088 0.794 RESID 109 (V): -1.758 ----- 0.371 0.835 -2.191 0.284 RESID 110 (E): -3.913 ----- -0.247 -0.877 -0.878 0.033 RESID 111 (S): -0.231 ----- 0.584 -1.616 1.210 -1.050 RESID 112 (L): -4.303 ----- 0.009 -0.786 0.090 0.354 RESID 113 (K): 1.747 ----- 0.711 0.615 -1.380 -0.307 RESID 114 (G): 0.955 ----- -0.598 -0.098 ----- 0.104 RESID 115 (K): -1.128 ----- -1.298 -1.056 -1.312 0.643 RESID 116 (R): -1.459 ----- 0.560 -0.937 0.422 1.033 RESID 117 (V): 3.006 ----- 0.361 -0.120 -1.970 0.592 RESID 118 (G): 0.341 ----- -0.213 1.410 ----- 1.288 RESID 119 (V): -5.826 ----- 0.096 -2.174 -0.633 -0.148 RESID 120 (L): 0.319 ----- 1.225 -0.256 -1.514 0.127 RESID 121 (Q): 0.868 ----- -0.353 -0.383 -1.606 0.306 RESID 122 (G): -0.027 ----- 1.552 -0.224 ----- 0.562 RESID 123 (T): -1.688 ----- 2.392 0.282 2.852 -0.512 RESID 124 (T): 1.362 ----- 1.574 -0.634 -0.984 0.270 RESID 125 (Q): -1.837 ----- 0.226 1.897 -2.737 -0.748 RESID 126 (E): 2.122 ----- -1.290 -0.201 -0.906 -0.093 RESID 127 (T): 1.582 ----- -0.149 -0.491 -1.139 0.563 RESID 128 (F): -0.050 ----- 0.472 0.864 -0.122 0.303 RESID 129 (G): -0.125 ----- -0.371 -0.524 ----- -0.256 RESID 130 (N): 4.564 ----- 0.374 0.068 -0.626 0.349 RESID 131 (E): 2.260 ----- 0.805 1.233 -1.409 0.430 RESID 132 (H): -6.058 ----- 0.335 -1.899 0.695 0.006 RESID 133 (W): 1.827 ----- 0.607 -0.977 0.692 0.150 RESID 134 (A): 0.759 ----- 0.475 0.793 -0.815 1.172 RESID 135 (P): ----- ----- -0.212 0.322 -0.192 ----- RESID 136 (K): -0.470 ----- -1.137 -2.400 -0.633 -0.466 RESID 137 (G): -2.266 ----- 0.768 0.373 ----- 0.198 RESID 138 (I): 5.021 ----- -0.371 0.367 -1.771 -0.584 RESID 139 (E): 1.176 ----- -1.193 0.450 -1.723 -0.100 RESID 140 (I): 7.876 ----- 1.362 -1.904 -6.193 0.289 RESID 141 (V): 7.969 ----- -0.034 -0.084 -3.888 0.279 RESID 142 (S): 2.676 ----- 1.405 0.553 -0.196 0.131 RESID 143 (Y): -2.520 ----- -0.530 -0.355 0.913 -0.349 RESID 144 (Q): -0.222 ----- 1.036 0.581 -1.440 0.242 RESID 145 (G): -0.510 ----- -0.660 -0.006 ----- -0.325 RESID 146 (Q): 1.461 ----- -0.152 -1.002 -0.432 0.091 RESID 147 (D): -0.538 ----- 0.419 -0.232 -0.848 -0.038 RESID 148 (N): -0.212 ----- -0.639 -0.429 0.609 -1.073 RESID 149 (I): 0.004 ----- -0.108 -0.634 -1.696 -0.316 RESID 150 (Y): -0.814 ----- 0.732 -1.939 -1.672 -0.496 RESID 151 (S): 2.072 ----- -0.013 -0.391 -0.110 -0.064 RESID 152 (D): -0.939 ----- 0.647 -0.300 -2.126 -0.178 RESID 153 (L): 2.920 ----- 1.743 0.616 -0.193 0.506 RESID 154 (T): -1.567 ----- 1.346 -1.492 -0.316 0.055 RESID 155 (A): 1.732 ----- 0.178 -0.662 -0.448 0.376 RESID 156 (G): 0.685 ----- -0.246 0.251 ----- -0.104 RESID 157 (R): -0.190 ----- 0.896 -0.324 -0.380 0.264 RESID 158 (I): -3.873 ----- -0.585 0.691 -1.030 -0.006 RESID 159 (D): -4.655 ----- -0.951 -0.410 1.904 0.197 RESID 160 (A): -0.041 ----- 0.583 -1.294 1.685 0.540 RESID 161 (A): 1.606 ----- -0.198 -0.528 -0.506 0.915 RESID 162 (F): 2.558 ----- -2.093 -3.739 0.576 0.563 RESID 163 (Q): 1.224 ----- -0.293 -0.082 1.246 -0.419 RESID 164 (D): 1.032 ----- -1.430 1.060 0.332 -0.131 RESID 165 (E): 5.647 ----- -0.400 0.110 0.208 -0.152 RESID 166 (V): 1.285 ----- 1.037 0.127 -0.171 0.579 RESID 167 (A): 3.166 ----- 3.425 0.298 -0.122 0.766 RESID 168 (A): -0.862 ----- 0.088 -0.370 0.331 0.462 RESID 169 (S): -1.025 ----- -0.495 -1.511 0.373 -0.064 RESID 170 (E): -4.106 ----- 1.757 -0.277 0.712 1.035 RESID 171 (G): -0.972 ----- -1.215 -0.223 ----- 0.816 RESID 172 (F): -2.405 ----- -2.490 -0.484 1.648 -1.026 RESID 173 (L): 0.056 ----- 0.710 0.804 -1.817 0.941 RESID 174 (K): -1.843 ----- 0.540 -0.825 -0.892 0.451 RESID 175 (Q): 1.704 ----- 2.049 0.299 -3.021 -0.123 RESID 176 (P): ----- ----- 1.971 0.678 -0.803 ----- RESID 177 (V): -4.998 ----- -1.995 -3.083 0.087 -0.203 RESID 178 (G): 3.930 ----- 0.211 -2.175 ----- -0.742 RESID 179 (K): 1.809 ----- -0.555 -0.096 -1.028 -0.451 RESID 180 (D): -0.084 ----- -1.975 -1.954 -1.666 0.593 RESID 181 (Y): 5.520 ----- -1.190 0.165 -0.465 0.309 RESID 182 (K): -1.866 ----- 0.620 -2.115 2.248 0.662 RESID 183 (F): -3.212 ----- 2.667 -1.123 -4.641 0.345 RESID 184 (G): 4.690 ----- -1.566 1.979 ----- 0.292 RESID 185 (G): 2.209 ----- -1.750 -0.926 ----- -0.551 RESID 186 (P): ----- ----- -0.692 -2.498 0.776 ----- RESID 187 (S): -6.025 ----- -0.192 0.512 -2.549 0.106 RESID 188 (V): 1.060 ----- 0.175 0.059 -1.488 1.149 RESID 189 (K): 3.296 ----- 2.625 -1.570 -0.644 -0.044 RESID 190 (D): -1.768 ----- -1.585 2.150 2.182 0.549 RESID 191 (E): 2.520 ----- -0.266 0.870 -1.107 0.390 RESID 192 (K): -1.283 ----- 0.153 -0.781 -0.452 -0.862 RESID 193 (L): 0.181 ----- 0.052 -1.156 0.270 1.222 RESID 194 (F): 3.327 ----- 2.358 -2.779 -2.499 0.730 RESID 195 (G): -1.963 ----- -0.371 -0.803 ----- -0.137 RESID 196 (V): -11.483 ----- -0.521 -3.294 -1.526 -0.269 RESID 197 (G): 2.928 ----- 0.287 -2.070 ----- 0.534 RESID 198 (T): -4.160 ----- -0.352 -0.244 -0.244 -0.148 RESID 199 (G): -4.274 ----- -0.470 -1.787 ----- 0.073 RESID 200 (M): 1.981 ----- 0.165 0.414 -2.201 -0.265 RESID 201 (G): 1.817 ----- -0.655 0.241 ----- 0.376 RESID 202 (L): -0.159 ----- 0.071 0.904 -0.043 0.089 RESID 203 (R): 1.476 ----- 2.485 1.659 -1.635 2.133 RESID 204 (K): -1.189 ----- 0.537 -0.097 -0.308 0.564 RESID 205 (E): -3.313 ----- -0.197 -0.993 -1.132 0.802 RESID 206 (D): 5.126 ----- 0.802 0.058 -1.163 -0.776 RESID 207 (N): -0.354 ----- -0.110 0.503 -0.072 -0.875 RESID 208 (E): 1.520 ----- 1.430 0.889 -1.812 0.438 RESID 209 (L): 2.462 ----- -1.110 -0.150 -1.180 0.508 RESID 210 (R): 0.328 ----- -0.819 0.226 0.085 -0.746 RESID 211 (E): -3.064 ----- 1.268 -0.114 -0.994 0.524 RESID 212 (A): 0.807 ----- 1.643 0.086 -0.963 0.485 RESID 213 (L): 1.608 ----- -1.215 -0.490 0.235 0.289 RESID 214 (N): 2.734 ----- 1.851 -0.611 -0.807 0.092 RESID 215 (K): 2.462 ----- -0.116 -0.316 -0.746 -0.381 RESID 216 (A): 0.432 ----- -0.010 -0.740 0.433 -0.298 RESID 217 (F): -0.641 ----- 0.219 1.067 -1.076 0.577 RESID 218 (A): 0.082 ----- 2.421 -0.401 -1.339 -0.216 RESID 219 (E): 0.973 ----- -0.403 -0.260 -1.162 0.105 RESID 220 (M): 2.719 ----- 0.474 -2.056 0.165 0.115 RESID 221 (R): 0.798 ----- 0.409 -0.239 -2.386 0.232 RESID 222 (A): 0.396 ----- 0.365 -0.450 -0.519 0.101 RESID 223 (D): 0.423 ----- 0.632 -0.123 -0.857 0.105 RESID 224 (G): -2.157 ----- -0.007 -1.249 ----- -0.252 RESID 225 (T): 5.250 ----- 0.377 -0.248 -1.918 0.339 RESID 226 (Y): -0.198 ----- -0.911 0.228 0.086 0.395 RESID 227 (E): -0.516 ----- -0.497 -0.542 -0.319 -0.440 RESID 228 (K): -1.289 ----- 0.438 -0.233 -0.899 -0.825 RESID 229 (L): -0.281 ----- 0.468 -0.749 -0.345 -0.015 RESID 230 (A): -0.919 ----- 1.254 -0.644 -0.167 0.567 RESID 231 (K): -0.779 ----- -0.451 -1.406 -1.025 -0.013 RESID 232 (K): 0.868 ----- -2.400 -0.755 -1.406 -0.400 RESID 233 (Y): -3.047 ----- -0.668 -3.136 0.403 -0.988 RESID 234 (F): 2.966 ----- 2.365 -1.829 -1.565 -0.137 RESID 235 (D): 2.316 ----- -0.608 -0.769 0.047 0.238 RESID 236 (F): -6.496 ----- 0.050 -2.398 0.099 -0.672 RESID 237 (D): -2.426 ----- -1.295 0.404 -2.617 0.155 RESID 238 (V): 7.321 ----- -1.511 -3.245 0.675 -1.025 RESID 239 (Y): 5.490 ----- -2.102 1.089 0.122 -0.096 RESID 240 (G): -0.420 ----- -0.212 0.510 ----- -0.539 DATA CS_STAT_INFO N RMS: 2.920 ppm Count: 226 Average Difference: -0.183 +/- 2.921 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.283 ppm Count: 236 Average Difference: -0.114 +/- 1.281 ppm DATA CS_STAT_INFO CA RMS: 1.337 ppm Count: 236 Average Difference: 0.520 +/- 1.235 ppm DATA CS_STAT_INFO CB RMS: 2.465 ppm Count: 215 Average Difference: 0.517 +/- 2.416 ppm DATA CS_STAT_INFO HN RMS: 0.587 ppm Count: 226 Average Difference: -0.121 +/- 0.576 ppm ############################################################################ For conformer 7: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.269 0.031 RESID 5 (I): C 174.300 174.300 174.340 -0.040 RESID 5 (I): CA 57.710 57.710 59.782 -2.072 RESID 5 (I): CB 37.260 37.260 37.775 -0.515 RESID 5 (I): H 7.868 7.868 8.232 -0.364 RESID 6 (P): C 176.100 176.100 176.798 -0.698 RESID 6 (P): CA 62.180 62.180 62.792 -0.612 RESID 6 (P): CB 31.620 31.620 32.349 -0.729 RESID 7 (Q): N 119.200 119.200 119.553 -0.353 RESID 7 (Q): C 175.600 175.600 176.004 -0.404 RESID 7 (Q): CA 57.190 57.190 57.857 -0.667 RESID 7 (Q): CB 28.500 28.500 29.138 -0.638 RESID 7 (Q): H 8.380 8.380 8.681 -0.301 RESID 8 (N): N 116.300 116.300 114.445 1.855 RESID 8 (N): C 173.600 173.600 173.913 -0.313 RESID 8 (N): CA 51.720 51.720 52.367 -0.647 RESID 8 (N): CB 40.540 40.540 41.847 -1.307 RESID 8 (N): H 7.472 7.472 7.801 -0.329 RESID 9 (I): N 121.000 121.000 123.417 -2.417 RESID 9 (I): C 174.700 174.700 174.884 -0.184 RESID 9 (I): CA 59.480 59.480 60.199 -0.719 RESID 9 (I): CB 39.740 39.740 39.573 0.167 RESID 9 (I): H 8.416 8.416 9.164 -0.748 RESID 10 (R): N 126.500 126.500 127.800 -1.300 RESID 10 (R): C 175.800 175.800 175.056 0.744 RESID 10 (R): CA 53.950 53.950 55.714 -1.764 RESID 10 (R): CB 30.670 30.670 30.921 -0.251 RESID 10 (R): H 9.098 9.098 8.751 0.347 RESID 11 (I): N 127.500 127.500 124.242 3.258 RESID 11 (I): C 175.600 175.600 175.285 0.315 RESID 11 (I): CA 59.480 59.480 59.379 0.101 RESID 11 (I): CB 37.460 37.460 41.465 -4.005 RESID 11 (I): H 9.279 9.279 9.007 0.272 RESID 12 (G): N 114.800 114.800 114.291 0.509 RESID 12 (G): C 171.700 171.700 172.966 -1.266 RESID 12 (G): CA 44.540 44.540 44.290 0.250 RESID 12 (G): H 9.382 9.382 8.591 0.791 RESID 13 (T): N 120.600 120.600 121.576 -0.976 RESID 13 (T): C 181.600 181.600 173.035 8.565 RESID 13 (T): CA 61.470 61.470 62.089 -0.619 RESID 13 (T): CB 69.970 69.970 71.827 -1.857 RESID 13 (T): H 8.594 8.594 8.008 0.586 RESID 14 (D): N 127.000 127.000 127.735 -0.735 RESID 14 (D): C 177.500 177.500 174.633 2.867 RESID 14 (D): CA 49.760 49.760 50.268 -0.508 RESID 14 (D): CB 40.580 40.580 42.346 -1.766 RESID 14 (D): H 8.200 8.200 8.679 -0.479 RESID 15 (P): C 175.400 175.400 176.521 -1.121 RESID 15 (P): CA 61.920 61.920 63.311 -1.391 RESID 15 (P): CB 27.890 27.890 32.358 -4.468 RESID 16 (T): N 116.200 116.200 110.772 5.428 RESID 16 (T): C 174.000 174.000 173.238 0.762 RESID 16 (T): CA 59.560 59.560 62.051 -2.491 RESID 16 (T): CB 68.650 68.650 69.836 -1.186 RESID 16 (T): H 8.739 8.739 8.312 0.428 RESID 17 (Y): N 125.800 125.800 121.813 3.987 RESID 17 (Y): C 175.200 175.200 175.653 -0.453 RESID 17 (Y): CA 54.180 54.180 56.161 -1.981 RESID 17 (Y): CB 38.700 38.700 38.565 0.135 RESID 17 (Y): H 8.943 8.943 8.075 0.868 RESID 18 (A): N 132.100 132.100 129.684 2.416 RESID 18 (A): C 176.000 176.000 176.461 -0.461 RESID 18 (A): CA 51.490 51.490 56.050 -4.560 RESID 18 (A): CB 16.070 16.070 16.244 -0.174 RESID 18 (A): H 8.945 8.945 8.923 0.022 RESID 19 (P): C 173.500 173.500 177.834 -4.334 RESID 19 (P): CA 62.890 62.890 65.245 -2.355 RESID 19 (P): CB 31.790 31.790 31.600 0.190 RESID 20 (F): N 125.100 125.100 117.400 7.700 RESID 20 (F): C 176.700 176.700 175.103 1.597 RESID 20 (F): CA 62.420 62.420 59.696 2.724 RESID 20 (F): CB 37.980 37.980 41.018 -3.038 RESID 20 (F): H 8.117 8.117 8.242 -0.125 RESID 21 (E): N 111.800 111.800 114.546 -2.746 RESID 21 (E): C 173.600 173.600 174.438 -0.838 RESID 21 (E): CA 54.400 54.400 55.204 -0.804 RESID 21 (E): CB 28.770 28.770 34.166 -5.396 RESID 21 (E): H 7.701 7.701 8.461 -0.760 RESID 22 (S): N 117.200 117.200 113.096 4.104 RESID 22 (S): C 171.500 171.500 172.278 -0.778 RESID 22 (S): CA 57.290 57.290 58.586 -1.296 RESID 22 (S): CB 62.940 62.940 64.125 -1.185 RESID 22 (S): H 8.750 8.750 8.299 0.451 RESID 23 (K): N 117.400 117.400 119.404 -2.004 RESID 23 (K): C 177.600 177.600 175.050 2.550 RESID 23 (K): CA 53.700 53.700 55.349 -1.649 RESID 23 (K): CB 33.330 33.330 35.209 -1.879 RESID 23 (K): H 8.238 8.238 8.241 -0.003 RESID 24 (N): N 122.400 122.400 120.875 1.525 RESID 24 (N): C 178.000 178.000 177.020 0.980 RESID 24 (N): CA 50.600 50.600 51.820 -1.220 RESID 24 (N): CB 38.140 38.140 40.135 -1.995 RESID 24 (N): H 8.584 8.584 8.571 0.013 RESID 25 (S): C 175.400 175.400 175.436 -0.036 RESID 25 (S): CA 60.970 60.970 60.926 0.044 RESID 25 (S): CB 62.410 62.410 62.526 -0.116 RESID 26 (Q): N 119.300 119.300 119.487 -0.187 RESID 26 (Q): C 176.200 176.200 176.806 -0.606 RESID 26 (Q): CA 55.180 55.180 55.689 -0.509 RESID 26 (Q): CB 28.260 28.260 28.699 -0.439 RESID 26 (Q): H 7.520 7.520 8.427 -0.907 RESID 27 (G): N 108.800 108.800 107.505 1.295 RESID 27 (G): C 173.700 173.700 173.969 -0.269 RESID 27 (G): CA 45.050 45.050 45.003 0.047 RESID 27 (G): H 8.169 8.169 7.747 0.422 RESID 28 (E): N 121.200 121.200 119.555 1.645 RESID 28 (E): C 175.800 175.800 175.598 0.202 RESID 28 (E): CA 54.490 54.490 55.880 -1.390 RESID 28 (E): CB 29.750 29.750 30.693 -0.943 RESID 28 (E): H 7.836 7.836 8.133 -0.297 RESID 29 (L): N 123.500 123.500 121.227 2.273 RESID 29 (L): C 176.400 176.400 176.019 0.381 RESID 29 (L): CA 54.310 54.310 53.870 0.440 RESID 29 (L): CB 41.180 41.180 43.126 -1.946 RESID 29 (L): H 8.281 8.281 8.289 -0.008 RESID 30 (V): N 118.200 118.200 122.383 -4.183 RESID 30 (V): C 175.300 175.300 173.583 1.717 RESID 30 (V): CA 58.360 58.360 60.106 -1.746 RESID 30 (V): CB 36.080 36.080 35.980 0.100 RESID 30 (V): H 8.900 8.900 7.872 1.028 RESID 31 (G): N 109.800 109.800 110.458 -0.658 RESID 31 (G): C 174.400 174.400 173.486 0.914 RESID 31 (G): CA 43.830 43.830 45.224 -1.394 RESID 31 (G): H 8.611 8.611 7.495 1.116 RESID 32 (F): N 119.900 119.900 122.590 -2.690 RESID 32 (F): C 177.900 177.900 175.886 2.014 RESID 32 (F): CA 59.800 59.800 60.568 -0.768 RESID 32 (F): CB 38.950 38.950 39.271 -0.321 RESID 32 (F): H 8.295 8.295 8.154 0.141 RESID 33 (D): N 116.500 116.500 119.110 -2.610 RESID 33 (D): C 179.100 179.100 178.040 1.060 RESID 33 (D): CA 56.180 56.180 56.599 -0.418 RESID 33 (D): CB 38.610 38.610 40.248 -1.638 RESID 33 (D): H 8.935 8.935 7.311 1.624 RESID 34 (I): N 118.800 118.800 119.668 -0.868 RESID 34 (I): C 178.000 178.000 177.729 0.271 RESID 34 (I): CA 60.950 60.950 64.739 -3.788 RESID 34 (I): CB 33.620 33.620 37.813 -4.193 RESID 34 (I): H 6.535 6.535 7.723 -1.188 RESID 35 (D): N 121.000 121.000 120.387 0.613 RESID 35 (D): C 180.300 180.300 178.681 1.619 RESID 35 (D): CA 57.100 57.100 57.413 -0.312 RESID 35 (D): CB 40.420 40.420 40.277 0.143 RESID 35 (D): H 8.536 8.536 7.779 0.757 RESID 36 (L): N 120.500 120.500 120.866 -0.366 RESID 36 (L): C 178.500 178.500 177.990 0.510 RESID 36 (L): CA 57.720 57.720 57.775 -0.055 RESID 36 (L): CB 42.230 42.230 41.570 0.660 RESID 36 (L): H 8.508 8.508 7.216 1.292 RESID 37 (A): N 120.200 120.200 121.848 -1.648 RESID 37 (A): C 178.600 178.600 179.551 -0.951 RESID 37 (A): CA 55.170 55.170 55.290 -0.120 RESID 37 (A): CB 17.340 17.340 18.447 -1.107 RESID 37 (A): H 8.383 8.383 7.639 0.744 RESID 38 (K): N 116.400 116.400 119.327 -2.927 RESID 38 (K): C 180.100 180.100 179.158 0.942 RESID 38 (K): CA 60.530 60.530 59.985 0.545 RESID 38 (K): CB 31.840 31.840 32.354 -0.514 RESID 38 (K): H 8.780 8.780 8.160 0.620 RESID 39 (E): N 121.500 121.500 119.342 2.158 RESID 39 (E): C 178.300 178.300 179.378 -1.078 RESID 39 (E): CA 58.430 58.430 59.323 -0.893 RESID 39 (E): CB 27.990 27.990 29.506 -1.516 RESID 39 (E): H 7.692 7.692 7.792 -0.100 RESID 40 (L): N 121.500 121.500 120.393 1.107 RESID 40 (L): C 178.700 178.700 178.828 -0.128 RESID 40 (L): CA 58.490 58.490 58.289 0.201 RESID 40 (L): CB 40.250 40.250 41.737 -1.487 RESID 40 (L): H 8.563 8.563 7.898 0.665 RESID 41 (C): N 115.700 115.700 118.488 -2.788 RESID 41 (C): C 175.800 175.800 177.479 -1.679 RESID 41 (C): CA 62.390 62.390 62.760 -0.370 RESID 41 (C): CB 46.860 46.860 25.449 21.411 RESID 41 (C): H 8.598 8.598 8.675 -0.077 RESID 42 (K): N 119.300 119.300 119.581 -0.281 RESID 42 (K): C 180.800 180.800 179.165 1.635 RESID 42 (K): CA 58.810 58.810 59.452 -0.642 RESID 42 (K): CB 31.430 31.430 32.349 -0.919 RESID 42 (K): H 7.490 7.490 8.056 -0.566 RESID 43 (R): N 119.500 119.500 118.088 1.412 RESID 43 (R): C 178.700 178.700 178.670 0.030 RESID 43 (R): CA 58.760 58.760 58.457 0.303 RESID 43 (R): CB 29.980 29.980 30.213 -0.233 RESID 43 (R): H 8.057 8.057 7.572 0.485 RESID 44 (I): N 111.800 111.800 117.549 -5.749 RESID 44 (I): C 175.000 175.000 175.824 -0.824 RESID 44 (I): CA 60.940 60.940 63.093 -2.152 RESID 44 (I): CB 36.630 36.630 38.173 -1.543 RESID 44 (I): H 7.765 7.765 8.465 -0.700 RESID 45 (N): N 118.800 118.800 115.683 3.117 RESID 45 (N): C 173.600 173.600 173.944 -0.344 RESID 45 (N): CA 53.670 53.670 54.624 -0.954 RESID 45 (N): CB 36.620 36.620 35.907 0.713 RESID 45 (N): H 7.752 7.752 8.045 -0.293 RESID 46 (T): N 112.800 112.800 105.650 7.150 RESID 46 (T): C 173.100 173.100 172.811 0.289 RESID 46 (T): CA 60.020 60.020 60.319 -0.299 RESID 46 (T): CB 70.500 70.500 71.830 -1.330 RESID 46 (T): H 7.920 7.920 7.953 -0.033 RESID 47 (Q): N 123.500 123.500 119.944 3.556 RESID 47 (Q): C 175.400 175.400 174.573 0.827 RESID 47 (Q): CA 54.550 54.550 55.070 -0.520 RESID 47 (Q): CB 28.670 28.670 30.589 -1.919 RESID 47 (Q): H 8.037 8.037 8.283 -0.246 RESID 48 (C): N 123.800 123.800 124.173 -0.373 RESID 48 (C): C 173.800 173.800 174.455 -0.655 RESID 48 (C): CA 53.170 53.170 57.814 -4.644 RESID 48 (C): CB 47.290 47.290 29.473 17.817 RESID 48 (C): H 8.881 8.881 8.668 0.213 RESID 49 (T): N 118.600 118.600 120.555 -1.955 RESID 49 (T): C 172.700 172.700 172.533 0.167 RESID 49 (T): CA 60.210 60.210 61.243 -1.033 RESID 49 (T): CB 70.980 70.980 71.096 -0.115 RESID 49 (T): H 8.324 8.324 8.844 -0.520 RESID 50 (F): N 123.800 123.800 125.904 -2.104 RESID 50 (F): C 175.800 175.800 175.926 -0.126 RESID 50 (F): CA 57.370 57.370 57.339 0.031 RESID 50 (F): CB 40.730 40.730 40.271 0.459 RESID 50 (F): H 8.982 8.982 8.605 0.377 RESID 51 (V): N 126.300 126.300 123.780 2.520 RESID 51 (V): C 174.700 174.700 174.734 -0.034 RESID 51 (V): CA 60.650 60.650 60.662 -0.012 RESID 51 (V): CB 33.700 33.700 35.391 -1.691 RESID 51 (V): H 9.271 9.271 9.064 0.207 RESID 52 (E): N 126.900 126.900 129.001 -2.101 RESID 52 (E): C 176.900 176.900 175.244 1.656 RESID 52 (E): CA 54.480 54.480 57.252 -2.772 RESID 52 (E): CB 29.350 29.350 30.371 -1.021 RESID 52 (E): H 8.617 8.617 8.772 -0.155 RESID 53 (N): N 127.100 127.100 120.922 6.178 RESID 53 (N): C 170.600 170.600 172.410 -1.810 RESID 53 (N): CA 51.220 51.220 51.369 -0.149 RESID 53 (N): CB 43.980 43.980 38.407 5.573 RESID 53 (N): H 8.917 8.917 8.234 0.683 RESID 54 (P): C 178.600 178.600 178.758 -0.158 RESID 54 (P): CA 61.650 61.650 62.361 -0.711 RESID 54 (P): CB 31.460 31.460 32.896 -1.436 RESID 55 (L): N 124.200 124.200 124.213 -0.013 RESID 55 (L): C 179.600 179.600 178.716 0.884 RESID 55 (L): CA 58.130 58.130 59.218 -1.088 RESID 55 (L): CB 41.470 41.470 41.391 0.079 RESID 55 (L): H 9.096 9.096 8.786 0.310 RESID 56 (D): N 115.400 115.400 118.993 -3.593 RESID 56 (D): C 176.500 176.500 177.320 -0.820 RESID 56 (D): CA 56.080 56.080 56.855 -0.774 RESID 56 (D): CB 39.640 39.640 40.183 -0.543 RESID 56 (D): H 8.651 8.651 8.532 0.119 RESID 57 (A): N 120.400 120.400 119.913 0.487 RESID 57 (A): C 180.000 180.000 178.955 1.045 RESID 57 (A): CA 51.440 51.440 53.607 -2.167 RESID 57 (A): CB 19.170 19.170 19.648 -0.478 RESID 57 (A): H 8.079 8.079 8.332 -0.253 RESID 58 (L): N 122.300 122.300 121.179 1.121 RESID 58 (L): C 177.800 177.800 178.767 -0.967 RESID 58 (L): CA 58.960 58.960 58.103 0.857 RESID 58 (L): CB 40.150 40.150 41.907 -1.757 RESID 58 (L): H 7.783 7.783 8.065 -0.282 RESID 59 (I): N 119.600 119.600 119.492 0.108 RESID 59 (I): C 176.400 176.400 175.133 1.267 RESID 59 (I): CA 68.170 68.170 66.547 1.623 RESID 59 (I): CB 33.980 33.980 34.702 -0.722 RESID 59 (I): H 9.094 9.094 7.705 1.389 RESID 60 (P): C 180.100 180.100 179.218 0.882 RESID 60 (P): CA 65.890 65.890 66.488 -0.598 RESID 60 (P): CB 29.980 29.980 31.260 -1.280 RESID 61 (S): N 114.800 114.800 114.948 -0.148 RESID 61 (S): C 175.500 175.500 176.677 -1.177 RESID 61 (S): CA 62.170 62.170 61.852 0.318 RESID 61 (S): H 7.865 7.865 8.233 -0.368 RESID 62 (L): N 126.200 126.200 123.074 3.126 RESID 62 (L): C 181.000 181.000 179.039 1.961 RESID 62 (L): CA 57.400 57.400 57.729 -0.329 RESID 62 (L): CB 41.820 41.820 41.815 0.006 RESID 62 (L): H 8.296 8.296 8.093 0.203 RESID 63 (K): N 121.000 121.000 119.162 1.838 RESID 63 (K): C 178.000 178.000 178.229 -0.229 RESID 63 (K): CA 59.500 59.500 59.261 0.239 RESID 63 (K): CB 30.770 30.770 32.465 -1.695 RESID 63 (K): H 8.461 8.461 7.746 0.715 RESID 64 (A): N 118.700 118.700 118.534 0.166 RESID 64 (A): C 176.200 176.200 176.658 -0.458 RESID 64 (A): CA 51.680 51.680 51.918 -0.238 RESID 64 (A): CB 18.140 18.140 18.452 -0.312 RESID 64 (A): H 7.686 7.686 7.891 -0.205 RESID 65 (K): N 112.200 112.200 113.994 -1.794 RESID 65 (K): C 176.000 176.000 176.459 -0.459 RESID 65 (K): CA 57.800 57.800 57.974 -0.174 RESID 65 (K): CB 27.730 27.730 29.887 -2.157 RESID 65 (K): H 7.751 7.751 7.701 0.050 RESID 66 (K): N 118.300 118.300 115.440 2.860 RESID 66 (K): C 176.600 176.600 177.151 -0.551 RESID 66 (K): CA 57.200 57.200 58.473 -1.273 RESID 66 (K): CB 32.170 32.170 33.014 -0.844 RESID 66 (K): H 8.415 8.415 7.828 0.587 RESID 67 (I): N 107.500 107.500 112.609 -5.109 RESID 67 (I): C 174.000 174.000 175.411 -1.411 RESID 67 (I): CA 59.050 59.050 59.056 -0.006 RESID 67 (I): CB 40.470 40.470 41.018 -0.548 RESID 67 (I): H 7.034 7.034 7.267 -0.233 RESID 68 (D): N 119.000 119.000 122.397 -3.397 RESID 68 (D): C 172.200 172.200 175.942 -3.742 RESID 68 (D): CA 55.560 55.560 55.328 0.232 RESID 68 (D): CB 44.210 44.210 42.493 1.717 RESID 68 (D): H 9.739 9.739 8.528 1.211 RESID 69 (A): N 117.400 117.400 118.318 -0.918 RESID 69 (A): C 175.900 175.900 174.817 1.083 RESID 69 (A): CA 50.120 50.120 51.194 -1.074 RESID 69 (A): CB 21.960 21.960 22.138 -0.178 RESID 69 (A): H 7.660 7.660 7.750 -0.090 RESID 70 (I): N 120.500 120.500 120.863 -0.363 RESID 70 (I): C 174.500 174.500 174.473 0.027 RESID 70 (I): CA 60.060 60.060 60.638 -0.578 RESID 70 (I): CB 41.190 41.190 40.929 0.260 RESID 70 (I): H 9.402 9.402 8.077 1.325 RESID 71 (M): N 128.300 128.300 128.705 -0.405 RESID 71 (M): C 172.500 172.500 173.992 -1.492 RESID 71 (M): CA 53.040 53.040 55.041 -2.001 RESID 71 (M): CB 33.940 33.940 34.202 -0.262 RESID 71 (M): H 8.431 8.431 8.319 0.112 RESID 72 (S): N 122.700 122.700 121.412 1.288 RESID 72 (S): C 172.800 172.800 173.724 -0.924 RESID 72 (S): CA 57.630 57.630 56.703 0.927 RESID 72 (S): CB 64.590 64.590 65.270 -0.680 RESID 72 (S): H 8.717 8.717 8.700 0.017 RESID 73 (S): N 120.600 120.600 115.662 4.938 RESID 73 (S): C 174.900 174.900 174.825 0.075 RESID 73 (S): CA 58.590 58.590 59.546 -0.956 RESID 73 (S): CB 62.920 62.920 62.759 0.161 RESID 73 (S): H 8.570 8.570 8.615 -0.045 RESID 74 (L): N 120.700 120.700 124.056 -3.356 RESID 74 (L): C 175.300 175.300 175.953 -0.653 RESID 74 (L): CA 54.320 54.320 55.720 -1.400 RESID 74 (L): CB 42.350 42.350 42.857 -0.507 RESID 74 (L): H 8.678 8.678 7.378 1.300 RESID 75 (S): N 122.000 122.000 119.756 2.244 RESID 75 (S): C 174.500 174.500 173.637 0.863 RESID 75 (S): CA 59.250 59.250 57.153 2.097 RESID 75 (S): CB 63.060 63.060 64.744 -1.684 RESID 75 (S): H 8.142 8.142 7.860 0.282 RESID 76 (I): N 125.200 125.200 115.588 9.612 RESID 76 (I): C 175.500 175.500 174.626 0.874 RESID 76 (I): CA 61.340 61.340 59.481 1.859 RESID 76 (I): CB 35.790 35.790 39.698 -3.908 RESID 76 (I): H 8.307 8.307 8.252 0.055 RESID 77 (T): N 116.600 116.600 113.305 3.295 RESID 77 (T): C 174.800 174.800 175.079 -0.279 RESID 77 (T): CA 57.760 57.760 59.981 -2.221 RESID 77 (T): CB 71.570 71.570 72.315 -0.745 RESID 77 (T): H 6.513 6.513 7.516 -1.003 RESID 78 (E): N 124.500 124.500 124.856 -0.356 RESID 78 (E): C 179.500 179.500 177.895 1.605 RESID 78 (E): CA 59.140 59.140 60.866 -1.726 RESID 78 (E): CB 28.630 28.630 29.265 -0.635 RESID 78 (E): H 8.935 8.935 8.926 0.009 RESID 79 (K): N 118.400 118.400 118.330 0.070 RESID 79 (K): C 180.600 180.600 179.052 1.548 RESID 79 (K): CA 58.890 58.890 59.193 -0.303 RESID 79 (K): CB 31.610 31.610 32.300 -0.690 RESID 79 (K): H 8.415 8.415 8.368 0.047 RESID 80 (R): N 118.500 118.500 118.850 -0.350 RESID 80 (R): C 179.100 179.100 178.958 0.142 RESID 80 (R): CA 59.580 59.580 59.226 0.354 RESID 80 (R): CB 30.380 30.380 30.088 0.291 RESID 80 (R): H 7.678 7.678 7.405 0.273 RESID 81 (Q): N 119.000 119.000 119.547 -0.547 RESID 81 (Q): C 176.600 176.600 178.711 -2.111 RESID 81 (Q): CA 57.510 57.510 58.884 -1.374 RESID 81 (Q): CB 28.880 28.880 28.561 0.319 RESID 81 (Q): H 8.418 8.418 8.256 0.162 RESID 82 (Q): N 115.300 115.300 117.362 -2.062 RESID 82 (Q): C 177.400 177.400 177.801 -0.401 RESID 82 (Q): CA 57.280 57.280 58.265 -0.985 RESID 82 (Q): CB 27.950 27.950 28.581 -0.631 RESID 82 (Q): H 7.297 7.297 7.911 -0.614 RESID 83 (E): N 115.600 115.600 117.743 -2.143 RESID 83 (E): C 176.400 176.400 177.310 -0.910 RESID 83 (E): CA 56.950 56.950 58.360 -1.410 RESID 83 (E): CB 33.090 33.090 31.193 1.897 RESID 83 (E): H 7.627 7.627 7.926 -0.299 RESID 84 (I): N 115.100 115.100 111.906 3.194 RESID 84 (I): C 172.600 172.600 173.943 -1.343 RESID 84 (I): CA 59.380 59.380 58.903 0.478 RESID 84 (I): CB 40.830 40.830 41.508 -0.678 RESID 84 (I): H 8.275 8.275 7.988 0.287 RESID 85 (A): N 120.600 120.600 120.381 0.219 RESID 85 (A): C 175.000 175.000 175.235 -0.235 RESID 85 (A): CA 49.150 49.150 50.255 -1.105 RESID 85 (A): CB 22.280 22.280 21.482 0.798 RESID 85 (A): H 8.679 8.679 8.432 0.247 RESID 86 (F): N 115.500 115.500 118.971 -3.471 RESID 86 (F): C 178.800 178.800 175.832 2.968 RESID 86 (F): CA 55.850 55.850 56.869 -1.019 RESID 86 (F): CB 44.300 44.300 44.029 0.271 RESID 86 (F): H 8.283 8.283 8.612 -0.329 RESID 87 (T): N 108.200 108.200 114.876 -6.676 RESID 87 (T): C 174.700 174.700 173.787 0.913 RESID 87 (T): CA 61.930 61.930 61.063 0.867 RESID 87 (T): CB 72.740 72.740 70.128 2.612 RESID 87 (T): H 7.898 7.898 8.370 -0.472 RESID 88 (D): N 118.400 118.400 120.462 -2.062 RESID 88 (D): C 174.300 174.300 175.627 -1.327 RESID 88 (D): CA 55.030 55.030 55.806 -0.776 RESID 88 (D): CB 40.870 40.870 39.830 1.040 RESID 88 (D): H 8.789 8.789 8.813 -0.024 RESID 89 (K): N 118.100 118.100 116.586 1.514 RESID 89 (K): C 176.200 176.200 176.697 -0.497 RESID 89 (K): CA 55.570 55.570 57.281 -1.711 RESID 89 (K): CB 31.850 31.850 31.550 0.300 RESID 89 (K): H 7.666 7.666 7.696 -0.030 RESID 90 (L): N 123.400 123.400 126.363 -2.963 RESID 90 (L): C 178.000 178.000 177.721 0.279 RESID 90 (L): CA 54.450 54.450 57.314 -2.864 RESID 90 (L): CB 41.710 41.710 43.276 -1.565 RESID 90 (L): H 8.778 8.778 8.715 0.063 RESID 91 (Y): N 110.500 110.500 109.976 0.524 RESID 91 (Y): C 172.600 172.600 173.699 -1.099 RESID 91 (Y): CA 56.070 56.070 55.507 0.563 RESID 91 (Y): CB 37.670 37.670 40.540 -2.870 RESID 91 (Y): H 6.810 6.810 7.169 -0.359 RESID 92 (A): N 123.100 123.100 122.574 0.526 RESID 92 (A): C 175.600 175.600 176.777 -1.177 RESID 92 (A): CA 51.940 51.940 51.112 0.828 RESID 92 (A): CB 20.320 20.320 19.576 0.744 RESID 92 (A): H 8.135 8.135 9.088 -0.953 RESID 93 (A): N 127.000 127.000 127.806 -0.806 RESID 93 (A): C 175.700 175.700 176.641 -0.941 RESID 93 (A): CA 51.020 51.020 50.671 0.349 RESID 93 (A): CB 18.310 18.310 18.413 -0.103 RESID 93 (A): H 8.658 8.658 8.336 0.322 RESID 94 (D): N 122.900 122.900 121.690 1.210 RESID 94 (D): C 175.300 175.300 176.122 -0.822 RESID 94 (D): CA 53.910 53.910 55.114 -1.204 RESID 94 (D): CB 42.030 42.030 42.285 -0.255 RESID 94 (D): H 8.497 8.497 7.752 0.745 RESID 95 (S): N 110.300 110.300 112.199 -1.899 RESID 95 (S): C 171.600 171.600 173.065 -1.465 RESID 95 (S): CA 57.850 57.850 57.388 0.462 RESID 95 (S): CB 66.410 66.410 66.512 -0.102 RESID 95 (S): H 6.844 6.844 7.874 -1.030 RESID 96 (R): N 124.300 124.300 119.755 4.545 RESID 96 (R): C 173.700 173.700 173.851 -0.151 RESID 96 (R): CA 57.450 57.450 55.913 1.537 RESID 96 (R): CB 34.070 34.070 34.337 -0.267 RESID 96 (R): H 9.227 9.227 8.826 0.401 RESID 97 (L): N 124.100 124.100 125.161 -1.061 RESID 97 (L): C 177.600 177.600 175.937 1.663 RESID 97 (L): CA 54.150 54.150 53.787 0.363 RESID 97 (L): CB 42.640 42.640 44.392 -1.752 RESID 97 (L): H 9.343 9.343 8.037 1.306 RESID 98 (V): N 124.500 124.500 123.227 1.273 RESID 98 (V): C 175.700 175.700 175.043 0.657 RESID 98 (V): CA 61.770 61.770 60.878 0.892 RESID 98 (V): CB 32.950 32.950 32.323 0.627 RESID 98 (V): H 9.500 9.500 7.989 1.511 RESID 99 (V): N 116.800 116.800 120.626 -3.826 RESID 99 (V): C 174.600 174.600 173.965 0.635 RESID 99 (V): CA 58.190 58.190 58.818 -0.628 RESID 99 (V): CB 36.780 36.780 35.766 1.014 RESID 99 (V): H 9.192 9.192 8.149 1.043 RESID 100 (A): N 123.400 123.400 122.501 0.899 RESID 100 (A): C 179.200 179.200 178.359 0.841 RESID 100 (A): CA 52.690 52.690 50.662 2.028 RESID 100 (A): CB 18.160 18.160 20.078 -1.918 RESID 100 (A): H 9.043 9.043 8.422 0.621 RESID 101 (K): N 119.600 119.600 123.574 -3.974 RESID 101 (K): C 176.800 176.800 177.028 -0.228 RESID 101 (K): CA 59.360 59.360 58.967 0.393 RESID 101 (K): CB 31.380 31.380 31.884 -0.503 RESID 101 (K): H 7.840 7.840 8.908 -1.068 RESID 102 (N): N 114.400 114.400 115.547 -1.147 RESID 102 (N): C 175.500 175.500 175.234 0.266 RESID 102 (N): CA 52.330 52.330 54.639 -2.309 RESID 102 (N): CB 36.990 36.990 38.604 -1.614 RESID 102 (N): H 7.941 7.941 8.194 -0.253 RESID 103 (S): N 114.800 114.800 114.658 0.142 RESID 103 (S): C 176.000 176.000 173.281 2.719 RESID 103 (S): CA 58.180 58.180 57.487 0.693 RESID 103 (S): CB 64.310 64.310 63.912 0.398 RESID 103 (S): H 7.700 7.700 7.586 0.114 RESID 104 (D): N 128.500 128.500 129.275 -0.775 RESID 104 (D): C 176.700 176.700 175.171 1.529 RESID 104 (D): CA 52.990 52.990 54.010 -1.020 RESID 104 (D): CB 40.330 40.330 40.879 -0.548 RESID 104 (D): H 8.548 8.548 8.539 0.009 RESID 105 (I): N 122.800 122.800 124.837 -2.037 RESID 105 (I): C 173.800 173.800 174.615 -0.815 RESID 105 (I): CA 63.580 63.580 60.537 3.043 RESID 105 (I): CB 37.490 37.490 40.560 -3.070 RESID 105 (I): H 7.826 7.826 8.198 -0.372 RESID 106 (Q): N 124.600 124.600 125.006 -0.406 RESID 106 (Q): C 174.700 174.700 173.805 0.895 RESID 106 (Q): CA 51.380 51.380 52.075 -0.695 RESID 106 (Q): CB 31.050 31.050 29.884 1.166 RESID 106 (Q): H 8.174 8.174 8.489 -0.315 RESID 107 (P): C 175.300 175.300 175.792 -0.492 RESID 107 (P): CA 61.880 61.880 63.660 -1.780 RESID 107 (P): CB 26.860 26.860 31.029 -4.169 RESID 108 (T): N 114.600 114.600 117.714 -3.114 RESID 108 (T): C 174.000 174.000 174.385 -0.385 RESID 108 (T): CA 57.690 57.690 61.614 -3.924 RESID 108 (T): CB 71.020 71.020 71.958 -0.938 RESID 108 (T): H 8.531 8.531 7.665 0.866 RESID 109 (V): N 121.800 121.800 123.184 -1.384 RESID 109 (V): C 177.300 177.300 176.938 0.362 RESID 109 (V): CA 65.600 65.600 64.754 0.846 RESID 109 (V): CB 30.580 30.580 32.770 -2.189 RESID 109 (V): H 8.775 8.775 8.482 0.293 RESID 110 (E): N 116.900 116.900 120.814 -3.914 RESID 110 (E): C 178.400 178.400 178.669 -0.269 RESID 110 (E): CA 59.260 59.260 60.120 -0.860 RESID 110 (E): CB 28.170 28.170 29.049 -0.879 RESID 110 (E): H 8.414 8.414 8.384 0.030 RESID 111 (S): N 113.200 113.200 113.424 -0.224 RESID 111 (S): C 176.500 176.500 175.916 0.584 RESID 111 (S): CA 59.370 59.370 60.986 -1.616 RESID 111 (S): CB 63.730 63.730 62.505 1.225 RESID 111 (S): H 7.387 7.387 8.444 -1.057 RESID 112 (L): N 116.100 116.100 120.415 -4.315 RESID 112 (L): C 176.700 176.700 176.691 0.009 RESID 112 (L): CA 54.580 54.580 55.355 -0.775 RESID 112 (L): CB 42.650 42.650 42.552 0.098 RESID 112 (L): H 7.676 7.676 7.326 0.350 RESID 113 (K): N 121.000 121.000 119.227 1.773 RESID 113 (K): C 178.200 178.200 177.499 0.701 RESID 113 (K): CA 58.850 58.850 58.244 0.606 RESID 113 (K): CB 30.850 30.850 32.241 -1.391 RESID 113 (K): H 7.445 7.445 7.744 -0.299 RESID 114 (G): N 113.900 113.900 112.936 0.964 RESID 114 (G): C 174.200 174.200 174.800 -0.600 RESID 114 (G): CA 45.240 45.240 45.337 -0.097 RESID 114 (G): H 8.454 8.454 8.351 0.103 RESID 115 (K): N 120.600 120.600 121.770 -1.170 RESID 115 (K): C 174.800 174.800 176.106 -1.306 RESID 115 (K): CA 53.710 53.710 54.787 -1.077 RESID 115 (K): CB 31.990 31.990 33.268 -1.278 RESID 115 (K): H 8.530 8.530 7.884 0.646 RESID 116 (R): N 119.300 119.300 120.638 -1.338 RESID 116 (R): C 176.000 176.000 175.448 0.552 RESID 116 (R): CA 54.720 54.720 55.809 -1.089 RESID 116 (R): CB 32.310 32.310 31.737 0.573 RESID 116 (R): H 9.455 9.455 8.397 1.058 RESID 117 (V): N 126.100 126.100 123.000 3.100 RESID 117 (V): C 175.300 175.300 175.001 0.299 RESID 117 (V): CA 60.090 60.090 60.367 -0.278 RESID 117 (V): CB 33.620 33.620 35.487 -1.867 RESID 117 (V): H 9.217 9.217 8.558 0.659 RESID 118 (G): N 114.000 114.000 113.472 0.528 RESID 118 (G): C 172.300 172.300 172.614 -0.314 RESID 118 (G): CA 45.010 45.010 43.579 1.431 RESID 118 (G): H 9.367 9.367 8.022 1.345 RESID 119 (V): N 116.400 116.400 122.196 -5.796 RESID 119 (V): C 174.100 174.100 174.001 0.099 RESID 119 (V): CA 58.270 58.270 60.438 -2.168 RESID 119 (V): CB 36.370 36.370 37.010 -0.640 RESID 119 (V): H 9.166 9.166 9.315 -0.149 RESID 120 (L): N 124.400 124.400 124.089 0.311 RESID 120 (L): C 176.900 176.900 175.673 1.227 RESID 120 (L): CA 53.690 53.690 53.955 -0.265 RESID 120 (L): CB 41.240 41.240 42.737 -1.497 RESID 120 (L): H 8.961 8.961 8.834 0.127 RESID 121 (Q): N 128.000 128.000 127.146 0.854 RESID 121 (Q): C 176.900 176.900 177.253 -0.353 RESID 121 (Q): CA 56.680 56.680 57.067 -0.387 RESID 121 (Q): CB 27.920 27.920 29.531 -1.611 RESID 121 (Q): H 9.305 9.305 9.007 0.298 RESID 122 (G): N 113.600 113.600 113.563 0.037 RESID 122 (G): C 175.100 175.100 173.549 1.551 RESID 122 (G): CA 45.240 45.240 45.469 -0.229 RESID 122 (G): H 9.383 9.383 8.814 0.569 RESID 123 (T): N 108.400 108.400 110.083 -1.683 RESID 123 (T): C 176.800 176.800 174.418 2.382 RESID 123 (T): CA 60.260 60.260 59.977 0.283 RESID 123 (T): CB 73.530 73.530 70.672 2.858 RESID 123 (T): H 7.220 7.220 7.732 -0.512 RESID 124 (T): N 113.900 113.900 112.547 1.353 RESID 124 (T): C 178.100 178.100 176.528 1.572 RESID 124 (T): CA 63.990 63.990 64.636 -0.646 RESID 124 (T): CB 67.740 67.740 68.730 -0.990 RESID 124 (T): H 8.934 8.934 8.656 0.278 RESID 125 (Q): N 120.600 120.600 122.434 -1.834 RESID 125 (Q): C 178.300 178.300 178.082 0.218 RESID 125 (Q): CA 61.670 61.670 59.773 1.897 RESID 125 (Q): CB 25.310 25.310 28.051 -2.741 RESID 125 (Q): H 7.521 7.521 8.272 -0.751 RESID 126 (E): N 121.900 121.900 119.774 2.126 RESID 126 (E): C 177.600 177.600 178.897 -1.297 RESID 126 (E): CA 59.630 59.630 59.824 -0.194 RESID 126 (E): CB 28.730 28.730 29.639 -0.909 RESID 126 (E): H 7.717 7.717 7.811 -0.094 RESID 127 (T): N 117.800 117.800 116.230 1.570 RESID 127 (T): C 176.200 176.200 176.350 -0.150 RESID 127 (T): CA 66.340 66.340 66.838 -0.498 RESID 127 (T): CB 67.590 67.590 68.732 -1.142 RESID 127 (T): H 8.175 8.175 7.614 0.561 RESID 128 (F): N 121.900 121.900 121.954 -0.054 RESID 128 (F): C 178.000 178.000 177.533 0.467 RESID 128 (F): CA 61.590 61.590 60.733 0.857 RESID 128 (F): CB 38.810 38.810 38.930 -0.120 RESID 128 (F): H 8.882 8.882 8.585 0.297 RESID 129 (G): N 107.000 107.000 107.108 -0.108 RESID 129 (G): C 176.100 176.100 176.469 -0.369 RESID 129 (G): CA 46.690 46.690 47.219 -0.529 RESID 129 (G): H 8.900 8.900 9.154 -0.254 RESID 130 (N): N 123.000 123.000 118.436 4.564 RESID 130 (N): C 176.200 176.200 175.827 0.373 RESID 130 (N): CA 55.400 55.400 55.329 0.071 RESID 130 (N): CB 37.570 37.570 38.196 -0.626 RESID 130 (N): H 8.915 8.915 8.562 0.353 RESID 131 (E): N 119.000 119.000 116.749 2.251 RESID 131 (E): C 177.900 177.900 177.099 0.801 RESID 131 (E): CA 57.940 57.940 56.711 1.229 RESID 131 (E): CB 29.350 29.350 30.759 -1.409 RESID 131 (E): H 7.907 7.907 7.483 0.424 RESID 132 (H): N 112.600 112.600 118.641 -6.041 RESID 132 (H): C 175.900 175.900 175.562 0.338 RESID 132 (H): CA 56.910 56.910 58.795 -1.885 RESID 132 (H): CB 30.510 30.510 29.810 0.700 RESID 132 (H): H 7.877 7.877 7.882 -0.005 RESID 133 (W): N 119.300 119.300 117.446 1.854 RESID 133 (W): C 176.800 176.800 176.189 0.611 RESID 133 (W): CA 55.570 55.570 56.547 -0.977 RESID 133 (W): CB 30.400 30.400 29.721 0.679 RESID 133 (W): H 7.653 7.653 7.500 0.153 RESID 134 (A): N 125.400 125.400 124.652 0.748 RESID 134 (A): C 177.700 177.700 177.223 0.477 RESID 134 (A): CA 55.410 55.410 54.629 0.781 RESID 134 (A): CB 15.990 15.990 16.800 -0.810 RESID 134 (A): H 8.711 8.711 7.538 1.173 RESID 135 (P): C 177.200 177.200 177.411 -0.211 RESID 135 (P): CA 64.510 64.510 64.200 0.310 RESID 135 (P): CB 30.800 30.800 30.982 -0.182 RESID 136 (K): N 115.800 115.800 116.244 -0.444 RESID 136 (K): C 176.500 176.500 177.639 -1.139 RESID 136 (K): CA 53.530 53.530 55.925 -2.396 RESID 136 (K): CB 31.430 31.430 32.026 -0.596 RESID 136 (K): H 7.665 7.665 8.134 -0.469 RESID 137 (G): N 106.100 106.100 108.352 -2.252 RESID 137 (G): C 174.300 174.300 173.532 0.768 RESID 137 (G): CA 45.740 45.740 45.371 0.369 RESID 137 (G): H 7.864 7.864 7.670 0.194 RESID 138 (I): N 124.400 124.400 119.398 5.002 RESID 138 (I): C 174.400 174.400 174.772 -0.372 RESID 138 (I): CA 60.460 60.460 60.108 0.352 RESID 138 (I): CB 38.080 38.080 39.813 -1.733 RESID 138 (I): H 6.889 6.889 7.479 -0.590 RESID 139 (E): N 128.400 128.400 127.262 1.138 RESID 139 (E): C 173.900 173.900 175.092 -1.192 RESID 139 (E): CA 56.050 56.050 55.612 0.438 RESID 139 (E): CB 29.490 29.490 31.208 -1.718 RESID 139 (E): H 8.230 8.230 8.329 -0.099 RESID 140 (I): N 129.500 129.500 121.577 7.923 RESID 140 (I): C 176.100 176.100 174.725 1.375 RESID 140 (I): CA 57.100 57.100 59.011 -1.911 RESID 140 (I): CB 34.440 34.440 40.657 -6.217 RESID 140 (I): H 8.642 8.642 8.350 0.292 RESID 141 (V): N 133.000 133.000 125.001 7.999 RESID 141 (V): C 174.400 174.400 174.434 -0.034 RESID 141 (V): CA 61.060 61.060 61.142 -0.082 RESID 141 (V): CB 32.410 32.410 36.307 -3.897 RESID 141 (V): H 9.387 9.387 9.121 0.266 RESID 142 (S): N 122.900 122.900 120.226 2.674 RESID 142 (S): C 175.000 175.000 173.596 1.404 RESID 142 (S): CA 57.710 57.710 57.102 0.608 RESID 142 (S): CB 63.710 63.710 63.898 -0.188 RESID 142 (S): H 8.490 8.490 8.356 0.134 RESID 143 (Y): N 123.400 123.400 125.906 -2.506 RESID 143 (Y): C 175.900 175.900 176.428 -0.528 RESID 143 (Y): CA 57.300 57.300 57.655 -0.355 RESID 143 (Y): CB 42.300 42.300 41.400 0.900 RESID 143 (Y): H 8.979 8.979 9.331 -0.352 RESID 144 (Q): N 119.500 119.500 119.689 -0.189 RESID 144 (Q): C 176.000 176.000 174.971 1.029 RESID 144 (Q): CA 56.490 56.490 55.903 0.587 RESID 144 (Q): CB 28.470 28.470 29.922 -1.452 RESID 144 (Q): H 8.974 8.974 8.731 0.243 RESID 145 (G): N 106.800 106.800 107.312 -0.512 RESID 145 (G): C 173.500 173.500 174.160 -0.660 RESID 145 (G): CA 44.300 44.300 44.288 0.012 RESID 145 (G): H 7.531 7.531 7.859 -0.328 RESID 146 (Q): N 124.300 124.300 122.836 1.464 RESID 146 (Q): C 177.200 177.200 177.357 -0.157 RESID 146 (Q): CA 57.800 57.800 58.813 -1.013 RESID 146 (Q): CB 28.190 28.190 28.635 -0.445 RESID 146 (Q): H 8.949 8.949 8.860 0.089 RESID 147 (D): N 117.900 117.900 118.412 -0.512 RESID 147 (D): C 178.900 178.900 178.473 0.427 RESID 147 (D): CA 56.650 56.650 56.842 -0.192 RESID 147 (D): CB 38.890 38.890 39.744 -0.854 RESID 147 (D): H 8.746 8.746 8.783 -0.037 RESID 148 (N): N 117.500 117.500 117.753 -0.253 RESID 148 (N): C 176.700 176.700 177.334 -0.634 RESID 148 (N): CA 55.160 55.160 55.592 -0.432 RESID 148 (N): CB 38.700 38.700 38.095 0.605 RESID 148 (N): H 7.496 7.496 8.566 -1.070 RESID 149 (I): N 120.000 120.000 119.971 0.029 RESID 149 (I): C 177.400 177.400 177.519 -0.119 RESID 149 (I): CA 64.450 64.450 65.074 -0.624 RESID 149 (I): CB 35.900 35.900 37.599 -1.700 RESID 149 (I): H 6.793 6.793 7.099 -0.306 RESID 150 (Y): N 117.400 117.400 118.193 -0.793 RESID 150 (Y): C 178.800 178.800 178.067 0.733 RESID 150 (Y): CA 59.730 59.730 61.653 -1.923 RESID 150 (Y): CB 35.970 35.970 37.645 -1.675 RESID 150 (Y): H 6.897 6.897 7.387 -0.490 RESID 151 (S): N 117.000 117.000 114.898 2.102 RESID 151 (S): C 177.000 177.000 177.019 -0.019 RESID 151 (S): CA 61.300 61.300 61.691 -0.391 RESID 151 (S): CB 62.100 62.100 62.211 -0.111 RESID 151 (S): H 8.186 8.186 8.259 -0.073 RESID 152 (D): N 122.300 122.300 123.210 -0.910 RESID 152 (D): C 179.000 179.000 178.334 0.666 RESID 152 (D): CA 56.580 56.580 56.862 -0.282 RESID 152 (D): CB 38.240 38.240 40.374 -2.134 RESID 152 (D): H 7.541 7.541 7.628 -0.087 RESID 153 (L): N 124.100 124.100 121.208 2.892 RESID 153 (L): C 180.300 180.300 178.548 1.752 RESID 153 (L): CA 58.160 58.160 57.553 0.606 RESID 153 (L): CB 41.630 41.630 41.827 -0.197 RESID 153 (L): H 8.372 8.372 7.858 0.514 RESID 154 (T): N 111.900 111.900 113.487 -1.587 RESID 154 (T): C 176.700 176.700 175.393 1.307 RESID 154 (T): CA 63.920 63.920 65.471 -1.551 RESID 154 (T): CB 68.700 68.700 68.996 -0.296 RESID 154 (T): H 8.389 8.389 8.306 0.083 RESID 155 (A): N 121.800 121.800 120.108 1.692 RESID 155 (A): C 178.200 178.200 178.042 0.158 RESID 155 (A): CA 51.640 51.640 52.305 -0.665 RESID 155 (A): CB 18.990 18.990 19.357 -0.367 RESID 155 (A): H 7.444 7.444 7.067 0.377 RESID 156 (G): N 107.800 107.800 107.107 0.693 RESID 156 (G): C 175.100 175.100 175.363 -0.263 RESID 156 (G): CA 45.420 45.420 45.176 0.243 RESID 156 (G): H 7.921 7.921 8.023 -0.102 RESID 157 (R): N 119.000 119.000 119.217 -0.217 RESID 157 (R): C 176.600 176.600 175.718 0.882 RESID 157 (R): CA 57.260 57.260 57.611 -0.352 RESID 157 (R): CB 30.400 30.400 30.769 -0.369 RESID 157 (R): H 8.443 8.443 8.141 0.302 RESID 158 (I): N 108.900 108.900 112.832 -3.932 RESID 158 (I): C 173.700 173.700 174.295 -0.595 RESID 158 (I): CA 59.900 59.900 59.211 0.689 RESID 158 (I): CB 40.070 40.070 41.066 -0.996 RESID 158 (I): H 7.109 7.109 7.117 -0.008 RESID 159 (D): N 119.100 119.100 123.812 -4.712 RESID 159 (D): C 174.700 174.700 175.652 -0.952 RESID 159 (D): CA 55.900 55.900 56.329 -0.429 RESID 159 (D): CB 43.630 43.630 41.709 1.921 RESID 159 (D): H 8.737 8.737 8.556 0.181 RESID 160 (A): N 116.400 116.400 116.450 -0.050 RESID 160 (A): C 174.900 174.900 174.319 0.581 RESID 160 (A): CA 50.190 50.190 51.484 -1.294 RESID 160 (A): CB 23.030 23.030 21.353 1.677 RESID 160 (A): H 7.702 7.702 7.164 0.538 RESID 161 (A): N 123.400 123.400 121.780 1.620 RESID 161 (A): C 175.500 175.500 175.690 -0.190 RESID 161 (A): CA 49.730 49.730 50.257 -0.527 RESID 161 (A): CB 21.110 21.110 21.617 -0.507 RESID 161 (A): H 8.915 8.915 7.992 0.923 RESID 162 (F): N 125.100 125.100 122.534 2.566 RESID 162 (F): C 172.900 172.900 174.994 -2.094 RESID 162 (F): CA 54.500 54.500 58.218 -3.718 RESID 162 (F): CB 39.400 39.400 38.816 0.584 RESID 162 (F): H 8.971 8.971 8.440 0.531 RESID 163 (Q): N 124.600 124.600 123.372 1.228 RESID 163 (Q): C 173.400 173.400 173.689 -0.289 RESID 163 (Q): CA 53.550 53.550 53.640 -0.090 RESID 163 (Q): CB 34.390 34.390 33.148 1.242 RESID 163 (Q): H 7.904 7.904 8.318 -0.414 RESID 164 (D): N 122.300 122.300 121.207 1.093 RESID 164 (D): C 175.800 175.800 177.245 -1.445 RESID 164 (D): CA 55.540 55.540 54.471 1.069 RESID 164 (D): CB 42.370 42.370 42.038 0.331 RESID 164 (D): H 8.304 8.304 8.440 -0.136 RESID 165 (E): N 128.600 128.600 122.816 5.784 RESID 165 (E): C 177.700 177.700 178.109 -0.409 RESID 165 (E): CA 60.230 60.230 60.125 0.105 RESID 165 (E): CB 30.020 30.020 29.820 0.200 RESID 165 (E): H 8.605 8.605 8.757 -0.152 RESID 166 (V): N 120.100 120.100 118.834 1.266 RESID 166 (V): C 178.300 178.300 177.272 1.028 RESID 166 (V): CA 66.800 66.800 66.671 0.129 RESID 166 (V): CB 30.070 30.070 30.241 -0.171 RESID 166 (V): H 8.748 8.748 8.170 0.578 RESID 167 (A): N 123.200 123.200 120.038 3.162 RESID 167 (A): C 182.500 182.500 179.093 3.407 RESID 167 (A): CA 54.980 54.980 54.709 0.271 RESID 167 (A): CB 17.910 17.910 18.034 -0.124 RESID 167 (A): H 8.655 8.655 7.904 0.751 RESID 168 (A): N 121.300 121.300 122.189 -0.889 RESID 168 (A): C 179.800 179.800 179.725 0.075 RESID 168 (A): CA 54.180 54.180 54.537 -0.357 RESID 168 (A): CB 18.750 18.750 18.428 0.322 RESID 168 (A): H 8.349 8.349 7.881 0.468 RESID 169 (S): N 113.400 113.400 114.258 -0.858 RESID 169 (S): C 175.700 175.700 176.255 -0.555 RESID 169 (S): CA 61.050 61.050 62.800 -1.750 RESID 169 (S): CB 63.050 63.050 62.582 0.468 RESID 169 (S): H 8.058 8.058 8.173 -0.115 RESID 170 (E): N 115.600 115.600 120.393 -4.793 RESID 170 (E): C 178.800 178.800 177.418 1.382 RESID 170 (E): CA 57.610 57.610 58.077 -0.467 RESID 170 (E): CB 29.790 29.790 29.041 0.749 RESID 170 (E): H 8.824 8.824 7.844 0.980 RESID 171 (G): N 103.400 103.400 104.975 -1.575 RESID 171 (G): C 173.700 173.700 175.030 -1.330 RESID 171 (G): CA 44.970 44.970 45.284 -0.314 RESID 171 (G): H 8.154 8.154 7.358 0.796 RESID 172 (F): N 120.100 120.100 122.528 -2.428 RESID 172 (F): C 175.200 175.200 177.707 -2.507 RESID 172 (F): CA 60.690 60.690 61.139 -0.449 RESID 172 (F): CB 40.740 40.740 39.079 1.661 RESID 172 (F): H 7.297 7.297 8.303 -1.006 RESID 173 (L): N 117.800 117.800 117.753 0.047 RESID 173 (L): C 179.000 179.000 178.295 0.705 RESID 173 (L): CA 57.670 57.670 56.888 0.782 RESID 173 (L): CB 40.020 40.020 41.824 -1.804 RESID 173 (L): H 8.470 8.470 7.526 0.944 RESID 174 (K): N 114.600 114.600 116.420 -1.820 RESID 174 (K): C 176.900 176.900 176.370 0.530 RESID 174 (K): CA 56.450 56.450 57.258 -0.808 RESID 174 (K): CB 31.770 31.770 32.673 -0.903 RESID 174 (K): H 8.018 8.018 7.537 0.481 RESID 175 (Q): N 118.800 118.800 117.148 1.652 RESID 175 (Q): C 176.000 176.000 173.964 2.036 RESID 175 (Q): CA 52.510 52.510 52.219 0.291 RESID 175 (Q): CB 26.740 26.740 29.753 -3.013 RESID 175 (Q): H 7.151 7.151 7.288 -0.137 RESID 176 (P): C 179.300 179.300 177.353 1.947 RESID 176 (P): CA 66.100 66.100 65.435 0.665 RESID 176 (P): CB 30.720 30.720 31.534 -0.814 RESID 177 (V): N 112.300 112.300 117.223 -4.923 RESID 177 (V): C 175.900 175.900 177.924 -2.024 RESID 177 (V): CA 62.860 62.860 65.966 -3.106 RESID 177 (V): CB 30.660 30.660 30.586 0.074 RESID 177 (V): H 7.480 7.480 7.699 -0.219 RESID 178 (G): N 109.700 109.700 105.766 3.934 RESID 178 (G): C 175.000 175.000 174.803 0.197 RESID 178 (G): CA 44.080 44.080 46.232 -2.152 RESID 178 (G): H 7.173 7.173 7.900 -0.727 RESID 179 (K): N 120.900 120.900 119.112 1.788 RESID 179 (K): C 177.100 177.100 177.652 -0.552 RESID 179 (K): CA 58.360 58.360 58.460 -0.100 RESID 179 (K): CB 31.260 31.260 32.296 -1.036 RESID 179 (K): H 6.972 6.972 7.356 -0.384 RESID 180 (D): N 117.200 117.200 117.201 -0.001 RESID 180 (D): C 173.900 173.900 175.857 -1.957 RESID 180 (D): CA 53.920 53.920 55.869 -1.949 RESID 180 (D): CB 39.690 39.690 41.346 -1.655 RESID 180 (D): H 8.036 8.036 7.448 0.588 RESID 181 (Y): N 120.500 120.500 114.933 5.567 RESID 181 (Y): C 172.300 172.300 173.471 -1.171 RESID 181 (Y): CA 57.890 57.890 57.738 0.152 RESID 181 (Y): CB 41.860 41.860 42.373 -0.513 RESID 181 (Y): H 7.768 7.768 7.435 0.333 RESID 182 (K): N 116.900 116.900 118.649 -1.749 RESID 182 (K): C 174.900 174.900 174.281 0.619 RESID 182 (K): CA 54.330 54.330 56.462 -2.132 RESID 182 (K): CB 35.610 35.610 33.326 2.284 RESID 182 (K): H 9.497 9.497 8.848 0.649 RESID 183 (F): N 117.900 117.900 122.198 -4.298 RESID 183 (F): C 177.800 177.800 174.969 2.831 RESID 183 (F): CA 56.780 56.780 58.099 -1.319 RESID 183 (F): CB 38.320 38.320 42.871 -4.551 RESID 183 (F): H 8.470 8.470 7.857 0.613 RESID 184 (G): N 113.700 113.700 109.388 4.312 RESID 184 (G): C 173.300 173.300 174.698 -1.398 RESID 184 (G): CA 46.900 46.900 45.010 1.890 RESID 184 (G): H 9.107 9.107 8.847 0.260 RESID 185 (G): N 111.000 111.000 110.205 0.795 RESID 185 (G): C 171.100 171.100 172.897 -1.797 RESID 185 (G): CA 44.530 44.530 45.563 -1.034 RESID 185 (G): H 7.702 7.702 8.481 -0.779 RESID 186 (P): C 175.500 175.500 176.198 -0.698 RESID 186 (P): CA 61.920 61.920 64.429 -2.509 RESID 186 (P): CB 32.640 32.640 31.870 0.770 RESID 187 (S): N 113.500 113.500 120.137 -6.637 RESID 187 (S): C 173.500 173.500 173.850 -0.350 RESID 187 (S): CA 57.930 57.930 57.474 0.456 RESID 187 (S): CB 63.260 63.260 65.656 -2.397 RESID 187 (S): H 8.452 8.452 8.330 0.122 RESID 188 (V): N 123.300 123.300 121.748 1.552 RESID 188 (V): C 173.900 173.900 173.631 0.269 RESID 188 (V): CA 61.800 61.800 62.338 -0.538 RESID 188 (V): CB 32.680 32.680 34.687 -2.007 RESID 188 (V): H 9.080 9.080 7.842 1.238 RESID 189 (K): N 125.200 125.200 122.398 2.802 RESID 189 (K): C 176.700 176.700 174.087 2.613 RESID 189 (K): CA 54.680 54.680 56.180 -1.500 RESID 189 (K): CB 33.780 33.780 34.710 -0.930 RESID 189 (K): H 8.123 8.123 8.136 -0.013 RESID 190 (D): N 120.300 120.300 122.053 -1.753 RESID 190 (D): C 175.300 175.300 176.892 -1.592 RESID 190 (D): CA 55.610 55.610 53.454 2.156 RESID 190 (D): CB 42.620 42.620 40.435 2.185 RESID 190 (D): H 8.823 8.823 8.290 0.533 RESID 191 (E): N 129.100 129.100 126.599 2.501 RESID 191 (E): C 177.300 177.300 177.567 -0.267 RESID 191 (E): CA 59.310 59.310 58.453 0.858 RESID 191 (E): CB 28.420 28.420 29.523 -1.103 RESID 191 (E): H 9.239 9.239 8.850 0.389 RESID 192 (K): N 118.000 118.000 119.306 -1.306 RESID 192 (K): C 178.200 178.200 178.125 0.075 RESID 192 (K): CA 58.140 58.140 58.936 -0.796 RESID 192 (K): CB 31.690 31.690 32.147 -0.457 RESID 192 (K): H 7.918 7.918 8.781 -0.863 RESID 193 (L): N 118.200 118.200 118.553 -0.353 RESID 193 (L): C 177.700 177.700 178.328 -0.628 RESID 193 (L): CA 55.790 55.790 56.937 -1.147 RESID 193 (L): CB 42.330 42.330 41.927 0.403 RESID 193 (L): H 8.362 8.362 7.214 1.148 RESID 194 (F): N 116.800 116.800 115.220 1.580 RESID 194 (F): C 178.200 178.200 175.866 2.334 RESID 194 (F): CA 54.620 54.620 57.221 -2.601 RESID 194 (F): CB 37.390 37.390 39.387 -1.997 RESID 194 (F): H 8.036 8.036 7.364 0.672 RESID 195 (G): N 106.900 106.900 108.855 -1.955 RESID 195 (G): C 174.200 174.200 174.585 -0.385 RESID 195 (G): CA 44.120 44.120 44.925 -0.805 RESID 195 (G): H 7.510 7.510 7.639 -0.129 RESID 196 (V): N 112.400 112.400 123.835 -11.435 RESID 196 (V): C 175.300 175.300 175.827 -0.527 RESID 196 (V): CA 60.720 60.720 64.030 -3.310 RESID 196 (V): CB 30.630 30.630 32.153 -1.523 RESID 196 (V): H 8.064 8.064 8.335 -0.271 RESID 197 (G): N 108.100 108.100 105.220 2.880 RESID 197 (G): C 172.300 172.300 172.021 0.279 RESID 197 (G): CA 43.210 43.210 45.273 -2.063 RESID 197 (G): H 7.788 7.788 7.252 0.536 RESID 198 (T): N 109.200 109.200 113.439 -4.239 RESID 198 (T): C 172.800 172.800 173.163 -0.363 RESID 198 (T): CA 59.090 59.090 59.342 -0.252 RESID 198 (T): CB 71.080 71.080 71.320 -0.240 RESID 198 (T): H 7.796 7.796 7.980 -0.184 RESID 199 (G): N 103.900 103.900 108.311 -4.411 RESID 199 (G): C 171.800 171.800 172.302 -0.502 RESID 199 (G): CA 43.840 43.840 45.618 -1.778 RESID 199 (G): H 7.928 7.928 7.850 0.078 RESID 200 (M): N 121.400 121.400 119.562 1.838 RESID 200 (M): C 176.200 176.200 176.038 0.162 RESID 200 (M): CA 55.260 55.260 54.922 0.338 RESID 200 (M): CB 33.390 33.390 35.424 -2.034 RESID 200 (M): H 7.971 7.971 8.254 -0.283 RESID 201 (G): N 112.200 112.200 110.582 1.618 RESID 201 (G): C 172.000 172.000 172.632 -0.632 RESID 201 (G): CA 44.540 44.540 44.318 0.222 RESID 201 (G): H 8.818 8.818 8.334 0.484 RESID 202 (L): N 124.700 124.700 124.676 0.024 RESID 202 (L): C 176.000 176.000 175.863 0.137 RESID 202 (L): CA 53.740 53.740 52.842 0.898 RESID 202 (L): CB 46.010 46.010 46.224 -0.214 RESID 202 (L): H 8.767 8.767 8.638 0.129 RESID 203 (R): N 121.600 121.600 120.204 1.396 RESID 203 (R): C 180.400 180.400 177.914 2.486 RESID 203 (R): CA 57.130 57.130 55.526 1.604 RESID 203 (R): CB 29.650 29.650 31.299 -1.649 RESID 203 (R): H 10.270 10.270 8.266 2.004 RESID 204 (K): N 123.200 123.200 124.632 -1.432 RESID 204 (K): C 178.200 178.200 177.539 0.661 RESID 204 (K): CA 59.570 59.570 59.715 -0.145 RESID 204 (K): CB 31.840 31.840 32.073 -0.233 RESID 204 (K): H 9.231 9.231 8.657 0.574 RESID 205 (E): N 113.800 113.800 117.183 -3.383 RESID 205 (E): C 177.700 177.700 177.938 -0.238 RESID 205 (E): CA 57.230 57.230 58.274 -1.044 RESID 205 (E): CB 27.770 27.770 28.922 -1.152 RESID 205 (E): H 9.026 9.026 8.223 0.803 RESID 206 (D): N 126.000 126.000 120.790 5.210 RESID 206 (D): C 177.300 177.300 176.513 0.787 RESID 206 (D): CA 53.710 53.710 53.677 0.033 RESID 206 (D): CB 37.530 37.530 38.698 -1.168 RESID 206 (D): H 7.253 7.253 8.005 -0.752 RESID 207 (N): N 120.100 120.100 120.438 -0.338 RESID 207 (N): C 176.900 176.900 177.019 -0.119 RESID 207 (N): CA 56.950 56.950 56.437 0.513 RESID 207 (N): CB 38.820 38.820 38.893 -0.073 RESID 207 (N): H 7.839 7.839 8.723 -0.884 RESID 208 (E): N 120.500 120.500 118.961 1.539 RESID 208 (E): C 179.900 179.900 178.472 1.428 RESID 208 (E): CA 59.870 59.870 58.978 0.892 RESID 208 (E): CB 27.630 27.630 29.443 -1.813 RESID 208 (E): H 8.776 8.776 8.336 0.440 RESID 209 (L): N 122.900 122.900 120.412 2.488 RESID 209 (L): C 177.100 177.100 178.207 -1.107 RESID 209 (L): CA 57.400 57.400 57.514 -0.114 RESID 209 (L): CB 40.660 40.660 41.831 -1.171 RESID 209 (L): H 8.366 8.366 7.852 0.514 RESID 210 (R): N 119.100 119.100 118.816 0.284 RESID 210 (R): C 177.400 177.400 178.205 -0.805 RESID 210 (R): CA 59.970 59.970 59.759 0.211 RESID 210 (R): CB 30.110 30.110 30.023 0.087 RESID 210 (R): H 7.582 7.582 8.345 -0.763 RESID 211 (E): N 116.200 116.200 119.247 -3.047 RESID 211 (E): C 179.800 179.800 178.522 1.278 RESID 211 (E): CA 59.150 59.150 59.267 -0.117 RESID 211 (E): CB 28.600 28.600 29.583 -0.983 RESID 211 (E): H 8.407 8.407 7.822 0.585 RESID 212 (A): N 123.500 123.500 122.678 0.822 RESID 212 (A): C 181.300 181.300 179.662 1.638 RESID 212 (A): CA 54.810 54.810 54.724 0.086 RESID 212 (A): CB 17.170 17.170 18.137 -0.967 RESID 212 (A): H 8.128 8.128 7.596 0.532 RESID 213 (L): N 121.200 121.200 119.600 1.600 RESID 213 (L): C 178.400 178.400 179.637 -1.237 RESID 213 (L): CA 57.710 57.710 58.154 -0.444 RESID 213 (L): CB 41.450 41.450 41.141 0.309 RESID 213 (L): H 8.364 8.364 8.086 0.278 RESID 214 (N): N 119.200 119.200 116.446 2.754 RESID 214 (N): C 179.700 179.700 177.847 1.853 RESID 214 (N): CA 55.260 55.260 55.866 -0.606 RESID 214 (N): CB 37.120 37.120 37.934 -0.814 RESID 214 (N): H 8.435 8.435 8.366 0.069 RESID 215 (K): N 123.800 123.800 121.345 2.455 RESID 215 (K): C 178.400 178.400 178.518 -0.118 RESID 215 (K): CA 59.090 59.090 59.405 -0.315 RESID 215 (K): CB 31.740 31.740 32.489 -0.749 RESID 215 (K): H 8.080 8.080 8.456 -0.376 RESID 216 (A): N 122.200 122.200 121.748 0.452 RESID 216 (A): C 179.500 179.500 179.512 -0.012 RESID 216 (A): CA 54.140 54.140 54.883 -0.743 RESID 216 (A): CB 18.700 18.700 18.267 0.433 RESID 216 (A): H 7.935 7.935 8.245 -0.310 RESID 217 (F): N 119.500 119.500 120.137 -0.637 RESID 217 (F): C 177.200 177.200 176.976 0.224 RESID 217 (F): CA 61.390 61.390 60.276 1.114 RESID 217 (F): CB 38.000 38.000 39.063 -1.063 RESID 217 (F): H 8.916 8.916 8.330 0.586 RESID 218 (A): N 121.300 121.300 121.217 0.083 RESID 218 (A): C 182.100 182.100 179.672 2.428 RESID 218 (A): CA 54.810 54.810 55.210 -0.400 RESID 218 (A): CB 16.650 16.650 17.983 -1.333 RESID 218 (A): H 7.956 7.956 8.162 -0.206 RESID 219 (E): N 120.000 120.000 119.029 0.971 RESID 219 (E): C 178.600 178.600 179.009 -0.409 RESID 219 (E): CA 59.040 59.040 59.308 -0.268 RESID 219 (E): CB 28.320 28.320 29.479 -1.159 RESID 219 (E): H 7.952 7.952 7.846 0.106 RESID 220 (M): N 120.900 120.900 118.190 2.710 RESID 220 (M): C 179.000 179.000 178.564 0.436 RESID 220 (M): CA 57.430 57.430 59.448 -2.018 RESID 220 (M): CB 32.620 32.620 32.468 0.152 RESID 220 (M): H 8.190 8.190 8.059 0.131 RESID 221 (R): N 119.200 119.200 118.404 0.796 RESID 221 (R): C 179.300 179.300 178.888 0.412 RESID 221 (R): CA 58.710 58.710 58.934 -0.224 RESID 221 (R): CB 27.480 27.480 29.860 -2.380 RESID 221 (R): H 7.762 7.762 7.529 0.233 RESID 222 (A): N 122.500 122.500 122.086 0.414 RESID 222 (A): C 179.300 179.300 178.919 0.381 RESID 222 (A): CA 54.180 54.180 54.622 -0.442 RESID 222 (A): CB 18.030 18.030 18.556 -0.526 RESID 222 (A): H 7.838 7.838 7.763 0.075 RESID 223 (D): N 115.100 115.100 114.597 0.503 RESID 223 (D): C 177.900 177.900 177.262 0.638 RESID 223 (D): CA 53.020 53.020 53.129 -0.109 RESID 223 (D): CB 39.570 39.570 40.400 -0.830 RESID 223 (D): H 8.091 8.091 7.979 0.112 RESID 224 (G): N 106.700 106.700 108.952 -2.252 RESID 224 (G): C 176.000 176.000 175.993 0.007 RESID 224 (G): CA 45.070 45.070 46.349 -1.280 RESID 224 (G): H 7.199 7.199 7.534 -0.335 RESID 225 (T): N 122.400 122.400 117.118 5.282 RESID 225 (T): C 175.700 175.700 175.329 0.371 RESID 225 (T): CA 67.610 67.610 67.823 -0.213 RESID 225 (T): CB 66.840 66.840 68.755 -1.915 RESID 225 (T): H 9.095 9.095 8.738 0.357 RESID 226 (Y): N 121.500 121.500 121.704 -0.204 RESID 226 (Y): C 176.000 176.000 176.905 -0.905 RESID 226 (Y): CA 62.530 62.530 62.332 0.198 RESID 226 (Y): CB 38.410 38.410 38.335 0.075 RESID 226 (Y): H 8.040 8.040 7.646 0.394 RESID 227 (E): N 118.200 118.200 118.701 -0.501 RESID 227 (E): C 178.200 178.200 178.693 -0.493 RESID 227 (E): CA 58.940 58.940 59.466 -0.526 RESID 227 (E): CB 28.810 28.810 29.121 -0.311 RESID 227 (E): H 8.153 8.153 8.590 -0.437 RESID 228 (K): N 119.100 119.100 120.402 -1.302 RESID 228 (K): C 179.500 179.500 179.062 0.438 RESID 228 (K): CA 59.260 59.260 59.491 -0.231 RESID 228 (K): CB 31.520 31.520 32.418 -0.898 RESID 228 (K): H 7.558 7.558 8.374 -0.816 RESID 229 (L): N 119.100 119.100 119.376 -0.276 RESID 229 (L): C 179.300 179.300 178.817 0.483 RESID 229 (L): CA 56.970 56.970 57.710 -0.740 RESID 229 (L): CB 41.520 41.520 41.866 -0.346 RESID 229 (L): H 8.055 8.055 8.058 -0.003 RESID 230 (A): N 121.200 121.200 122.151 -0.951 RESID 230 (A): C 180.500 180.500 179.253 1.247 RESID 230 (A): CA 54.890 54.890 55.541 -0.651 RESID 230 (A): CB 17.570 17.570 17.719 -0.149 RESID 230 (A): H 8.901 8.901 8.322 0.579 RESID 231 (K): N 117.200 117.200 118.330 -1.130 RESID 231 (K): C 177.700 177.700 178.448 -0.748 RESID 231 (K): CA 57.370 57.370 58.889 -1.519 RESID 231 (K): CB 31.330 31.330 32.315 -0.985 RESID 231 (K): H 8.062 8.062 8.071 -0.009 RESID 232 (K): N 117.600 117.600 117.175 0.425 RESID 232 (K): C 176.800 176.800 179.174 -2.374 RESID 232 (K): CA 57.890 57.890 58.711 -0.821 RESID 232 (K): CB 31.150 31.150 32.645 -1.495 RESID 232 (K): H 7.053 7.053 7.428 -0.375 RESID 233 (Y): N 114.000 114.000 117.052 -3.052 RESID 233 (Y): C 175.100 175.100 175.787 -0.687 RESID 233 (Y): CA 58.110 58.110 61.240 -3.130 RESID 233 (Y): CB 39.360 39.360 38.931 0.429 RESID 233 (Y): H 7.013 7.013 8.044 -1.031 RESID 234 (F): N 116.400 116.400 113.542 2.858 RESID 234 (F): C 175.800 175.800 173.442 2.358 RESID 234 (F): CA 54.920 54.920 56.688 -1.768 RESID 234 (F): CB 41.260 41.260 42.838 -1.578 RESID 234 (F): H 8.038 8.038 8.171 -0.133 RESID 235 (D): N 123.000 123.000 120.682 2.318 RESID 235 (D): C 174.500 174.500 174.786 -0.286 RESID 235 (D): CA 52.680 52.680 53.308 -0.628 RESID 235 (D): CB 39.860 39.860 39.081 0.778 RESID 235 (D): H 8.879 8.879 8.590 0.289 RESID 236 (F): N 115.500 115.500 120.633 -5.133 RESID 236 (F): C 173.600 173.600 173.645 -0.045 RESID 236 (F): CA 53.950 53.950 56.661 -2.711 RESID 236 (F): CB 39.860 39.860 39.854 0.006 RESID 236 (F): H 6.793 6.793 7.405 -0.612 RESID 237 (D): N 119.700 119.700 121.858 -2.158 RESID 237 (D): C 175.800 175.800 177.141 -1.341 RESID 237 (D): CA 52.980 52.980 52.648 0.332 RESID 237 (D): CB 39.210 39.210 41.956 -2.746 RESID 237 (D): H 8.831 8.831 8.631 0.200 RESID 238 (V): N 129.900 129.900 122.603 7.297 RESID 238 (V): C 175.200 175.200 176.639 -1.439 RESID 238 (V): CA 61.840 61.840 65.102 -3.261 RESID 238 (V): CB 32.500 32.500 31.910 0.590 RESID 238 (V): H 7.376 7.376 8.362 -0.986 RESID 239 (Y): N 123.500 123.500 119.132 4.368 RESID 239 (Y): C 176.500 176.500 178.488 -1.988 RESID 239 (Y): CA 61.920 61.920 61.096 0.824 RESID 239 (Y): CB 38.010 38.010 37.807 0.203 RESID 239 (Y): H 8.314 8.314 7.814 0.500 RESID 240 (G): N 104.100 104.100 104.386 -0.286 RESID 240 (G): C 174.600 174.600 174.899 -0.299 RESID 240 (G): CA 45.930 45.930 45.310 0.620 RESID 240 (G): H 7.428 7.428 8.420 -0.992 N HA C CA CB H RESID 6 (P): ----- ----- -0.698 -0.612 -0.729 ----- RESID 7 (Q): -0.353 ----- -0.404 -0.667 -0.638 -0.301 RESID 8 (N): 1.855 ----- -0.313 -0.647 -1.307 -0.329 RESID 9 (I): -2.417 ----- -0.184 -0.719 0.167 -0.748 RESID 10 (R): -1.300 ----- 0.744 -1.764 -0.251 0.347 RESID 11 (I): 3.258 ----- 0.315 0.101 -4.005 0.272 RESID 12 (G): 0.509 ----- -1.266 0.250 ----- 0.791 RESID 13 (T): -0.976 ----- 8.565 -0.619 -1.857 0.586 RESID 14 (D): -0.735 ----- 2.867 -0.508 -1.766 -0.479 RESID 15 (P): ----- ----- -1.121 -1.391 -4.468 ----- RESID 16 (T): 5.428 ----- 0.762 -2.491 -1.186 0.428 RESID 17 (Y): 3.987 ----- -0.453 -1.981 0.135 0.868 RESID 18 (A): 2.416 ----- -0.461 -4.560 -0.174 0.022 RESID 19 (P): ----- ----- -4.334 -2.355 0.190 ----- RESID 20 (F): 7.700 ----- 1.597 2.724 -3.038 -0.125 RESID 21 (E): -2.746 ----- -0.838 -0.804 -5.396 -0.760 RESID 22 (S): 4.104 ----- -0.778 -1.296 -1.185 0.451 RESID 23 (K): -2.004 ----- 2.550 -1.649 -1.879 -0.003 RESID 24 (N): 1.525 ----- 0.980 -1.220 -1.995 0.013 RESID 25 (S): ----- ----- -0.036 0.044 -0.116 ----- RESID 26 (Q): -0.187 ----- -0.606 -0.509 -0.439 -0.907 RESID 27 (G): 1.295 ----- -0.269 0.047 ----- 0.422 RESID 28 (E): 1.645 ----- 0.202 -1.390 -0.943 -0.297 RESID 29 (L): 2.273 ----- 0.381 0.440 -1.946 -0.008 RESID 30 (V): -4.183 ----- 1.717 -1.746 0.100 1.028 RESID 31 (G): -0.658 ----- 0.914 -1.394 ----- 1.116 RESID 32 (F): -2.690 ----- 2.014 -0.768 -0.321 0.141 RESID 33 (D): -2.610 ----- 1.060 -0.418 -1.638 1.624 RESID 34 (I): -0.868 ----- 0.271 -3.788 -4.193 -1.188 RESID 35 (D): 0.613 ----- 1.619 -0.312 0.143 0.757 RESID 36 (L): -0.366 ----- 0.510 -0.055 0.660 1.292 RESID 37 (A): -1.648 ----- -0.951 -0.120 -1.107 0.744 RESID 38 (K): -2.927 ----- 0.942 0.545 -0.514 0.620 RESID 39 (E): 2.158 ----- -1.078 -0.893 -1.516 -0.100 RESID 40 (L): 1.107 ----- -0.128 0.201 -1.487 0.665 RESID 41 (C): -2.788 ----- -1.679 -0.370 21.411 -0.077 RESID 42 (K): -0.281 ----- 1.635 -0.642 -0.919 -0.566 RESID 43 (R): 1.412 ----- 0.030 0.303 -0.233 0.485 RESID 44 (I): -5.749 ----- -0.824 -2.152 -1.543 -0.700 RESID 45 (N): 3.117 ----- -0.344 -0.954 0.713 -0.293 RESID 46 (T): 7.150 ----- 0.289 -0.299 -1.330 -0.033 RESID 47 (Q): 3.556 ----- 0.827 -0.520 -1.919 -0.246 RESID 48 (C): -0.373 ----- -0.655 -4.644 17.817 0.213 RESID 49 (T): -1.955 ----- 0.167 -1.033 -0.115 -0.520 RESID 50 (F): -2.104 ----- -0.126 0.031 0.459 0.377 RESID 51 (V): 2.520 ----- -0.034 -0.012 -1.691 0.207 RESID 52 (E): -2.101 ----- 1.656 -2.772 -1.021 -0.155 RESID 53 (N): 6.178 ----- -1.810 -0.149 5.573 0.683 RESID 54 (P): ----- ----- -0.158 -0.711 -1.436 ----- RESID 55 (L): -0.013 ----- 0.884 -1.088 0.079 0.310 RESID 56 (D): -3.593 ----- -0.820 -0.774 -0.543 0.119 RESID 57 (A): 0.487 ----- 1.045 -2.167 -0.478 -0.253 RESID 58 (L): 1.121 ----- -0.967 0.857 -1.757 -0.282 RESID 59 (I): 0.108 ----- 1.267 1.623 -0.722 1.389 RESID 60 (P): ----- ----- 0.882 -0.598 -1.280 ----- RESID 61 (S): -0.148 ----- -1.177 0.318 ----- -0.368 RESID 62 (L): 3.126 ----- 1.961 -0.329 0.006 0.203 RESID 63 (K): 1.838 ----- -0.229 0.239 -1.695 0.715 RESID 64 (A): 0.166 ----- -0.458 -0.238 -0.312 -0.205 RESID 65 (K): -1.794 ----- -0.459 -0.174 -2.157 0.050 RESID 66 (K): 2.860 ----- -0.551 -1.273 -0.844 0.587 RESID 67 (I): -5.109 ----- -1.411 -0.006 -0.548 -0.233 RESID 68 (D): -3.397 ----- -3.742 0.232 1.717 1.211 RESID 69 (A): -0.918 ----- 1.083 -1.074 -0.178 -0.090 RESID 70 (I): -0.363 ----- 0.027 -0.578 0.260 1.325 RESID 71 (M): -0.405 ----- -1.492 -2.001 -0.262 0.112 RESID 72 (S): 1.288 ----- -0.924 0.927 -0.680 0.017 RESID 73 (S): 4.938 ----- 0.075 -0.956 0.161 -0.045 RESID 74 (L): -3.356 ----- -0.653 -1.400 -0.507 1.300 RESID 75 (S): 2.244 ----- 0.863 2.097 -1.684 0.282 RESID 76 (I): 9.612 ----- 0.874 1.859 -3.908 0.055 RESID 77 (T): 3.295 ----- -0.279 -2.221 -0.745 -1.003 RESID 78 (E): -0.356 ----- 1.605 -1.726 -0.635 0.009 RESID 79 (K): 0.070 ----- 1.548 -0.303 -0.690 0.047 RESID 80 (R): -0.350 ----- 0.142 0.354 0.291 0.273 RESID 81 (Q): -0.547 ----- -2.111 -1.374 0.319 0.162 RESID 82 (Q): -2.062 ----- -0.401 -0.985 -0.631 -0.614 RESID 83 (E): -2.143 ----- -0.910 -1.410 1.897 -0.299 RESID 84 (I): 3.194 ----- -1.343 0.478 -0.678 0.287 RESID 85 (A): 0.219 ----- -0.235 -1.105 0.798 0.247 RESID 86 (F): -3.471 ----- 2.968 -1.019 0.271 -0.329 RESID 87 (T): -6.676 ----- 0.913 0.867 2.612 -0.472 RESID 88 (D): -2.062 ----- -1.327 -0.776 1.040 -0.024 RESID 89 (K): 1.514 ----- -0.497 -1.711 0.300 -0.030 RESID 90 (L): -2.963 ----- 0.279 -2.864 -1.565 0.063 RESID 91 (Y): 0.524 ----- -1.099 0.563 -2.870 -0.359 RESID 92 (A): 0.526 ----- -1.177 0.828 0.744 -0.953 RESID 93 (A): -0.806 ----- -0.941 0.349 -0.103 0.322 RESID 94 (D): 1.210 ----- -0.822 -1.204 -0.255 0.745 RESID 95 (S): -1.899 ----- -1.465 0.462 -0.102 -1.030 RESID 96 (R): 4.545 ----- -0.151 1.537 -0.267 0.401 RESID 97 (L): -1.061 ----- 1.663 0.363 -1.752 1.306 RESID 98 (V): 1.273 ----- 0.657 0.892 0.627 1.511 RESID 99 (V): -3.826 ----- 0.635 -0.628 1.014 1.043 RESID 100 (A): 0.899 ----- 0.841 2.028 -1.918 0.621 RESID 101 (K): -3.974 ----- -0.228 0.393 -0.503 -1.068 RESID 102 (N): -1.147 ----- 0.266 -2.309 -1.614 -0.253 RESID 103 (S): 0.142 ----- 2.719 0.693 0.398 0.114 RESID 104 (D): -0.775 ----- 1.529 -1.020 -0.548 0.009 RESID 105 (I): -2.037 ----- -0.815 3.043 -3.070 -0.372 RESID 106 (Q): -0.406 ----- 0.895 -0.695 1.166 -0.315 RESID 107 (P): ----- ----- -0.492 -1.780 -4.169 ----- RESID 108 (T): -3.114 ----- -0.385 -3.924 -0.938 0.866 RESID 109 (V): -1.384 ----- 0.362 0.846 -2.189 0.293 RESID 110 (E): -3.914 ----- -0.269 -0.860 -0.879 0.030 RESID 111 (S): -0.224 ----- 0.584 -1.616 1.225 -1.057 RESID 112 (L): -4.315 ----- 0.009 -0.775 0.098 0.350 RESID 113 (K): 1.773 ----- 0.701 0.606 -1.391 -0.299 RESID 114 (G): 0.964 ----- -0.600 -0.097 ----- 0.103 RESID 115 (K): -1.170 ----- -1.306 -1.077 -1.278 0.646 RESID 116 (R): -1.338 ----- 0.552 -1.089 0.573 1.058 RESID 117 (V): 3.100 ----- 0.299 -0.278 -1.867 0.659 RESID 118 (G): 0.528 ----- -0.314 1.431 ----- 1.345 RESID 119 (V): -5.796 ----- 0.099 -2.168 -0.640 -0.149 RESID 120 (L): 0.311 ----- 1.227 -0.265 -1.497 0.127 RESID 121 (Q): 0.854 ----- -0.353 -0.387 -1.611 0.298 RESID 122 (G): 0.037 ----- 1.551 -0.229 ----- 0.569 RESID 123 (T): -1.683 ----- 2.382 0.283 2.858 -0.512 RESID 124 (T): 1.353 ----- 1.572 -0.646 -0.990 0.278 RESID 125 (Q): -1.834 ----- 0.218 1.897 -2.741 -0.751 RESID 126 (E): 2.126 ----- -1.297 -0.194 -0.909 -0.094 RESID 127 (T): 1.570 ----- -0.150 -0.498 -1.142 0.561 RESID 128 (F): -0.054 ----- 0.467 0.857 -0.120 0.297 RESID 129 (G): -0.108 ----- -0.369 -0.529 ----- -0.254 RESID 130 (N): 4.564 ----- 0.373 0.071 -0.626 0.353 RESID 131 (E): 2.251 ----- 0.801 1.229 -1.409 0.424 RESID 132 (H): -6.041 ----- 0.338 -1.885 0.700 -0.005 RESID 133 (W): 1.854 ----- 0.611 -0.977 0.679 0.153 RESID 134 (A): 0.748 ----- 0.477 0.781 -0.810 1.173 RESID 135 (P): ----- ----- -0.211 0.310 -0.182 ----- RESID 136 (K): -0.444 ----- -1.139 -2.396 -0.596 -0.469 RESID 137 (G): -2.252 ----- 0.768 0.369 ----- 0.194 RESID 138 (I): 5.002 ----- -0.372 0.352 -1.733 -0.590 RESID 139 (E): 1.138 ----- -1.192 0.438 -1.718 -0.099 RESID 140 (I): 7.923 ----- 1.375 -1.911 -6.217 0.292 RESID 141 (V): 7.999 ----- -0.034 -0.082 -3.897 0.266 RESID 142 (S): 2.674 ----- 1.404 0.608 -0.188 0.134 RESID 143 (Y): -2.506 ----- -0.528 -0.355 0.900 -0.352 RESID 144 (Q): -0.189 ----- 1.029 0.587 -1.452 0.243 RESID 145 (G): -0.512 ----- -0.660 0.012 ----- -0.328 RESID 146 (Q): 1.464 ----- -0.157 -1.013 -0.445 0.089 RESID 147 (D): -0.512 ----- 0.427 -0.192 -0.854 -0.037 RESID 148 (N): -0.253 ----- -0.634 -0.432 0.605 -1.070 RESID 149 (I): 0.029 ----- -0.119 -0.624 -1.700 -0.306 RESID 150 (Y): -0.793 ----- 0.733 -1.923 -1.675 -0.490 RESID 151 (S): 2.102 ----- -0.019 -0.391 -0.111 -0.073 RESID 152 (D): -0.910 ----- 0.666 -0.282 -2.134 -0.087 RESID 153 (L): 2.892 ----- 1.752 0.606 -0.197 0.514 RESID 154 (T): -1.587 ----- 1.307 -1.551 -0.296 0.083 RESID 155 (A): 1.692 ----- 0.158 -0.665 -0.367 0.377 RESID 156 (G): 0.693 ----- -0.263 0.243 ----- -0.102 RESID 157 (R): -0.217 ----- 0.882 -0.352 -0.369 0.302 RESID 158 (I): -3.932 ----- -0.595 0.689 -0.996 -0.008 RESID 159 (D): -4.712 ----- -0.952 -0.429 1.921 0.181 RESID 160 (A): -0.050 ----- 0.581 -1.294 1.677 0.538 RESID 161 (A): 1.620 ----- -0.190 -0.527 -0.507 0.923 RESID 162 (F): 2.566 ----- -2.094 -3.718 0.584 0.531 RESID 163 (Q): 1.228 ----- -0.289 -0.090 1.242 -0.414 RESID 164 (D): 1.093 ----- -1.445 1.069 0.331 -0.136 RESID 165 (E): 5.784 ----- -0.409 0.105 0.200 -0.152 RESID 166 (V): 1.266 ----- 1.028 0.129 -0.171 0.578 RESID 167 (A): 3.162 ----- 3.407 0.271 -0.124 0.751 RESID 168 (A): -0.889 ----- 0.075 -0.357 0.322 0.468 RESID 169 (S): -0.858 ----- -0.555 -1.750 0.468 -0.115 RESID 170 (E): -4.793 ----- 1.382 -0.467 0.749 0.980 RESID 171 (G): -1.575 ----- -1.330 -0.314 ----- 0.796 RESID 172 (F): -2.428 ----- -2.507 -0.449 1.661 -1.006 RESID 173 (L): 0.047 ----- 0.705 0.782 -1.804 0.944 RESID 174 (K): -1.820 ----- 0.530 -0.808 -0.903 0.481 RESID 175 (Q): 1.652 ----- 2.036 0.291 -3.013 -0.137 RESID 176 (P): ----- ----- 1.947 0.665 -0.814 ----- RESID 177 (V): -4.923 ----- -2.024 -3.106 0.074 -0.219 RESID 178 (G): 3.934 ----- 0.197 -2.152 ----- -0.727 RESID 179 (K): 1.788 ----- -0.552 -0.100 -1.036 -0.384 RESID 180 (D): -0.001 ----- -1.957 -1.949 -1.655 0.588 RESID 181 (Y): 5.567 ----- -1.171 0.152 -0.513 0.333 RESID 182 (K): -1.749 ----- 0.619 -2.132 2.284 0.649 RESID 183 (F): -4.298 ----- 2.831 -1.319 -4.551 0.613 RESID 184 (G): 4.312 ----- -1.398 1.890 ----- 0.260 RESID 185 (G): 0.795 ----- -1.797 -1.034 ----- -0.779 RESID 186 (P): ----- ----- -0.698 -2.509 0.770 ----- RESID 187 (S): -6.637 ----- -0.350 0.456 -2.397 0.122 RESID 188 (V): 1.552 ----- 0.269 -0.538 -2.007 1.238 RESID 189 (K): 2.802 ----- 2.613 -1.500 -0.930 -0.013 RESID 190 (D): -1.753 ----- -1.592 2.156 2.185 0.533 RESID 191 (E): 2.501 ----- -0.267 0.858 -1.103 0.389 RESID 192 (K): -1.306 ----- 0.075 -0.796 -0.457 -0.863 RESID 193 (L): -0.353 ----- -0.628 -1.147 0.403 1.148 RESID 194 (F): 1.580 ----- 2.334 -2.601 -1.997 0.672 RESID 195 (G): -1.955 ----- -0.385 -0.805 ----- -0.129 RESID 196 (V): -11.435 ----- -0.527 -3.310 -1.523 -0.271 RESID 197 (G): 2.880 ----- 0.279 -2.063 ----- 0.536 RESID 198 (T): -4.239 ----- -0.363 -0.252 -0.240 -0.184 RESID 199 (G): -4.411 ----- -0.502 -1.778 ----- 0.078 RESID 200 (M): 1.838 ----- 0.162 0.338 -2.034 -0.283 RESID 201 (G): 1.618 ----- -0.632 0.222 ----- 0.484 RESID 202 (L): 0.024 ----- 0.137 0.898 -0.214 0.129 RESID 203 (R): 1.396 ----- 2.486 1.604 -1.649 2.004 RESID 204 (K): -1.432 ----- 0.661 -0.145 -0.233 0.574 RESID 205 (E): -3.383 ----- -0.238 -1.044 -1.152 0.803 RESID 206 (D): 5.210 ----- 0.787 0.033 -1.168 -0.752 RESID 207 (N): -0.338 ----- -0.119 0.513 -0.073 -0.884 RESID 208 (E): 1.539 ----- 1.428 0.892 -1.813 0.440 RESID 209 (L): 2.488 ----- -1.107 -0.114 -1.171 0.514 RESID 210 (R): 0.284 ----- -0.805 0.211 0.087 -0.763 RESID 211 (E): -3.047 ----- 1.278 -0.117 -0.983 0.585 RESID 212 (A): 0.822 ----- 1.638 0.086 -0.967 0.532 RESID 213 (L): 1.600 ----- -1.237 -0.444 0.309 0.278 RESID 214 (N): 2.754 ----- 1.853 -0.606 -0.814 0.069 RESID 215 (K): 2.455 ----- -0.118 -0.315 -0.749 -0.376 RESID 216 (A): 0.452 ----- -0.012 -0.743 0.433 -0.310 RESID 217 (F): -0.637 ----- 0.224 1.114 -1.063 0.586 RESID 218 (A): 0.083 ----- 2.428 -0.400 -1.333 -0.206 RESID 219 (E): 0.971 ----- -0.409 -0.268 -1.159 0.106 RESID 220 (M): 2.710 ----- 0.436 -2.018 0.152 0.131 RESID 221 (R): 0.796 ----- 0.412 -0.224 -2.380 0.233 RESID 222 (A): 0.414 ----- 0.381 -0.442 -0.526 0.075 RESID 223 (D): 0.503 ----- 0.638 -0.109 -0.830 0.112 RESID 224 (G): -2.252 ----- 0.007 -1.280 ----- -0.335 RESID 225 (T): 5.282 ----- 0.371 -0.213 -1.915 0.357 RESID 226 (Y): -0.204 ----- -0.905 0.198 0.075 0.394 RESID 227 (E): -0.501 ----- -0.493 -0.526 -0.311 -0.437 RESID 228 (K): -1.302 ----- 0.438 -0.231 -0.898 -0.816 RESID 229 (L): -0.276 ----- 0.483 -0.740 -0.346 -0.003 RESID 230 (A): -0.951 ----- 1.247 -0.651 -0.149 0.579 RESID 231 (K): -1.130 ----- -0.748 -1.519 -0.985 -0.009 RESID 232 (K): 0.425 ----- -2.374 -0.821 -1.495 -0.375 RESID 233 (Y): -3.052 ----- -0.687 -3.130 0.429 -1.031 RESID 234 (F): 2.858 ----- 2.358 -1.768 -1.578 -0.133 RESID 235 (D): 2.318 ----- -0.286 -0.628 0.778 0.289 RESID 236 (F): -5.133 ----- -0.045 -2.711 0.006 -0.612 RESID 237 (D): -2.158 ----- -1.341 0.332 -2.746 0.200 RESID 238 (V): 7.297 ----- -1.439 -3.261 0.590 -0.986 RESID 239 (Y): 4.368 ----- -1.988 0.824 0.203 0.500 RESID 240 (G): -0.286 ----- -0.299 0.620 ----- -0.992 DATA CS_STAT_INFO N RMS: 2.905 ppm Count: 226 Average Difference: -0.143 +/- 2.908 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.292 ppm Count: 236 Average Difference: -0.106 +/- 1.290 ppm DATA CS_STAT_INFO CA RMS: 1.332 ppm Count: 236 Average Difference: 0.532 +/- 1.223 ppm DATA CS_STAT_INFO CB RMS: 2.457 ppm Count: 215 Average Difference: 0.514 +/- 2.408 ppm DATA CS_STAT_INFO HN RMS: 0.591 ppm Count: 226 Average Difference: -0.118 +/- 0.580 ppm ############################################################################ For conformer 8: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.308 -0.008 RESID 5 (I): C 174.300 174.300 174.337 -0.037 RESID 5 (I): CA 57.710 57.710 59.838 -2.128 RESID 5 (I): CB 37.260 37.260 37.781 -0.521 RESID 5 (I): H 7.868 7.868 8.226 -0.358 RESID 6 (P): C 176.100 176.100 177.490 -1.390 RESID 6 (P): CA 62.180 62.180 62.994 -0.814 RESID 6 (P): CB 31.620 31.620 32.094 -0.474 RESID 7 (Q): N 119.200 119.200 120.067 -0.867 RESID 7 (Q): C 175.600 175.600 175.605 -0.005 RESID 7 (Q): CA 57.190 57.190 58.180 -0.990 RESID 7 (Q): CB 28.500 28.500 29.059 -0.559 RESID 7 (Q): H 8.380 8.380 8.638 -0.258 RESID 8 (N): N 116.300 116.300 114.676 1.624 RESID 8 (N): C 173.600 173.600 174.129 -0.529 RESID 8 (N): CA 51.720 51.720 52.276 -0.555 RESID 8 (N): CB 40.540 40.540 41.468 -0.928 RESID 8 (N): H 7.472 7.472 7.808 -0.336 RESID 9 (I): N 121.000 121.000 122.996 -1.996 RESID 9 (I): C 174.700 174.700 174.937 -0.237 RESID 9 (I): CA 59.480 59.480 60.089 -0.609 RESID 9 (I): CB 39.740 39.740 40.120 -0.380 RESID 9 (I): H 8.416 8.416 9.137 -0.721 RESID 10 (R): N 126.500 126.500 127.141 -0.641 RESID 10 (R): C 175.800 175.800 175.501 0.299 RESID 10 (R): CA 53.950 53.950 55.460 -1.510 RESID 10 (R): CB 30.670 30.670 31.336 -0.666 RESID 10 (R): H 9.098 9.098 8.886 0.212 RESID 11 (I): N 127.500 127.500 124.669 2.831 RESID 11 (I): C 175.600 175.600 175.060 0.540 RESID 11 (I): CA 59.480 59.480 59.324 0.156 RESID 11 (I): CB 37.460 37.460 42.010 -4.550 RESID 11 (I): H 9.279 9.279 9.105 0.174 RESID 12 (G): N 114.800 114.800 113.663 1.137 RESID 12 (G): C 171.700 171.700 172.963 -1.263 RESID 12 (G): CA 44.540 44.540 44.283 0.257 RESID 12 (G): H 9.382 9.382 8.495 0.887 RESID 13 (T): N 120.600 120.600 121.682 -1.082 RESID 13 (T): C 181.600 181.600 173.063 8.537 RESID 13 (T): CA 61.470 61.470 62.034 -0.564 RESID 13 (T): CB 69.970 69.970 71.829 -1.859 RESID 13 (T): H 8.594 8.594 8.058 0.536 RESID 14 (D): N 127.000 127.000 127.685 -0.685 RESID 14 (D): C 177.500 177.500 174.596 2.904 RESID 14 (D): CA 49.760 49.760 50.299 -0.539 RESID 14 (D): CB 40.580 40.580 42.465 -1.885 RESID 14 (D): H 8.200 8.200 8.674 -0.474 RESID 15 (P): C 175.400 175.400 176.405 -1.005 RESID 15 (P): CA 61.920 61.920 63.268 -1.348 RESID 15 (P): CB 27.890 27.890 32.393 -4.503 RESID 16 (T): N 116.200 116.200 111.542 4.658 RESID 16 (T): C 174.000 174.000 174.042 -0.042 RESID 16 (T): CA 59.560 59.560 62.119 -2.559 RESID 16 (T): CB 68.650 68.650 69.926 -1.276 RESID 16 (T): H 8.739 8.739 8.190 0.549 RESID 17 (Y): N 125.800 125.800 121.903 3.897 RESID 17 (Y): C 175.200 175.200 175.576 -0.376 RESID 17 (Y): CA 54.180 54.180 56.151 -1.971 RESID 17 (Y): CB 38.700 38.700 38.541 0.159 RESID 17 (Y): H 8.943 8.943 8.054 0.889 RESID 18 (A): N 132.100 132.100 129.663 2.437 RESID 18 (A): C 176.000 176.000 176.464 -0.464 RESID 18 (A): CA 51.490 51.490 56.073 -4.583 RESID 18 (A): CB 16.070 16.070 16.285 -0.215 RESID 18 (A): H 8.945 8.945 8.918 0.027 RESID 19 (P): C 173.500 173.500 177.825 -4.325 RESID 19 (P): CA 62.890 62.890 65.286 -2.396 RESID 19 (P): CB 31.790 31.790 31.574 0.216 RESID 20 (F): N 125.100 125.100 117.630 7.470 RESID 20 (F): C 176.700 176.700 175.227 1.473 RESID 20 (F): CA 62.420 62.420 59.448 2.972 RESID 20 (F): CB 37.980 37.980 40.930 -2.950 RESID 20 (F): H 8.117 8.117 8.260 -0.143 RESID 21 (E): N 111.800 111.800 114.316 -2.516 RESID 21 (E): C 173.600 173.600 174.475 -0.875 RESID 21 (E): CA 54.400 54.400 55.308 -0.908 RESID 21 (E): CB 28.770 28.770 34.195 -5.425 RESID 21 (E): H 7.701 7.701 8.628 -0.927 RESID 22 (S): N 117.200 117.200 112.931 4.269 RESID 22 (S): C 171.500 171.500 172.281 -0.781 RESID 22 (S): CA 57.290 57.290 58.584 -1.294 RESID 22 (S): CB 62.940 62.940 64.028 -1.088 RESID 22 (S): H 8.750 8.750 8.284 0.466 RESID 23 (K): N 117.400 117.400 119.450 -2.050 RESID 23 (K): C 177.600 177.600 175.052 2.548 RESID 23 (K): CA 53.700 53.700 55.294 -1.594 RESID 23 (K): CB 33.330 33.330 35.076 -1.746 RESID 23 (K): H 8.238 8.238 8.245 -0.007 RESID 24 (N): N 122.400 122.400 121.180 1.220 RESID 24 (N): C 178.000 178.000 177.107 0.893 RESID 24 (N): CA 50.600 50.600 52.058 -1.458 RESID 24 (N): CB 38.140 38.140 40.025 -1.885 RESID 24 (N): H 8.584 8.584 8.720 -0.136 RESID 25 (S): C 175.400 175.400 175.384 0.016 RESID 25 (S): CA 60.970 60.970 60.936 0.034 RESID 25 (S): CB 62.410 62.410 62.493 -0.083 RESID 26 (Q): N 119.300 119.300 119.476 -0.176 RESID 26 (Q): C 176.200 176.200 176.797 -0.597 RESID 26 (Q): CA 55.180 55.180 55.660 -0.480 RESID 26 (Q): CB 28.260 28.260 28.704 -0.444 RESID 26 (Q): H 7.520 7.520 8.331 -0.811 RESID 27 (G): N 108.800 108.800 107.627 1.173 RESID 27 (G): C 173.700 173.700 174.113 -0.413 RESID 27 (G): CA 45.050 45.050 45.085 -0.035 RESID 27 (G): H 8.169 8.169 7.857 0.312 RESID 28 (E): N 121.200 121.200 120.638 0.562 RESID 28 (E): C 175.800 175.800 175.627 0.173 RESID 28 (E): CA 54.490 54.490 55.908 -1.418 RESID 28 (E): CB 29.750 29.750 30.642 -0.892 RESID 28 (E): H 7.836 7.836 8.064 -0.228 RESID 29 (L): N 123.500 123.500 120.375 3.125 RESID 29 (L): C 176.400 176.400 175.190 1.210 RESID 29 (L): CA 54.310 54.310 53.791 0.519 RESID 29 (L): CB 41.180 41.180 43.446 -2.266 RESID 29 (L): H 8.281 8.281 8.248 0.033 RESID 30 (V): N 118.200 118.200 121.290 -3.090 RESID 30 (V): C 175.300 175.300 173.655 1.645 RESID 30 (V): CA 58.360 58.360 59.977 -1.617 RESID 30 (V): CB 36.080 36.080 36.127 -0.047 RESID 30 (V): H 8.900 8.900 7.646 1.254 RESID 31 (G): N 109.800 109.800 109.856 -0.056 RESID 31 (G): C 174.400 174.400 173.453 0.947 RESID 31 (G): CA 43.830 43.830 45.101 -1.271 RESID 31 (G): H 8.611 8.611 7.408 1.203 RESID 32 (F): N 119.900 119.900 122.236 -2.336 RESID 32 (F): C 177.900 177.900 176.158 1.742 RESID 32 (F): CA 59.800 59.800 60.357 -0.557 RESID 32 (F): CB 38.950 38.950 39.409 -0.459 RESID 32 (F): H 8.295 8.295 8.291 0.004 RESID 33 (D): N 116.500 116.500 119.152 -2.652 RESID 33 (D): C 179.100 179.100 178.032 1.068 RESID 33 (D): CA 56.180 56.180 56.737 -0.557 RESID 33 (D): CB 38.610 38.610 40.377 -1.767 RESID 33 (D): H 8.935 8.935 7.349 1.586 RESID 34 (I): N 118.800 118.800 119.591 -0.791 RESID 34 (I): C 178.000 178.000 177.703 0.297 RESID 34 (I): CA 60.950 60.950 64.724 -3.774 RESID 34 (I): CB 33.620 33.620 37.769 -4.149 RESID 34 (I): H 6.535 6.535 7.751 -1.216 RESID 35 (D): N 121.000 121.000 119.701 1.299 RESID 35 (D): C 180.300 180.300 178.431 1.869 RESID 35 (D): CA 57.100 57.100 57.516 -0.416 RESID 35 (D): CB 40.420 40.420 40.431 -0.011 RESID 35 (D): H 8.536 8.536 7.932 0.604 RESID 36 (L): N 120.500 120.500 120.913 -0.413 RESID 36 (L): C 178.500 178.500 177.982 0.518 RESID 36 (L): CA 57.720 57.720 57.766 -0.046 RESID 36 (L): CB 42.230 42.230 41.571 0.659 RESID 36 (L): H 8.508 8.508 7.233 1.275 RESID 37 (A): N 120.200 120.200 121.845 -1.645 RESID 37 (A): C 178.600 178.600 179.562 -0.962 RESID 37 (A): CA 55.170 55.170 55.298 -0.128 RESID 37 (A): CB 17.340 17.340 18.469 -1.129 RESID 37 (A): H 8.383 8.383 7.665 0.718 RESID 38 (K): N 116.400 116.400 119.316 -2.916 RESID 38 (K): C 180.100 180.100 179.159 0.941 RESID 38 (K): CA 60.530 60.530 60.020 0.510 RESID 38 (K): CB 31.840 31.840 32.349 -0.508 RESID 38 (K): H 8.780 8.780 8.183 0.597 RESID 39 (E): N 121.500 121.500 119.354 2.146 RESID 39 (E): C 178.300 178.300 179.377 -1.077 RESID 39 (E): CA 58.430 58.430 59.321 -0.891 RESID 39 (E): CB 27.990 27.990 29.510 -1.520 RESID 39 (E): H 7.692 7.692 7.780 -0.088 RESID 40 (L): N 121.500 121.500 120.434 1.066 RESID 40 (L): C 178.700 178.700 178.832 -0.132 RESID 40 (L): CA 58.490 58.490 58.298 0.192 RESID 40 (L): CB 40.250 40.250 41.750 -1.500 RESID 40 (L): H 8.563 8.563 7.898 0.665 RESID 41 (C): N 115.700 115.700 118.404 -2.704 RESID 41 (C): C 175.800 175.800 177.487 -1.687 RESID 41 (C): CA 62.390 62.390 62.733 -0.343 RESID 41 (C): CB 46.860 46.860 25.441 21.419 RESID 41 (C): H 8.598 8.598 8.698 -0.100 RESID 42 (K): N 119.300 119.300 119.624 -0.324 RESID 42 (K): C 180.800 180.800 179.131 1.669 RESID 42 (K): CA 58.810 58.810 59.450 -0.640 RESID 42 (K): CB 31.430 31.430 32.354 -0.924 RESID 42 (K): H 7.490 7.490 8.059 -0.569 RESID 43 (R): N 119.500 119.500 118.012 1.488 RESID 43 (R): C 178.700 178.700 178.672 0.028 RESID 43 (R): CA 58.760 58.760 58.449 0.311 RESID 43 (R): CB 29.980 29.980 30.215 -0.235 RESID 43 (R): H 8.057 8.057 7.543 0.514 RESID 44 (I): N 111.800 111.800 117.580 -5.780 RESID 44 (I): C 175.000 175.000 175.856 -0.856 RESID 44 (I): CA 60.940 60.940 63.137 -2.197 RESID 44 (I): CB 36.630 36.630 38.191 -1.562 RESID 44 (I): H 7.765 7.765 8.438 -0.673 RESID 45 (N): N 118.800 118.800 115.660 3.140 RESID 45 (N): C 173.600 173.600 173.935 -0.335 RESID 45 (N): CA 53.670 53.670 54.625 -0.955 RESID 45 (N): CB 36.620 36.620 35.917 0.703 RESID 45 (N): H 7.752 7.752 8.088 -0.336 RESID 46 (T): N 112.800 112.800 105.636 7.164 RESID 46 (T): C 173.100 173.100 172.807 0.293 RESID 46 (T): CA 60.020 60.020 60.319 -0.299 RESID 46 (T): CB 70.500 70.500 71.818 -1.318 RESID 46 (T): H 7.920 7.920 7.932 -0.012 RESID 47 (Q): N 123.500 123.500 119.952 3.548 RESID 47 (Q): C 175.400 175.400 174.580 0.820 RESID 47 (Q): CA 54.550 54.550 55.083 -0.533 RESID 47 (Q): CB 28.670 28.670 30.550 -1.880 RESID 47 (Q): H 8.037 8.037 8.293 -0.256 RESID 48 (C): N 123.800 123.800 124.206 -0.406 RESID 48 (C): C 173.800 173.800 174.384 -0.584 RESID 48 (C): CA 53.170 53.170 57.879 -4.709 RESID 48 (C): CB 47.290 47.290 29.417 17.873 RESID 48 (C): H 8.881 8.881 8.665 0.216 RESID 49 (T): N 118.600 118.600 120.552 -1.952 RESID 49 (T): C 172.700 172.700 172.515 0.185 RESID 49 (T): CA 60.210 60.210 61.250 -1.040 RESID 49 (T): CB 70.980 70.980 71.001 -0.021 RESID 49 (T): H 8.324 8.324 8.830 -0.506 RESID 50 (F): N 123.800 123.800 125.876 -2.076 RESID 50 (F): C 175.800 175.800 175.910 -0.110 RESID 50 (F): CA 57.370 57.370 57.227 0.143 RESID 50 (F): CB 40.730 40.730 40.383 0.347 RESID 50 (F): H 8.982 8.982 8.592 0.390 RESID 51 (V): N 126.300 126.300 123.392 2.908 RESID 51 (V): C 174.700 174.700 174.657 0.043 RESID 51 (V): CA 60.650 60.650 60.653 -0.003 RESID 51 (V): CB 33.700 33.700 35.464 -1.764 RESID 51 (V): H 9.271 9.271 8.981 0.290 RESID 52 (E): N 126.900 126.900 128.888 -1.988 RESID 52 (E): C 176.900 176.900 175.118 1.782 RESID 52 (E): CA 54.480 54.480 57.497 -3.017 RESID 52 (E): CB 29.350 29.350 30.352 -1.002 RESID 52 (E): H 8.617 8.617 8.761 -0.144 RESID 53 (N): N 127.100 127.100 120.047 7.053 RESID 53 (N): C 170.600 170.600 172.608 -2.008 RESID 53 (N): CA 51.220 51.220 50.990 0.230 RESID 53 (N): CB 43.980 43.980 38.413 5.567 RESID 53 (N): H 8.917 8.917 8.123 0.794 RESID 54 (P): C 178.600 178.600 178.632 -0.032 RESID 54 (P): CA 61.650 61.650 62.371 -0.721 RESID 54 (P): CB 31.460 31.460 33.246 -1.786 RESID 55 (L): N 124.200 124.200 124.433 -0.233 RESID 55 (L): C 179.600 179.600 178.706 0.894 RESID 55 (L): CA 58.130 58.130 59.203 -1.073 RESID 55 (L): CB 41.470 41.470 41.463 0.007 RESID 55 (L): H 9.096 9.096 8.694 0.402 RESID 56 (D): N 115.400 115.400 118.997 -3.597 RESID 56 (D): C 176.500 176.500 177.327 -0.827 RESID 56 (D): CA 56.080 56.080 56.844 -0.764 RESID 56 (D): CB 39.640 39.640 40.183 -0.543 RESID 56 (D): H 8.651 8.651 8.522 0.129 RESID 57 (A): N 120.400 120.400 119.935 0.465 RESID 57 (A): C 180.000 180.000 178.951 1.049 RESID 57 (A): CA 51.440 51.440 53.640 -2.200 RESID 57 (A): CB 19.170 19.170 19.640 -0.470 RESID 57 (A): H 8.079 8.079 8.349 -0.270 RESID 58 (L): N 122.300 122.300 121.175 1.125 RESID 58 (L): C 177.800 177.800 178.767 -0.967 RESID 58 (L): CA 58.960 58.960 58.105 0.855 RESID 58 (L): CB 40.150 40.150 41.924 -1.774 RESID 58 (L): H 7.783 7.783 8.041 -0.258 RESID 59 (I): N 119.600 119.600 119.468 0.132 RESID 59 (I): C 176.400 176.400 175.123 1.277 RESID 59 (I): CA 68.170 68.170 66.543 1.627 RESID 59 (I): CB 33.980 33.980 34.708 -0.728 RESID 59 (I): H 9.094 9.094 7.720 1.374 RESID 60 (P): C 180.100 180.100 179.216 0.884 RESID 60 (P): CA 65.890 65.890 66.530 -0.640 RESID 60 (P): CB 29.980 29.980 31.250 -1.270 RESID 61 (S): N 114.800 114.800 114.929 -0.129 RESID 61 (S): C 175.500 175.500 176.688 -1.188 RESID 61 (S): CA 62.170 62.170 61.866 0.304 RESID 61 (S): H 7.865 7.865 8.262 -0.397 RESID 62 (L): N 126.200 126.200 123.083 3.117 RESID 62 (L): C 181.000 181.000 178.992 2.008 RESID 62 (L): CA 57.400 57.400 57.730 -0.330 RESID 62 (L): CB 41.820 41.820 41.785 0.035 RESID 62 (L): H 8.296 8.296 8.127 0.169 RESID 63 (K): N 121.000 121.000 119.093 1.907 RESID 63 (K): C 178.000 178.000 177.894 0.106 RESID 63 (K): CA 59.500 59.500 59.168 0.332 RESID 63 (K): CB 30.770 30.770 32.497 -1.727 RESID 63 (K): H 8.461 8.461 7.797 0.664 RESID 64 (A): N 118.700 118.700 118.684 0.016 RESID 64 (A): C 176.200 176.200 176.669 -0.469 RESID 64 (A): CA 51.680 51.680 51.984 -0.304 RESID 64 (A): CB 18.140 18.140 18.603 -0.463 RESID 64 (A): H 7.686 7.686 7.940 -0.254 RESID 65 (K): N 112.200 112.200 114.037 -1.837 RESID 65 (K): C 176.000 176.000 176.456 -0.456 RESID 65 (K): CA 57.800 57.800 57.973 -0.173 RESID 65 (K): CB 27.730 27.730 29.910 -2.179 RESID 65 (K): H 7.751 7.751 7.673 0.078 RESID 66 (K): N 118.300 118.300 115.415 2.885 RESID 66 (K): C 176.600 176.600 177.131 -0.531 RESID 66 (K): CA 57.200 57.200 58.427 -1.227 RESID 66 (K): CB 32.170 32.170 33.008 -0.838 RESID 66 (K): H 8.415 8.415 7.812 0.603 RESID 67 (I): N 107.500 107.500 112.442 -4.942 RESID 67 (I): C 174.000 174.000 175.402 -1.402 RESID 67 (I): CA 59.050 59.050 59.010 0.040 RESID 67 (I): CB 40.470 40.470 41.054 -0.584 RESID 67 (I): H 7.034 7.034 7.264 -0.230 RESID 68 (D): N 119.000 119.000 121.772 -2.772 RESID 68 (D): C 172.200 172.200 175.784 -3.584 RESID 68 (D): CA 55.560 55.560 55.456 0.104 RESID 68 (D): CB 44.210 44.210 42.511 1.699 RESID 68 (D): H 9.739 9.739 8.586 1.153 RESID 69 (A): N 117.400 117.400 117.780 -0.380 RESID 69 (A): C 175.900 175.900 174.862 1.038 RESID 69 (A): CA 50.120 50.120 51.220 -1.100 RESID 69 (A): CB 21.960 21.960 21.983 -0.023 RESID 69 (A): H 7.660 7.660 7.601 0.059 RESID 70 (I): N 120.500 120.500 120.441 0.059 RESID 70 (I): C 174.500 174.500 174.421 0.079 RESID 70 (I): CA 60.060 60.060 60.659 -0.599 RESID 70 (I): CB 41.190 41.190 41.017 0.173 RESID 70 (I): H 9.402 9.402 8.039 1.363 RESID 71 (M): N 128.300 128.300 129.436 -1.136 RESID 71 (M): C 172.500 172.500 173.879 -1.379 RESID 71 (M): CA 53.040 53.040 54.918 -1.878 RESID 71 (M): CB 33.940 33.940 34.703 -0.763 RESID 71 (M): H 8.431 8.431 8.296 0.135 RESID 72 (S): N 122.700 122.700 120.744 1.956 RESID 72 (S): C 172.800 172.800 173.772 -0.972 RESID 72 (S): CA 57.630 57.630 56.713 0.917 RESID 72 (S): CB 64.590 64.590 65.069 -0.479 RESID 72 (S): H 8.717 8.717 8.575 0.142 RESID 73 (S): N 120.600 120.600 116.491 4.109 RESID 73 (S): C 174.900 174.900 175.026 -0.126 RESID 73 (S): CA 58.590 58.590 59.926 -1.336 RESID 73 (S): CB 62.920 62.920 63.094 -0.174 RESID 73 (S): H 8.570 8.570 8.650 -0.080 RESID 74 (L): N 120.700 120.700 123.411 -2.711 RESID 74 (L): C 175.300 175.300 175.770 -0.470 RESID 74 (L): CA 54.320 54.320 55.584 -1.264 RESID 74 (L): CB 42.350 42.350 42.573 -0.223 RESID 74 (L): H 8.678 8.678 7.729 0.949 RESID 75 (S): N 122.000 122.000 119.946 2.054 RESID 75 (S): C 174.500 174.500 173.605 0.895 RESID 75 (S): CA 59.250 59.250 57.063 2.187 RESID 75 (S): CB 63.060 63.060 64.745 -1.685 RESID 75 (S): H 8.142 8.142 7.888 0.254 RESID 76 (I): N 125.200 125.200 115.638 9.562 RESID 76 (I): C 175.500 175.500 174.629 0.871 RESID 76 (I): CA 61.340 61.340 59.508 1.832 RESID 76 (I): CB 35.790 35.790 39.700 -3.909 RESID 76 (I): H 8.307 8.307 8.306 0.001 RESID 77 (T): N 116.600 116.600 113.474 3.126 RESID 77 (T): C 174.800 174.800 175.067 -0.267 RESID 77 (T): CA 57.760 57.760 59.999 -2.239 RESID 77 (T): CB 71.570 71.570 72.290 -0.720 RESID 77 (T): H 6.513 6.513 7.533 -1.020 RESID 78 (E): N 124.500 124.500 124.951 -0.451 RESID 78 (E): C 179.500 179.500 177.871 1.629 RESID 78 (E): CA 59.140 59.140 60.877 -1.737 RESID 78 (E): CB 28.630 28.630 29.272 -0.642 RESID 78 (E): H 8.935 8.935 8.898 0.037 RESID 79 (K): N 118.400 118.400 118.298 0.102 RESID 79 (K): C 180.600 180.600 179.022 1.578 RESID 79 (K): CA 58.890 58.890 59.189 -0.299 RESID 79 (K): CB 31.610 31.610 32.302 -0.692 RESID 79 (K): H 8.415 8.415 8.367 0.048 RESID 80 (R): N 118.500 118.500 118.826 -0.326 RESID 80 (R): C 179.100 179.100 178.956 0.144 RESID 80 (R): CA 59.580 59.580 59.195 0.385 RESID 80 (R): CB 30.380 30.380 30.076 0.304 RESID 80 (R): H 7.678 7.678 7.398 0.280 RESID 81 (Q): N 119.000 119.000 119.741 -0.741 RESID 81 (Q): C 176.600 176.600 179.035 -2.435 RESID 81 (Q): CA 57.510 57.510 59.082 -1.572 RESID 81 (Q): CB 28.880 28.880 28.536 0.344 RESID 81 (Q): H 8.418 8.418 8.314 0.104 RESID 82 (Q): N 115.300 115.300 117.979 -2.679 RESID 82 (Q): C 177.400 177.400 177.784 -0.384 RESID 82 (Q): CA 57.280 57.280 58.439 -1.159 RESID 82 (Q): CB 27.950 27.950 28.466 -0.516 RESID 82 (Q): H 7.297 7.297 7.990 -0.693 RESID 83 (E): N 115.600 115.600 117.735 -2.135 RESID 83 (E): C 176.400 176.400 177.312 -0.912 RESID 83 (E): CA 56.950 56.950 58.389 -1.439 RESID 83 (E): CB 33.090 33.090 31.179 1.911 RESID 83 (E): H 7.627 7.627 7.930 -0.303 RESID 84 (I): N 115.100 115.100 111.859 3.241 RESID 84 (I): C 172.600 172.600 173.950 -1.350 RESID 84 (I): CA 59.380 59.380 58.908 0.472 RESID 84 (I): CB 40.830 40.830 41.499 -0.669 RESID 84 (I): H 8.275 8.275 7.969 0.306 RESID 85 (A): N 120.600 120.600 120.373 0.227 RESID 85 (A): C 175.000 175.000 175.255 -0.255 RESID 85 (A): CA 49.150 49.150 50.267 -1.117 RESID 85 (A): CB 22.280 22.280 21.433 0.847 RESID 85 (A): H 8.679 8.679 8.430 0.249 RESID 86 (F): N 115.500 115.500 119.027 -3.527 RESID 86 (F): C 178.800 178.800 175.814 2.986 RESID 86 (F): CA 55.850 55.850 56.901 -1.051 RESID 86 (F): CB 44.300 44.300 44.065 0.235 RESID 86 (F): H 8.283 8.283 8.602 -0.319 RESID 87 (T): N 108.200 108.200 114.920 -6.720 RESID 87 (T): C 174.700 174.700 173.799 0.901 RESID 87 (T): CA 61.930 61.930 61.203 0.728 RESID 87 (T): CB 72.740 72.740 70.038 2.702 RESID 87 (T): H 7.898 7.898 8.358 -0.460 RESID 88 (D): N 118.400 118.400 120.492 -2.092 RESID 88 (D): C 174.300 174.300 175.635 -1.335 RESID 88 (D): CA 55.030 55.030 55.776 -0.746 RESID 88 (D): CB 40.870 40.870 39.816 1.054 RESID 88 (D): H 8.789 8.789 8.806 -0.017 RESID 89 (K): N 118.100 118.100 116.571 1.529 RESID 89 (K): C 176.200 176.200 176.634 -0.434 RESID 89 (K): CA 55.570 55.570 57.296 -1.726 RESID 89 (K): CB 31.850 31.850 31.526 0.324 RESID 89 (K): H 7.666 7.666 7.702 -0.036 RESID 90 (L): N 123.400 123.400 126.471 -3.071 RESID 90 (L): C 178.000 178.000 177.671 0.329 RESID 90 (L): CA 54.450 54.450 57.228 -2.778 RESID 90 (L): CB 41.710 41.710 43.350 -1.640 RESID 90 (L): H 8.778 8.778 8.759 0.019 RESID 91 (Y): N 110.500 110.500 109.938 0.562 RESID 91 (Y): C 172.600 172.600 173.736 -1.136 RESID 91 (Y): CA 56.070 56.070 55.422 0.648 RESID 91 (Y): CB 37.670 37.670 40.527 -2.857 RESID 91 (Y): H 6.810 6.810 7.144 -0.334 RESID 92 (A): N 123.100 123.100 122.432 0.668 RESID 92 (A): C 175.600 175.600 176.811 -1.211 RESID 92 (A): CA 51.940 51.940 51.192 0.748 RESID 92 (A): CB 20.320 20.320 19.706 0.614 RESID 92 (A): H 8.135 8.135 9.095 -0.960 RESID 93 (A): N 127.000 127.000 127.482 -0.482 RESID 93 (A): C 175.700 175.700 176.635 -0.935 RESID 93 (A): CA 51.020 51.020 50.577 0.443 RESID 93 (A): CB 18.310 18.310 18.411 -0.101 RESID 93 (A): H 8.658 8.658 8.499 0.159 RESID 94 (D): N 122.900 122.900 121.633 1.267 RESID 94 (D): C 175.300 175.300 176.115 -0.815 RESID 94 (D): CA 53.910 53.910 55.124 -1.214 RESID 94 (D): CB 42.030 42.030 42.215 -0.186 RESID 94 (D): H 8.497 8.497 7.734 0.763 RESID 95 (S): N 110.300 110.300 112.113 -1.813 RESID 95 (S): C 171.600 171.600 173.056 -1.456 RESID 95 (S): CA 57.850 57.850 57.339 0.511 RESID 95 (S): CB 66.410 66.410 66.476 -0.066 RESID 95 (S): H 6.844 6.844 7.874 -1.030 RESID 96 (R): N 124.300 124.300 119.648 4.652 RESID 96 (R): C 173.700 173.700 173.831 -0.131 RESID 96 (R): CA 57.450 57.450 55.859 1.591 RESID 96 (R): CB 34.070 34.070 34.355 -0.285 RESID 96 (R): H 9.227 9.227 8.749 0.478 RESID 97 (L): N 124.100 124.100 125.001 -0.901 RESID 97 (L): C 177.600 177.600 175.929 1.671 RESID 97 (L): CA 54.150 54.150 53.751 0.399 RESID 97 (L): CB 42.640 42.640 44.448 -1.808 RESID 97 (L): H 9.343 9.343 8.009 1.334 RESID 98 (V): N 124.500 124.500 123.213 1.287 RESID 98 (V): C 175.700 175.700 175.014 0.686 RESID 98 (V): CA 61.770 61.770 60.883 0.887 RESID 98 (V): CB 32.950 32.950 32.351 0.599 RESID 98 (V): H 9.500 9.500 7.978 1.522 RESID 99 (V): N 116.800 116.800 120.604 -3.804 RESID 99 (V): C 174.600 174.600 173.943 0.657 RESID 99 (V): CA 58.190 58.190 58.861 -0.671 RESID 99 (V): CB 36.780 36.780 35.748 1.032 RESID 99 (V): H 9.192 9.192 8.021 1.171 RESID 100 (A): N 123.400 123.400 122.746 0.654 RESID 100 (A): C 179.200 179.200 178.219 0.981 RESID 100 (A): CA 52.690 52.690 50.662 2.028 RESID 100 (A): CB 18.160 18.160 20.130 -1.970 RESID 100 (A): H 9.043 9.043 8.319 0.724 RESID 101 (K): N 119.600 119.600 123.817 -4.217 RESID 101 (K): C 176.800 176.800 177.143 -0.343 RESID 101 (K): CA 59.360 59.360 58.883 0.477 RESID 101 (K): CB 31.380 31.380 32.003 -0.623 RESID 101 (K): H 7.840 7.840 8.903 -1.063 RESID 102 (N): N 114.400 114.400 115.555 -1.155 RESID 102 (N): C 175.500 175.500 175.246 0.254 RESID 102 (N): CA 52.330 52.330 54.645 -2.315 RESID 102 (N): CB 36.990 36.990 38.595 -1.605 RESID 102 (N): H 7.941 7.941 8.186 -0.245 RESID 103 (S): N 114.800 114.800 114.670 0.130 RESID 103 (S): C 176.000 176.000 173.283 2.717 RESID 103 (S): CA 58.180 58.180 57.501 0.679 RESID 103 (S): CB 64.310 64.310 63.916 0.393 RESID 103 (S): H 7.700 7.700 7.581 0.119 RESID 104 (D): N 128.500 128.500 129.290 -0.790 RESID 104 (D): C 176.700 176.700 175.170 1.530 RESID 104 (D): CA 52.990 52.990 54.019 -1.029 RESID 104 (D): CB 40.330 40.330 40.855 -0.525 RESID 104 (D): H 8.548 8.548 8.536 0.012 RESID 105 (I): N 122.800 122.800 124.530 -1.730 RESID 105 (I): C 173.800 173.800 174.576 -0.776 RESID 105 (I): CA 63.580 63.580 60.614 2.966 RESID 105 (I): CB 37.490 37.490 40.505 -3.015 RESID 105 (I): H 7.826 7.826 8.187 -0.361 RESID 106 (Q): N 124.600 124.600 124.938 -0.338 RESID 106 (Q): C 174.700 174.700 173.819 0.881 RESID 106 (Q): CA 51.380 51.380 52.063 -0.683 RESID 106 (Q): CB 31.050 31.050 29.947 1.103 RESID 106 (Q): H 8.174 8.174 8.496 -0.322 RESID 107 (P): C 175.300 175.300 175.794 -0.494 RESID 107 (P): CA 61.880 61.880 63.656 -1.776 RESID 107 (P): CB 26.860 26.860 31.047 -4.187 RESID 108 (T): N 114.600 114.600 117.731 -3.131 RESID 108 (T): C 174.000 174.000 174.373 -0.373 RESID 108 (T): CA 57.690 57.690 61.614 -3.924 RESID 108 (T): CB 71.020 71.020 71.970 -0.950 RESID 108 (T): H 8.531 8.531 7.649 0.882 RESID 109 (V): N 121.800 121.800 123.177 -1.377 RESID 109 (V): C 177.300 177.300 176.936 0.364 RESID 109 (V): CA 65.600 65.600 64.739 0.861 RESID 109 (V): CB 30.580 30.580 32.770 -2.190 RESID 109 (V): H 8.775 8.775 8.480 0.295 RESID 110 (E): N 116.900 116.900 120.837 -3.937 RESID 110 (E): C 178.400 178.400 178.718 -0.318 RESID 110 (E): CA 59.260 59.260 60.146 -0.886 RESID 110 (E): CB 28.170 28.170 29.060 -0.890 RESID 110 (E): H 8.414 8.414 8.403 0.011 RESID 111 (S): N 113.200 113.200 113.253 -0.053 RESID 111 (S): C 176.500 176.500 175.912 0.588 RESID 111 (S): CA 59.370 59.370 60.981 -1.611 RESID 111 (S): CB 63.730 63.730 62.555 1.175 RESID 111 (S): H 7.387 7.387 8.446 -1.059 RESID 112 (L): N 116.100 116.100 120.232 -4.132 RESID 112 (L): C 176.700 176.700 176.651 0.049 RESID 112 (L): CA 54.580 54.580 55.357 -0.777 RESID 112 (L): CB 42.650 42.650 42.580 0.070 RESID 112 (L): H 7.676 7.676 7.328 0.348 RESID 113 (K): N 121.000 121.000 119.246 1.754 RESID 113 (K): C 178.200 178.200 177.502 0.698 RESID 113 (K): CA 58.850 58.850 58.235 0.615 RESID 113 (K): CB 30.850 30.850 32.238 -1.388 RESID 113 (K): H 7.445 7.445 7.720 -0.275 RESID 114 (G): N 113.900 113.900 112.952 0.948 RESID 114 (G): C 174.200 174.200 174.798 -0.598 RESID 114 (G): CA 45.240 45.240 45.342 -0.101 RESID 114 (G): H 8.454 8.454 8.353 0.101 RESID 115 (K): N 120.600 120.600 121.765 -1.165 RESID 115 (K): C 174.800 174.800 176.113 -1.313 RESID 115 (K): CA 53.710 53.710 54.809 -1.099 RESID 115 (K): CB 31.990 31.990 33.265 -1.275 RESID 115 (K): H 8.530 8.530 7.877 0.653 RESID 116 (R): N 119.300 119.300 120.834 -1.534 RESID 116 (R): C 176.000 176.000 175.423 0.577 RESID 116 (R): CA 54.720 54.720 55.716 -0.996 RESID 116 (R): CB 32.310 32.310 31.808 0.502 RESID 116 (R): H 9.455 9.455 8.431 1.024 RESID 117 (V): N 126.100 126.100 123.242 2.858 RESID 117 (V): C 175.300 175.300 174.967 0.333 RESID 117 (V): CA 60.090 60.090 60.212 -0.122 RESID 117 (V): CB 33.620 33.620 35.538 -1.918 RESID 117 (V): H 9.217 9.217 8.595 0.623 RESID 118 (G): N 114.000 114.000 113.734 0.266 RESID 118 (G): C 172.300 172.300 172.516 -0.216 RESID 118 (G): CA 45.010 45.010 43.617 1.393 RESID 118 (G): H 9.367 9.367 8.080 1.287 RESID 119 (V): N 116.400 116.400 122.398 -5.998 RESID 119 (V): C 174.100 174.100 174.035 0.065 RESID 119 (V): CA 58.270 58.270 60.434 -2.163 RESID 119 (V): CB 36.370 36.370 36.990 -0.620 RESID 119 (V): H 9.166 9.166 9.323 -0.157 RESID 120 (L): N 124.400 124.400 124.103 0.297 RESID 120 (L): C 176.900 176.900 175.698 1.202 RESID 120 (L): CA 53.690 53.690 53.973 -0.283 RESID 120 (L): CB 41.240 41.240 42.745 -1.505 RESID 120 (L): H 8.961 8.961 8.829 0.132 RESID 121 (Q): N 128.000 128.000 127.105 0.895 RESID 121 (Q): C 176.900 176.900 177.244 -0.344 RESID 121 (Q): CA 56.680 56.680 57.096 -0.416 RESID 121 (Q): CB 27.920 27.920 29.533 -1.613 RESID 121 (Q): H 9.305 9.305 9.004 0.301 RESID 122 (G): N 113.600 113.600 113.751 -0.151 RESID 122 (G): C 175.100 175.100 173.571 1.529 RESID 122 (G): CA 45.240 45.240 45.470 -0.230 RESID 122 (G): H 9.383 9.383 8.733 0.650 RESID 123 (T): N 108.400 108.400 110.240 -1.840 RESID 123 (T): C 176.800 176.800 174.454 2.346 RESID 123 (T): CA 60.260 60.260 59.963 0.297 RESID 123 (T): CB 73.530 73.530 70.693 2.837 RESID 123 (T): H 7.220 7.220 7.746 -0.526 RESID 124 (T): N 113.900 113.900 112.824 1.076 RESID 124 (T): C 178.100 178.100 176.521 1.579 RESID 124 (T): CA 63.990 63.990 64.781 -0.791 RESID 124 (T): CB 67.740 67.740 68.750 -1.010 RESID 124 (T): H 8.934 8.934 8.649 0.285 RESID 125 (Q): N 120.600 120.600 122.339 -1.739 RESID 125 (Q): C 178.300 178.300 178.139 0.161 RESID 125 (Q): CA 61.670 61.670 59.707 1.963 RESID 125 (Q): CB 25.310 25.310 28.032 -2.722 RESID 125 (Q): H 7.521 7.521 8.283 -0.762 RESID 126 (E): N 121.900 121.900 119.769 2.131 RESID 126 (E): C 177.600 177.600 178.908 -1.308 RESID 126 (E): CA 59.630 59.630 59.817 -0.187 RESID 126 (E): CB 28.730 28.730 29.638 -0.908 RESID 126 (E): H 7.717 7.717 7.799 -0.082 RESID 127 (T): N 117.800 117.800 116.275 1.525 RESID 127 (T): C 176.200 176.200 176.386 -0.186 RESID 127 (T): CA 66.340 66.340 66.835 -0.495 RESID 127 (T): CB 67.590 67.590 68.732 -1.142 RESID 127 (T): H 8.175 8.175 7.627 0.548 RESID 128 (F): N 121.900 121.900 121.945 -0.045 RESID 128 (F): C 178.000 178.000 177.562 0.438 RESID 128 (F): CA 61.590 61.590 60.756 0.834 RESID 128 (F): CB 38.810 38.810 38.929 -0.119 RESID 128 (F): H 8.882 8.882 8.652 0.230 RESID 129 (G): N 107.000 107.000 107.096 -0.096 RESID 129 (G): C 176.100 176.100 176.467 -0.367 RESID 129 (G): CA 46.690 46.690 47.226 -0.536 RESID 129 (G): H 8.900 8.900 9.156 -0.256 RESID 130 (N): N 123.000 123.000 118.440 4.560 RESID 130 (N): C 176.200 176.200 175.832 0.368 RESID 130 (N): CA 55.400 55.400 55.334 0.067 RESID 130 (N): CB 37.570 37.570 38.197 -0.627 RESID 130 (N): H 8.915 8.915 8.561 0.354 RESID 131 (E): N 119.000 119.000 116.738 2.262 RESID 131 (E): C 177.900 177.900 177.094 0.806 RESID 131 (E): CA 57.940 57.940 56.709 1.231 RESID 131 (E): CB 29.350 29.350 30.760 -1.410 RESID 131 (E): H 7.907 7.907 7.483 0.424 RESID 132 (H): N 112.600 112.600 118.646 -6.046 RESID 132 (H): C 175.900 175.900 175.557 0.343 RESID 132 (H): CA 56.910 56.910 58.783 -1.873 RESID 132 (H): CB 30.510 30.510 29.822 0.688 RESID 132 (H): H 7.877 7.877 7.868 0.009 RESID 133 (W): N 119.300 119.300 117.417 1.883 RESID 133 (W): C 176.800 176.800 176.168 0.632 RESID 133 (W): CA 55.570 55.570 56.537 -0.967 RESID 133 (W): CB 30.400 30.400 29.753 0.647 RESID 133 (W): H 7.653 7.653 7.508 0.145 RESID 134 (A): N 125.400 125.400 124.645 0.755 RESID 134 (A): C 177.700 177.700 177.212 0.488 RESID 134 (A): CA 55.410 55.410 54.620 0.790 RESID 134 (A): CB 15.990 15.990 16.815 -0.825 RESID 134 (A): H 8.711 8.711 7.540 1.171 RESID 135 (P): C 177.200 177.200 177.227 -0.027 RESID 135 (P): CA 64.510 64.510 64.558 -0.048 RESID 135 (P): CB 30.800 30.800 30.983 -0.183 RESID 136 (K): N 115.800 115.800 116.493 -0.693 RESID 136 (K): C 176.500 176.500 177.554 -1.054 RESID 136 (K): CA 53.530 53.530 55.884 -2.354 RESID 136 (K): CB 31.430 31.430 31.855 -0.425 RESID 136 (K): H 7.665 7.665 8.102 -0.437 RESID 137 (G): N 106.100 106.100 108.360 -2.260 RESID 137 (G): C 174.300 174.300 173.515 0.785 RESID 137 (G): CA 45.740 45.740 45.374 0.366 RESID 137 (G): H 7.864 7.864 7.673 0.191 RESID 138 (I): N 124.400 124.400 119.369 5.031 RESID 138 (I): C 174.400 174.400 174.782 -0.382 RESID 138 (I): CA 60.460 60.460 60.101 0.359 RESID 138 (I): CB 38.080 38.080 39.842 -1.762 RESID 138 (I): H 6.889 6.889 7.476 -0.587 RESID 139 (E): N 128.400 128.400 127.237 1.163 RESID 139 (E): C 173.900 173.900 175.095 -1.195 RESID 139 (E): CA 56.050 56.050 55.594 0.456 RESID 139 (E): CB 29.490 29.490 31.249 -1.759 RESID 139 (E): H 8.230 8.230 8.328 -0.098 RESID 140 (I): N 129.500 129.500 121.533 7.967 RESID 140 (I): C 176.100 176.100 174.731 1.369 RESID 140 (I): CA 57.100 57.100 59.017 -1.917 RESID 140 (I): CB 34.440 34.440 40.665 -6.225 RESID 140 (I): H 8.642 8.642 8.350 0.292 RESID 141 (V): N 133.000 133.000 124.957 8.043 RESID 141 (V): C 174.400 174.400 174.445 -0.045 RESID 141 (V): CA 61.060 61.060 61.142 -0.082 RESID 141 (V): CB 32.410 32.410 36.307 -3.897 RESID 141 (V): H 9.387 9.387 9.110 0.277 RESID 142 (S): N 122.900 122.900 120.244 2.656 RESID 142 (S): C 175.000 175.000 173.600 1.400 RESID 142 (S): CA 57.710 57.710 57.251 0.459 RESID 142 (S): CB 63.710 63.710 63.865 -0.155 RESID 142 (S): H 8.490 8.490 8.369 0.121 RESID 143 (Y): N 123.400 123.400 126.048 -2.648 RESID 143 (Y): C 175.900 175.900 176.414 -0.514 RESID 143 (Y): CA 57.300 57.300 57.681 -0.381 RESID 143 (Y): CB 42.300 42.300 41.407 0.893 RESID 143 (Y): H 8.979 8.979 9.335 -0.356 RESID 144 (Q): N 119.500 119.500 119.724 -0.224 RESID 144 (Q): C 176.000 176.000 174.953 1.047 RESID 144 (Q): CA 56.490 56.490 55.879 0.612 RESID 144 (Q): CB 28.470 28.470 29.934 -1.464 RESID 144 (Q): H 8.974 8.974 8.731 0.243 RESID 145 (G): N 106.800 106.800 107.352 -0.552 RESID 145 (G): C 173.500 173.500 174.164 -0.664 RESID 145 (G): CA 44.300 44.300 44.309 -0.009 RESID 145 (G): H 7.531 7.531 7.864 -0.333 RESID 146 (Q): N 124.300 124.300 122.899 1.401 RESID 146 (Q): C 177.200 177.200 177.353 -0.153 RESID 146 (Q): CA 57.800 57.800 58.814 -1.014 RESID 146 (Q): CB 28.190 28.190 28.642 -0.452 RESID 146 (Q): H 8.949 8.949 8.863 0.086 RESID 147 (D): N 117.900 117.900 118.406 -0.506 RESID 147 (D): C 178.900 178.900 178.472 0.428 RESID 147 (D): CA 56.650 56.650 56.837 -0.187 RESID 147 (D): CB 38.890 38.890 39.747 -0.857 RESID 147 (D): H 8.746 8.746 8.785 -0.039 RESID 148 (N): N 117.500 117.500 117.879 -0.379 RESID 148 (N): C 176.700 176.700 177.252 -0.552 RESID 148 (N): CA 55.160 55.160 55.708 -0.548 RESID 148 (N): CB 38.700 38.700 38.118 0.582 RESID 148 (N): H 7.496 7.496 8.542 -1.046 RESID 149 (I): N 120.000 120.000 119.755 0.245 RESID 149 (I): C 177.400 177.400 177.565 -0.165 RESID 149 (I): CA 64.450 64.450 65.012 -0.562 RESID 149 (I): CB 35.900 35.900 37.650 -1.750 RESID 149 (I): H 6.793 6.793 7.186 -0.393 RESID 150 (Y): N 117.400 117.400 118.073 -0.673 RESID 150 (Y): C 178.800 178.800 178.164 0.636 RESID 150 (Y): CA 59.730 59.730 61.648 -1.918 RESID 150 (Y): CB 35.970 35.970 37.701 -1.731 RESID 150 (Y): H 6.897 6.897 7.410 -0.513 RESID 151 (S): N 117.000 117.000 115.009 1.991 RESID 151 (S): C 177.000 177.000 177.061 -0.061 RESID 151 (S): CA 61.300 61.300 61.883 -0.583 RESID 151 (S): CB 62.100 62.100 62.410 -0.310 RESID 151 (S): H 8.186 8.186 8.254 -0.068 RESID 152 (D): N 122.300 122.300 123.434 -1.134 RESID 152 (D): C 179.000 179.000 178.369 0.631 RESID 152 (D): CA 56.580 56.580 56.875 -0.295 RESID 152 (D): CB 38.240 38.240 40.353 -2.113 RESID 152 (D): H 7.541 7.541 7.727 -0.186 RESID 153 (L): N 124.100 124.100 121.179 2.921 RESID 153 (L): C 180.300 180.300 178.531 1.769 RESID 153 (L): CA 58.160 58.160 57.538 0.622 RESID 153 (L): CB 41.630 41.630 41.825 -0.195 RESID 153 (L): H 8.372 8.372 7.882 0.490 RESID 154 (T): N 111.900 111.900 113.520 -1.620 RESID 154 (T): C 176.700 176.700 175.368 1.332 RESID 154 (T): CA 63.920 63.920 65.428 -1.508 RESID 154 (T): CB 68.700 68.700 69.015 -0.315 RESID 154 (T): H 8.389 8.389 8.300 0.089 RESID 155 (A): N 121.800 121.800 120.732 1.068 RESID 155 (A): C 178.200 178.200 177.991 0.209 RESID 155 (A): CA 51.640 51.640 52.563 -0.923 RESID 155 (A): CB 18.990 18.990 19.259 -0.268 RESID 155 (A): H 7.444 7.444 7.059 0.385 RESID 156 (G): N 107.800 107.800 107.087 0.713 RESID 156 (G): C 175.100 175.100 175.365 -0.265 RESID 156 (G): CA 45.420 45.420 45.176 0.244 RESID 156 (G): H 7.921 7.921 8.025 -0.104 RESID 157 (R): N 119.000 119.000 119.228 -0.228 RESID 157 (R): C 176.600 176.600 175.697 0.903 RESID 157 (R): CA 57.260 57.260 57.605 -0.345 RESID 157 (R): CB 30.400 30.400 30.769 -0.369 RESID 157 (R): H 8.443 8.443 8.115 0.328 RESID 158 (I): N 108.900 108.900 112.773 -3.873 RESID 158 (I): C 173.700 173.700 174.290 -0.590 RESID 158 (I): CA 59.900 59.900 59.208 0.692 RESID 158 (I): CB 40.070 40.070 41.074 -1.004 RESID 158 (I): H 7.109 7.109 7.115 -0.006 RESID 159 (D): N 119.100 119.100 123.829 -4.729 RESID 159 (D): C 174.700 174.700 175.663 -0.963 RESID 159 (D): CA 55.900 55.900 56.343 -0.443 RESID 159 (D): CB 43.630 43.630 41.736 1.894 RESID 159 (D): H 8.737 8.737 8.524 0.213 RESID 160 (A): N 116.400 116.400 116.439 -0.039 RESID 160 (A): C 174.900 174.900 174.326 0.574 RESID 160 (A): CA 50.190 50.190 51.470 -1.280 RESID 160 (A): CB 23.030 23.030 21.405 1.625 RESID 160 (A): H 7.702 7.702 7.168 0.534 RESID 161 (A): N 123.400 123.400 121.830 1.570 RESID 161 (A): C 175.500 175.500 175.680 -0.180 RESID 161 (A): CA 49.730 49.730 50.216 -0.486 RESID 161 (A): CB 21.110 21.110 21.630 -0.520 RESID 161 (A): H 8.915 8.915 8.003 0.912 RESID 162 (F): N 125.100 125.100 122.436 2.664 RESID 162 (F): C 172.900 172.900 174.978 -2.078 RESID 162 (F): CA 54.500 54.500 58.205 -3.705 RESID 162 (F): CB 39.400 39.400 38.809 0.592 RESID 162 (F): H 8.971 8.971 8.404 0.567 RESID 163 (Q): N 124.600 124.600 123.331 1.269 RESID 163 (Q): C 173.400 173.400 173.685 -0.285 RESID 163 (Q): CA 53.550 53.550 53.637 -0.087 RESID 163 (Q): CB 34.390 34.390 33.147 1.243 RESID 163 (Q): H 7.904 7.904 8.310 -0.406 RESID 164 (D): N 122.300 122.300 121.329 0.971 RESID 164 (D): C 175.800 175.800 177.217 -1.417 RESID 164 (D): CA 55.540 55.540 54.437 1.103 RESID 164 (D): CB 42.370 42.370 42.024 0.346 RESID 164 (D): H 8.304 8.304 8.423 -0.119 RESID 165 (E): N 128.600 128.600 122.895 5.705 RESID 165 (E): C 177.700 177.700 178.114 -0.414 RESID 165 (E): CA 60.230 60.230 60.113 0.117 RESID 165 (E): CB 30.020 30.020 29.817 0.203 RESID 165 (E): H 8.605 8.605 8.741 -0.136 RESID 166 (V): N 120.100 120.100 118.813 1.287 RESID 166 (V): C 178.300 178.300 177.241 1.059 RESID 166 (V): CA 66.800 66.800 66.686 0.114 RESID 166 (V): CB 30.070 30.070 30.231 -0.161 RESID 166 (V): H 8.748 8.748 8.174 0.574 RESID 167 (A): N 123.200 123.200 120.187 3.013 RESID 167 (A): C 182.500 182.500 179.094 3.406 RESID 167 (A): CA 54.980 54.980 54.665 0.315 RESID 167 (A): CB 17.910 17.910 17.994 -0.084 RESID 167 (A): H 8.655 8.655 7.877 0.778 RESID 168 (A): N 121.300 121.300 122.074 -0.774 RESID 168 (A): C 179.800 179.800 179.687 0.113 RESID 168 (A): CA 54.180 54.180 54.571 -0.390 RESID 168 (A): CB 18.750 18.750 18.395 0.355 RESID 168 (A): H 8.349 8.349 7.835 0.514 RESID 169 (S): N 113.400 113.400 114.298 -0.898 RESID 169 (S): C 175.700 175.700 176.293 -0.593 RESID 169 (S): CA 61.050 61.050 62.788 -1.738 RESID 169 (S): CB 63.050 63.050 62.490 0.560 RESID 169 (S): H 8.058 8.058 8.076 -0.018 RESID 170 (E): N 115.600 115.600 120.456 -4.856 RESID 170 (E): C 178.800 178.800 177.432 1.368 RESID 170 (E): CA 57.610 57.610 58.270 -0.660 RESID 170 (E): CB 29.790 29.790 29.114 0.676 RESID 170 (E): H 8.824 8.824 7.897 0.927 RESID 171 (G): N 103.400 103.400 104.594 -1.194 RESID 171 (G): C 173.700 173.700 174.997 -1.297 RESID 171 (G): CA 44.970 44.970 45.234 -0.264 RESID 171 (G): H 8.154 8.154 7.356 0.798 RESID 172 (F): N 120.100 120.100 122.642 -2.542 RESID 172 (F): C 175.200 175.200 177.179 -1.979 RESID 172 (F): CA 60.690 60.690 61.198 -0.508 RESID 172 (F): CB 40.740 40.740 39.147 1.593 RESID 172 (F): H 7.297 7.297 8.332 -1.035 RESID 173 (L): N 117.800 117.800 117.208 0.592 RESID 173 (L): C 179.000 179.000 178.495 0.505 RESID 173 (L): CA 57.670 57.670 56.791 0.879 RESID 173 (L): CB 40.020 40.020 41.916 -1.896 RESID 173 (L): H 8.470 8.470 7.494 0.976 RESID 174 (K): N 114.600 114.600 117.291 -2.691 RESID 174 (K): C 176.900 176.900 176.199 0.701 RESID 174 (K): CA 56.450 56.450 57.319 -0.869 RESID 174 (K): CB 31.770 31.770 32.648 -0.878 RESID 174 (K): H 8.018 8.018 7.670 0.348 RESID 175 (Q): N 118.800 118.800 117.012 1.788 RESID 175 (Q): C 176.000 176.000 173.932 2.068 RESID 175 (Q): CA 52.510 52.510 52.244 0.266 RESID 175 (Q): CB 26.740 26.740 29.880 -3.140 RESID 175 (Q): H 7.151 7.151 7.261 -0.110 RESID 176 (P): C 179.300 179.300 177.330 1.970 RESID 176 (P): CA 66.100 66.100 65.443 0.657 RESID 176 (P): CB 30.720 30.720 31.528 -0.808 RESID 177 (V): N 112.300 112.300 117.299 -4.999 RESID 177 (V): C 175.900 175.900 177.906 -2.006 RESID 177 (V): CA 62.860 62.860 65.981 -3.121 RESID 177 (V): CB 30.660 30.660 30.572 0.088 RESID 177 (V): H 7.480 7.480 7.689 -0.209 RESID 178 (G): N 109.700 109.700 105.708 3.992 RESID 178 (G): C 175.000 175.000 174.787 0.213 RESID 178 (G): CA 44.080 44.080 46.175 -2.095 RESID 178 (G): H 7.173 7.173 7.914 -0.741 RESID 179 (K): N 120.900 120.900 119.167 1.733 RESID 179 (K): C 177.100 177.100 177.549 -0.449 RESID 179 (K): CA 58.360 58.360 58.455 -0.095 RESID 179 (K): CB 31.260 31.260 32.310 -1.050 RESID 179 (K): H 6.972 6.972 7.381 -0.409 RESID 180 (D): N 117.200 117.200 117.065 0.135 RESID 180 (D): C 173.900 173.900 175.837 -1.937 RESID 180 (D): CA 53.920 53.920 55.849 -1.929 RESID 180 (D): CB 39.690 39.690 41.294 -1.604 RESID 180 (D): H 8.036 8.036 7.445 0.591 RESID 181 (Y): N 120.500 120.500 115.034 5.466 RESID 181 (Y): C 172.300 172.300 173.486 -1.186 RESID 181 (Y): CA 57.890 57.890 57.736 0.154 RESID 181 (Y): CB 41.860 41.860 42.313 -0.453 RESID 181 (Y): H 7.768 7.768 7.433 0.335 RESID 182 (K): N 116.900 116.900 118.948 -2.048 RESID 182 (K): C 174.900 174.900 174.303 0.597 RESID 182 (K): CA 54.330 54.330 56.419 -2.089 RESID 182 (K): CB 35.610 35.610 33.323 2.287 RESID 182 (K): H 9.497 9.497 8.852 0.645 RESID 183 (F): N 117.900 117.900 122.234 -4.334 RESID 183 (F): C 177.800 177.800 175.048 2.752 RESID 183 (F): CA 56.780 56.780 58.100 -1.321 RESID 183 (F): CB 38.320 38.320 42.848 -4.528 RESID 183 (F): H 8.470 8.470 7.908 0.562 RESID 184 (G): N 113.700 113.700 109.405 4.295 RESID 184 (G): C 173.300 173.300 174.709 -1.409 RESID 184 (G): CA 46.900 46.900 45.024 1.876 RESID 184 (G): H 9.107 9.107 8.865 0.242 RESID 185 (G): N 111.000 111.000 110.179 0.821 RESID 185 (G): C 171.100 171.100 172.888 -1.788 RESID 185 (G): CA 44.530 44.530 45.565 -1.034 RESID 185 (G): H 7.702 7.702 8.487 -0.785 RESID 186 (P): C 175.500 175.500 176.208 -0.708 RESID 186 (P): CA 61.920 61.920 64.410 -2.490 RESID 186 (P): CB 32.640 32.640 31.847 0.793 RESID 187 (S): N 113.500 113.500 119.565 -6.065 RESID 187 (S): C 173.500 173.500 173.770 -0.270 RESID 187 (S): CA 57.930 57.930 57.387 0.543 RESID 187 (S): CB 63.260 63.260 65.827 -2.567 RESID 187 (S): H 8.452 8.452 8.378 0.074 RESID 188 (V): N 123.300 123.300 122.325 0.975 RESID 188 (V): C 173.900 173.900 173.740 0.160 RESID 188 (V): CA 61.800 61.800 61.771 0.029 RESID 188 (V): CB 32.680 32.680 34.219 -1.539 RESID 188 (V): H 9.080 9.080 7.956 1.124 RESID 189 (K): N 125.200 125.200 122.003 3.197 RESID 189 (K): C 176.700 176.700 174.083 2.617 RESID 189 (K): CA 54.680 54.680 56.255 -1.575 RESID 189 (K): CB 33.780 33.780 34.419 -0.638 RESID 189 (K): H 8.123 8.123 8.168 -0.045 RESID 190 (D): N 120.300 120.300 122.193 -1.893 RESID 190 (D): C 175.300 175.300 176.903 -1.603 RESID 190 (D): CA 55.610 55.610 53.505 2.104 RESID 190 (D): CB 42.620 42.620 40.534 2.086 RESID 190 (D): H 8.823 8.823 8.282 0.541 RESID 191 (E): N 129.100 129.100 126.535 2.565 RESID 191 (E): C 177.300 177.300 177.487 -0.187 RESID 191 (E): CA 59.310 59.310 58.399 0.911 RESID 191 (E): CB 28.420 28.420 29.474 -1.054 RESID 191 (E): H 9.239 9.239 8.863 0.376 RESID 192 (K): N 118.000 118.000 119.171 -1.171 RESID 192 (K): C 178.200 178.200 177.833 0.367 RESID 192 (K): CA 58.140 58.140 58.879 -0.739 RESID 192 (K): CB 31.690 31.690 32.180 -0.490 RESID 192 (K): H 7.918 7.918 8.594 -0.676 RESID 193 (L): N 118.200 118.200 118.396 -0.196 RESID 193 (L): C 177.700 177.700 178.377 -0.677 RESID 193 (L): CA 55.790 55.790 56.861 -1.071 RESID 193 (L): CB 42.330 42.330 42.014 0.316 RESID 193 (L): H 8.362 8.362 7.190 1.172 RESID 194 (F): N 116.800 116.800 115.274 1.526 RESID 194 (F): C 178.200 178.200 175.901 2.299 RESID 194 (F): CA 54.620 54.620 57.250 -2.630 RESID 194 (F): CB 37.390 37.390 39.402 -2.012 RESID 194 (F): H 8.036 8.036 7.389 0.647 RESID 195 (G): N 106.900 106.900 108.885 -1.985 RESID 195 (G): C 174.200 174.200 174.581 -0.381 RESID 195 (G): CA 44.120 44.120 44.959 -0.839 RESID 195 (G): H 7.510 7.510 7.658 -0.148 RESID 196 (V): N 112.400 112.400 124.036 -11.636 RESID 196 (V): C 175.300 175.300 175.821 -0.521 RESID 196 (V): CA 60.720 60.720 63.980 -3.260 RESID 196 (V): CB 30.630 30.630 32.140 -1.510 RESID 196 (V): H 8.064 8.064 8.332 -0.268 RESID 197 (G): N 108.100 108.100 105.224 2.876 RESID 197 (G): C 172.300 172.300 172.009 0.291 RESID 197 (G): CA 43.210 43.210 45.291 -2.081 RESID 197 (G): H 7.788 7.788 7.256 0.532 RESID 198 (T): N 109.200 109.200 113.376 -4.176 RESID 198 (T): C 172.800 172.800 173.133 -0.333 RESID 198 (T): CA 59.090 59.090 59.318 -0.228 RESID 198 (T): CB 71.080 71.080 71.292 -0.212 RESID 198 (T): H 7.796 7.796 7.973 -0.177 RESID 199 (G): N 103.900 103.900 108.170 -4.270 RESID 199 (G): C 171.800 171.800 172.244 -0.444 RESID 199 (G): CA 43.840 43.840 45.632 -1.792 RESID 199 (G): H 7.928 7.928 7.853 0.075 RESID 200 (M): N 121.400 121.400 119.478 1.922 RESID 200 (M): C 176.200 176.200 176.078 0.122 RESID 200 (M): CA 55.260 55.260 54.790 0.470 RESID 200 (M): CB 33.390 33.390 35.579 -2.189 RESID 200 (M): H 7.971 7.971 8.183 -0.212 RESID 201 (G): N 112.200 112.200 110.514 1.686 RESID 201 (G): C 172.000 172.000 172.733 -0.733 RESID 201 (G): CA 44.540 44.540 44.333 0.207 RESID 201 (G): H 8.818 8.818 8.484 0.334 RESID 202 (L): N 124.700 124.700 125.033 -0.333 RESID 202 (L): C 176.000 176.000 175.982 0.018 RESID 202 (L): CA 53.740 53.740 52.863 0.877 RESID 202 (L): CB 46.010 46.010 45.867 0.143 RESID 202 (L): H 8.767 8.767 8.661 0.106 RESID 203 (R): N 121.600 121.600 120.159 1.441 RESID 203 (R): C 180.400 180.400 177.922 2.478 RESID 203 (R): CA 57.130 57.130 55.461 1.669 RESID 203 (R): CB 29.650 29.650 31.295 -1.645 RESID 203 (R): H 10.270 10.270 8.118 2.152 RESID 204 (K): N 123.200 123.200 124.424 -1.224 RESID 204 (K): C 178.200 178.200 177.641 0.559 RESID 204 (K): CA 59.570 59.570 59.663 -0.093 RESID 204 (K): CB 31.840 31.840 32.146 -0.306 RESID 204 (K): H 9.231 9.231 8.667 0.564 RESID 205 (E): N 113.800 113.800 117.054 -3.254 RESID 205 (E): C 177.700 177.700 177.913 -0.213 RESID 205 (E): CA 57.230 57.230 58.208 -0.978 RESID 205 (E): CB 27.770 27.770 28.897 -1.127 RESID 205 (E): H 9.026 9.026 8.222 0.804 RESID 206 (D): N 126.000 126.000 120.900 5.100 RESID 206 (D): C 177.300 177.300 176.481 0.819 RESID 206 (D): CA 53.710 53.710 53.640 0.070 RESID 206 (D): CB 37.530 37.530 38.685 -1.155 RESID 206 (D): H 7.253 7.253 8.056 -0.803 RESID 207 (N): N 120.100 120.100 120.452 -0.352 RESID 207 (N): C 176.900 176.900 177.004 -0.104 RESID 207 (N): CA 56.950 56.950 56.459 0.491 RESID 207 (N): CB 38.820 38.820 38.890 -0.070 RESID 207 (N): H 7.839 7.839 8.702 -0.863 RESID 208 (E): N 120.500 120.500 118.991 1.509 RESID 208 (E): C 179.900 179.900 178.479 1.421 RESID 208 (E): CA 59.870 59.870 58.991 0.879 RESID 208 (E): CB 27.630 27.630 29.446 -1.816 RESID 208 (E): H 8.776 8.776 8.328 0.448 RESID 209 (L): N 122.900 122.900 120.420 2.480 RESID 209 (L): C 177.100 177.100 178.210 -1.110 RESID 209 (L): CA 57.400 57.400 57.536 -0.136 RESID 209 (L): CB 40.660 40.660 41.844 -1.184 RESID 209 (L): H 8.366 8.366 7.857 0.509 RESID 210 (R): N 119.100 119.100 118.810 0.290 RESID 210 (R): C 177.400 177.400 178.220 -0.820 RESID 210 (R): CA 59.970 59.970 59.749 0.221 RESID 210 (R): CB 30.110 30.110 30.026 0.085 RESID 210 (R): H 7.582 7.582 8.341 -0.759 RESID 211 (E): N 116.200 116.200 119.243 -3.043 RESID 211 (E): C 179.800 179.800 178.527 1.273 RESID 211 (E): CA 59.150 59.150 59.263 -0.113 RESID 211 (E): CB 28.600 28.600 29.596 -0.996 RESID 211 (E): H 8.407 8.407 7.884 0.523 RESID 212 (A): N 123.500 123.500 122.685 0.815 RESID 212 (A): C 181.300 181.300 179.657 1.643 RESID 212 (A): CA 54.810 54.810 54.724 0.086 RESID 212 (A): CB 17.170 17.170 18.136 -0.966 RESID 212 (A): H 8.128 8.128 7.626 0.502 RESID 213 (L): N 121.200 121.200 119.550 1.650 RESID 213 (L): C 178.400 178.400 179.617 -1.217 RESID 213 (L): CA 57.710 57.710 58.185 -0.475 RESID 213 (L): CB 41.450 41.450 41.208 0.242 RESID 213 (L): H 8.364 8.364 8.082 0.282 RESID 214 (N): N 119.200 119.200 116.458 2.742 RESID 214 (N): C 179.700 179.700 177.848 1.852 RESID 214 (N): CA 55.260 55.260 55.864 -0.604 RESID 214 (N): CB 37.120 37.120 37.929 -0.809 RESID 214 (N): H 8.435 8.435 8.322 0.113 RESID 215 (K): N 123.800 123.800 121.347 2.453 RESID 215 (K): C 178.400 178.400 178.517 -0.117 RESID 215 (K): CA 59.090 59.090 59.411 -0.321 RESID 215 (K): CB 31.740 31.740 32.481 -0.741 RESID 215 (K): H 8.080 8.080 8.464 -0.384 RESID 216 (A): N 122.200 122.200 121.731 0.469 RESID 216 (A): C 179.500 179.500 179.506 -0.006 RESID 216 (A): CA 54.140 54.140 54.885 -0.745 RESID 216 (A): CB 18.700 18.700 18.259 0.441 RESID 216 (A): H 7.935 7.935 8.184 -0.249 RESID 217 (F): N 119.500 119.500 120.134 -0.634 RESID 217 (F): C 177.200 177.200 176.967 0.233 RESID 217 (F): CA 61.390 61.390 60.274 1.116 RESID 217 (F): CB 38.000 38.000 39.065 -1.065 RESID 217 (F): H 8.916 8.916 8.296 0.620 RESID 218 (A): N 121.300 121.300 121.227 0.073 RESID 218 (A): C 182.100 182.100 179.676 2.424 RESID 218 (A): CA 54.810 54.810 55.212 -0.402 RESID 218 (A): CB 16.650 16.650 17.986 -1.336 RESID 218 (A): H 7.956 7.956 8.166 -0.210 RESID 219 (E): N 120.000 120.000 119.023 0.977 RESID 219 (E): C 178.600 178.600 179.004 -0.404 RESID 219 (E): CA 59.040 59.040 59.297 -0.257 RESID 219 (E): CB 28.320 28.320 29.483 -1.163 RESID 219 (E): H 7.952 7.952 7.842 0.110 RESID 220 (M): N 120.900 120.900 118.187 2.713 RESID 220 (M): C 179.000 179.000 178.540 0.460 RESID 220 (M): CA 57.430 57.430 59.487 -2.057 RESID 220 (M): CB 32.620 32.620 32.461 0.160 RESID 220 (M): H 8.190 8.190 8.084 0.106 RESID 221 (R): N 119.200 119.200 118.404 0.796 RESID 221 (R): C 179.300 179.300 178.873 0.427 RESID 221 (R): CA 58.710 58.710 58.935 -0.226 RESID 221 (R): CB 27.480 27.480 29.857 -2.377 RESID 221 (R): H 7.762 7.762 7.535 0.227 RESID 222 (A): N 122.500 122.500 122.092 0.408 RESID 222 (A): C 179.300 179.300 178.937 0.363 RESID 222 (A): CA 54.180 54.180 54.628 -0.448 RESID 222 (A): CB 18.030 18.030 18.563 -0.533 RESID 222 (A): H 7.838 7.838 7.740 0.098 RESID 223 (D): N 115.100 115.100 114.687 0.413 RESID 223 (D): C 177.900 177.900 177.252 0.648 RESID 223 (D): CA 53.020 53.020 53.127 -0.107 RESID 223 (D): CB 39.570 39.570 40.460 -0.890 RESID 223 (D): H 8.091 8.091 7.983 0.108 RESID 224 (G): N 106.700 106.700 108.803 -2.103 RESID 224 (G): C 176.000 176.000 176.024 -0.024 RESID 224 (G): CA 45.070 45.070 46.297 -1.227 RESID 224 (G): H 7.199 7.199 7.409 -0.210 RESID 225 (T): N 122.400 122.400 117.151 5.249 RESID 225 (T): C 175.700 175.700 175.331 0.369 RESID 225 (T): CA 67.610 67.610 67.892 -0.282 RESID 225 (T): CB 66.840 66.840 68.760 -1.920 RESID 225 (T): H 9.095 9.095 8.783 0.312 RESID 226 (Y): N 121.500 121.500 121.699 -0.199 RESID 226 (Y): C 176.000 176.000 176.930 -0.930 RESID 226 (Y): CA 62.530 62.530 62.379 0.151 RESID 226 (Y): CB 38.410 38.410 38.329 0.081 RESID 226 (Y): H 8.040 8.040 7.650 0.390 RESID 227 (E): N 118.200 118.200 118.718 -0.518 RESID 227 (E): C 178.200 178.200 178.718 -0.518 RESID 227 (E): CA 58.940 58.940 59.501 -0.561 RESID 227 (E): CB 28.810 28.810 29.147 -0.337 RESID 227 (E): H 8.153 8.153 8.601 -0.448 RESID 228 (K): N 119.100 119.100 120.374 -1.274 RESID 228 (K): C 179.500 179.500 179.102 0.398 RESID 228 (K): CA 59.260 59.260 59.495 -0.235 RESID 228 (K): CB 31.520 31.520 32.439 -0.919 RESID 228 (K): H 7.558 7.558 8.393 -0.835 RESID 229 (L): N 119.100 119.100 119.403 -0.303 RESID 229 (L): C 179.300 179.300 178.845 0.455 RESID 229 (L): CA 56.970 56.970 57.728 -0.758 RESID 229 (L): CB 41.520 41.520 41.896 -0.376 RESID 229 (L): H 8.055 8.055 8.127 -0.072 RESID 230 (A): N 121.200 121.200 122.170 -0.970 RESID 230 (A): C 180.500 180.500 179.310 1.190 RESID 230 (A): CA 54.890 54.890 55.559 -0.669 RESID 230 (A): CB 17.570 17.570 17.745 -0.175 RESID 230 (A): H 8.901 8.901 8.410 0.491 RESID 231 (K): N 117.200 117.200 118.347 -1.147 RESID 231 (K): C 177.700 177.700 178.471 -0.771 RESID 231 (K): CA 57.370 57.370 58.919 -1.549 RESID 231 (K): CB 31.330 31.330 32.338 -1.008 RESID 231 (K): H 8.062 8.062 8.088 -0.026 RESID 232 (K): N 117.600 117.600 117.264 0.336 RESID 232 (K): C 176.800 176.800 179.187 -2.387 RESID 232 (K): CA 57.890 57.890 58.724 -0.834 RESID 232 (K): CB 31.150 31.150 32.658 -1.508 RESID 232 (K): H 7.053 7.053 7.433 -0.380 RESID 233 (Y): N 114.000 114.000 117.004 -3.004 RESID 233 (Y): C 175.100 175.100 175.856 -0.756 RESID 233 (Y): CA 58.110 58.110 61.278 -3.168 RESID 233 (Y): CB 39.360 39.360 39.021 0.339 RESID 233 (Y): H 7.013 7.013 8.044 -1.031 RESID 234 (F): N 116.400 116.400 113.778 2.622 RESID 234 (F): C 175.800 175.800 173.448 2.352 RESID 234 (F): CA 54.920 54.920 56.769 -1.849 RESID 234 (F): CB 41.260 41.260 42.972 -1.712 RESID 234 (F): H 8.038 8.038 8.167 -0.129 RESID 235 (D): N 123.000 123.000 120.723 2.277 RESID 235 (D): C 174.500 174.500 174.792 -0.292 RESID 235 (D): CA 52.680 52.680 53.242 -0.562 RESID 235 (D): CB 39.860 39.860 39.106 0.754 RESID 235 (D): H 8.879 8.879 8.594 0.285 RESID 236 (F): N 115.500 115.500 120.634 -5.134 RESID 236 (F): C 173.600 173.600 173.664 -0.064 RESID 236 (F): CA 53.950 53.950 56.632 -2.682 RESID 236 (F): CB 39.860 39.860 39.763 0.097 RESID 236 (F): H 6.793 6.793 7.515 -0.722 RESID 237 (D): N 119.700 119.700 121.902 -2.202 RESID 237 (D): C 175.800 175.800 177.058 -1.258 RESID 237 (D): CA 52.980 52.980 52.556 0.424 RESID 237 (D): CB 39.210 39.210 41.761 -2.551 RESID 237 (D): H 8.831 8.831 8.593 0.238 RESID 238 (V): N 129.900 129.900 122.455 7.445 RESID 238 (V): C 175.200 175.200 176.680 -1.480 RESID 238 (V): CA 61.840 61.840 65.050 -3.210 RESID 238 (V): CB 32.500 32.500 31.863 0.637 RESID 238 (V): H 7.376 7.376 8.289 -0.913 RESID 239 (Y): N 123.500 123.500 119.091 4.409 RESID 239 (Y): C 176.500 176.500 178.525 -2.025 RESID 239 (Y): CA 61.920 61.920 61.061 0.859 RESID 239 (Y): CB 38.010 38.010 37.794 0.216 RESID 239 (Y): H 8.314 8.314 7.865 0.449 RESID 240 (G): N 104.100 104.100 104.386 -0.286 RESID 240 (G): C 174.600 174.600 174.866 -0.266 RESID 240 (G): CA 45.930 45.930 45.299 0.631 RESID 240 (G): H 7.428 7.428 8.387 -0.959 N HA C CA CB H RESID 6 (P): ----- ----- -1.390 -0.814 -0.474 ----- RESID 7 (Q): -0.867 ----- -0.005 -0.990 -0.559 -0.258 RESID 8 (N): 1.624 ----- -0.529 -0.555 -0.928 -0.336 RESID 9 (I): -1.996 ----- -0.237 -0.609 -0.380 -0.721 RESID 10 (R): -0.641 ----- 0.299 -1.510 -0.666 0.212 RESID 11 (I): 2.831 ----- 0.540 0.156 -4.550 0.174 RESID 12 (G): 1.137 ----- -1.263 0.257 ----- 0.887 RESID 13 (T): -1.082 ----- 8.537 -0.564 -1.859 0.536 RESID 14 (D): -0.685 ----- 2.904 -0.539 -1.885 -0.474 RESID 15 (P): ----- ----- -1.005 -1.348 -4.503 ----- RESID 16 (T): 4.658 ----- -0.042 -2.559 -1.276 0.549 RESID 17 (Y): 3.897 ----- -0.376 -1.971 0.159 0.889 RESID 18 (A): 2.437 ----- -0.464 -4.583 -0.215 0.027 RESID 19 (P): ----- ----- -4.325 -2.396 0.216 ----- RESID 20 (F): 7.470 ----- 1.473 2.972 -2.950 -0.143 RESID 21 (E): -2.516 ----- -0.875 -0.908 -5.425 -0.927 RESID 22 (S): 4.269 ----- -0.781 -1.294 -1.088 0.466 RESID 23 (K): -2.050 ----- 2.548 -1.594 -1.746 -0.007 RESID 24 (N): 1.220 ----- 0.893 -1.458 -1.885 -0.136 RESID 25 (S): ----- ----- 0.016 0.034 -0.083 ----- RESID 26 (Q): -0.176 ----- -0.597 -0.480 -0.444 -0.811 RESID 27 (G): 1.173 ----- -0.413 -0.035 ----- 0.312 RESID 28 (E): 0.562 ----- 0.173 -1.418 -0.892 -0.228 RESID 29 (L): 3.125 ----- 1.210 0.519 -2.266 0.033 RESID 30 (V): -3.090 ----- 1.645 -1.617 -0.047 1.254 RESID 31 (G): -0.056 ----- 0.947 -1.271 ----- 1.203 RESID 32 (F): -2.336 ----- 1.742 -0.557 -0.459 0.004 RESID 33 (D): -2.652 ----- 1.068 -0.557 -1.767 1.586 RESID 34 (I): -0.791 ----- 0.297 -3.774 -4.149 -1.216 RESID 35 (D): 1.299 ----- 1.869 -0.416 -0.011 0.604 RESID 36 (L): -0.413 ----- 0.518 -0.046 0.659 1.275 RESID 37 (A): -1.645 ----- -0.962 -0.128 -1.129 0.718 RESID 38 (K): -2.916 ----- 0.941 0.510 -0.508 0.597 RESID 39 (E): 2.146 ----- -1.077 -0.891 -1.520 -0.088 RESID 40 (L): 1.066 ----- -0.132 0.192 -1.500 0.665 RESID 41 (C): -2.704 ----- -1.687 -0.343 21.419 -0.100 RESID 42 (K): -0.324 ----- 1.669 -0.640 -0.924 -0.569 RESID 43 (R): 1.488 ----- 0.028 0.311 -0.235 0.514 RESID 44 (I): -5.780 ----- -0.856 -2.197 -1.562 -0.673 RESID 45 (N): 3.140 ----- -0.335 -0.955 0.703 -0.336 RESID 46 (T): 7.164 ----- 0.293 -0.299 -1.318 -0.012 RESID 47 (Q): 3.548 ----- 0.820 -0.533 -1.880 -0.256 RESID 48 (C): -0.406 ----- -0.584 -4.709 17.873 0.216 RESID 49 (T): -1.952 ----- 0.185 -1.040 -0.021 -0.506 RESID 50 (F): -2.076 ----- -0.110 0.143 0.347 0.390 RESID 51 (V): 2.908 ----- 0.043 -0.003 -1.764 0.290 RESID 52 (E): -1.988 ----- 1.782 -3.017 -1.002 -0.144 RESID 53 (N): 7.053 ----- -2.008 0.230 5.567 0.794 RESID 54 (P): ----- ----- -0.032 -0.721 -1.786 ----- RESID 55 (L): -0.233 ----- 0.894 -1.073 0.007 0.402 RESID 56 (D): -3.597 ----- -0.827 -0.764 -0.543 0.129 RESID 57 (A): 0.465 ----- 1.049 -2.200 -0.470 -0.270 RESID 58 (L): 1.125 ----- -0.967 0.855 -1.774 -0.258 RESID 59 (I): 0.132 ----- 1.277 1.627 -0.728 1.374 RESID 60 (P): ----- ----- 0.884 -0.640 -1.270 ----- RESID 61 (S): -0.129 ----- -1.188 0.304 ----- -0.397 RESID 62 (L): 3.117 ----- 2.008 -0.330 0.035 0.169 RESID 63 (K): 1.907 ----- 0.106 0.332 -1.727 0.664 RESID 64 (A): 0.016 ----- -0.469 -0.304 -0.463 -0.254 RESID 65 (K): -1.837 ----- -0.456 -0.173 -2.179 0.078 RESID 66 (K): 2.885 ----- -0.531 -1.227 -0.838 0.603 RESID 67 (I): -4.942 ----- -1.402 0.040 -0.584 -0.230 RESID 68 (D): -2.772 ----- -3.584 0.104 1.699 1.153 RESID 69 (A): -0.380 ----- 1.038 -1.100 -0.023 0.059 RESID 70 (I): 0.059 ----- 0.079 -0.599 0.173 1.363 RESID 71 (M): -1.136 ----- -1.379 -1.878 -0.763 0.135 RESID 72 (S): 1.956 ----- -0.972 0.917 -0.479 0.142 RESID 73 (S): 4.109 ----- -0.126 -1.336 -0.174 -0.080 RESID 74 (L): -2.711 ----- -0.470 -1.264 -0.223 0.949 RESID 75 (S): 2.054 ----- 0.895 2.187 -1.685 0.254 RESID 76 (I): 9.562 ----- 0.871 1.832 -3.909 0.001 RESID 77 (T): 3.126 ----- -0.267 -2.239 -0.720 -1.020 RESID 78 (E): -0.451 ----- 1.629 -1.737 -0.642 0.037 RESID 79 (K): 0.102 ----- 1.578 -0.299 -0.692 0.048 RESID 80 (R): -0.326 ----- 0.144 0.385 0.304 0.280 RESID 81 (Q): -0.741 ----- -2.435 -1.572 0.344 0.104 RESID 82 (Q): -2.679 ----- -0.384 -1.159 -0.516 -0.693 RESID 83 (E): -2.135 ----- -0.912 -1.439 1.911 -0.303 RESID 84 (I): 3.241 ----- -1.350 0.472 -0.669 0.306 RESID 85 (A): 0.227 ----- -0.255 -1.117 0.847 0.249 RESID 86 (F): -3.527 ----- 2.986 -1.051 0.235 -0.319 RESID 87 (T): -6.720 ----- 0.901 0.728 2.702 -0.460 RESID 88 (D): -2.092 ----- -1.335 -0.746 1.054 -0.017 RESID 89 (K): 1.529 ----- -0.434 -1.726 0.324 -0.036 RESID 90 (L): -3.071 ----- 0.329 -2.778 -1.640 0.019 RESID 91 (Y): 0.562 ----- -1.136 0.648 -2.857 -0.334 RESID 92 (A): 0.668 ----- -1.211 0.748 0.614 -0.960 RESID 93 (A): -0.482 ----- -0.935 0.443 -0.101 0.159 RESID 94 (D): 1.267 ----- -0.815 -1.214 -0.186 0.763 RESID 95 (S): -1.813 ----- -1.456 0.511 -0.066 -1.030 RESID 96 (R): 4.652 ----- -0.131 1.591 -0.285 0.478 RESID 97 (L): -0.901 ----- 1.671 0.399 -1.808 1.334 RESID 98 (V): 1.287 ----- 0.686 0.887 0.599 1.522 RESID 99 (V): -3.804 ----- 0.657 -0.671 1.032 1.171 RESID 100 (A): 0.654 ----- 0.981 2.028 -1.970 0.724 RESID 101 (K): -4.217 ----- -0.343 0.477 -0.623 -1.063 RESID 102 (N): -1.155 ----- 0.254 -2.315 -1.605 -0.245 RESID 103 (S): 0.130 ----- 2.717 0.679 0.393 0.119 RESID 104 (D): -0.790 ----- 1.530 -1.029 -0.525 0.012 RESID 105 (I): -1.730 ----- -0.776 2.966 -3.015 -0.361 RESID 106 (Q): -0.338 ----- 0.881 -0.683 1.103 -0.322 RESID 107 (P): ----- ----- -0.494 -1.776 -4.187 ----- RESID 108 (T): -3.131 ----- -0.373 -3.924 -0.950 0.882 RESID 109 (V): -1.377 ----- 0.364 0.861 -2.190 0.295 RESID 110 (E): -3.937 ----- -0.318 -0.886 -0.890 0.011 RESID 111 (S): -0.053 ----- 0.588 -1.611 1.175 -1.059 RESID 112 (L): -4.132 ----- 0.049 -0.777 0.070 0.348 RESID 113 (K): 1.754 ----- 0.698 0.615 -1.388 -0.275 RESID 114 (G): 0.948 ----- -0.598 -0.101 ----- 0.101 RESID 115 (K): -1.165 ----- -1.313 -1.099 -1.275 0.653 RESID 116 (R): -1.534 ----- 0.577 -0.996 0.502 1.024 RESID 117 (V): 2.858 ----- 0.333 -0.122 -1.918 0.623 RESID 118 (G): 0.266 ----- -0.216 1.393 ----- 1.287 RESID 119 (V): -5.998 ----- 0.065 -2.163 -0.620 -0.157 RESID 120 (L): 0.297 ----- 1.202 -0.283 -1.505 0.132 RESID 121 (Q): 0.895 ----- -0.344 -0.416 -1.613 0.301 RESID 122 (G): -0.151 ----- 1.529 -0.230 ----- 0.650 RESID 123 (T): -1.840 ----- 2.346 0.297 2.837 -0.526 RESID 124 (T): 1.076 ----- 1.579 -0.791 -1.010 0.285 RESID 125 (Q): -1.739 ----- 0.161 1.963 -2.722 -0.762 RESID 126 (E): 2.131 ----- -1.308 -0.187 -0.908 -0.082 RESID 127 (T): 1.525 ----- -0.186 -0.495 -1.142 0.548 RESID 128 (F): -0.045 ----- 0.438 0.834 -0.119 0.230 RESID 129 (G): -0.096 ----- -0.367 -0.536 ----- -0.256 RESID 130 (N): 4.560 ----- 0.368 0.067 -0.627 0.354 RESID 131 (E): 2.262 ----- 0.806 1.231 -1.410 0.424 RESID 132 (H): -6.046 ----- 0.343 -1.873 0.688 0.009 RESID 133 (W): 1.883 ----- 0.632 -0.967 0.647 0.145 RESID 134 (A): 0.755 ----- 0.488 0.790 -0.825 1.171 RESID 135 (P): ----- ----- -0.027 -0.048 -0.183 ----- RESID 136 (K): -0.693 ----- -1.054 -2.354 -0.425 -0.437 RESID 137 (G): -2.260 ----- 0.785 0.366 ----- 0.191 RESID 138 (I): 5.031 ----- -0.382 0.359 -1.762 -0.587 RESID 139 (E): 1.163 ----- -1.195 0.456 -1.759 -0.098 RESID 140 (I): 7.967 ----- 1.369 -1.917 -6.225 0.292 RESID 141 (V): 8.043 ----- -0.045 -0.082 -3.897 0.277 RESID 142 (S): 2.656 ----- 1.400 0.459 -0.155 0.121 RESID 143 (Y): -2.648 ----- -0.514 -0.381 0.893 -0.356 RESID 144 (Q): -0.224 ----- 1.047 0.612 -1.464 0.243 RESID 145 (G): -0.552 ----- -0.664 -0.009 ----- -0.333 RESID 146 (Q): 1.401 ----- -0.153 -1.014 -0.452 0.086 RESID 147 (D): -0.506 ----- 0.428 -0.187 -0.857 -0.039 RESID 148 (N): -0.379 ----- -0.552 -0.548 0.582 -1.046 RESID 149 (I): 0.245 ----- -0.165 -0.562 -1.750 -0.393 RESID 150 (Y): -0.673 ----- 0.636 -1.918 -1.731 -0.513 RESID 151 (S): 1.991 ----- -0.061 -0.583 -0.310 -0.068 RESID 152 (D): -1.134 ----- 0.631 -0.295 -2.113 -0.186 RESID 153 (L): 2.921 ----- 1.769 0.622 -0.195 0.490 RESID 154 (T): -1.620 ----- 1.332 -1.508 -0.315 0.089 RESID 155 (A): 1.068 ----- 0.209 -0.923 -0.268 0.385 RESID 156 (G): 0.713 ----- -0.265 0.244 ----- -0.104 RESID 157 (R): -0.228 ----- 0.903 -0.345 -0.369 0.328 RESID 158 (I): -3.873 ----- -0.590 0.692 -1.004 -0.006 RESID 159 (D): -4.729 ----- -0.963 -0.443 1.894 0.213 RESID 160 (A): -0.039 ----- 0.574 -1.280 1.625 0.534 RESID 161 (A): 1.570 ----- -0.180 -0.486 -0.520 0.912 RESID 162 (F): 2.664 ----- -2.078 -3.705 0.592 0.567 RESID 163 (Q): 1.269 ----- -0.285 -0.087 1.243 -0.406 RESID 164 (D): 0.971 ----- -1.417 1.103 0.346 -0.119 RESID 165 (E): 5.705 ----- -0.414 0.117 0.203 -0.136 RESID 166 (V): 1.287 ----- 1.059 0.114 -0.161 0.574 RESID 167 (A): 3.013 ----- 3.406 0.315 -0.084 0.778 RESID 168 (A): -0.774 ----- 0.113 -0.390 0.355 0.514 RESID 169 (S): -0.898 ----- -0.593 -1.738 0.560 -0.018 RESID 170 (E): -4.856 ----- 1.368 -0.660 0.676 0.927 RESID 171 (G): -1.194 ----- -1.297 -0.264 ----- 0.798 RESID 172 (F): -2.542 ----- -1.979 -0.508 1.593 -1.035 RESID 173 (L): 0.592 ----- 0.505 0.879 -1.896 0.976 RESID 174 (K): -2.691 ----- 0.701 -0.869 -0.878 0.348 RESID 175 (Q): 1.788 ----- 2.068 0.266 -3.140 -0.110 RESID 176 (P): ----- ----- 1.970 0.657 -0.808 ----- RESID 177 (V): -4.999 ----- -2.006 -3.121 0.088 -0.209 RESID 178 (G): 3.992 ----- 0.213 -2.095 ----- -0.741 RESID 179 (K): 1.733 ----- -0.449 -0.095 -1.050 -0.409 RESID 180 (D): 0.135 ----- -1.937 -1.929 -1.604 0.591 RESID 181 (Y): 5.466 ----- -1.186 0.154 -0.453 0.335 RESID 182 (K): -2.048 ----- 0.597 -2.089 2.287 0.645 RESID 183 (F): -4.334 ----- 2.752 -1.321 -4.528 0.562 RESID 184 (G): 4.295 ----- -1.409 1.876 ----- 0.242 RESID 185 (G): 0.821 ----- -1.788 -1.034 ----- -0.785 RESID 186 (P): ----- ----- -0.708 -2.490 0.793 ----- RESID 187 (S): -6.065 ----- -0.270 0.543 -2.567 0.074 RESID 188 (V): 0.975 ----- 0.160 0.029 -1.539 1.124 RESID 189 (K): 3.197 ----- 2.617 -1.575 -0.638 -0.045 RESID 190 (D): -1.893 ----- -1.603 2.104 2.086 0.541 RESID 191 (E): 2.565 ----- -0.187 0.911 -1.054 0.376 RESID 192 (K): -1.171 ----- 0.367 -0.739 -0.490 -0.676 RESID 193 (L): -0.196 ----- -0.677 -1.071 0.316 1.172 RESID 194 (F): 1.526 ----- 2.299 -2.630 -2.012 0.647 RESID 195 (G): -1.985 ----- -0.381 -0.839 ----- -0.148 RESID 196 (V): -11.636 ----- -0.521 -3.260 -1.510 -0.268 RESID 197 (G): 2.876 ----- 0.291 -2.081 ----- 0.532 RESID 198 (T): -4.176 ----- -0.333 -0.228 -0.212 -0.177 RESID 199 (G): -4.270 ----- -0.444 -1.792 ----- 0.075 RESID 200 (M): 1.922 ----- 0.122 0.470 -2.189 -0.212 RESID 201 (G): 1.686 ----- -0.733 0.207 ----- 0.334 RESID 202 (L): -0.333 ----- 0.018 0.877 0.143 0.106 RESID 203 (R): 1.441 ----- 2.478 1.669 -1.645 2.152 RESID 204 (K): -1.224 ----- 0.559 -0.093 -0.306 0.564 RESID 205 (E): -3.254 ----- -0.213 -0.978 -1.127 0.804 RESID 206 (D): 5.100 ----- 0.819 0.070 -1.155 -0.803 RESID 207 (N): -0.352 ----- -0.104 0.491 -0.070 -0.863 RESID 208 (E): 1.509 ----- 1.421 0.879 -1.816 0.448 RESID 209 (L): 2.480 ----- -1.110 -0.136 -1.184 0.509 RESID 210 (R): 0.290 ----- -0.820 0.221 0.085 -0.759 RESID 211 (E): -3.043 ----- 1.273 -0.113 -0.996 0.523 RESID 212 (A): 0.815 ----- 1.643 0.086 -0.966 0.502 RESID 213 (L): 1.650 ----- -1.217 -0.475 0.242 0.282 RESID 214 (N): 2.742 ----- 1.852 -0.604 -0.809 0.113 RESID 215 (K): 2.453 ----- -0.117 -0.321 -0.741 -0.384 RESID 216 (A): 0.469 ----- -0.006 -0.745 0.441 -0.249 RESID 217 (F): -0.634 ----- 0.233 1.116 -1.065 0.620 RESID 218 (A): 0.073 ----- 2.424 -0.402 -1.336 -0.210 RESID 219 (E): 0.977 ----- -0.404 -0.257 -1.163 0.110 RESID 220 (M): 2.713 ----- 0.460 -2.057 0.160 0.106 RESID 221 (R): 0.796 ----- 0.427 -0.226 -2.377 0.227 RESID 222 (A): 0.408 ----- 0.363 -0.448 -0.533 0.098 RESID 223 (D): 0.413 ----- 0.648 -0.107 -0.890 0.108 RESID 224 (G): -2.103 ----- -0.024 -1.227 ----- -0.210 RESID 225 (T): 5.249 ----- 0.369 -0.282 -1.920 0.312 RESID 226 (Y): -0.199 ----- -0.930 0.151 0.081 0.390 RESID 227 (E): -0.518 ----- -0.518 -0.561 -0.337 -0.448 RESID 228 (K): -1.274 ----- 0.398 -0.235 -0.919 -0.835 RESID 229 (L): -0.303 ----- 0.455 -0.758 -0.376 -0.072 RESID 230 (A): -0.970 ----- 1.190 -0.669 -0.175 0.491 RESID 231 (K): -1.147 ----- -0.771 -1.549 -1.008 -0.026 RESID 232 (K): 0.336 ----- -2.387 -0.834 -1.508 -0.380 RESID 233 (Y): -3.004 ----- -0.756 -3.168 0.339 -1.031 RESID 234 (F): 2.622 ----- 2.352 -1.849 -1.712 -0.129 RESID 235 (D): 2.277 ----- -0.292 -0.562 0.754 0.285 RESID 236 (F): -5.134 ----- -0.064 -2.682 0.097 -0.722 RESID 237 (D): -2.202 ----- -1.258 0.424 -2.551 0.238 RESID 238 (V): 7.445 ----- -1.480 -3.210 0.637 -0.913 RESID 239 (Y): 4.409 ----- -2.025 0.859 0.216 0.449 RESID 240 (G): -0.286 ----- -0.266 0.631 ----- -0.959 DATA CS_STAT_INFO N RMS: 2.889 ppm Count: 226 Average Difference: -0.150 +/- 2.891 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.290 ppm Count: 236 Average Difference: -0.109 +/- 1.288 ppm DATA CS_STAT_INFO CA RMS: 1.340 ppm Count: 236 Average Difference: 0.533 +/- 1.232 ppm DATA CS_STAT_INFO CB RMS: 2.465 ppm Count: 215 Average Difference: 0.525 +/- 2.414 ppm DATA CS_STAT_INFO HN RMS: 0.591 ppm Count: 226 Average Difference: -0.115 +/- 0.581 ppm ############################################################################ For conformer 9: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.252 0.048 RESID 5 (I): C 174.300 174.300 174.356 -0.056 RESID 5 (I): CA 57.710 57.710 59.797 -2.087 RESID 5 (I): CB 37.260 37.260 37.757 -0.497 RESID 5 (I): H 7.868 7.868 8.235 -0.367 RESID 6 (P): C 176.100 176.100 176.803 -0.703 RESID 6 (P): CA 62.180 62.180 62.803 -0.623 RESID 6 (P): CB 31.620 31.620 32.347 -0.727 RESID 7 (Q): N 119.200 119.200 118.718 0.482 RESID 7 (Q): C 175.600 175.600 176.000 -0.400 RESID 7 (Q): CA 57.190 57.190 58.097 -0.907 RESID 7 (Q): CB 28.500 28.500 28.993 -0.493 RESID 7 (Q): H 8.380 8.380 8.713 -0.333 RESID 8 (N): N 116.300 116.300 114.769 1.531 RESID 8 (N): C 173.600 173.600 174.131 -0.531 RESID 8 (N): CA 51.720 51.720 52.329 -0.609 RESID 8 (N): CB 40.540 40.540 41.362 -0.822 RESID 8 (N): H 7.472 7.472 7.814 -0.342 RESID 9 (I): N 121.000 121.000 123.454 -2.454 RESID 9 (I): C 174.700 174.700 174.855 -0.155 RESID 9 (I): CA 59.480 59.480 60.214 -0.734 RESID 9 (I): CB 39.740 39.740 39.602 0.138 RESID 9 (I): H 8.416 8.416 9.141 -0.725 RESID 10 (R): N 126.500 126.500 127.784 -1.284 RESID 10 (R): C 175.800 175.800 175.050 0.750 RESID 10 (R): CA 53.950 53.950 55.730 -1.780 RESID 10 (R): CB 30.670 30.670 30.929 -0.259 RESID 10 (R): H 9.098 9.098 8.697 0.401 RESID 11 (I): N 127.500 127.500 124.178 3.322 RESID 11 (I): C 175.600 175.600 175.259 0.341 RESID 11 (I): CA 59.480 59.480 59.379 0.101 RESID 11 (I): CB 37.460 37.460 41.477 -4.017 RESID 11 (I): H 9.279 9.279 9.000 0.279 RESID 12 (G): N 114.800 114.800 114.309 0.491 RESID 12 (G): C 171.700 171.700 172.975 -1.275 RESID 12 (G): CA 44.540 44.540 44.283 0.257 RESID 12 (G): H 9.382 9.382 8.607 0.775 RESID 13 (T): N 120.600 120.600 121.600 -1.000 RESID 13 (T): C 181.600 181.600 173.037 8.563 RESID 13 (T): CA 61.470 61.470 62.064 -0.594 RESID 13 (T): CB 69.970 69.970 71.804 -1.834 RESID 13 (T): H 8.594 8.594 7.972 0.622 RESID 14 (D): N 127.000 127.000 127.741 -0.741 RESID 14 (D): C 177.500 177.500 174.741 2.759 RESID 14 (D): CA 49.760 49.760 50.313 -0.553 RESID 14 (D): CB 40.580 40.580 42.302 -1.722 RESID 14 (D): H 8.200 8.200 8.693 -0.493 RESID 15 (P): C 175.400 175.400 176.450 -1.050 RESID 15 (P): CA 61.920 61.920 63.326 -1.406 RESID 15 (P): CB 27.890 27.890 32.397 -4.507 RESID 16 (T): N 116.200 116.200 110.677 5.523 RESID 16 (T): C 174.000 174.000 173.232 0.768 RESID 16 (T): CA 59.560 59.560 62.008 -2.448 RESID 16 (T): CB 68.650 68.650 69.822 -1.172 RESID 16 (T): H 8.739 8.739 8.268 0.471 RESID 17 (Y): N 125.800 125.800 121.893 3.907 RESID 17 (Y): C 175.200 175.200 175.659 -0.459 RESID 17 (Y): CA 54.180 54.180 56.085 -1.905 RESID 17 (Y): CB 38.700 38.700 38.422 0.278 RESID 17 (Y): H 8.943 8.943 8.044 0.899 RESID 18 (A): N 132.100 132.100 129.675 2.425 RESID 18 (A): C 176.000 176.000 176.455 -0.455 RESID 18 (A): CA 51.490 51.490 56.071 -4.581 RESID 18 (A): CB 16.070 16.070 16.252 -0.181 RESID 18 (A): H 8.945 8.945 8.927 0.018 RESID 19 (P): C 173.500 173.500 177.804 -4.304 RESID 19 (P): CA 62.890 62.890 65.247 -2.357 RESID 19 (P): CB 31.790 31.790 31.585 0.205 RESID 20 (F): N 125.100 125.100 117.345 7.755 RESID 20 (F): C 176.700 176.700 175.114 1.586 RESID 20 (F): CA 62.420 62.420 59.701 2.719 RESID 20 (F): CB 37.980 37.980 41.045 -3.065 RESID 20 (F): H 8.117 8.117 8.239 -0.122 RESID 21 (E): N 111.800 111.800 114.512 -2.712 RESID 21 (E): C 173.600 173.600 174.428 -0.828 RESID 21 (E): CA 54.400 54.400 55.232 -0.832 RESID 21 (E): CB 28.770 28.770 34.143 -5.373 RESID 21 (E): H 7.701 7.701 8.489 -0.788 RESID 22 (S): N 117.200 117.200 113.134 4.066 RESID 22 (S): C 171.500 171.500 172.280 -0.780 RESID 22 (S): CA 57.290 57.290 58.558 -1.268 RESID 22 (S): CB 62.940 62.940 64.157 -1.217 RESID 22 (S): H 8.750 8.750 8.311 0.439 RESID 23 (K): N 117.400 117.400 119.248 -1.848 RESID 23 (K): C 177.600 177.600 174.990 2.610 RESID 23 (K): CA 53.700 53.700 55.369 -1.669 RESID 23 (K): CB 33.330 33.330 35.139 -1.809 RESID 23 (K): H 8.238 8.238 8.232 0.006 RESID 24 (N): N 122.400 122.400 120.773 1.627 RESID 24 (N): C 178.000 178.000 176.934 1.066 RESID 24 (N): CA 50.600 50.600 51.889 -1.289 RESID 24 (N): CB 38.140 38.140 40.037 -1.897 RESID 24 (N): H 8.584 8.584 8.516 0.068 RESID 25 (S): C 175.400 175.400 175.440 -0.040 RESID 25 (S): CA 60.970 60.970 60.941 0.030 RESID 25 (S): CB 62.410 62.410 62.587 -0.177 RESID 26 (Q): N 119.300 119.300 119.500 -0.200 RESID 26 (Q): C 176.200 176.200 176.785 -0.585 RESID 26 (Q): CA 55.180 55.180 55.588 -0.408 RESID 26 (Q): CB 28.260 28.260 28.710 -0.450 RESID 26 (Q): H 7.520 7.520 7.885 -0.365 RESID 27 (G): N 108.800 108.800 107.563 1.237 RESID 27 (G): C 173.700 173.700 173.981 -0.281 RESID 27 (G): CA 45.050 45.050 44.989 0.062 RESID 27 (G): H 8.169 8.169 7.807 0.362 RESID 28 (E): N 121.200 121.200 119.551 1.649 RESID 28 (E): C 175.800 175.800 175.539 0.261 RESID 28 (E): CA 54.490 54.490 55.798 -1.308 RESID 28 (E): CB 29.750 29.750 30.737 -0.987 RESID 28 (E): H 7.836 7.836 8.127 -0.291 RESID 29 (L): N 123.500 123.500 121.030 2.470 RESID 29 (L): C 176.400 176.400 175.909 0.491 RESID 29 (L): CA 54.310 54.310 53.881 0.429 RESID 29 (L): CB 41.180 41.180 43.014 -1.834 RESID 29 (L): H 8.281 8.281 8.278 0.003 RESID 30 (V): N 118.200 118.200 122.360 -4.160 RESID 30 (V): C 175.300 175.300 173.654 1.646 RESID 30 (V): CA 58.360 58.360 60.136 -1.776 RESID 30 (V): CB 36.080 36.080 36.187 -0.107 RESID 30 (V): H 8.900 8.900 7.864 1.036 RESID 31 (G): N 109.800 109.800 109.844 -0.044 RESID 31 (G): C 174.400 174.400 173.530 0.870 RESID 31 (G): CA 43.830 43.830 45.162 -1.332 RESID 31 (G): H 8.611 8.611 7.434 1.177 RESID 32 (F): N 119.900 119.900 122.924 -3.024 RESID 32 (F): C 177.900 177.900 176.178 1.722 RESID 32 (F): CA 59.800 59.800 59.974 -0.174 RESID 32 (F): CB 38.950 38.950 39.315 -0.365 RESID 32 (F): H 8.295 8.295 8.276 0.019 RESID 33 (D): N 116.500 116.500 119.057 -2.557 RESID 33 (D): C 179.100 179.100 178.029 1.071 RESID 33 (D): CA 56.180 56.180 56.548 -0.368 RESID 33 (D): CB 38.610 38.610 40.211 -1.601 RESID 33 (D): H 8.935 8.935 7.196 1.739 RESID 34 (I): N 118.800 118.800 119.606 -0.806 RESID 34 (I): C 178.000 178.000 177.699 0.301 RESID 34 (I): CA 60.950 60.950 64.738 -3.788 RESID 34 (I): CB 33.620 33.620 37.799 -4.179 RESID 34 (I): H 6.535 6.535 7.730 -1.195 RESID 35 (D): N 121.000 121.000 120.389 0.611 RESID 35 (D): C 180.300 180.300 178.723 1.577 RESID 35 (D): CA 57.100 57.100 57.461 -0.361 RESID 35 (D): CB 40.420 40.420 40.347 0.073 RESID 35 (D): H 8.536 8.536 7.796 0.740 RESID 36 (L): N 120.500 120.500 120.934 -0.434 RESID 36 (L): C 178.500 178.500 177.992 0.508 RESID 36 (L): CA 57.720 57.720 57.797 -0.077 RESID 36 (L): CB 42.230 42.230 41.573 0.657 RESID 36 (L): H 8.508 8.508 7.221 1.287 RESID 37 (A): N 120.200 120.200 121.838 -1.638 RESID 37 (A): C 178.600 178.600 179.512 -0.912 RESID 37 (A): CA 55.170 55.170 55.333 -0.163 RESID 37 (A): CB 17.340 17.340 18.416 -1.075 RESID 37 (A): H 8.383 8.383 7.631 0.752 RESID 38 (K): N 116.400 116.400 119.305 -2.905 RESID 38 (K): C 180.100 180.100 179.166 0.934 RESID 38 (K): CA 60.530 60.530 60.000 0.530 RESID 38 (K): CB 31.840 31.840 32.335 -0.495 RESID 38 (K): H 8.780 8.780 8.111 0.669 RESID 39 (E): N 121.500 121.500 119.319 2.181 RESID 39 (E): C 178.300 178.300 179.391 -1.091 RESID 39 (E): CA 58.430 58.430 59.334 -0.904 RESID 39 (E): CB 27.990 27.990 29.517 -1.528 RESID 39 (E): H 7.692 7.692 7.800 -0.108 RESID 40 (L): N 121.500 121.500 120.367 1.133 RESID 40 (L): C 178.700 178.700 178.844 -0.144 RESID 40 (L): CA 58.490 58.490 58.265 0.225 RESID 40 (L): CB 40.250 40.250 41.735 -1.485 RESID 40 (L): H 8.563 8.563 7.947 0.616 RESID 41 (C): N 115.700 115.700 118.536 -2.836 RESID 41 (C): C 175.800 175.800 177.486 -1.686 RESID 41 (C): CA 62.390 62.390 62.789 -0.399 RESID 41 (C): CB 46.860 46.860 25.454 21.406 RESID 41 (C): H 8.598 8.598 8.758 -0.160 RESID 42 (K): N 119.300 119.300 119.563 -0.263 RESID 42 (K): C 180.800 180.800 179.159 1.641 RESID 42 (K): CA 58.810 58.810 59.445 -0.635 RESID 42 (K): CB 31.430 31.430 32.353 -0.923 RESID 42 (K): H 7.490 7.490 8.073 -0.583 RESID 43 (R): N 119.500 119.500 118.103 1.397 RESID 43 (R): C 178.700 178.700 178.672 0.028 RESID 43 (R): CA 58.760 58.760 58.478 0.282 RESID 43 (R): CB 29.980 29.980 30.222 -0.242 RESID 43 (R): H 8.057 8.057 7.552 0.505 RESID 44 (I): N 111.800 111.800 117.522 -5.722 RESID 44 (I): C 175.000 175.000 175.819 -0.819 RESID 44 (I): CA 60.940 60.940 63.084 -2.143 RESID 44 (I): CB 36.630 36.630 38.166 -1.536 RESID 44 (I): H 7.765 7.765 8.465 -0.700 RESID 45 (N): N 118.800 118.800 115.739 3.061 RESID 45 (N): C 173.600 173.600 173.945 -0.345 RESID 45 (N): CA 53.670 53.670 54.628 -0.958 RESID 45 (N): CB 36.620 36.620 35.917 0.703 RESID 45 (N): H 7.752 7.752 8.038 -0.286 RESID 46 (T): N 112.800 112.800 105.627 7.173 RESID 46 (T): C 173.100 173.100 172.801 0.299 RESID 46 (T): CA 60.020 60.020 60.328 -0.308 RESID 46 (T): CB 70.500 70.500 71.809 -1.309 RESID 46 (T): H 7.920 7.920 7.948 -0.028 RESID 47 (Q): N 123.500 123.500 119.939 3.561 RESID 47 (Q): C 175.400 175.400 174.586 0.814 RESID 47 (Q): CA 54.550 54.550 55.072 -0.522 RESID 47 (Q): CB 28.670 28.670 30.584 -1.914 RESID 47 (Q): H 8.037 8.037 8.290 -0.253 RESID 48 (C): N 123.800 123.800 124.261 -0.461 RESID 48 (C): C 173.800 173.800 174.464 -0.664 RESID 48 (C): CA 53.170 53.170 57.811 -4.641 RESID 48 (C): CB 47.290 47.290 29.387 17.903 RESID 48 (C): H 8.881 8.881 8.676 0.205 RESID 49 (T): N 118.600 118.600 120.660 -2.060 RESID 49 (T): C 172.700 172.700 172.548 0.152 RESID 49 (T): CA 60.210 60.210 61.244 -1.034 RESID 49 (T): CB 70.980 70.980 71.032 -0.052 RESID 49 (T): H 8.324 8.324 8.823 -0.499 RESID 50 (F): N 123.800 123.800 125.987 -2.187 RESID 50 (F): C 175.800 175.800 175.921 -0.121 RESID 50 (F): CA 57.370 57.370 57.400 -0.030 RESID 50 (F): CB 40.730 40.730 40.254 0.476 RESID 50 (F): H 8.982 8.982 8.640 0.342 RESID 51 (V): N 126.300 126.300 123.856 2.444 RESID 51 (V): C 174.700 174.700 174.741 -0.041 RESID 51 (V): CA 60.650 60.650 60.676 -0.026 RESID 51 (V): CB 33.700 33.700 35.324 -1.624 RESID 51 (V): H 9.271 9.271 9.058 0.213 RESID 52 (E): N 126.900 126.900 129.074 -2.174 RESID 52 (E): C 176.900 176.900 175.247 1.653 RESID 52 (E): CA 54.480 54.480 57.273 -2.793 RESID 52 (E): CB 29.350 29.350 30.371 -1.021 RESID 52 (E): H 8.617 8.617 8.771 -0.154 RESID 53 (N): N 127.100 127.100 120.852 6.248 RESID 53 (N): C 170.600 170.600 172.407 -1.807 RESID 53 (N): CA 51.220 51.220 51.413 -0.192 RESID 53 (N): CB 43.980 43.980 38.360 5.620 RESID 53 (N): H 8.917 8.917 8.232 0.685 RESID 54 (P): C 178.600 178.600 178.790 -0.190 RESID 54 (P): CA 61.650 61.650 62.354 -0.704 RESID 54 (P): CB 31.460 31.460 32.895 -1.435 RESID 55 (L): N 124.200 124.200 124.131 0.069 RESID 55 (L): C 179.600 179.600 178.722 0.878 RESID 55 (L): CA 58.130 58.130 59.233 -1.103 RESID 55 (L): CB 41.470 41.470 41.365 0.105 RESID 55 (L): H 9.096 9.096 8.799 0.297 RESID 56 (D): N 115.400 115.400 119.009 -3.609 RESID 56 (D): C 176.500 176.500 177.329 -0.829 RESID 56 (D): CA 56.080 56.080 56.860 -0.780 RESID 56 (D): CB 39.640 39.640 40.181 -0.541 RESID 56 (D): H 8.651 8.651 8.531 0.120 RESID 57 (A): N 120.400 120.400 119.922 0.478 RESID 57 (A): C 180.000 180.000 178.963 1.037 RESID 57 (A): CA 51.440 51.440 53.617 -2.177 RESID 57 (A): CB 19.170 19.170 19.638 -0.468 RESID 57 (A): H 8.079 8.079 8.328 -0.249 RESID 58 (L): N 122.300 122.300 121.175 1.125 RESID 58 (L): C 177.800 177.800 178.764 -0.964 RESID 58 (L): CA 58.960 58.960 58.104 0.856 RESID 58 (L): CB 40.150 40.150 41.907 -1.756 RESID 58 (L): H 7.783 7.783 8.075 -0.292 RESID 59 (I): N 119.600 119.600 119.490 0.110 RESID 59 (I): C 176.400 176.400 175.139 1.261 RESID 59 (I): CA 68.170 68.170 66.538 1.632 RESID 59 (I): CB 33.980 33.980 34.696 -0.716 RESID 59 (I): H 9.094 9.094 7.709 1.385 RESID 60 (P): C 180.100 180.100 179.214 0.886 RESID 60 (P): CA 65.890 65.890 66.493 -0.603 RESID 60 (P): CB 29.980 29.980 31.259 -1.279 RESID 61 (S): N 114.800 114.800 114.939 -0.139 RESID 61 (S): C 175.500 175.500 176.684 -1.184 RESID 61 (S): CA 62.170 62.170 61.853 0.317 RESID 61 (S): H 7.865 7.865 8.225 -0.360 RESID 62 (L): N 126.200 126.200 123.069 3.131 RESID 62 (L): C 181.000 181.000 179.038 1.962 RESID 62 (L): CA 57.400 57.400 57.740 -0.340 RESID 62 (L): CB 41.820 41.820 41.813 0.007 RESID 62 (L): H 8.296 8.296 8.109 0.187 RESID 63 (K): N 121.000 121.000 119.145 1.855 RESID 63 (K): C 178.000 178.000 178.224 -0.224 RESID 63 (K): CA 59.500 59.500 59.262 0.238 RESID 63 (K): CB 30.770 30.770 32.466 -1.696 RESID 63 (K): H 8.461 8.461 7.732 0.729 RESID 64 (A): N 118.700 118.700 118.520 0.180 RESID 64 (A): C 176.200 176.200 176.654 -0.454 RESID 64 (A): CA 51.680 51.680 51.901 -0.221 RESID 64 (A): CB 18.140 18.140 18.454 -0.314 RESID 64 (A): H 7.686 7.686 7.978 -0.292 RESID 65 (K): N 112.200 112.200 114.043 -1.843 RESID 65 (K): C 176.000 176.000 176.445 -0.445 RESID 65 (K): CA 57.800 57.800 57.964 -0.164 RESID 65 (K): CB 27.730 27.730 29.886 -2.156 RESID 65 (K): H 7.751 7.751 7.702 0.049 RESID 66 (K): N 118.300 118.300 115.416 2.884 RESID 66 (K): C 176.600 176.600 177.154 -0.554 RESID 66 (K): CA 57.200 57.200 58.459 -1.259 RESID 66 (K): CB 32.170 32.170 33.016 -0.846 RESID 66 (K): H 8.415 8.415 7.826 0.589 RESID 67 (I): N 107.500 107.500 112.667 -5.167 RESID 67 (I): C 174.000 174.000 175.410 -1.410 RESID 67 (I): CA 59.050 59.050 59.068 -0.018 RESID 67 (I): CB 40.470 40.470 41.002 -0.532 RESID 67 (I): H 7.034 7.034 7.264 -0.230 RESID 68 (D): N 119.000 119.000 122.454 -3.454 RESID 68 (D): C 172.200 172.200 175.945 -3.745 RESID 68 (D): CA 55.560 55.560 55.307 0.253 RESID 68 (D): CB 44.210 44.210 42.499 1.711 RESID 68 (D): H 9.739 9.739 8.456 1.283 RESID 69 (A): N 117.400 117.400 118.292 -0.892 RESID 69 (A): C 175.900 175.900 174.818 1.082 RESID 69 (A): CA 50.120 50.120 51.160 -1.040 RESID 69 (A): CB 21.960 21.960 22.157 -0.197 RESID 69 (A): H 7.660 7.660 7.768 -0.108 RESID 70 (I): N 120.500 120.500 120.926 -0.426 RESID 70 (I): C 174.500 174.500 174.507 -0.007 RESID 70 (I): CA 60.060 60.060 60.623 -0.563 RESID 70 (I): CB 41.190 41.190 40.912 0.278 RESID 70 (I): H 9.402 9.402 8.121 1.281 RESID 71 (M): N 128.300 128.300 129.313 -1.013 RESID 71 (M): C 172.500 172.500 173.723 -1.223 RESID 71 (M): CA 53.040 53.040 55.052 -2.012 RESID 71 (M): CB 33.940 33.940 34.257 -0.317 RESID 71 (M): H 8.431 8.431 8.220 0.211 RESID 72 (S): N 122.700 122.700 120.176 2.524 RESID 72 (S): C 172.800 172.800 174.737 -1.937 RESID 72 (S): CA 57.630 57.630 56.545 1.085 RESID 72 (S): CB 64.590 64.590 65.137 -0.547 RESID 72 (S): H 8.717 8.717 8.577 0.140 RESID 73 (S): N 120.600 120.600 115.572 5.028 RESID 73 (S): C 174.900 174.900 174.852 0.048 RESID 73 (S): CA 58.590 58.590 59.644 -1.054 RESID 73 (S): CB 62.920 62.920 62.810 0.110 RESID 73 (S): H 8.570 8.570 8.660 -0.090 RESID 74 (L): N 120.700 120.700 124.336 -3.636 RESID 74 (L): C 175.300 175.300 175.865 -0.565 RESID 74 (L): CA 54.320 54.320 55.665 -1.345 RESID 74 (L): CB 42.350 42.350 42.883 -0.533 RESID 74 (L): H 8.678 8.678 7.352 1.326 RESID 75 (S): N 122.000 122.000 119.746 2.254 RESID 75 (S): C 174.500 174.500 173.692 0.808 RESID 75 (S): CA 59.250 59.250 57.117 2.133 RESID 75 (S): CB 63.060 63.060 64.689 -1.629 RESID 75 (S): H 8.142 8.142 7.869 0.273 RESID 76 (I): N 125.200 125.200 115.765 9.435 RESID 76 (I): C 175.500 175.500 174.592 0.908 RESID 76 (I): CA 61.340 61.340 59.532 1.808 RESID 76 (I): CB 35.790 35.790 39.656 -3.866 RESID 76 (I): H 8.307 8.307 8.285 0.022 RESID 77 (T): N 116.600 116.600 113.428 3.172 RESID 77 (T): C 174.800 174.800 175.088 -0.288 RESID 77 (T): CA 57.760 57.760 59.959 -2.199 RESID 77 (T): CB 71.570 71.570 72.312 -0.743 RESID 77 (T): H 6.513 6.513 7.522 -1.009 RESID 78 (E): N 124.500 124.500 124.908 -0.408 RESID 78 (E): C 179.500 179.500 177.893 1.607 RESID 78 (E): CA 59.140 59.140 60.874 -1.734 RESID 78 (E): CB 28.630 28.630 29.262 -0.632 RESID 78 (E): H 8.935 8.935 8.924 0.011 RESID 79 (K): N 118.400 118.400 118.371 0.029 RESID 79 (K): C 180.600 180.600 179.065 1.535 RESID 79 (K): CA 58.890 58.890 59.202 -0.312 RESID 79 (K): CB 31.610 31.610 32.299 -0.689 RESID 79 (K): H 8.415 8.415 8.364 0.051 RESID 80 (R): N 118.500 118.500 118.844 -0.344 RESID 80 (R): C 179.100 179.100 178.963 0.137 RESID 80 (R): CA 59.580 59.580 59.233 0.347 RESID 80 (R): CB 30.380 30.380 30.090 0.290 RESID 80 (R): H 7.678 7.678 7.409 0.269 RESID 81 (Q): N 119.000 119.000 119.812 -0.812 RESID 81 (Q): C 176.600 176.600 178.793 -2.193 RESID 81 (Q): CA 57.510 57.510 59.111 -1.601 RESID 81 (Q): CB 28.880 28.880 28.566 0.314 RESID 81 (Q): H 8.418 8.418 8.317 0.101 RESID 82 (Q): N 115.300 115.300 117.568 -2.268 RESID 82 (Q): C 177.400 177.400 177.917 -0.517 RESID 82 (Q): CA 57.280 57.280 58.399 -1.119 RESID 82 (Q): CB 27.950 27.950 28.490 -0.540 RESID 82 (Q): H 7.297 7.297 7.959 -0.662 RESID 83 (E): N 115.600 115.600 117.713 -2.113 RESID 83 (E): C 176.400 176.400 177.309 -0.909 RESID 83 (E): CA 56.950 56.950 58.345 -1.395 RESID 83 (E): CB 33.090 33.090 31.200 1.890 RESID 83 (E): H 7.627 7.627 7.926 -0.299 RESID 84 (I): N 115.100 115.100 111.873 3.227 RESID 84 (I): C 172.600 172.600 173.924 -1.324 RESID 84 (I): CA 59.380 59.380 58.914 0.466 RESID 84 (I): CB 40.830 40.830 41.502 -0.672 RESID 84 (I): H 8.275 8.275 8.000 0.275 RESID 85 (A): N 120.600 120.600 120.375 0.225 RESID 85 (A): C 175.000 175.000 175.207 -0.207 RESID 85 (A): CA 49.150 49.150 50.236 -1.086 RESID 85 (A): CB 22.280 22.280 21.502 0.778 RESID 85 (A): H 8.679 8.679 8.448 0.231 RESID 86 (F): N 115.500 115.500 118.894 -3.394 RESID 86 (F): C 178.800 178.800 175.863 2.937 RESID 86 (F): CA 55.850 55.850 56.764 -0.914 RESID 86 (F): CB 44.300 44.300 44.035 0.265 RESID 86 (F): H 8.283 8.283 8.606 -0.323 RESID 87 (T): N 108.200 108.200 114.741 -6.541 RESID 87 (T): C 174.700 174.700 173.800 0.900 RESID 87 (T): CA 61.930 61.930 61.009 0.921 RESID 87 (T): CB 72.740 72.740 70.141 2.599 RESID 87 (T): H 7.898 7.898 8.320 -0.422 RESID 88 (D): N 118.400 118.400 120.576 -2.176 RESID 88 (D): C 174.300 174.300 175.742 -1.442 RESID 88 (D): CA 55.030 55.030 55.849 -0.819 RESID 88 (D): CB 40.870 40.870 39.852 1.018 RESID 88 (D): H 8.789 8.789 8.836 -0.047 RESID 89 (K): N 118.100 118.100 116.758 1.342 RESID 89 (K): C 176.200 176.200 176.852 -0.652 RESID 89 (K): CA 55.570 55.570 57.243 -1.673 RESID 89 (K): CB 31.850 31.850 31.503 0.347 RESID 89 (K): H 7.666 7.666 7.734 -0.068 RESID 90 (L): N 123.400 123.400 125.945 -2.545 RESID 90 (L): C 178.000 178.000 177.850 0.150 RESID 90 (L): CA 54.450 54.450 57.148 -2.698 RESID 90 (L): CB 41.710 41.710 43.046 -1.336 RESID 90 (L): H 8.778 8.778 8.588 0.190 RESID 91 (Y): N 110.500 110.500 110.044 0.456 RESID 91 (Y): C 172.600 172.600 173.650 -1.050 RESID 91 (Y): CA 56.070 56.070 55.702 0.368 RESID 91 (Y): CB 37.670 37.670 40.545 -2.875 RESID 91 (Y): H 6.810 6.810 7.254 -0.444 RESID 92 (A): N 123.100 123.100 122.443 0.657 RESID 92 (A): C 175.600 175.600 176.718 -1.118 RESID 92 (A): CA 51.940 51.940 51.036 0.903 RESID 92 (A): CB 20.320 20.320 19.563 0.757 RESID 92 (A): H 8.135 8.135 9.074 -0.939 RESID 93 (A): N 127.000 127.000 127.803 -0.803 RESID 93 (A): C 175.700 175.700 176.615 -0.915 RESID 93 (A): CA 51.020 51.020 50.592 0.428 RESID 93 (A): CB 18.310 18.310 18.358 -0.048 RESID 93 (A): H 8.658 8.658 8.234 0.424 RESID 94 (D): N 122.900 122.900 121.567 1.333 RESID 94 (D): C 175.300 175.300 176.126 -0.826 RESID 94 (D): CA 53.910 53.910 55.165 -1.255 RESID 94 (D): CB 42.030 42.030 42.236 -0.206 RESID 94 (D): H 8.497 8.497 7.745 0.752 RESID 95 (S): N 110.300 110.300 112.159 -1.859 RESID 95 (S): C 171.600 171.600 173.068 -1.468 RESID 95 (S): CA 57.850 57.850 57.391 0.459 RESID 95 (S): CB 66.410 66.410 66.515 -0.105 RESID 95 (S): H 6.844 6.844 7.880 -1.036 RESID 96 (R): N 124.300 124.300 119.781 4.519 RESID 96 (R): C 173.700 173.700 173.856 -0.156 RESID 96 (R): CA 57.450 57.450 55.876 1.575 RESID 96 (R): CB 34.070 34.070 34.380 -0.310 RESID 96 (R): H 9.227 9.227 8.851 0.376 RESID 97 (L): N 124.100 124.100 125.043 -0.943 RESID 97 (L): C 177.600 177.600 175.926 1.674 RESID 97 (L): CA 54.150 54.150 53.841 0.309 RESID 97 (L): CB 42.640 42.640 44.397 -1.756 RESID 97 (L): H 9.343 9.343 8.061 1.282 RESID 98 (V): N 124.500 124.500 123.652 0.848 RESID 98 (V): C 175.700 175.700 174.946 0.754 RESID 98 (V): CA 61.770 61.770 60.923 0.847 RESID 98 (V): CB 32.950 32.950 32.639 0.311 RESID 98 (V): H 9.500 9.500 8.023 1.477 RESID 99 (V): N 116.800 116.800 122.221 -5.421 RESID 99 (V): C 174.600 174.600 174.000 0.600 RESID 99 (V): CA 58.190 58.190 58.956 -0.766 RESID 99 (V): CB 36.780 36.780 35.886 0.894 RESID 99 (V): H 9.192 9.192 8.122 1.070 RESID 100 (A): N 123.400 123.400 122.675 0.725 RESID 100 (A): C 179.200 179.200 178.429 0.771 RESID 100 (A): CA 52.690 52.690 50.714 1.976 RESID 100 (A): CB 18.160 18.160 19.783 -1.623 RESID 100 (A): H 9.043 9.043 8.280 0.763 RESID 101 (K): N 119.600 119.600 123.918 -4.318 RESID 101 (K): C 176.800 176.800 177.157 -0.357 RESID 101 (K): CA 59.360 59.360 58.899 0.461 RESID 101 (K): CB 31.380 31.380 32.000 -0.620 RESID 101 (K): H 7.840 7.840 8.908 -1.068 RESID 102 (N): N 114.400 114.400 115.558 -1.158 RESID 102 (N): C 175.500 175.500 175.238 0.262 RESID 102 (N): CA 52.330 52.330 54.633 -2.303 RESID 102 (N): CB 36.990 36.990 38.603 -1.613 RESID 102 (N): H 7.941 7.941 8.193 -0.252 RESID 103 (S): N 114.800 114.800 114.688 0.112 RESID 103 (S): C 176.000 176.000 173.290 2.710 RESID 103 (S): CA 58.180 58.180 57.486 0.694 RESID 103 (S): CB 64.310 64.310 63.885 0.425 RESID 103 (S): H 7.700 7.700 7.593 0.107 RESID 104 (D): N 128.500 128.500 129.305 -0.805 RESID 104 (D): C 176.700 176.700 175.177 1.523 RESID 104 (D): CA 52.990 52.990 54.010 -1.020 RESID 104 (D): CB 40.330 40.330 40.887 -0.557 RESID 104 (D): H 8.548 8.548 8.543 0.005 RESID 105 (I): N 122.800 122.800 124.645 -1.845 RESID 105 (I): C 173.800 173.800 174.610 -0.810 RESID 105 (I): CA 63.580 63.580 60.615 2.965 RESID 105 (I): CB 37.490 37.490 40.434 -2.944 RESID 105 (I): H 7.826 7.826 8.197 -0.371 RESID 106 (Q): N 124.600 124.600 125.083 -0.483 RESID 106 (Q): C 174.700 174.700 173.879 0.821 RESID 106 (Q): CA 51.380 51.380 52.114 -0.734 RESID 106 (Q): CB 31.050 31.050 29.801 1.249 RESID 106 (Q): H 8.174 8.174 8.503 -0.329 RESID 107 (P): C 175.300 175.300 175.794 -0.494 RESID 107 (P): CA 61.880 61.880 63.651 -1.771 RESID 107 (P): CB 26.860 26.860 30.998 -4.138 RESID 108 (T): N 114.600 114.600 117.698 -3.098 RESID 108 (T): C 174.000 174.000 174.396 -0.396 RESID 108 (T): CA 57.690 57.690 61.624 -3.934 RESID 108 (T): CB 71.020 71.020 72.005 -0.985 RESID 108 (T): H 8.531 8.531 7.686 0.845 RESID 109 (V): N 121.800 121.800 123.337 -1.537 RESID 109 (V): C 177.300 177.300 176.941 0.359 RESID 109 (V): CA 65.600 65.600 64.773 0.827 RESID 109 (V): CB 30.580 30.580 32.764 -2.183 RESID 109 (V): H 8.775 8.775 8.486 0.289 RESID 110 (E): N 116.900 116.900 120.800 -3.900 RESID 110 (E): C 178.400 178.400 178.733 -0.333 RESID 110 (E): CA 59.260 59.260 60.148 -0.888 RESID 110 (E): CB 28.170 28.170 29.059 -0.889 RESID 110 (E): H 8.414 8.414 8.407 0.007 RESID 111 (S): N 113.200 113.200 113.307 -0.107 RESID 111 (S): C 176.500 176.500 175.939 0.561 RESID 111 (S): CA 59.370 59.370 60.988 -1.618 RESID 111 (S): CB 63.730 63.730 62.558 1.172 RESID 111 (S): H 7.387 7.387 8.440 -1.053 RESID 112 (L): N 116.100 116.100 120.272 -4.172 RESID 112 (L): C 176.700 176.700 176.664 0.036 RESID 112 (L): CA 54.580 54.580 55.430 -0.850 RESID 112 (L): CB 42.650 42.650 42.571 0.079 RESID 112 (L): H 7.676 7.676 7.328 0.348 RESID 113 (K): N 121.000 121.000 119.170 1.830 RESID 113 (K): C 178.200 178.200 177.498 0.702 RESID 113 (K): CA 58.850 58.850 58.235 0.615 RESID 113 (K): CB 30.850 30.850 32.262 -1.412 RESID 113 (K): H 7.445 7.445 7.719 -0.274 RESID 114 (G): N 113.900 113.900 112.923 0.977 RESID 114 (G): C 174.200 174.200 174.798 -0.598 RESID 114 (G): CA 45.240 45.240 45.336 -0.096 RESID 114 (G): H 8.454 8.454 8.354 0.100 RESID 115 (K): N 120.600 120.600 121.782 -1.182 RESID 115 (K): C 174.800 174.800 176.122 -1.322 RESID 115 (K): CA 53.710 53.710 54.786 -1.076 RESID 115 (K): CB 31.990 31.990 33.265 -1.275 RESID 115 (K): H 8.530 8.530 7.865 0.665 RESID 116 (R): N 119.300 119.300 120.676 -1.376 RESID 116 (R): C 176.000 176.000 175.423 0.577 RESID 116 (R): CA 54.720 54.720 55.880 -1.160 RESID 116 (R): CB 32.310 32.310 31.663 0.647 RESID 116 (R): H 9.455 9.455 8.445 1.010 RESID 117 (V): N 126.100 126.100 123.122 2.978 RESID 117 (V): C 175.300 175.300 175.008 0.292 RESID 117 (V): CA 60.090 60.090 60.381 -0.291 RESID 117 (V): CB 33.620 33.620 35.450 -1.830 RESID 117 (V): H 9.217 9.217 8.545 0.672 RESID 118 (G): N 114.000 114.000 113.454 0.546 RESID 118 (G): C 172.300 172.300 172.633 -0.333 RESID 118 (G): CA 45.010 45.010 43.610 1.400 RESID 118 (G): H 9.367 9.367 8.012 1.355 RESID 119 (V): N 116.400 116.400 122.402 -6.002 RESID 119 (V): C 174.100 174.100 174.036 0.064 RESID 119 (V): CA 58.270 58.270 60.446 -2.176 RESID 119 (V): CB 36.370 36.370 36.986 -0.616 RESID 119 (V): H 9.166 9.166 9.307 -0.141 RESID 120 (L): N 124.400 124.400 124.160 0.240 RESID 120 (L): C 176.900 176.900 175.664 1.236 RESID 120 (L): CA 53.690 53.690 53.967 -0.277 RESID 120 (L): CB 41.240 41.240 42.656 -1.416 RESID 120 (L): H 8.961 8.961 8.820 0.141 RESID 121 (Q): N 128.000 128.000 127.172 0.828 RESID 121 (Q): C 176.900 176.900 177.246 -0.346 RESID 121 (Q): CA 56.680 56.680 57.093 -0.413 RESID 121 (Q): CB 27.920 27.920 29.527 -1.607 RESID 121 (Q): H 9.305 9.305 8.995 0.310 RESID 122 (G): N 113.600 113.600 113.529 0.071 RESID 122 (G): C 175.100 175.100 173.554 1.546 RESID 122 (G): CA 45.240 45.240 45.476 -0.236 RESID 122 (G): H 9.383 9.383 8.751 0.632 RESID 123 (T): N 108.400 108.400 110.092 -1.692 RESID 123 (T): C 176.800 176.800 174.434 2.366 RESID 123 (T): CA 60.260 60.260 59.995 0.265 RESID 123 (T): CB 73.530 73.530 70.657 2.873 RESID 123 (T): H 7.220 7.220 7.730 -0.510 RESID 124 (T): N 113.900 113.900 112.508 1.392 RESID 124 (T): C 178.100 178.100 176.520 1.580 RESID 124 (T): CA 63.990 63.990 64.686 -0.696 RESID 124 (T): CB 67.740 67.740 68.715 -0.975 RESID 124 (T): H 8.934 8.934 8.658 0.276 RESID 125 (Q): N 120.600 120.600 122.397 -1.797 RESID 125 (Q): C 178.300 178.300 178.096 0.204 RESID 125 (Q): CA 61.670 61.670 59.753 1.917 RESID 125 (Q): CB 25.310 25.310 28.049 -2.739 RESID 125 (Q): H 7.521 7.521 8.276 -0.755 RESID 126 (E): N 121.900 121.900 119.798 2.102 RESID 126 (E): C 177.600 177.600 178.899 -1.299 RESID 126 (E): CA 59.630 59.630 59.834 -0.204 RESID 126 (E): CB 28.730 28.730 29.640 -0.910 RESID 126 (E): H 7.717 7.717 7.811 -0.094 RESID 127 (T): N 117.800 117.800 116.227 1.573 RESID 127 (T): C 176.200 176.200 176.362 -0.162 RESID 127 (T): CA 66.340 66.340 66.883 -0.543 RESID 127 (T): CB 67.590 67.590 68.744 -1.154 RESID 127 (T): H 8.175 8.175 7.616 0.559 RESID 128 (F): N 121.900 121.900 121.957 -0.057 RESID 128 (F): C 178.000 178.000 177.536 0.464 RESID 128 (F): CA 61.590 61.590 60.714 0.876 RESID 128 (F): CB 38.810 38.810 38.923 -0.113 RESID 128 (F): H 8.882 8.882 8.597 0.285 RESID 129 (G): N 107.000 107.000 107.124 -0.124 RESID 129 (G): C 176.100 176.100 176.490 -0.390 RESID 129 (G): CA 46.690 46.690 47.217 -0.527 RESID 129 (G): H 8.900 8.900 9.157 -0.257 RESID 130 (N): N 123.000 123.000 118.448 4.552 RESID 130 (N): C 176.200 176.200 175.828 0.372 RESID 130 (N): CA 55.400 55.400 55.334 0.066 RESID 130 (N): CB 37.570 37.570 38.197 -0.627 RESID 130 (N): H 8.915 8.915 8.567 0.348 RESID 131 (E): N 119.000 119.000 116.720 2.280 RESID 131 (E): C 177.900 177.900 177.093 0.807 RESID 131 (E): CA 57.940 57.940 56.706 1.234 RESID 131 (E): CB 29.350 29.350 30.768 -1.418 RESID 131 (E): H 7.907 7.907 7.488 0.419 RESID 132 (H): N 112.600 112.600 118.618 -6.018 RESID 132 (H): C 175.900 175.900 175.542 0.358 RESID 132 (H): CA 56.910 56.910 58.771 -1.861 RESID 132 (H): CB 30.510 30.510 29.801 0.709 RESID 132 (H): H 7.877 7.877 7.888 -0.011 RESID 133 (W): N 119.300 119.300 117.423 1.877 RESID 133 (W): C 176.800 176.800 176.190 0.610 RESID 133 (W): CA 55.570 55.570 56.549 -0.979 RESID 133 (W): CB 30.400 30.400 29.764 0.636 RESID 133 (W): H 7.653 7.653 7.492 0.161 RESID 134 (A): N 125.400 125.400 124.636 0.764 RESID 134 (A): C 177.700 177.700 177.217 0.483 RESID 134 (A): CA 55.410 55.410 54.660 0.750 RESID 134 (A): CB 15.990 15.990 16.800 -0.810 RESID 134 (A): H 8.711 8.711 7.533 1.178 RESID 135 (P): C 177.200 177.200 177.232 -0.032 RESID 135 (P): CA 64.510 64.510 64.563 -0.053 RESID 135 (P): CB 30.800 30.800 30.983 -0.183 RESID 136 (K): N 115.800 115.800 116.466 -0.666 RESID 136 (K): C 176.500 176.500 177.546 -1.046 RESID 136 (K): CA 53.530 53.530 55.892 -2.362 RESID 136 (K): CB 31.430 31.430 31.877 -0.447 RESID 136 (K): H 7.665 7.665 8.099 -0.434 RESID 137 (G): N 106.100 106.100 108.336 -2.236 RESID 137 (G): C 174.300 174.300 173.529 0.771 RESID 137 (G): CA 45.740 45.740 45.373 0.367 RESID 137 (G): H 7.864 7.864 7.666 0.198 RESID 138 (I): N 124.400 124.400 119.377 5.023 RESID 138 (I): C 174.400 174.400 174.797 -0.397 RESID 138 (I): CA 60.460 60.460 60.121 0.339 RESID 138 (I): CB 38.080 38.080 39.818 -1.738 RESID 138 (I): H 6.889 6.889 7.484 -0.595 RESID 139 (E): N 128.400 128.400 127.310 1.090 RESID 139 (E): C 173.900 173.900 175.103 -1.203 RESID 139 (E): CA 56.050 56.050 55.624 0.426 RESID 139 (E): CB 29.490 29.490 31.204 -1.714 RESID 139 (E): H 8.230 8.230 8.344 -0.114 RESID 140 (I): N 129.500 129.500 121.646 7.854 RESID 140 (I): C 176.100 176.100 174.770 1.330 RESID 140 (I): CA 57.100 57.100 59.029 -1.929 RESID 140 (I): CB 34.440 34.440 40.592 -6.152 RESID 140 (I): H 8.642 8.642 8.353 0.289 RESID 141 (V): N 133.000 133.000 125.246 7.754 RESID 141 (V): C 174.400 174.400 174.516 -0.116 RESID 141 (V): CA 61.060 61.060 61.151 -0.091 RESID 141 (V): CB 32.410 32.410 36.186 -3.776 RESID 141 (V): H 9.387 9.387 8.943 0.444 RESID 142 (S): N 122.900 122.900 120.131 2.769 RESID 142 (S): C 175.000 175.000 173.530 1.470 RESID 142 (S): CA 57.710 57.710 57.349 0.361 RESID 142 (S): CB 63.710 63.710 63.713 -0.003 RESID 142 (S): H 8.490 8.490 8.395 0.095 RESID 143 (Y): N 123.400 123.400 126.113 -2.713 RESID 143 (Y): C 175.900 175.900 176.377 -0.477 RESID 143 (Y): CA 57.300 57.300 57.721 -0.421 RESID 143 (Y): CB 42.300 42.300 41.324 0.976 RESID 143 (Y): H 8.979 8.979 9.269 -0.290 RESID 144 (Q): N 119.500 119.500 120.116 -0.616 RESID 144 (Q): C 176.000 176.000 174.897 1.103 RESID 144 (Q): CA 56.490 56.490 55.903 0.587 RESID 144 (Q): CB 28.470 28.470 29.852 -1.382 RESID 144 (Q): H 8.974 8.974 8.742 0.232 RESID 145 (G): N 106.800 106.800 107.337 -0.537 RESID 145 (G): C 173.500 173.500 174.161 -0.661 RESID 145 (G): CA 44.300 44.300 44.330 -0.030 RESID 145 (G): H 7.531 7.531 7.863 -0.332 RESID 146 (Q): N 124.300 124.300 122.910 1.390 RESID 146 (Q): C 177.200 177.200 177.345 -0.145 RESID 146 (Q): CA 57.800 57.800 58.815 -1.015 RESID 146 (Q): CB 28.190 28.190 28.635 -0.445 RESID 146 (Q): H 8.949 8.949 8.864 0.085 RESID 147 (D): N 117.900 117.900 118.415 -0.515 RESID 147 (D): C 178.900 178.900 178.472 0.428 RESID 147 (D): CA 56.650 56.650 56.850 -0.200 RESID 147 (D): CB 38.890 38.890 39.746 -0.856 RESID 147 (D): H 8.746 8.746 8.783 -0.037 RESID 148 (N): N 117.500 117.500 117.821 -0.321 RESID 148 (N): C 176.700 176.700 177.343 -0.643 RESID 148 (N): CA 55.160 55.160 55.623 -0.464 RESID 148 (N): CB 38.700 38.700 38.105 0.595 RESID 148 (N): H 7.496 7.496 8.560 -1.065 RESID 149 (I): N 120.000 120.000 119.838 0.162 RESID 149 (I): C 177.400 177.400 177.530 -0.130 RESID 149 (I): CA 64.450 64.450 65.022 -0.572 RESID 149 (I): CB 35.900 35.900 37.566 -1.666 RESID 149 (I): H 6.793 6.793 7.171 -0.378 RESID 150 (Y): N 117.400 117.400 118.198 -0.798 RESID 150 (Y): C 178.800 178.800 178.048 0.752 RESID 150 (Y): CA 59.730 59.730 61.640 -1.910 RESID 150 (Y): CB 35.970 35.970 37.658 -1.688 RESID 150 (Y): H 6.897 6.897 7.387 -0.490 RESID 151 (S): N 117.000 117.000 114.957 2.043 RESID 151 (S): C 177.000 177.000 177.027 -0.027 RESID 151 (S): CA 61.300 61.300 61.691 -0.391 RESID 151 (S): CB 62.100 62.100 62.224 -0.124 RESID 151 (S): H 8.186 8.186 8.269 -0.083 RESID 152 (D): N 122.300 122.300 123.157 -0.857 RESID 152 (D): C 179.000 179.000 178.306 0.694 RESID 152 (D): CA 56.580 56.580 56.834 -0.254 RESID 152 (D): CB 38.240 38.240 40.399 -2.159 RESID 152 (D): H 7.541 7.541 7.711 -0.170 RESID 153 (L): N 124.100 124.100 121.261 2.839 RESID 153 (L): C 180.300 180.300 178.501 1.799 RESID 153 (L): CA 58.160 58.160 57.553 0.607 RESID 153 (L): CB 41.630 41.630 41.825 -0.195 RESID 153 (L): H 8.372 8.372 7.780 0.592 RESID 154 (T): N 111.900 111.900 113.260 -1.360 RESID 154 (T): C 176.700 176.700 175.397 1.303 RESID 154 (T): CA 63.920 63.920 65.469 -1.549 RESID 154 (T): CB 68.700 68.700 68.972 -0.272 RESID 154 (T): H 8.389 8.389 8.298 0.091 RESID 155 (A): N 121.800 121.800 120.194 1.606 RESID 155 (A): C 178.200 178.200 178.069 0.131 RESID 155 (A): CA 51.640 51.640 52.331 -0.691 RESID 155 (A): CB 18.990 18.990 19.405 -0.415 RESID 155 (A): H 7.444 7.444 7.077 0.367 RESID 156 (G): N 107.800 107.800 107.140 0.660 RESID 156 (G): C 175.100 175.100 175.366 -0.266 RESID 156 (G): CA 45.420 45.420 45.184 0.236 RESID 156 (G): H 7.921 7.921 7.980 -0.059 RESID 157 (R): N 119.000 119.000 119.197 -0.197 RESID 157 (R): C 176.600 176.600 175.723 0.877 RESID 157 (R): CA 57.260 57.260 57.583 -0.323 RESID 157 (R): CB 30.400 30.400 30.755 -0.355 RESID 157 (R): H 8.443 8.443 8.081 0.362 RESID 158 (I): N 108.900 108.900 112.972 -4.072 RESID 158 (I): C 173.700 173.700 174.309 -0.609 RESID 158 (I): CA 59.900 59.900 59.223 0.677 RESID 158 (I): CB 40.070 40.070 40.982 -0.912 RESID 158 (I): H 7.109 7.109 7.127 -0.018 RESID 159 (D): N 119.100 119.100 123.956 -4.856 RESID 159 (D): C 174.700 174.700 175.657 -0.957 RESID 159 (D): CA 55.900 55.900 56.324 -0.424 RESID 159 (D): CB 43.630 43.630 41.696 1.935 RESID 159 (D): H 8.737 8.737 8.479 0.258 RESID 160 (A): N 116.400 116.400 116.443 -0.043 RESID 160 (A): C 174.900 174.900 174.322 0.578 RESID 160 (A): CA 50.190 50.190 51.482 -1.292 RESID 160 (A): CB 23.030 23.030 21.362 1.668 RESID 160 (A): H 7.702 7.702 7.165 0.537 RESID 161 (A): N 123.400 123.400 121.793 1.607 RESID 161 (A): C 175.500 175.500 175.658 -0.158 RESID 161 (A): CA 49.730 49.730 50.301 -0.571 RESID 161 (A): CB 21.110 21.110 21.595 -0.485 RESID 161 (A): H 8.915 8.915 7.985 0.930 RESID 162 (F): N 125.100 125.100 122.621 2.479 RESID 162 (F): C 172.900 172.900 175.017 -2.117 RESID 162 (F): CA 54.500 54.500 58.211 -3.711 RESID 162 (F): CB 39.400 39.400 38.818 0.582 RESID 162 (F): H 8.971 8.971 8.486 0.485 RESID 163 (Q): N 124.600 124.600 123.384 1.216 RESID 163 (Q): C 173.400 173.400 173.708 -0.308 RESID 163 (Q): CA 53.550 53.550 53.640 -0.090 RESID 163 (Q): CB 34.390 34.390 33.132 1.258 RESID 163 (Q): H 7.904 7.904 8.305 -0.401 RESID 164 (D): N 122.300 122.300 121.186 1.114 RESID 164 (D): C 175.800 175.800 177.264 -1.464 RESID 164 (D): CA 55.540 55.540 54.495 1.045 RESID 164 (D): CB 42.370 42.370 42.071 0.299 RESID 164 (D): H 8.304 8.304 8.452 -0.148 RESID 165 (E): N 128.600 128.600 122.738 5.862 RESID 165 (E): C 177.700 177.700 178.140 -0.440 RESID 165 (E): CA 60.230 60.230 60.139 0.091 RESID 165 (E): CB 30.020 30.020 29.846 0.174 RESID 165 (E): H 8.605 8.605 8.778 -0.173 RESID 166 (V): N 120.100 120.100 118.894 1.206 RESID 166 (V): C 178.300 178.300 177.306 0.994 RESID 166 (V): CA 66.800 66.800 66.720 0.080 RESID 166 (V): CB 30.070 30.070 30.307 -0.237 RESID 166 (V): H 8.748 8.748 8.230 0.518 RESID 167 (A): N 123.200 123.200 120.048 3.152 RESID 167 (A): C 182.500 182.500 179.097 3.403 RESID 167 (A): CA 54.980 54.980 54.723 0.257 RESID 167 (A): CB 17.910 17.910 18.054 -0.144 RESID 167 (A): H 8.655 8.655 7.971 0.684 RESID 168 (A): N 121.300 121.300 122.148 -0.848 RESID 168 (A): C 179.800 179.800 179.716 0.084 RESID 168 (A): CA 54.180 54.180 54.546 -0.366 RESID 168 (A): CB 18.750 18.750 18.436 0.314 RESID 168 (A): H 8.349 8.349 7.877 0.472 RESID 169 (S): N 113.400 113.400 114.426 -1.026 RESID 169 (S): C 175.700 175.700 176.169 -0.469 RESID 169 (S): CA 61.050 61.050 62.563 -1.513 RESID 169 (S): CB 63.050 63.050 62.659 0.391 RESID 169 (S): H 8.058 8.058 8.146 -0.088 RESID 170 (E): N 115.600 115.600 120.449 -4.849 RESID 170 (E): C 178.800 178.800 177.428 1.372 RESID 170 (E): CA 57.610 57.610 58.116 -0.506 RESID 170 (E): CB 29.790 29.790 29.046 0.744 RESID 170 (E): H 8.824 8.824 7.851 0.973 RESID 171 (G): N 103.400 103.400 104.951 -1.551 RESID 171 (G): C 173.700 173.700 175.051 -1.351 RESID 171 (G): CA 44.970 44.970 45.278 -0.308 RESID 171 (G): H 8.154 8.154 7.315 0.839 RESID 172 (F): N 120.100 120.100 122.520 -2.420 RESID 172 (F): C 175.200 175.200 177.714 -2.514 RESID 172 (F): CA 60.690 60.690 61.141 -0.451 RESID 172 (F): CB 40.740 40.740 39.087 1.653 RESID 172 (F): H 7.297 7.297 8.343 -1.046 RESID 173 (L): N 117.800 117.800 117.822 -0.022 RESID 173 (L): C 179.000 179.000 178.317 0.683 RESID 173 (L): CA 57.670 57.670 56.872 0.798 RESID 173 (L): CB 40.020 40.020 41.844 -1.824 RESID 173 (L): H 8.470 8.470 7.521 0.949 RESID 174 (K): N 114.600 114.600 116.403 -1.803 RESID 174 (K): C 176.900 176.900 176.440 0.460 RESID 174 (K): CA 56.450 56.450 57.322 -0.872 RESID 174 (K): CB 31.770 31.770 32.655 -0.885 RESID 174 (K): H 8.018 8.018 7.609 0.409 RESID 175 (Q): N 118.800 118.800 116.786 2.014 RESID 175 (Q): C 176.000 176.000 174.008 1.992 RESID 175 (Q): CA 52.510 52.510 52.280 0.230 RESID 175 (Q): CB 26.740 26.740 29.849 -3.109 RESID 175 (Q): H 7.151 7.151 7.275 -0.124 RESID 176 (P): C 179.300 179.300 177.482 1.818 RESID 176 (P): CA 66.100 66.100 65.380 0.720 RESID 176 (P): CB 30.720 30.720 31.603 -0.883 RESID 177 (V): N 112.300 112.300 116.962 -4.662 RESID 177 (V): C 175.900 175.900 177.963 -2.063 RESID 177 (V): CA 62.860 62.860 66.086 -3.226 RESID 177 (V): CB 30.660 30.660 30.646 0.014 RESID 177 (V): H 7.480 7.480 7.813 -0.333 RESID 178 (G): N 109.700 109.700 105.583 4.117 RESID 178 (G): C 175.000 175.000 174.841 0.159 RESID 178 (G): CA 44.080 44.080 46.133 -2.053 RESID 178 (G): H 7.173 7.173 7.569 -0.396 RESID 179 (K): N 120.900 120.900 119.148 1.752 RESID 179 (K): C 177.100 177.100 177.629 -0.529 RESID 179 (K): CA 58.360 58.360 58.453 -0.093 RESID 179 (K): CB 31.260 31.260 32.310 -1.050 RESID 179 (K): H 6.972 6.972 7.230 -0.258 RESID 180 (D): N 117.200 117.200 117.040 0.160 RESID 180 (D): C 173.900 173.900 175.805 -1.905 RESID 180 (D): CA 53.920 53.920 55.840 -1.920 RESID 180 (D): CB 39.690 39.690 41.265 -1.575 RESID 180 (D): H 8.036 8.036 7.544 0.492 RESID 181 (Y): N 120.500 120.500 114.979 5.521 RESID 181 (Y): C 172.300 172.300 173.456 -1.156 RESID 181 (Y): CA 57.890 57.890 57.701 0.189 RESID 181 (Y): CB 41.860 41.860 42.288 -0.428 RESID 181 (Y): H 7.768 7.768 7.379 0.389 RESID 182 (K): N 116.900 116.900 118.671 -1.771 RESID 182 (K): C 174.900 174.900 174.277 0.623 RESID 182 (K): CA 54.330 54.330 56.465 -2.135 RESID 182 (K): CB 35.610 35.610 33.320 2.290 RESID 182 (K): H 9.497 9.497 8.849 0.648 RESID 183 (F): N 117.900 117.900 122.205 -4.305 RESID 183 (F): C 177.800 177.800 174.960 2.840 RESID 183 (F): CA 56.780 56.780 58.102 -1.322 RESID 183 (F): CB 38.320 38.320 42.853 -4.533 RESID 183 (F): H 8.470 8.470 7.863 0.607 RESID 184 (G): N 113.700 113.700 109.394 4.306 RESID 184 (G): C 173.300 173.300 174.702 -1.402 RESID 184 (G): CA 46.900 46.900 45.012 1.888 RESID 184 (G): H 9.107 9.107 8.843 0.264 RESID 185 (G): N 111.000 111.000 110.231 0.769 RESID 185 (G): C 171.100 171.100 172.910 -1.810 RESID 185 (G): CA 44.530 44.530 45.563 -1.033 RESID 185 (G): H 7.702 7.702 8.478 -0.776 RESID 186 (P): C 175.500 175.500 176.196 -0.696 RESID 186 (P): CA 61.920 61.920 64.455 -2.535 RESID 186 (P): CB 32.640 32.640 31.865 0.775 RESID 187 (S): N 113.500 113.500 119.506 -6.006 RESID 187 (S): C 173.500 173.500 173.862 -0.362 RESID 187 (S): CA 57.930 57.930 57.295 0.635 RESID 187 (S): CB 63.260 63.260 65.781 -2.521 RESID 187 (S): H 8.452 8.452 8.318 0.134 RESID 188 (V): N 123.300 123.300 121.673 1.627 RESID 188 (V): C 173.900 173.900 173.502 0.398 RESID 188 (V): CA 61.800 61.800 62.087 -0.287 RESID 188 (V): CB 32.680 32.680 33.440 -0.760 RESID 188 (V): H 9.080 9.080 7.888 1.192 RESID 189 (K): N 125.200 125.200 122.011 3.189 RESID 189 (K): C 176.700 176.700 173.936 2.764 RESID 189 (K): CA 54.680 54.680 56.158 -1.478 RESID 189 (K): CB 33.780 33.780 34.842 -1.062 RESID 189 (K): H 8.123 8.123 8.215 -0.092 RESID 190 (D): N 120.300 120.300 122.099 -1.799 RESID 190 (D): C 175.300 175.300 176.885 -1.585 RESID 190 (D): CA 55.610 55.610 53.446 2.164 RESID 190 (D): CB 42.620 42.620 40.409 2.211 RESID 190 (D): H 8.823 8.823 8.296 0.527 RESID 191 (E): N 129.100 129.100 126.605 2.495 RESID 191 (E): C 177.300 177.300 177.551 -0.251 RESID 191 (E): CA 59.310 59.310 58.485 0.825 RESID 191 (E): CB 28.420 28.420 29.530 -1.110 RESID 191 (E): H 9.239 9.239 8.840 0.399 RESID 192 (K): N 118.000 118.000 119.273 -1.273 RESID 192 (K): C 178.200 178.200 178.107 0.093 RESID 192 (K): CA 58.140 58.140 58.924 -0.784 RESID 192 (K): CB 31.690 31.690 32.145 -0.455 RESID 192 (K): H 7.918 7.918 8.752 -0.834 RESID 193 (L): N 118.200 118.200 118.066 0.134 RESID 193 (L): C 177.700 177.700 177.692 0.008 RESID 193 (L): CA 55.790 55.790 56.985 -1.195 RESID 193 (L): CB 42.330 42.330 42.054 0.276 RESID 193 (L): H 8.362 8.362 7.132 1.230 RESID 194 (F): N 116.800 116.800 113.454 3.346 RESID 194 (F): C 178.200 178.200 175.837 2.363 RESID 194 (F): CA 54.620 54.620 57.301 -2.681 RESID 194 (F): CB 37.390 37.390 39.719 -2.329 RESID 194 (F): H 8.036 8.036 7.300 0.736 RESID 195 (G): N 106.900 106.900 108.868 -1.968 RESID 195 (G): C 174.200 174.200 173.883 0.317 RESID 195 (G): CA 44.120 44.120 45.028 -0.908 RESID 195 (G): H 7.510 7.510 7.680 -0.170 RESID 196 (V): N 112.400 112.400 123.607 -11.207 RESID 196 (V): C 175.300 175.300 175.985 -0.685 RESID 196 (V): CA 60.720 60.720 64.242 -3.522 RESID 196 (V): CB 30.630 30.630 32.172 -1.542 RESID 196 (V): H 8.064 8.064 8.292 -0.228 RESID 197 (G): N 108.100 108.100 105.441 2.659 RESID 197 (G): C 172.300 172.300 171.964 0.336 RESID 197 (G): CA 43.210 43.210 45.347 -2.137 RESID 197 (G): H 7.788 7.788 7.287 0.501 RESID 198 (T): N 109.200 109.200 113.623 -4.423 RESID 198 (T): C 172.800 172.800 173.463 -0.663 RESID 198 (T): CA 59.090 59.090 59.561 -0.471 RESID 198 (T): CB 71.080 71.080 71.496 -0.416 RESID 198 (T): H 7.796 7.796 7.856 -0.060 RESID 199 (G): N 103.900 103.900 108.650 -4.750 RESID 199 (G): C 171.800 171.800 172.665 -0.865 RESID 199 (G): CA 43.840 43.840 45.343 -1.502 RESID 199 (G): H 7.928 7.928 7.770 0.158 RESID 200 (M): N 121.400 121.400 119.859 1.541 RESID 200 (M): C 176.200 176.200 175.990 0.210 RESID 200 (M): CA 55.260 55.260 55.262 -0.002 RESID 200 (M): CB 33.390 33.390 34.983 -1.593 RESID 200 (M): H 7.971 7.971 8.498 -0.527 RESID 201 (G): N 112.200 112.200 110.712 1.488 RESID 201 (G): C 172.000 172.000 172.786 -0.786 RESID 201 (G): CA 44.540 44.540 44.426 0.114 RESID 201 (G): H 8.818 8.818 8.324 0.494 RESID 202 (L): N 124.700 124.700 124.790 -0.090 RESID 202 (L): C 176.000 176.000 175.881 0.119 RESID 202 (L): CA 53.740 53.740 52.828 0.912 RESID 202 (L): CB 46.010 46.010 46.129 -0.119 RESID 202 (L): H 8.767 8.767 8.608 0.159 RESID 203 (R): N 121.600 121.600 120.186 1.414 RESID 203 (R): C 180.400 180.400 177.906 2.494 RESID 203 (R): CA 57.130 57.130 55.493 1.637 RESID 203 (R): CB 29.650 29.650 31.307 -1.657 RESID 203 (R): H 10.270 10.270 8.265 2.005 RESID 204 (K): N 123.200 123.200 124.630 -1.430 RESID 204 (K): C 178.200 178.200 177.540 0.660 RESID 204 (K): CA 59.570 59.570 59.721 -0.151 RESID 204 (K): CB 31.840 31.840 32.071 -0.231 RESID 204 (K): H 9.231 9.231 8.663 0.568 RESID 205 (E): N 113.800 113.800 117.220 -3.420 RESID 205 (E): C 177.700 177.700 177.944 -0.244 RESID 205 (E): CA 57.230 57.230 58.278 -1.048 RESID 205 (E): CB 27.770 27.770 28.924 -1.154 RESID 205 (E): H 9.026 9.026 8.219 0.807 RESID 206 (D): N 126.000 126.000 120.788 5.212 RESID 206 (D): C 177.300 177.300 176.519 0.781 RESID 206 (D): CA 53.710 53.710 53.684 0.026 RESID 206 (D): CB 37.530 37.530 38.693 -1.163 RESID 206 (D): H 7.253 7.253 8.030 -0.777 RESID 207 (N): N 120.100 120.100 120.412 -0.312 RESID 207 (N): C 176.900 176.900 177.017 -0.117 RESID 207 (N): CA 56.950 56.950 56.419 0.531 RESID 207 (N): CB 38.820 38.820 38.896 -0.076 RESID 207 (N): H 7.839 7.839 8.731 -0.892 RESID 208 (E): N 120.500 120.500 118.544 1.956 RESID 208 (E): C 179.900 179.900 178.366 1.534 RESID 208 (E): CA 59.870 59.870 58.931 0.939 RESID 208 (E): CB 27.630 27.630 29.411 -1.781 RESID 208 (E): H 8.776 8.776 8.392 0.384 RESID 209 (L): N 122.900 122.900 120.512 2.388 RESID 209 (L): C 177.100 177.100 178.231 -1.131 RESID 209 (L): CA 57.400 57.400 57.369 0.031 RESID 209 (L): CB 40.660 40.660 41.816 -1.156 RESID 209 (L): H 8.366 8.366 7.788 0.578 RESID 210 (R): N 119.100 119.100 118.798 0.302 RESID 210 (R): C 177.400 177.400 178.174 -0.774 RESID 210 (R): CA 59.970 59.970 59.780 0.190 RESID 210 (R): CB 30.110 30.110 30.022 0.088 RESID 210 (R): H 7.582 7.582 8.358 -0.776 RESID 211 (E): N 116.200 116.200 119.237 -3.037 RESID 211 (E): C 179.800 179.800 178.530 1.270 RESID 211 (E): CA 59.150 59.150 59.263 -0.113 RESID 211 (E): CB 28.600 28.600 29.572 -0.972 RESID 211 (E): H 8.407 8.407 7.883 0.524 RESID 212 (A): N 123.500 123.500 122.677 0.823 RESID 212 (A): C 181.300 181.300 179.638 1.662 RESID 212 (A): CA 54.810 54.810 54.715 0.095 RESID 212 (A): CB 17.170 17.170 18.143 -0.973 RESID 212 (A): H 8.128 8.128 7.577 0.551 RESID 213 (L): N 121.200 121.200 119.697 1.503 RESID 213 (L): C 178.400 178.400 179.651 -1.251 RESID 213 (L): CA 57.710 57.710 58.148 -0.438 RESID 213 (L): CB 41.450 41.450 41.113 0.337 RESID 213 (L): H 8.364 8.364 8.089 0.275 RESID 214 (N): N 119.200 119.200 116.356 2.844 RESID 214 (N): C 179.700 179.700 177.839 1.861 RESID 214 (N): CA 55.260 55.260 55.863 -0.603 RESID 214 (N): CB 37.120 37.120 37.939 -0.819 RESID 214 (N): H 8.435 8.435 8.396 0.039 RESID 215 (K): N 123.800 123.800 121.355 2.445 RESID 215 (K): C 178.400 178.400 178.518 -0.118 RESID 215 (K): CA 59.090 59.090 59.389 -0.299 RESID 215 (K): CB 31.740 31.740 32.485 -0.745 RESID 215 (K): H 8.080 8.080 8.427 -0.347 RESID 216 (A): N 122.200 122.200 121.749 0.451 RESID 216 (A): C 179.500 179.500 179.502 -0.002 RESID 216 (A): CA 54.140 54.140 54.873 -0.733 RESID 216 (A): CB 18.700 18.700 18.276 0.424 RESID 216 (A): H 7.935 7.935 8.330 -0.395 RESID 217 (F): N 119.500 119.500 120.147 -0.647 RESID 217 (F): C 177.200 177.200 176.979 0.221 RESID 217 (F): CA 61.390 61.390 60.316 1.074 RESID 217 (F): CB 38.000 38.000 39.068 -1.068 RESID 217 (F): H 8.916 8.916 8.302 0.614 RESID 218 (A): N 121.300 121.300 121.214 0.086 RESID 218 (A): C 182.100 182.100 179.676 2.424 RESID 218 (A): CA 54.810 54.810 55.210 -0.400 RESID 218 (A): CB 16.650 16.650 17.992 -1.342 RESID 218 (A): H 7.956 7.956 8.151 -0.195 RESID 219 (E): N 120.000 120.000 119.029 0.971 RESID 219 (E): C 178.600 178.600 179.013 -0.413 RESID 219 (E): CA 59.040 59.040 59.308 -0.268 RESID 219 (E): CB 28.320 28.320 29.485 -1.165 RESID 219 (E): H 7.952 7.952 7.844 0.108 RESID 220 (M): N 120.900 120.900 118.227 2.673 RESID 220 (M): C 179.000 179.000 178.604 0.396 RESID 220 (M): CA 57.430 57.430 59.548 -2.118 RESID 220 (M): CB 32.620 32.620 32.439 0.181 RESID 220 (M): H 8.190 8.190 8.172 0.018 RESID 221 (R): N 119.200 119.200 118.391 0.809 RESID 221 (R): C 179.300 179.300 178.890 0.410 RESID 221 (R): CA 58.710 58.710 58.934 -0.224 RESID 221 (R): CB 27.480 27.480 29.868 -2.388 RESID 221 (R): H 7.762 7.762 7.524 0.238 RESID 222 (A): N 122.500 122.500 122.086 0.414 RESID 222 (A): C 179.300 179.300 178.911 0.389 RESID 222 (A): CA 54.180 54.180 54.617 -0.437 RESID 222 (A): CB 18.030 18.030 18.562 -0.532 RESID 222 (A): H 7.838 7.838 7.747 0.091 RESID 223 (D): N 115.100 115.100 114.592 0.508 RESID 223 (D): C 177.900 177.900 177.255 0.645 RESID 223 (D): CA 53.020 53.020 53.113 -0.093 RESID 223 (D): CB 39.570 39.570 40.359 -0.789 RESID 223 (D): H 8.091 8.091 7.980 0.111 RESID 224 (G): N 106.700 106.700 108.983 -2.283 RESID 224 (G): C 176.000 176.000 175.986 0.014 RESID 224 (G): CA 45.070 45.070 46.379 -1.309 RESID 224 (G): H 7.199 7.199 7.602 -0.403 RESID 225 (T): N 122.400 122.400 117.124 5.276 RESID 225 (T): C 175.700 175.700 175.348 0.352 RESID 225 (T): CA 67.610 67.610 67.821 -0.211 RESID 225 (T): CB 66.840 66.840 68.757 -1.917 RESID 225 (T): H 9.095 9.095 8.730 0.365 RESID 226 (Y): N 121.500 121.500 121.711 -0.211 RESID 226 (Y): C 176.000 176.000 176.919 -0.919 RESID 226 (Y): CA 62.530 62.530 62.271 0.259 RESID 226 (Y): CB 38.410 38.410 38.322 0.088 RESID 226 (Y): H 8.040 8.040 7.658 0.382 RESID 227 (E): N 118.200 118.200 118.694 -0.494 RESID 227 (E): C 178.200 178.200 178.694 -0.494 RESID 227 (E): CA 58.940 58.940 59.476 -0.536 RESID 227 (E): CB 28.810 28.810 29.127 -0.317 RESID 227 (E): H 8.153 8.153 8.596 -0.443 RESID 228 (K): N 119.100 119.100 120.399 -1.299 RESID 228 (K): C 179.500 179.500 179.059 0.441 RESID 228 (K): CA 59.260 59.260 59.487 -0.227 RESID 228 (K): CB 31.520 31.520 32.418 -0.898 RESID 228 (K): H 7.558 7.558 8.377 -0.819 RESID 229 (L): N 119.100 119.100 119.375 -0.275 RESID 229 (L): C 179.300 179.300 178.800 0.500 RESID 229 (L): CA 56.970 56.970 57.707 -0.737 RESID 229 (L): CB 41.520 41.520 41.878 -0.358 RESID 229 (L): H 8.055 8.055 8.082 -0.027 RESID 230 (A): N 121.200 121.200 122.131 -0.931 RESID 230 (A): C 180.500 180.500 179.227 1.273 RESID 230 (A): CA 54.890 54.890 55.523 -0.633 RESID 230 (A): CB 17.570 17.570 17.714 -0.144 RESID 230 (A): H 8.901 8.901 8.320 0.581 RESID 231 (K): N 117.200 117.200 117.931 -0.731 RESID 231 (K): C 177.700 177.700 178.129 -0.429 RESID 231 (K): CA 57.370 57.370 58.759 -1.389 RESID 231 (K): CB 31.330 31.330 32.350 -1.020 RESID 231 (K): H 8.062 8.062 8.057 0.005 RESID 232 (K): N 117.600 117.600 116.738 0.862 RESID 232 (K): C 176.800 176.800 179.171 -2.371 RESID 232 (K): CA 57.890 57.890 58.627 -0.737 RESID 232 (K): CB 31.150 31.150 32.547 -1.397 RESID 232 (K): H 7.053 7.053 7.428 -0.375 RESID 233 (Y): N 114.000 114.000 117.018 -3.018 RESID 233 (Y): C 175.100 175.100 175.754 -0.654 RESID 233 (Y): CA 58.110 58.110 61.177 -3.067 RESID 233 (Y): CB 39.360 39.360 38.843 0.517 RESID 233 (Y): H 7.013 7.013 7.995 -0.982 RESID 234 (F): N 116.400 116.400 113.415 2.985 RESID 234 (F): C 175.800 175.800 173.434 2.366 RESID 234 (F): CA 54.920 54.920 56.715 -1.794 RESID 234 (F): CB 41.260 41.260 42.783 -1.523 RESID 234 (F): H 8.038 8.038 8.152 -0.114 RESID 235 (D): N 123.000 123.000 120.720 2.280 RESID 235 (D): C 174.500 174.500 175.089 -0.589 RESID 235 (D): CA 52.680 52.680 53.426 -0.746 RESID 235 (D): CB 39.860 39.860 39.693 0.167 RESID 235 (D): H 8.879 8.879 8.628 0.251 RESID 236 (F): N 115.500 115.500 122.014 -6.514 RESID 236 (F): C 173.600 173.600 173.578 0.022 RESID 236 (F): CA 53.950 53.950 56.252 -2.302 RESID 236 (F): CB 39.860 39.860 39.830 0.030 RESID 236 (F): H 6.793 6.793 7.435 -0.642 RESID 237 (D): N 119.700 119.700 121.985 -2.285 RESID 237 (D): C 175.800 175.800 177.088 -1.288 RESID 237 (D): CA 52.980 52.980 52.572 0.408 RESID 237 (D): CB 39.210 39.210 41.883 -2.673 RESID 237 (D): H 8.831 8.831 8.660 0.171 RESID 238 (V): N 129.900 129.900 122.593 7.307 RESID 238 (V): C 175.200 175.200 176.709 -1.509 RESID 238 (V): CA 61.840 61.840 65.100 -3.260 RESID 238 (V): CB 32.500 32.500 31.832 0.668 RESID 238 (V): H 7.376 7.376 8.406 -1.030 RESID 239 (Y): N 123.500 123.500 118.123 5.377 RESID 239 (Y): C 176.500 176.500 178.663 -2.163 RESID 239 (Y): CA 61.920 61.920 60.817 1.103 RESID 239 (Y): CB 38.010 38.010 37.871 0.139 RESID 239 (Y): H 8.314 8.314 8.421 -0.107 RESID 240 (G): N 104.100 104.100 104.493 -0.393 RESID 240 (G): C 174.600 174.600 174.859 -0.259 RESID 240 (G): CA 45.930 45.930 45.419 0.511 RESID 240 (G): H 7.428 7.428 7.928 -0.500 N HA C CA CB H RESID 6 (P): ----- ----- -0.703 -0.623 -0.727 ----- RESID 7 (Q): 0.482 ----- -0.400 -0.907 -0.493 -0.333 RESID 8 (N): 1.531 ----- -0.531 -0.609 -0.822 -0.342 RESID 9 (I): -2.454 ----- -0.155 -0.734 0.138 -0.725 RESID 10 (R): -1.284 ----- 0.750 -1.780 -0.259 0.401 RESID 11 (I): 3.322 ----- 0.341 0.101 -4.017 0.279 RESID 12 (G): 0.491 ----- -1.275 0.257 ----- 0.775 RESID 13 (T): -1.000 ----- 8.563 -0.594 -1.834 0.622 RESID 14 (D): -0.741 ----- 2.759 -0.553 -1.722 -0.493 RESID 15 (P): ----- ----- -1.050 -1.406 -4.507 ----- RESID 16 (T): 5.523 ----- 0.768 -2.448 -1.172 0.471 RESID 17 (Y): 3.907 ----- -0.459 -1.905 0.278 0.899 RESID 18 (A): 2.425 ----- -0.455 -4.581 -0.181 0.018 RESID 19 (P): ----- ----- -4.304 -2.357 0.205 ----- RESID 20 (F): 7.755 ----- 1.586 2.719 -3.065 -0.122 RESID 21 (E): -2.712 ----- -0.828 -0.832 -5.373 -0.788 RESID 22 (S): 4.066 ----- -0.780 -1.268 -1.217 0.439 RESID 23 (K): -1.848 ----- 2.610 -1.669 -1.809 0.006 RESID 24 (N): 1.627 ----- 1.066 -1.289 -1.897 0.068 RESID 25 (S): ----- ----- -0.040 0.030 -0.177 ----- RESID 26 (Q): -0.200 ----- -0.585 -0.408 -0.450 -0.365 RESID 27 (G): 1.237 ----- -0.281 0.062 ----- 0.362 RESID 28 (E): 1.649 ----- 0.261 -1.308 -0.987 -0.291 RESID 29 (L): 2.470 ----- 0.491 0.429 -1.834 0.003 RESID 30 (V): -4.160 ----- 1.646 -1.776 -0.107 1.036 RESID 31 (G): -0.044 ----- 0.870 -1.332 ----- 1.177 RESID 32 (F): -3.024 ----- 1.722 -0.174 -0.365 0.019 RESID 33 (D): -2.557 ----- 1.071 -0.368 -1.601 1.739 RESID 34 (I): -0.806 ----- 0.301 -3.788 -4.179 -1.195 RESID 35 (D): 0.611 ----- 1.577 -0.361 0.073 0.740 RESID 36 (L): -0.434 ----- 0.508 -0.077 0.657 1.287 RESID 37 (A): -1.638 ----- -0.912 -0.163 -1.075 0.752 RESID 38 (K): -2.905 ----- 0.934 0.530 -0.495 0.669 RESID 39 (E): 2.181 ----- -1.091 -0.904 -1.528 -0.108 RESID 40 (L): 1.133 ----- -0.144 0.225 -1.485 0.616 RESID 41 (C): -2.836 ----- -1.686 -0.399 21.406 -0.160 RESID 42 (K): -0.263 ----- 1.641 -0.635 -0.923 -0.583 RESID 43 (R): 1.397 ----- 0.028 0.282 -0.242 0.505 RESID 44 (I): -5.722 ----- -0.819 -2.143 -1.536 -0.700 RESID 45 (N): 3.061 ----- -0.345 -0.958 0.703 -0.286 RESID 46 (T): 7.173 ----- 0.299 -0.308 -1.309 -0.028 RESID 47 (Q): 3.561 ----- 0.814 -0.522 -1.914 -0.253 RESID 48 (C): -0.461 ----- -0.664 -4.641 17.903 0.205 RESID 49 (T): -2.060 ----- 0.152 -1.034 -0.052 -0.499 RESID 50 (F): -2.187 ----- -0.121 -0.030 0.476 0.342 RESID 51 (V): 2.444 ----- -0.041 -0.026 -1.624 0.213 RESID 52 (E): -2.174 ----- 1.653 -2.793 -1.021 -0.154 RESID 53 (N): 6.248 ----- -1.807 -0.192 5.620 0.685 RESID 54 (P): ----- ----- -0.190 -0.704 -1.435 ----- RESID 55 (L): 0.069 ----- 0.878 -1.103 0.105 0.297 RESID 56 (D): -3.609 ----- -0.829 -0.780 -0.541 0.120 RESID 57 (A): 0.478 ----- 1.037 -2.177 -0.468 -0.249 RESID 58 (L): 1.125 ----- -0.964 0.856 -1.756 -0.292 RESID 59 (I): 0.110 ----- 1.261 1.632 -0.716 1.385 RESID 60 (P): ----- ----- 0.886 -0.603 -1.279 ----- RESID 61 (S): -0.139 ----- -1.184 0.317 ----- -0.360 RESID 62 (L): 3.131 ----- 1.962 -0.340 0.007 0.187 RESID 63 (K): 1.855 ----- -0.224 0.238 -1.696 0.729 RESID 64 (A): 0.180 ----- -0.454 -0.221 -0.314 -0.292 RESID 65 (K): -1.843 ----- -0.445 -0.164 -2.156 0.049 RESID 66 (K): 2.884 ----- -0.554 -1.259 -0.846 0.589 RESID 67 (I): -5.167 ----- -1.410 -0.018 -0.532 -0.230 RESID 68 (D): -3.454 ----- -3.745 0.253 1.711 1.283 RESID 69 (A): -0.892 ----- 1.082 -1.040 -0.197 -0.108 RESID 70 (I): -0.426 ----- -0.007 -0.563 0.278 1.281 RESID 71 (M): -1.013 ----- -1.223 -2.012 -0.317 0.211 RESID 72 (S): 2.524 ----- -1.937 1.085 -0.547 0.140 RESID 73 (S): 5.028 ----- 0.048 -1.054 0.110 -0.090 RESID 74 (L): -3.636 ----- -0.565 -1.345 -0.533 1.326 RESID 75 (S): 2.254 ----- 0.808 2.133 -1.629 0.273 RESID 76 (I): 9.435 ----- 0.908 1.808 -3.866 0.022 RESID 77 (T): 3.172 ----- -0.288 -2.199 -0.743 -1.009 RESID 78 (E): -0.408 ----- 1.607 -1.734 -0.632 0.011 RESID 79 (K): 0.029 ----- 1.535 -0.312 -0.689 0.051 RESID 80 (R): -0.344 ----- 0.137 0.347 0.290 0.269 RESID 81 (Q): -0.812 ----- -2.193 -1.601 0.314 0.101 RESID 82 (Q): -2.268 ----- -0.517 -1.119 -0.540 -0.662 RESID 83 (E): -2.113 ----- -0.909 -1.395 1.890 -0.299 RESID 84 (I): 3.227 ----- -1.324 0.466 -0.672 0.275 RESID 85 (A): 0.225 ----- -0.207 -1.086 0.778 0.231 RESID 86 (F): -3.394 ----- 2.937 -0.914 0.265 -0.323 RESID 87 (T): -6.541 ----- 0.900 0.921 2.599 -0.422 RESID 88 (D): -2.176 ----- -1.442 -0.819 1.018 -0.047 RESID 89 (K): 1.342 ----- -0.652 -1.673 0.347 -0.068 RESID 90 (L): -2.545 ----- 0.150 -2.698 -1.336 0.190 RESID 91 (Y): 0.456 ----- -1.050 0.368 -2.875 -0.444 RESID 92 (A): 0.657 ----- -1.118 0.903 0.757 -0.939 RESID 93 (A): -0.803 ----- -0.915 0.428 -0.048 0.424 RESID 94 (D): 1.333 ----- -0.826 -1.255 -0.206 0.752 RESID 95 (S): -1.859 ----- -1.468 0.459 -0.105 -1.036 RESID 96 (R): 4.519 ----- -0.156 1.575 -0.310 0.376 RESID 97 (L): -0.943 ----- 1.674 0.309 -1.756 1.282 RESID 98 (V): 0.848 ----- 0.754 0.847 0.311 1.477 RESID 99 (V): -5.421 ----- 0.600 -0.766 0.894 1.070 RESID 100 (A): 0.725 ----- 0.771 1.976 -1.623 0.763 RESID 101 (K): -4.318 ----- -0.357 0.461 -0.620 -1.068 RESID 102 (N): -1.158 ----- 0.262 -2.303 -1.613 -0.252 RESID 103 (S): 0.112 ----- 2.710 0.694 0.425 0.107 RESID 104 (D): -0.805 ----- 1.523 -1.020 -0.557 0.005 RESID 105 (I): -1.845 ----- -0.810 2.965 -2.944 -0.371 RESID 106 (Q): -0.483 ----- 0.821 -0.734 1.249 -0.329 RESID 107 (P): ----- ----- -0.494 -1.771 -4.138 ----- RESID 108 (T): -3.098 ----- -0.396 -3.934 -0.985 0.845 RESID 109 (V): -1.537 ----- 0.359 0.827 -2.183 0.289 RESID 110 (E): -3.900 ----- -0.333 -0.888 -0.889 0.007 RESID 111 (S): -0.107 ----- 0.561 -1.618 1.172 -1.053 RESID 112 (L): -4.172 ----- 0.036 -0.850 0.079 0.348 RESID 113 (K): 1.830 ----- 0.702 0.615 -1.412 -0.274 RESID 114 (G): 0.977 ----- -0.598 -0.096 ----- 0.100 RESID 115 (K): -1.182 ----- -1.322 -1.076 -1.275 0.665 RESID 116 (R): -1.376 ----- 0.577 -1.160 0.647 1.010 RESID 117 (V): 2.978 ----- 0.292 -0.291 -1.830 0.672 RESID 118 (G): 0.546 ----- -0.333 1.400 ----- 1.355 RESID 119 (V): -6.002 ----- 0.064 -2.176 -0.616 -0.141 RESID 120 (L): 0.240 ----- 1.236 -0.277 -1.416 0.141 RESID 121 (Q): 0.828 ----- -0.346 -0.413 -1.607 0.310 RESID 122 (G): 0.071 ----- 1.546 -0.236 ----- 0.632 RESID 123 (T): -1.692 ----- 2.366 0.265 2.873 -0.510 RESID 124 (T): 1.392 ----- 1.580 -0.696 -0.975 0.276 RESID 125 (Q): -1.797 ----- 0.204 1.917 -2.739 -0.755 RESID 126 (E): 2.102 ----- -1.299 -0.204 -0.910 -0.094 RESID 127 (T): 1.573 ----- -0.162 -0.543 -1.154 0.559 RESID 128 (F): -0.057 ----- 0.464 0.876 -0.113 0.285 RESID 129 (G): -0.124 ----- -0.390 -0.527 ----- -0.257 RESID 130 (N): 4.552 ----- 0.372 0.066 -0.627 0.348 RESID 131 (E): 2.280 ----- 0.807 1.234 -1.418 0.419 RESID 132 (H): -6.018 ----- 0.358 -1.861 0.709 -0.011 RESID 133 (W): 1.877 ----- 0.610 -0.979 0.636 0.161 RESID 134 (A): 0.764 ----- 0.483 0.750 -0.810 1.178 RESID 135 (P): ----- ----- -0.032 -0.053 -0.183 ----- RESID 136 (K): -0.666 ----- -1.046 -2.362 -0.447 -0.434 RESID 137 (G): -2.236 ----- 0.771 0.367 ----- 0.198 RESID 138 (I): 5.023 ----- -0.397 0.339 -1.738 -0.595 RESID 139 (E): 1.090 ----- -1.203 0.426 -1.714 -0.114 RESID 140 (I): 7.854 ----- 1.330 -1.929 -6.152 0.289 RESID 141 (V): 7.754 ----- -0.116 -0.091 -3.776 0.444 RESID 142 (S): 2.769 ----- 1.470 0.361 -0.003 0.095 RESID 143 (Y): -2.713 ----- -0.477 -0.421 0.976 -0.290 RESID 144 (Q): -0.616 ----- 1.103 0.587 -1.382 0.232 RESID 145 (G): -0.537 ----- -0.661 -0.030 ----- -0.332 RESID 146 (Q): 1.390 ----- -0.145 -1.015 -0.445 0.085 RESID 147 (D): -0.515 ----- 0.428 -0.200 -0.856 -0.037 RESID 148 (N): -0.321 ----- -0.643 -0.464 0.595 -1.065 RESID 149 (I): 0.162 ----- -0.130 -0.572 -1.666 -0.378 RESID 150 (Y): -0.798 ----- 0.752 -1.910 -1.688 -0.490 RESID 151 (S): 2.043 ----- -0.027 -0.391 -0.124 -0.083 RESID 152 (D): -0.857 ----- 0.694 -0.254 -2.159 -0.170 RESID 153 (L): 2.839 ----- 1.799 0.607 -0.195 0.592 RESID 154 (T): -1.360 ----- 1.303 -1.549 -0.272 0.091 RESID 155 (A): 1.606 ----- 0.131 -0.691 -0.415 0.367 RESID 156 (G): 0.660 ----- -0.266 0.236 ----- -0.059 RESID 157 (R): -0.197 ----- 0.877 -0.323 -0.355 0.362 RESID 158 (I): -4.072 ----- -0.609 0.677 -0.912 -0.018 RESID 159 (D): -4.856 ----- -0.957 -0.424 1.935 0.258 RESID 160 (A): -0.043 ----- 0.578 -1.292 1.668 0.537 RESID 161 (A): 1.607 ----- -0.158 -0.571 -0.485 0.930 RESID 162 (F): 2.479 ----- -2.117 -3.711 0.582 0.485 RESID 163 (Q): 1.216 ----- -0.308 -0.090 1.258 -0.401 RESID 164 (D): 1.114 ----- -1.464 1.045 0.299 -0.148 RESID 165 (E): 5.862 ----- -0.440 0.091 0.174 -0.173 RESID 166 (V): 1.206 ----- 0.994 0.080 -0.237 0.518 RESID 167 (A): 3.152 ----- 3.403 0.257 -0.144 0.684 RESID 168 (A): -0.848 ----- 0.084 -0.366 0.314 0.472 RESID 169 (S): -1.026 ----- -0.469 -1.513 0.391 -0.088 RESID 170 (E): -4.849 ----- 1.372 -0.506 0.744 0.973 RESID 171 (G): -1.551 ----- -1.351 -0.308 ----- 0.839 RESID 172 (F): -2.420 ----- -2.514 -0.451 1.653 -1.046 RESID 173 (L): -0.022 ----- 0.683 0.798 -1.824 0.949 RESID 174 (K): -1.803 ----- 0.460 -0.872 -0.885 0.409 RESID 175 (Q): 2.014 ----- 1.992 0.230 -3.109 -0.124 RESID 176 (P): ----- ----- 1.818 0.720 -0.883 ----- RESID 177 (V): -4.662 ----- -2.063 -3.226 0.014 -0.333 RESID 178 (G): 4.117 ----- 0.159 -2.053 ----- -0.396 RESID 179 (K): 1.752 ----- -0.529 -0.093 -1.050 -0.258 RESID 180 (D): 0.160 ----- -1.905 -1.920 -1.575 0.492 RESID 181 (Y): 5.521 ----- -1.156 0.189 -0.428 0.389 RESID 182 (K): -1.771 ----- 0.623 -2.135 2.290 0.648 RESID 183 (F): -4.305 ----- 2.840 -1.322 -4.533 0.607 RESID 184 (G): 4.306 ----- -1.402 1.888 ----- 0.264 RESID 185 (G): 0.769 ----- -1.810 -1.033 ----- -0.776 RESID 186 (P): ----- ----- -0.696 -2.535 0.775 ----- RESID 187 (S): -6.006 ----- -0.362 0.635 -2.521 0.134 RESID 188 (V): 1.627 ----- 0.398 -0.287 -0.760 1.192 RESID 189 (K): 3.189 ----- 2.764 -1.478 -1.062 -0.092 RESID 190 (D): -1.799 ----- -1.585 2.164 2.211 0.527 RESID 191 (E): 2.495 ----- -0.251 0.825 -1.110 0.399 RESID 192 (K): -1.273 ----- 0.093 -0.784 -0.455 -0.834 RESID 193 (L): 0.134 ----- 0.008 -1.195 0.276 1.230 RESID 194 (F): 3.346 ----- 2.363 -2.681 -2.329 0.736 RESID 195 (G): -1.968 ----- 0.317 -0.908 ----- -0.170 RESID 196 (V): -11.207 ----- -0.685 -3.522 -1.542 -0.228 RESID 197 (G): 2.659 ----- 0.336 -2.137 ----- 0.501 RESID 198 (T): -4.423 ----- -0.663 -0.471 -0.416 -0.060 RESID 199 (G): -4.750 ----- -0.865 -1.502 ----- 0.158 RESID 200 (M): 1.541 ----- 0.210 -0.002 -1.593 -0.527 RESID 201 (G): 1.488 ----- -0.786 0.114 ----- 0.494 RESID 202 (L): -0.090 ----- 0.119 0.912 -0.119 0.159 RESID 203 (R): 1.414 ----- 2.494 1.637 -1.657 2.005 RESID 204 (K): -1.430 ----- 0.660 -0.151 -0.231 0.568 RESID 205 (E): -3.420 ----- -0.244 -1.048 -1.154 0.807 RESID 206 (D): 5.212 ----- 0.781 0.026 -1.163 -0.777 RESID 207 (N): -0.312 ----- -0.117 0.531 -0.076 -0.892 RESID 208 (E): 1.956 ----- 1.534 0.939 -1.781 0.384 RESID 209 (L): 2.388 ----- -1.131 0.031 -1.156 0.578 RESID 210 (R): 0.302 ----- -0.774 0.190 0.088 -0.776 RESID 211 (E): -3.037 ----- 1.270 -0.113 -0.972 0.524 RESID 212 (A): 0.823 ----- 1.662 0.095 -0.973 0.551 RESID 213 (L): 1.503 ----- -1.251 -0.438 0.337 0.275 RESID 214 (N): 2.844 ----- 1.861 -0.603 -0.819 0.039 RESID 215 (K): 2.445 ----- -0.118 -0.299 -0.745 -0.347 RESID 216 (A): 0.451 ----- -0.002 -0.733 0.424 -0.395 RESID 217 (F): -0.647 ----- 0.221 1.074 -1.068 0.614 RESID 218 (A): 0.086 ----- 2.424 -0.400 -1.342 -0.195 RESID 219 (E): 0.971 ----- -0.413 -0.268 -1.165 0.108 RESID 220 (M): 2.673 ----- 0.396 -2.118 0.181 0.018 RESID 221 (R): 0.809 ----- 0.410 -0.224 -2.388 0.238 RESID 222 (A): 0.414 ----- 0.389 -0.437 -0.532 0.091 RESID 223 (D): 0.508 ----- 0.645 -0.093 -0.789 0.111 RESID 224 (G): -2.283 ----- 0.014 -1.309 ----- -0.403 RESID 225 (T): 5.276 ----- 0.352 -0.211 -1.917 0.365 RESID 226 (Y): -0.211 ----- -0.919 0.259 0.088 0.382 RESID 227 (E): -0.494 ----- -0.494 -0.536 -0.317 -0.443 RESID 228 (K): -1.299 ----- 0.441 -0.227 -0.898 -0.819 RESID 229 (L): -0.275 ----- 0.500 -0.737 -0.358 -0.027 RESID 230 (A): -0.931 ----- 1.273 -0.633 -0.144 0.581 RESID 231 (K): -0.731 ----- -0.429 -1.389 -1.020 0.005 RESID 232 (K): 0.862 ----- -2.371 -0.737 -1.397 -0.375 RESID 233 (Y): -3.018 ----- -0.654 -3.067 0.517 -0.982 RESID 234 (F): 2.985 ----- 2.366 -1.794 -1.523 -0.114 RESID 235 (D): 2.280 ----- -0.589 -0.746 0.167 0.251 RESID 236 (F): -6.514 ----- 0.022 -2.302 0.030 -0.642 RESID 237 (D): -2.285 ----- -1.288 0.408 -2.673 0.171 RESID 238 (V): 7.307 ----- -1.509 -3.260 0.668 -1.030 RESID 239 (Y): 5.377 ----- -2.163 1.103 0.139 -0.107 RESID 240 (G): -0.393 ----- -0.259 0.511 ----- -0.500 DATA CS_STAT_INFO N RMS: 2.942 ppm Count: 226 Average Difference: -0.146 +/- 2.945 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.297 ppm Count: 236 Average Difference: -0.102 +/- 1.295 ppm DATA CS_STAT_INFO CA RMS: 1.330 ppm Count: 236 Average Difference: 0.534 +/- 1.220 ppm DATA CS_STAT_INFO CB RMS: 2.449 ppm Count: 215 Average Difference: 0.501 +/- 2.402 ppm DATA CS_STAT_INFO HN RMS: 0.589 ppm Count: 226 Average Difference: -0.121 +/- 0.578 ppm ############################################################################ For conformer 10: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.300 0.000 RESID 5 (I): C 174.300 174.300 174.341 -0.041 RESID 5 (I): CA 57.710 57.710 59.785 -2.075 RESID 5 (I): CB 37.260 37.260 37.777 -0.517 RESID 5 (I): H 7.868 7.868 8.228 -0.360 RESID 6 (P): C 176.100 176.100 176.825 -0.725 RESID 6 (P): CA 62.180 62.180 62.797 -0.617 RESID 6 (P): CB 31.620 31.620 32.348 -0.728 RESID 7 (Q): N 119.200 119.200 119.575 -0.375 RESID 7 (Q): C 175.600 175.600 176.030 -0.430 RESID 7 (Q): CA 57.190 57.190 57.824 -0.634 RESID 7 (Q): CB 28.500 28.500 29.134 -0.634 RESID 7 (Q): H 8.380 8.380 8.687 -0.307 RESID 8 (N): N 116.300 116.300 114.285 2.015 RESID 8 (N): C 173.600 173.600 173.868 -0.268 RESID 8 (N): CA 51.720 51.720 52.363 -0.643 RESID 8 (N): CB 40.540 40.540 41.957 -1.417 RESID 8 (N): H 7.472 7.472 7.808 -0.336 RESID 9 (I): N 121.000 121.000 122.662 -1.662 RESID 9 (I): C 174.700 174.700 174.916 -0.216 RESID 9 (I): CA 59.480 59.480 60.070 -0.590 RESID 9 (I): CB 39.740 39.740 40.312 -0.572 RESID 9 (I): H 8.416 8.416 9.145 -0.729 RESID 10 (R): N 126.500 126.500 127.071 -0.571 RESID 10 (R): C 175.800 175.800 175.476 0.324 RESID 10 (R): CA 53.950 53.950 55.350 -1.400 RESID 10 (R): CB 30.670 30.670 31.353 -0.683 RESID 10 (R): H 9.098 9.098 8.501 0.597 RESID 11 (I): N 127.500 127.500 124.923 2.577 RESID 11 (I): C 175.600 175.600 175.103 0.497 RESID 11 (I): CA 59.480 59.480 59.411 0.069 RESID 11 (I): CB 37.460 37.460 41.630 -4.170 RESID 11 (I): H 9.279 9.279 9.088 0.191 RESID 12 (G): N 114.800 114.800 114.269 0.531 RESID 12 (G): C 171.700 171.700 173.024 -1.324 RESID 12 (G): CA 44.540 44.540 44.295 0.245 RESID 12 (G): H 9.382 9.382 8.536 0.846 RESID 13 (T): N 120.600 120.600 121.609 -1.009 RESID 13 (T): C 181.600 181.600 173.079 8.521 RESID 13 (T): CA 61.470 61.470 62.095 -0.625 RESID 13 (T): CB 69.970 69.970 71.734 -1.764 RESID 13 (T): H 8.594 8.594 7.971 0.623 RESID 14 (D): N 127.000 127.000 127.796 -0.796 RESID 14 (D): C 177.500 177.500 174.630 2.870 RESID 14 (D): CA 49.760 49.760 50.268 -0.508 RESID 14 (D): CB 40.580 40.580 42.332 -1.752 RESID 14 (D): H 8.200 8.200 8.677 -0.477 RESID 15 (P): C 175.400 175.400 176.491 -1.091 RESID 15 (P): CA 61.920 61.920 63.320 -1.400 RESID 15 (P): CB 27.890 27.890 32.364 -4.474 RESID 16 (T): N 116.200 116.200 110.792 5.408 RESID 16 (T): C 174.000 174.000 173.254 0.746 RESID 16 (T): CA 59.560 59.560 62.054 -2.494 RESID 16 (T): CB 68.650 68.650 69.829 -1.179 RESID 16 (T): H 8.739 8.739 8.311 0.428 RESID 17 (Y): N 125.800 125.800 121.817 3.983 RESID 17 (Y): C 175.200 175.200 175.643 -0.443 RESID 17 (Y): CA 54.180 54.180 56.164 -1.984 RESID 17 (Y): CB 38.700 38.700 38.560 0.140 RESID 17 (Y): H 8.943 8.943 8.079 0.864 RESID 18 (A): N 132.100 132.100 129.658 2.442 RESID 18 (A): C 176.000 176.000 176.462 -0.462 RESID 18 (A): CA 51.490 51.490 56.047 -4.557 RESID 18 (A): CB 16.070 16.070 16.250 -0.180 RESID 18 (A): H 8.945 8.945 8.919 0.026 RESID 19 (P): C 173.500 173.500 177.818 -4.318 RESID 19 (P): CA 62.890 62.890 65.239 -2.349 RESID 19 (P): CB 31.790 31.790 31.605 0.185 RESID 20 (F): N 125.100 125.100 117.374 7.726 RESID 20 (F): C 176.700 176.700 175.093 1.607 RESID 20 (F): CA 62.420 62.420 59.673 2.747 RESID 20 (F): CB 37.980 37.980 41.042 -3.062 RESID 20 (F): H 8.117 8.117 8.243 -0.126 RESID 21 (E): N 111.800 111.800 114.548 -2.748 RESID 21 (E): C 173.600 173.600 174.435 -0.835 RESID 21 (E): CA 54.400 54.400 55.194 -0.794 RESID 21 (E): CB 28.770 28.770 34.163 -5.393 RESID 21 (E): H 7.701 7.701 8.461 -0.760 RESID 22 (S): N 117.200 117.200 113.084 4.116 RESID 22 (S): C 171.500 171.500 172.277 -0.777 RESID 22 (S): CA 57.290 57.290 58.588 -1.298 RESID 22 (S): CB 62.940 62.940 64.121 -1.181 RESID 22 (S): H 8.750 8.750 8.297 0.453 RESID 23 (K): N 117.400 117.400 119.419 -2.019 RESID 23 (K): C 177.600 177.600 175.065 2.535 RESID 23 (K): CA 53.700 53.700 55.335 -1.635 RESID 23 (K): CB 33.330 33.330 35.189 -1.859 RESID 23 (K): H 8.238 8.238 8.241 -0.003 RESID 24 (N): N 122.400 122.400 120.896 1.504 RESID 24 (N): C 178.000 178.000 177.036 0.964 RESID 24 (N): CA 50.600 50.600 51.870 -1.270 RESID 24 (N): CB 38.140 38.140 40.123 -1.983 RESID 24 (N): H 8.584 8.584 8.582 0.002 RESID 25 (S): C 175.400 175.400 175.440 -0.040 RESID 25 (S): CA 60.970 60.970 60.899 0.071 RESID 25 (S): CB 62.410 62.410 62.512 -0.102 RESID 26 (Q): N 119.300 119.300 119.489 -0.189 RESID 26 (Q): C 176.200 176.200 176.817 -0.617 RESID 26 (Q): CA 55.180 55.180 55.666 -0.486 RESID 26 (Q): CB 28.260 28.260 28.715 -0.455 RESID 26 (Q): H 7.520 7.520 8.369 -0.849 RESID 27 (G): N 108.800 108.800 107.662 1.138 RESID 27 (G): C 173.700 173.700 174.068 -0.368 RESID 27 (G): CA 45.050 45.050 45.077 -0.027 RESID 27 (G): H 8.169 8.169 7.849 0.320 RESID 28 (E): N 121.200 121.200 120.701 0.499 RESID 28 (E): C 175.800 175.800 175.673 0.127 RESID 28 (E): CA 54.490 54.490 55.968 -1.478 RESID 28 (E): CB 29.750 29.750 30.586 -0.836 RESID 28 (E): H 7.836 7.836 8.057 -0.221 RESID 29 (L): N 123.500 123.500 121.220 2.280 RESID 29 (L): C 176.400 176.400 175.352 1.048 RESID 29 (L): CA 54.310 54.310 53.820 0.490 RESID 29 (L): CB 41.180 41.180 42.840 -1.660 RESID 29 (L): H 8.281 8.281 8.251 0.030 RESID 30 (V): N 118.200 118.200 121.838 -3.638 RESID 30 (V): C 175.300 175.300 173.636 1.664 RESID 30 (V): CA 58.360 58.360 60.015 -1.655 RESID 30 (V): CB 36.080 36.080 36.199 -0.118 RESID 30 (V): H 8.900 8.900 7.658 1.242 RESID 31 (G): N 109.800 109.800 109.828 -0.028 RESID 31 (G): C 174.400 174.400 173.496 0.904 RESID 31 (G): CA 43.830 43.830 45.163 -1.333 RESID 31 (G): H 8.611 8.611 7.429 1.182 RESID 32 (F): N 119.900 119.900 122.508 -2.608 RESID 32 (F): C 177.900 177.900 175.883 2.017 RESID 32 (F): CA 59.800 59.800 60.678 -0.878 RESID 32 (F): CB 38.950 38.950 39.270 -0.320 RESID 32 (F): H 8.295 8.295 8.119 0.176 RESID 33 (D): N 116.500 116.500 119.111 -2.611 RESID 33 (D): C 179.100 179.100 178.052 1.048 RESID 33 (D): CA 56.180 56.180 56.609 -0.429 RESID 33 (D): CB 38.610 38.610 40.270 -1.661 RESID 33 (D): H 8.935 8.935 7.350 1.585 RESID 34 (I): N 118.800 118.800 119.660 -0.860 RESID 34 (I): C 178.000 178.000 177.740 0.260 RESID 34 (I): CA 60.950 60.950 64.723 -3.773 RESID 34 (I): CB 33.620 33.620 37.831 -4.211 RESID 34 (I): H 6.535 6.535 7.733 -1.198 RESID 35 (D): N 121.000 121.000 120.367 0.633 RESID 35 (D): C 180.300 180.300 178.715 1.585 RESID 35 (D): CA 57.100 57.100 57.455 -0.355 RESID 35 (D): CB 40.420 40.420 40.331 0.088 RESID 35 (D): H 8.536 8.536 7.810 0.726 RESID 36 (L): N 120.500 120.500 120.900 -0.400 RESID 36 (L): C 178.500 178.500 177.998 0.502 RESID 36 (L): CA 57.720 57.720 57.776 -0.056 RESID 36 (L): CB 42.230 42.230 41.588 0.642 RESID 36 (L): H 8.508 8.508 7.231 1.277 RESID 37 (A): N 120.200 120.200 121.597 -1.397 RESID 37 (A): C 178.600 178.600 179.588 -0.988 RESID 37 (A): CA 55.170 55.170 55.223 -0.053 RESID 37 (A): CB 17.340 17.340 18.469 -1.129 RESID 37 (A): H 8.383 8.383 7.669 0.714 RESID 38 (K): N 116.400 116.400 119.391 -2.991 RESID 38 (K): C 180.100 180.100 179.117 0.983 RESID 38 (K): CA 60.530 60.530 60.022 0.508 RESID 38 (K): CB 31.840 31.840 32.389 -0.549 RESID 38 (K): H 8.780 8.780 8.175 0.605 RESID 39 (E): N 121.500 121.500 119.475 2.025 RESID 39 (E): C 178.300 178.300 179.369 -1.069 RESID 39 (E): CA 58.430 58.430 59.326 -0.896 RESID 39 (E): CB 27.990 27.990 29.499 -1.509 RESID 39 (E): H 7.692 7.692 7.787 -0.095 RESID 40 (L): N 121.500 121.500 120.391 1.109 RESID 40 (L): C 178.700 178.700 178.802 -0.102 RESID 40 (L): CA 58.490 58.490 58.270 0.220 RESID 40 (L): CB 40.250 40.250 41.761 -1.511 RESID 40 (L): H 8.563 8.563 7.835 0.728 RESID 41 (C): N 115.700 115.700 118.421 -2.721 RESID 41 (C): C 175.800 175.800 177.467 -1.667 RESID 41 (C): CA 62.390 62.390 62.748 -0.358 RESID 41 (C): CB 46.860 46.860 25.468 21.392 RESID 41 (C): H 8.598 8.598 8.550 0.048 RESID 42 (K): N 119.300 119.300 119.630 -0.330 RESID 42 (K): C 180.800 180.800 179.123 1.677 RESID 42 (K): CA 58.810 58.810 59.446 -0.636 RESID 42 (K): CB 31.430 31.430 32.353 -0.923 RESID 42 (K): H 7.490 7.490 8.032 -0.542 RESID 43 (R): N 119.500 119.500 117.952 1.548 RESID 43 (R): C 178.700 178.700 178.667 0.033 RESID 43 (R): CA 58.760 58.760 58.457 0.303 RESID 43 (R): CB 29.980 29.980 30.218 -0.238 RESID 43 (R): H 8.057 8.057 7.629 0.428 RESID 44 (I): N 111.800 111.800 117.543 -5.743 RESID 44 (I): C 175.000 175.000 175.830 -0.830 RESID 44 (I): CA 60.940 60.940 63.053 -2.113 RESID 44 (I): CB 36.630 36.630 38.195 -1.565 RESID 44 (I): H 7.765 7.765 8.407 -0.642 RESID 45 (N): N 118.800 118.800 115.730 3.070 RESID 45 (N): C 173.600 173.600 173.951 -0.351 RESID 45 (N): CA 53.670 53.670 54.630 -0.960 RESID 45 (N): CB 36.620 36.620 35.911 0.709 RESID 45 (N): H 7.752 7.752 8.057 -0.305 RESID 46 (T): N 112.800 112.800 105.778 7.022 RESID 46 (T): C 173.100 173.100 172.840 0.260 RESID 46 (T): CA 60.020 60.020 60.270 -0.250 RESID 46 (T): CB 70.500 70.500 71.873 -1.373 RESID 46 (T): H 7.920 7.920 7.915 0.005 RESID 47 (Q): N 123.500 123.500 120.010 3.490 RESID 47 (Q): C 175.400 175.400 174.570 0.830 RESID 47 (Q): CA 54.550 54.550 55.100 -0.550 RESID 47 (Q): CB 28.670 28.670 30.474 -1.804 RESID 47 (Q): H 8.037 8.037 8.364 -0.327 RESID 48 (C): N 123.800 123.800 124.423 -0.623 RESID 48 (C): C 173.800 173.800 174.389 -0.589 RESID 48 (C): CA 53.170 53.170 57.897 -4.727 RESID 48 (C): CB 47.290 47.290 29.393 17.897 RESID 48 (C): H 8.881 8.881 8.685 0.196 RESID 49 (T): N 118.600 118.600 120.484 -1.884 RESID 49 (T): C 172.700 172.700 172.557 0.143 RESID 49 (T): CA 60.210 60.210 61.256 -1.046 RESID 49 (T): CB 70.980 70.980 71.074 -0.094 RESID 49 (T): H 8.324 8.324 8.808 -0.484 RESID 50 (F): N 123.800 123.800 125.947 -2.147 RESID 50 (F): C 175.800 175.800 175.952 -0.152 RESID 50 (F): CA 57.370 57.370 57.372 -0.002 RESID 50 (F): CB 40.730 40.730 40.274 0.456 RESID 50 (F): H 8.982 8.982 8.626 0.356 RESID 51 (V): N 126.300 126.300 123.744 2.556 RESID 51 (V): C 174.700 174.700 174.731 -0.031 RESID 51 (V): CA 60.650 60.650 60.671 -0.021 RESID 51 (V): CB 33.700 33.700 35.397 -1.697 RESID 51 (V): H 9.271 9.271 9.080 0.191 RESID 52 (E): N 126.900 126.900 128.932 -2.032 RESID 52 (E): C 176.900 176.900 175.230 1.670 RESID 52 (E): CA 54.480 54.480 57.261 -2.781 RESID 52 (E): CB 29.350 29.350 30.402 -1.052 RESID 52 (E): H 8.617 8.617 8.774 -0.157 RESID 53 (N): N 127.100 127.100 120.655 6.445 RESID 53 (N): C 170.600 170.600 172.413 -1.813 RESID 53 (N): CA 51.220 51.220 51.466 -0.246 RESID 53 (N): CB 43.980 43.980 38.356 5.624 RESID 53 (N): H 8.917 8.917 8.233 0.684 RESID 54 (P): C 178.600 178.600 178.745 -0.145 RESID 54 (P): CA 61.650 61.650 62.346 -0.696 RESID 54 (P): CB 31.460 31.460 32.895 -1.435 RESID 55 (L): N 124.200 124.200 124.151 0.049 RESID 55 (L): C 179.600 179.600 178.720 0.880 RESID 55 (L): CA 58.130 58.130 59.229 -1.099 RESID 55 (L): CB 41.470 41.470 41.390 0.080 RESID 55 (L): H 9.096 9.096 8.776 0.320 RESID 56 (D): N 115.400 115.400 118.998 -3.598 RESID 56 (D): C 176.500 176.500 177.322 -0.822 RESID 56 (D): CA 56.080 56.080 56.864 -0.784 RESID 56 (D): CB 39.640 39.640 40.180 -0.540 RESID 56 (D): H 8.651 8.651 8.538 0.113 RESID 57 (A): N 120.400 120.400 119.885 0.515 RESID 57 (A): C 180.000 180.000 178.961 1.039 RESID 57 (A): CA 51.440 51.440 53.598 -2.158 RESID 57 (A): CB 19.170 19.170 19.649 -0.479 RESID 57 (A): H 8.079 8.079 8.307 -0.228 RESID 58 (L): N 122.300 122.300 121.180 1.120 RESID 58 (L): C 177.800 177.800 178.770 -0.970 RESID 58 (L): CA 58.960 58.960 58.111 0.849 RESID 58 (L): CB 40.150 40.150 41.914 -1.764 RESID 58 (L): H 7.783 7.783 8.110 -0.327 RESID 59 (I): N 119.600 119.600 119.508 0.092 RESID 59 (I): C 176.400 176.400 175.139 1.261 RESID 59 (I): CA 68.170 68.170 66.545 1.625 RESID 59 (I): CB 33.980 33.980 34.690 -0.710 RESID 59 (I): H 9.094 9.094 7.717 1.377 RESID 60 (P): C 180.100 180.100 179.228 0.872 RESID 60 (P): CA 65.890 65.890 66.522 -0.632 RESID 60 (P): CB 29.980 29.980 31.262 -1.282 RESID 61 (S): N 114.800 114.800 114.880 -0.080 RESID 61 (S): C 175.500 175.500 176.681 -1.181 RESID 61 (S): CA 62.170 62.170 61.834 0.336 RESID 61 (S): H 7.865 7.865 8.191 -0.326 RESID 62 (L): N 126.200 126.200 123.094 3.106 RESID 62 (L): C 181.000 181.000 178.967 2.033 RESID 62 (L): CA 57.400 57.400 57.699 -0.299 RESID 62 (L): CB 41.820 41.820 41.776 0.044 RESID 62 (L): H 8.296 8.296 8.139 0.157 RESID 63 (K): N 121.000 121.000 119.067 1.933 RESID 63 (K): C 178.000 178.000 177.907 0.093 RESID 63 (K): CA 59.500 59.500 59.169 0.331 RESID 63 (K): CB 30.770 30.770 32.477 -1.707 RESID 63 (K): H 8.461 8.461 7.781 0.680 RESID 64 (A): N 118.700 118.700 118.691 0.009 RESID 64 (A): C 176.200 176.200 176.675 -0.475 RESID 64 (A): CA 51.680 51.680 51.977 -0.297 RESID 64 (A): CB 18.140 18.140 18.588 -0.448 RESID 64 (A): H 7.686 7.686 7.977 -0.291 RESID 65 (K): N 112.200 112.200 114.016 -1.816 RESID 65 (K): C 176.000 176.000 176.479 -0.479 RESID 65 (K): CA 57.800 57.800 57.988 -0.188 RESID 65 (K): CB 27.730 27.730 29.910 -2.180 RESID 65 (K): H 7.751 7.751 7.684 0.067 RESID 66 (K): N 118.300 118.300 115.420 2.880 RESID 66 (K): C 176.600 176.600 177.126 -0.526 RESID 66 (K): CA 57.200 57.200 58.456 -1.256 RESID 66 (K): CB 32.170 32.170 33.010 -0.840 RESID 66 (K): H 8.415 8.415 7.784 0.631 RESID 67 (I): N 107.500 107.500 112.485 -4.985 RESID 67 (I): C 174.000 174.000 175.397 -1.397 RESID 67 (I): CA 59.050 59.050 59.039 0.011 RESID 67 (I): CB 40.470 40.470 41.043 -0.573 RESID 67 (I): H 7.034 7.034 7.245 -0.211 RESID 68 (D): N 119.000 119.000 121.956 -2.956 RESID 68 (D): C 172.200 172.200 175.768 -3.568 RESID 68 (D): CA 55.560 55.560 55.388 0.172 RESID 68 (D): CB 44.210 44.210 42.594 1.616 RESID 68 (D): H 9.739 9.739 8.571 1.168 RESID 69 (A): N 117.400 117.400 118.107 -0.707 RESID 69 (A): C 175.900 175.900 174.846 1.054 RESID 69 (A): CA 50.120 50.120 51.172 -1.052 RESID 69 (A): CB 21.960 21.960 22.128 -0.168 RESID 69 (A): H 7.660 7.660 7.644 0.016 RESID 70 (I): N 120.500 120.500 120.766 -0.266 RESID 70 (I): C 174.500 174.500 174.430 0.070 RESID 70 (I): CA 60.060 60.060 60.648 -0.587 RESID 70 (I): CB 41.190 41.190 41.012 0.178 RESID 70 (I): H 9.402 9.402 8.050 1.352 RESID 71 (M): N 128.300 128.300 129.425 -1.125 RESID 71 (M): C 172.500 172.500 173.912 -1.412 RESID 71 (M): CA 53.040 53.040 54.935 -1.895 RESID 71 (M): CB 33.940 33.940 34.573 -0.633 RESID 71 (M): H 8.431 8.431 8.262 0.169 RESID 72 (S): N 122.700 122.700 120.597 2.103 RESID 72 (S): C 172.800 172.800 173.787 -0.987 RESID 72 (S): CA 57.630 57.630 56.684 0.946 RESID 72 (S): CB 64.590 64.590 65.201 -0.612 RESID 72 (S): H 8.717 8.717 8.593 0.124 RESID 73 (S): N 120.600 120.600 116.356 4.244 RESID 73 (S): C 174.900 174.900 174.972 -0.072 RESID 73 (S): CA 58.590 58.590 59.760 -1.170 RESID 73 (S): CB 62.920 62.920 62.789 0.130 RESID 73 (S): H 8.570 8.570 8.594 -0.024 RESID 74 (L): N 120.700 120.700 123.910 -3.210 RESID 74 (L): C 175.300 175.300 175.877 -0.577 RESID 74 (L): CA 54.320 54.320 55.425 -1.105 RESID 74 (L): CB 42.350 42.350 42.639 -0.289 RESID 74 (L): H 8.678 8.678 7.682 0.996 RESID 75 (S): N 122.000 122.000 119.940 2.060 RESID 75 (S): C 174.500 174.500 173.646 0.854 RESID 75 (S): CA 59.250 59.250 56.902 2.348 RESID 75 (S): CB 63.060 63.060 64.805 -1.745 RESID 75 (S): H 8.142 8.142 7.899 0.243 RESID 76 (I): N 125.200 125.200 115.780 9.420 RESID 76 (I): C 175.500 175.500 174.456 1.044 RESID 76 (I): CA 61.340 61.340 59.661 1.679 RESID 76 (I): CB 35.790 35.790 39.658 -3.868 RESID 76 (I): H 8.307 8.307 8.211 0.096 RESID 77 (T): N 116.600 116.600 113.460 3.140 RESID 77 (T): C 174.800 174.800 175.070 -0.270 RESID 77 (T): CA 57.760 57.760 59.975 -2.215 RESID 77 (T): CB 71.570 71.570 72.314 -0.744 RESID 77 (T): H 6.513 6.513 7.525 -1.012 RESID 78 (E): N 124.500 124.500 124.855 -0.355 RESID 78 (E): C 179.500 179.500 177.895 1.605 RESID 78 (E): CA 59.140 59.140 60.859 -1.719 RESID 78 (E): CB 28.630 28.630 29.274 -0.644 RESID 78 (E): H 8.935 8.935 8.910 0.025 RESID 79 (K): N 118.400 118.400 118.332 0.068 RESID 79 (K): C 180.600 180.600 179.040 1.560 RESID 79 (K): CA 58.890 58.890 59.190 -0.300 RESID 79 (K): CB 31.610 31.610 32.299 -0.689 RESID 79 (K): H 8.415 8.415 8.364 0.052 RESID 80 (R): N 118.500 118.500 118.852 -0.352 RESID 80 (R): C 179.100 179.100 178.956 0.144 RESID 80 (R): CA 59.580 59.580 59.215 0.366 RESID 80 (R): CB 30.380 30.380 30.067 0.313 RESID 80 (R): H 7.678 7.678 7.401 0.277 RESID 81 (Q): N 119.000 119.000 119.658 -0.658 RESID 81 (Q): C 176.600 176.600 178.626 -2.026 RESID 81 (Q): CA 57.510 57.510 58.986 -1.476 RESID 81 (Q): CB 28.880 28.880 28.576 0.304 RESID 81 (Q): H 8.418 8.418 8.281 0.137 RESID 82 (Q): N 115.300 115.300 117.380 -2.080 RESID 82 (Q): C 177.400 177.400 177.960 -0.560 RESID 82 (Q): CA 57.280 57.280 58.342 -1.062 RESID 82 (Q): CB 27.950 27.950 28.520 -0.570 RESID 82 (Q): H 7.297 7.297 7.910 -0.613 RESID 83 (E): N 115.600 115.600 117.750 -2.150 RESID 83 (E): C 176.400 176.400 177.294 -0.894 RESID 83 (E): CA 56.950 56.950 58.367 -1.417 RESID 83 (E): CB 33.090 33.090 31.210 1.879 RESID 83 (E): H 7.627 7.627 7.931 -0.304 RESID 84 (I): N 115.100 115.100 111.886 3.214 RESID 84 (I): C 172.600 172.600 173.938 -1.338 RESID 84 (I): CA 59.380 59.380 58.896 0.484 RESID 84 (I): CB 40.830 40.830 41.522 -0.692 RESID 84 (I): H 8.275 8.275 7.974 0.301 RESID 85 (A): N 120.600 120.600 120.385 0.215 RESID 85 (A): C 175.000 175.000 175.266 -0.266 RESID 85 (A): CA 49.150 49.150 50.281 -1.131 RESID 85 (A): CB 22.280 22.280 21.409 0.872 RESID 85 (A): H 8.679 8.679 8.394 0.285 RESID 86 (F): N 115.500 115.500 119.117 -3.617 RESID 86 (F): C 178.800 178.800 175.815 2.985 RESID 86 (F): CA 55.850 55.850 56.918 -1.068 RESID 86 (F): CB 44.300 44.300 44.039 0.261 RESID 86 (F): H 8.283 8.283 8.615 -0.332 RESID 87 (T): N 108.200 108.200 114.979 -6.779 RESID 87 (T): C 174.700 174.700 173.790 0.910 RESID 87 (T): CA 61.930 61.930 61.153 0.777 RESID 87 (T): CB 72.740 72.740 70.088 2.652 RESID 87 (T): H 7.898 7.898 8.389 -0.491 RESID 88 (D): N 118.400 118.400 120.399 -1.999 RESID 88 (D): C 174.300 174.300 175.623 -1.323 RESID 88 (D): CA 55.030 55.030 55.777 -0.747 RESID 88 (D): CB 40.870 40.870 39.817 1.053 RESID 88 (D): H 8.789 8.789 8.804 -0.015 RESID 89 (K): N 118.100 118.100 116.618 1.482 RESID 89 (K): C 176.200 176.200 176.700 -0.500 RESID 89 (K): CA 55.570 55.570 57.272 -1.702 RESID 89 (K): CB 31.850 31.850 31.526 0.324 RESID 89 (K): H 7.666 7.666 7.688 -0.022 RESID 90 (L): N 123.400 123.400 126.386 -2.986 RESID 90 (L): C 178.000 178.000 177.730 0.270 RESID 90 (L): CA 54.450 54.450 57.318 -2.868 RESID 90 (L): CB 41.710 41.710 43.316 -1.605 RESID 90 (L): H 8.778 8.778 8.765 0.013 RESID 91 (Y): N 110.500 110.500 110.020 0.480 RESID 91 (Y): C 172.600 172.600 173.679 -1.079 RESID 91 (Y): CA 56.070 56.070 55.537 0.533 RESID 91 (Y): CB 37.670 37.670 40.563 -2.893 RESID 91 (Y): H 6.810 6.810 7.188 -0.378 RESID 92 (A): N 123.100 123.100 122.553 0.547 RESID 92 (A): C 175.600 175.600 176.769 -1.169 RESID 92 (A): CA 51.940 51.940 51.094 0.846 RESID 92 (A): CB 20.320 20.320 19.600 0.720 RESID 92 (A): H 8.135 8.135 9.102 -0.967 RESID 93 (A): N 127.000 127.000 127.763 -0.763 RESID 93 (A): C 175.700 175.700 176.685 -0.985 RESID 93 (A): CA 51.020 51.020 50.693 0.327 RESID 93 (A): CB 18.310 18.310 18.348 -0.038 RESID 93 (A): H 8.658 8.658 8.386 0.272 RESID 94 (D): N 122.900 122.900 121.770 1.130 RESID 94 (D): C 175.300 175.300 176.129 -0.829 RESID 94 (D): CA 53.910 53.910 55.144 -1.234 RESID 94 (D): CB 42.030 42.030 42.268 -0.238 RESID 94 (D): H 8.497 8.497 7.738 0.759 RESID 95 (S): N 110.300 110.300 112.211 -1.911 RESID 95 (S): C 171.600 171.600 173.074 -1.474 RESID 95 (S): CA 57.850 57.850 57.388 0.462 RESID 95 (S): CB 66.410 66.410 66.520 -0.110 RESID 95 (S): H 6.844 6.844 7.883 -1.039 RESID 96 (R): N 124.300 124.300 119.759 4.541 RESID 96 (R): C 173.700 173.700 173.859 -0.159 RESID 96 (R): CA 57.450 57.450 55.888 1.562 RESID 96 (R): CB 34.070 34.070 34.358 -0.288 RESID 96 (R): H 9.227 9.227 8.831 0.396 RESID 97 (L): N 124.100 124.100 125.123 -1.023 RESID 97 (L): C 177.600 177.600 175.928 1.672 RESID 97 (L): CA 54.150 54.150 53.787 0.363 RESID 97 (L): CB 42.640 42.640 44.398 -1.758 RESID 97 (L): H 9.343 9.343 8.048 1.295 RESID 98 (V): N 124.500 124.500 123.646 0.854 RESID 98 (V): C 175.700 175.700 174.990 0.710 RESID 98 (V): CA 61.770 61.770 60.850 0.920 RESID 98 (V): CB 32.950 32.950 32.474 0.476 RESID 98 (V): H 9.500 9.500 8.031 1.469 RESID 99 (V): N 116.800 116.800 122.196 -5.396 RESID 99 (V): C 174.600 174.600 173.859 0.741 RESID 99 (V): CA 58.190 58.190 58.479 -0.289 RESID 99 (V): CB 36.780 36.780 35.507 1.274 RESID 99 (V): H 9.192 9.192 8.091 1.101 RESID 100 (A): N 123.400 123.400 122.602 0.798 RESID 100 (A): C 179.200 179.200 178.436 0.764 RESID 100 (A): CA 52.690 52.690 50.643 2.047 RESID 100 (A): CB 18.160 18.160 19.966 -1.806 RESID 100 (A): H 9.043 9.043 8.366 0.677 RESID 101 (K): N 119.600 119.600 123.615 -4.015 RESID 101 (K): C 176.800 176.800 177.015 -0.215 RESID 101 (K): CA 59.360 59.360 58.971 0.389 RESID 101 (K): CB 31.380 31.380 31.893 -0.513 RESID 101 (K): H 7.840 7.840 8.914 -1.074 RESID 102 (N): N 114.400 114.400 115.609 -1.209 RESID 102 (N): C 175.500 175.500 175.245 0.255 RESID 102 (N): CA 52.330 52.330 54.600 -2.270 RESID 102 (N): CB 36.990 36.990 38.566 -1.576 RESID 102 (N): H 7.941 7.941 8.194 -0.253 RESID 103 (S): N 114.800 114.800 114.732 0.068 RESID 103 (S): C 176.000 176.000 173.292 2.708 RESID 103 (S): CA 58.180 58.180 57.483 0.697 RESID 103 (S): CB 64.310 64.310 63.918 0.392 RESID 103 (S): H 7.700 7.700 7.596 0.104 RESID 104 (D): N 128.500 128.500 129.262 -0.762 RESID 104 (D): C 176.700 176.700 175.169 1.531 RESID 104 (D): CA 52.990 52.990 54.014 -1.024 RESID 104 (D): CB 40.330 40.330 40.879 -0.549 RESID 104 (D): H 8.548 8.548 8.539 0.009 RESID 105 (I): N 122.800 122.800 124.753 -1.953 RESID 105 (I): C 173.800 173.800 174.608 -0.808 RESID 105 (I): CA 63.580 63.580 60.561 3.019 RESID 105 (I): CB 37.490 37.490 40.545 -3.055 RESID 105 (I): H 7.826 7.826 8.194 -0.368 RESID 106 (Q): N 124.600 124.600 125.012 -0.412 RESID 106 (Q): C 174.700 174.700 173.820 0.880 RESID 106 (Q): CA 51.380 51.380 52.081 -0.702 RESID 106 (Q): CB 31.050 31.050 29.891 1.159 RESID 106 (Q): H 8.174 8.174 8.494 -0.320 RESID 107 (P): C 175.300 175.300 175.795 -0.495 RESID 107 (P): CA 61.880 61.880 63.663 -1.783 RESID 107 (P): CB 26.860 26.860 31.024 -4.164 RESID 108 (T): N 114.600 114.600 117.719 -3.119 RESID 108 (T): C 174.000 174.000 174.384 -0.384 RESID 108 (T): CA 57.690 57.690 61.618 -3.929 RESID 108 (T): CB 71.020 71.020 71.978 -0.958 RESID 108 (T): H 8.531 8.531 7.670 0.861 RESID 109 (V): N 121.800 121.800 123.235 -1.435 RESID 109 (V): C 177.300 177.300 176.936 0.364 RESID 109 (V): CA 65.600 65.600 64.758 0.842 RESID 109 (V): CB 30.580 30.580 32.771 -2.191 RESID 109 (V): H 8.775 8.775 8.482 0.293 RESID 110 (E): N 116.900 116.900 120.822 -3.922 RESID 110 (E): C 178.400 178.400 178.671 -0.271 RESID 110 (E): CA 59.260 59.260 60.128 -0.868 RESID 110 (E): CB 28.170 28.170 29.047 -0.877 RESID 110 (E): H 8.414 8.414 8.388 0.026 RESID 111 (S): N 113.200 113.200 113.396 -0.196 RESID 111 (S): C 176.500 176.500 175.910 0.590 RESID 111 (S): CA 59.370 59.370 60.977 -1.607 RESID 111 (S): CB 63.730 63.730 62.512 1.218 RESID 111 (S): H 7.387 7.387 8.442 -1.055 RESID 112 (L): N 116.100 116.100 120.429 -4.329 RESID 112 (L): C 176.700 176.700 176.694 0.006 RESID 112 (L): CA 54.580 54.580 55.366 -0.786 RESID 112 (L): CB 42.650 42.650 42.555 0.095 RESID 112 (L): H 7.676 7.676 7.329 0.347 RESID 113 (K): N 121.000 121.000 119.198 1.802 RESID 113 (K): C 178.200 178.200 177.505 0.695 RESID 113 (K): CA 58.850 58.850 58.227 0.623 RESID 113 (K): CB 30.850 30.850 32.255 -1.405 RESID 113 (K): H 7.445 7.445 7.725 -0.280 RESID 114 (G): N 113.900 113.900 112.928 0.972 RESID 114 (G): C 174.200 174.200 174.794 -0.594 RESID 114 (G): CA 45.240 45.240 45.356 -0.116 RESID 114 (G): H 8.454 8.454 8.357 0.097 RESID 115 (K): N 120.600 120.600 121.725 -1.125 RESID 115 (K): C 174.800 174.800 176.112 -1.312 RESID 115 (K): CA 53.710 53.710 54.751 -1.041 RESID 115 (K): CB 31.990 31.990 33.284 -1.294 RESID 115 (K): H 8.530 8.530 7.870 0.660 RESID 116 (R): N 119.300 119.300 120.802 -1.502 RESID 116 (R): C 176.000 176.000 175.681 0.319 RESID 116 (R): CA 54.720 54.720 55.706 -0.986 RESID 116 (R): CB 32.310 32.310 31.735 0.575 RESID 116 (R): H 9.455 9.455 8.433 1.022 RESID 117 (V): N 126.100 126.100 123.086 3.014 RESID 117 (V): C 175.300 175.300 174.721 0.579 RESID 117 (V): CA 60.090 60.090 60.182 -0.092 RESID 117 (V): CB 33.620 33.620 35.949 -2.329 RESID 117 (V): H 9.217 9.217 8.587 0.630 RESID 118 (G): N 114.000 114.000 113.374 0.626 RESID 118 (G): C 172.300 172.300 172.592 -0.292 RESID 118 (G): CA 45.010 45.010 43.555 1.455 RESID 118 (G): H 9.367 9.367 8.029 1.338 RESID 119 (V): N 116.400 116.400 122.386 -5.986 RESID 119 (V): C 174.100 174.100 174.037 0.063 RESID 119 (V): CA 58.270 58.270 60.445 -2.175 RESID 119 (V): CB 36.370 36.370 36.993 -0.624 RESID 119 (V): H 9.166 9.166 9.303 -0.137 RESID 120 (L): N 124.400 124.400 124.137 0.263 RESID 120 (L): C 176.900 176.900 175.662 1.238 RESID 120 (L): CA 53.690 53.690 53.963 -0.273 RESID 120 (L): CB 41.240 41.240 42.651 -1.411 RESID 120 (L): H 8.961 8.961 8.825 0.136 RESID 121 (Q): N 128.000 128.000 127.173 0.827 RESID 121 (Q): C 176.900 176.900 177.240 -0.340 RESID 121 (Q): CA 56.680 56.680 57.101 -0.421 RESID 121 (Q): CB 27.920 27.920 29.532 -1.612 RESID 121 (Q): H 9.305 9.305 9.001 0.304 RESID 122 (G): N 113.600 113.600 113.569 0.031 RESID 122 (G): C 175.100 175.100 173.563 1.537 RESID 122 (G): CA 45.240 45.240 45.475 -0.235 RESID 122 (G): H 9.383 9.383 8.729 0.654 RESID 123 (T): N 108.400 108.400 110.094 -1.694 RESID 123 (T): C 176.800 176.800 174.385 2.415 RESID 123 (T): CA 60.260 60.260 59.991 0.269 RESID 123 (T): CB 73.530 73.530 70.641 2.889 RESID 123 (T): H 7.220 7.220 7.738 -0.518 RESID 124 (T): N 113.900 113.900 112.556 1.344 RESID 124 (T): C 178.100 178.100 176.536 1.564 RESID 124 (T): CA 63.990 63.990 64.717 -0.727 RESID 124 (T): CB 67.740 67.740 68.698 -0.958 RESID 124 (T): H 8.934 8.934 8.657 0.277 RESID 125 (Q): N 120.600 120.600 122.394 -1.794 RESID 125 (Q): C 178.300 178.300 178.103 0.197 RESID 125 (Q): CA 61.670 61.670 59.755 1.915 RESID 125 (Q): CB 25.310 25.310 28.043 -2.733 RESID 125 (Q): H 7.521 7.521 8.279 -0.758 RESID 126 (E): N 121.900 121.900 119.775 2.125 RESID 126 (E): C 177.600 177.600 178.899 -1.299 RESID 126 (E): CA 59.630 59.630 59.832 -0.202 RESID 126 (E): CB 28.730 28.730 29.640 -0.910 RESID 126 (E): H 7.717 7.717 7.806 -0.089 RESID 127 (T): N 117.800 117.800 116.234 1.566 RESID 127 (T): C 176.200 176.200 176.373 -0.173 RESID 127 (T): CA 66.340 66.340 66.827 -0.487 RESID 127 (T): CB 67.590 67.590 68.729 -1.139 RESID 127 (T): H 8.175 8.175 7.619 0.556 RESID 128 (F): N 121.900 121.900 121.978 -0.078 RESID 128 (F): C 178.000 178.000 177.536 0.464 RESID 128 (F): CA 61.590 61.590 60.733 0.857 RESID 128 (F): CB 38.810 38.810 38.923 -0.113 RESID 128 (F): H 8.882 8.882 8.616 0.266 RESID 129 (G): N 107.000 107.000 107.118 -0.118 RESID 129 (G): C 176.100 176.100 176.478 -0.378 RESID 129 (G): CA 46.690 46.690 47.218 -0.528 RESID 129 (G): H 8.900 8.900 9.160 -0.260 RESID 130 (N): N 123.000 123.000 118.436 4.564 RESID 130 (N): C 176.200 176.200 175.828 0.372 RESID 130 (N): CA 55.400 55.400 55.334 0.066 RESID 130 (N): CB 37.570 37.570 38.195 -0.625 RESID 130 (N): H 8.915 8.915 8.557 0.358 RESID 131 (E): N 119.000 119.000 116.730 2.270 RESID 131 (E): C 177.900 177.900 177.097 0.803 RESID 131 (E): CA 57.940 57.940 56.709 1.231 RESID 131 (E): CB 29.350 29.350 30.762 -1.413 RESID 131 (E): H 7.907 7.907 7.481 0.426 RESID 132 (H): N 112.600 112.600 118.638 -6.038 RESID 132 (H): C 175.900 175.900 175.555 0.345 RESID 132 (H): CA 56.910 56.910 58.786 -1.876 RESID 132 (H): CB 30.510 30.510 29.806 0.704 RESID 132 (H): H 7.877 7.877 7.882 -0.005 RESID 133 (W): N 119.300 119.300 117.440 1.860 RESID 133 (W): C 176.800 176.800 176.184 0.616 RESID 133 (W): CA 55.570 55.570 56.550 -0.980 RESID 133 (W): CB 30.400 30.400 29.740 0.660 RESID 133 (W): H 7.653 7.653 7.494 0.159 RESID 134 (A): N 125.400 125.400 124.643 0.757 RESID 134 (A): C 177.700 177.700 177.220 0.480 RESID 134 (A): CA 55.410 55.410 54.634 0.776 RESID 134 (A): CB 15.990 15.990 16.805 -0.815 RESID 134 (A): H 8.711 8.711 7.533 1.178 RESID 135 (P): C 177.200 177.200 177.238 -0.038 RESID 135 (P): CA 64.510 64.510 64.565 -0.055 RESID 135 (P): CB 30.800 30.800 30.983 -0.183 RESID 136 (K): N 115.800 115.800 116.463 -0.663 RESID 136 (K): C 176.500 176.500 177.541 -1.041 RESID 136 (K): CA 53.530 53.530 55.885 -2.355 RESID 136 (K): CB 31.430 31.430 31.866 -0.436 RESID 136 (K): H 7.665 7.665 8.103 -0.438 RESID 137 (G): N 106.100 106.100 108.356 -2.256 RESID 137 (G): C 174.300 174.300 173.517 0.783 RESID 137 (G): CA 45.740 45.740 45.379 0.361 RESID 137 (G): H 7.864 7.864 7.668 0.196 RESID 138 (I): N 124.400 124.400 119.351 5.049 RESID 138 (I): C 174.400 174.400 174.789 -0.389 RESID 138 (I): CA 60.460 60.460 60.101 0.359 RESID 138 (I): CB 38.080 38.080 39.874 -1.794 RESID 138 (I): H 6.889 6.889 7.481 -0.592 RESID 139 (E): N 128.400 128.400 127.252 1.148 RESID 139 (E): C 173.900 173.900 175.096 -1.196 RESID 139 (E): CA 56.050 56.050 55.597 0.452 RESID 139 (E): CB 29.490 29.490 31.236 -1.746 RESID 139 (E): H 8.230 8.230 8.330 -0.100 RESID 140 (I): N 129.500 129.500 121.614 7.886 RESID 140 (I): C 176.100 176.100 174.765 1.335 RESID 140 (I): CA 57.100 57.100 59.020 -1.920 RESID 140 (I): CB 34.440 34.440 40.611 -6.171 RESID 140 (I): H 8.642 8.642 8.353 0.289 RESID 141 (V): N 133.000 133.000 125.193 7.807 RESID 141 (V): C 174.400 174.400 174.467 -0.067 RESID 141 (V): CA 61.060 61.060 61.154 -0.093 RESID 141 (V): CB 32.410 32.410 36.082 -3.672 RESID 141 (V): H 9.387 9.387 8.936 0.451 RESID 142 (S): N 122.900 122.900 120.315 2.585 RESID 142 (S): C 175.000 175.000 173.536 1.464 RESID 142 (S): CA 57.710 57.710 57.338 0.372 RESID 142 (S): CB 63.710 63.710 63.792 -0.082 RESID 142 (S): H 8.490 8.490 8.429 0.061 RESID 143 (Y): N 123.400 123.400 126.153 -2.753 RESID 143 (Y): C 175.900 175.900 176.159 -0.259 RESID 143 (Y): CA 57.300 57.300 57.756 -0.456 RESID 143 (Y): CB 42.300 42.300 41.292 1.008 RESID 143 (Y): H 8.979 8.979 9.267 -0.288 RESID 144 (Q): N 119.500 119.500 120.123 -0.623 RESID 144 (Q): C 176.000 176.000 174.907 1.093 RESID 144 (Q): CA 56.490 56.490 55.916 0.574 RESID 144 (Q): CB 28.470 28.470 29.851 -1.381 RESID 144 (Q): H 8.974 8.974 8.743 0.231 RESID 145 (G): N 106.800 106.800 107.329 -0.529 RESID 145 (G): C 173.500 173.500 174.161 -0.661 RESID 145 (G): CA 44.300 44.300 44.324 -0.024 RESID 145 (G): H 7.531 7.531 7.861 -0.330 RESID 146 (Q): N 124.300 124.300 122.883 1.417 RESID 146 (Q): C 177.200 177.200 177.347 -0.147 RESID 146 (Q): CA 57.800 57.800 58.795 -0.995 RESID 146 (Q): CB 28.190 28.190 28.626 -0.436 RESID 146 (Q): H 8.949 8.949 8.860 0.089 RESID 147 (D): N 117.900 117.900 117.367 0.533 RESID 147 (D): C 178.900 178.900 178.249 0.651 RESID 147 (D): CA 56.650 56.650 57.289 -0.639 RESID 147 (D): CB 38.890 38.890 39.794 -0.904 RESID 147 (D): H 8.746 8.746 8.764 -0.018 RESID 148 (N): N 117.500 117.500 117.731 -0.231 RESID 148 (N): C 176.700 176.700 177.313 -0.613 RESID 148 (N): CA 55.160 55.160 55.603 -0.443 RESID 148 (N): CB 38.700 38.700 38.098 0.602 RESID 148 (N): H 7.496 7.496 8.560 -1.064 RESID 149 (I): N 120.000 120.000 119.872 0.128 RESID 149 (I): C 177.400 177.400 177.525 -0.125 RESID 149 (I): CA 64.450 64.450 65.060 -0.610 RESID 149 (I): CB 35.900 35.900 37.577 -1.677 RESID 149 (I): H 6.793 6.793 7.089 -0.296 RESID 150 (Y): N 117.400 117.400 118.217 -0.817 RESID 150 (Y): C 178.800 178.800 178.060 0.740 RESID 150 (Y): CA 59.730 59.730 61.673 -1.943 RESID 150 (Y): CB 35.970 35.970 37.646 -1.676 RESID 150 (Y): H 6.897 6.897 7.396 -0.499 RESID 151 (S): N 117.000 117.000 114.923 2.077 RESID 151 (S): C 177.000 177.000 177.013 -0.013 RESID 151 (S): CA 61.300 61.300 61.689 -0.389 RESID 151 (S): CB 62.100 62.100 62.223 -0.123 RESID 151 (S): H 8.186 8.186 8.236 -0.050 RESID 152 (D): N 122.300 122.300 123.213 -0.913 RESID 152 (D): C 179.000 179.000 178.344 0.656 RESID 152 (D): CA 56.580 56.580 56.873 -0.293 RESID 152 (D): CB 38.240 38.240 40.382 -2.142 RESID 152 (D): H 7.541 7.541 7.714 -0.173 RESID 153 (L): N 124.100 124.100 121.158 2.942 RESID 153 (L): C 180.300 180.300 178.533 1.767 RESID 153 (L): CA 58.160 58.160 57.546 0.614 RESID 153 (L): CB 41.630 41.630 41.824 -0.194 RESID 153 (L): H 8.372 8.372 7.865 0.507 RESID 154 (T): N 111.900 111.900 113.346 -1.446 RESID 154 (T): C 176.700 176.700 175.351 1.349 RESID 154 (T): CA 63.920 63.920 65.344 -1.423 RESID 154 (T): CB 68.700 68.700 69.004 -0.304 RESID 154 (T): H 8.389 8.389 8.318 0.071 RESID 155 (A): N 121.800 121.800 120.129 1.671 RESID 155 (A): C 178.200 178.200 178.039 0.161 RESID 155 (A): CA 51.640 51.640 52.318 -0.678 RESID 155 (A): CB 18.990 18.990 19.482 -0.492 RESID 155 (A): H 7.444 7.444 7.074 0.370 RESID 156 (G): N 107.800 107.800 107.133 0.667 RESID 156 (G): C 175.100 175.100 175.352 -0.252 RESID 156 (G): CA 45.420 45.420 45.175 0.245 RESID 156 (G): H 7.921 7.921 8.013 -0.092 RESID 157 (R): N 119.000 119.000 119.190 -0.190 RESID 157 (R): C 176.600 176.600 175.727 0.873 RESID 157 (R): CA 57.260 57.260 57.592 -0.332 RESID 157 (R): CB 30.400 30.400 30.764 -0.364 RESID 157 (R): H 8.443 8.443 8.133 0.310 RESID 158 (I): N 108.900 108.900 112.821 -3.921 RESID 158 (I): C 173.700 173.700 174.287 -0.587 RESID 158 (I): CA 59.900 59.900 59.208 0.692 RESID 158 (I): CB 40.070 40.070 41.075 -1.005 RESID 158 (I): H 7.109 7.109 7.121 -0.012 RESID 159 (D): N 119.100 119.100 123.827 -4.727 RESID 159 (D): C 174.700 174.700 175.665 -0.965 RESID 159 (D): CA 55.900 55.900 56.302 -0.402 RESID 159 (D): CB 43.630 43.630 41.698 1.932 RESID 159 (D): H 8.737 8.737 8.468 0.269 RESID 160 (A): N 116.400 116.400 116.424 -0.024 RESID 160 (A): C 174.900 174.900 174.319 0.581 RESID 160 (A): CA 50.190 50.190 51.482 -1.292 RESID 160 (A): CB 23.030 23.030 21.349 1.681 RESID 160 (A): H 7.702 7.702 7.165 0.537 RESID 161 (A): N 123.400 123.400 121.784 1.616 RESID 161 (A): C 175.500 175.500 175.677 -0.177 RESID 161 (A): CA 49.730 49.730 50.275 -0.545 RESID 161 (A): CB 21.110 21.110 21.610 -0.500 RESID 161 (A): H 8.915 8.915 7.992 0.923 RESID 162 (F): N 125.100 125.100 122.593 2.507 RESID 162 (F): C 172.900 172.900 174.994 -2.094 RESID 162 (F): CA 54.500 54.500 58.225 -3.725 RESID 162 (F): CB 39.400 39.400 38.808 0.592 RESID 162 (F): H 8.971 8.971 8.432 0.539 RESID 163 (Q): N 124.600 124.600 123.367 1.233 RESID 163 (Q): C 173.400 173.400 173.701 -0.301 RESID 163 (Q): CA 53.550 53.550 53.635 -0.085 RESID 163 (Q): CB 34.390 34.390 33.151 1.239 RESID 163 (Q): H 7.904 7.904 8.326 -0.422 RESID 164 (D): N 122.300 122.300 121.249 1.051 RESID 164 (D): C 175.800 175.800 177.243 -1.443 RESID 164 (D): CA 55.540 55.540 54.462 1.079 RESID 164 (D): CB 42.370 42.370 42.056 0.314 RESID 164 (D): H 8.304 8.304 8.441 -0.137 RESID 165 (E): N 128.600 128.600 122.841 5.759 RESID 165 (E): C 177.700 177.700 178.111 -0.411 RESID 165 (E): CA 60.230 60.230 60.125 0.105 RESID 165 (E): CB 30.020 30.020 29.823 0.197 RESID 165 (E): H 8.605 8.605 8.764 -0.159 RESID 166 (V): N 120.100 120.100 118.840 1.260 RESID 166 (V): C 178.300 178.300 177.269 1.031 RESID 166 (V): CA 66.800 66.800 66.683 0.117 RESID 166 (V): CB 30.070 30.070 30.253 -0.183 RESID 166 (V): H 8.748 8.748 8.186 0.562 RESID 167 (A): N 123.200 123.200 120.084 3.116 RESID 167 (A): C 182.500 182.500 179.094 3.406 RESID 167 (A): CA 54.980 54.980 54.713 0.267 RESID 167 (A): CB 17.910 17.910 18.036 -0.126 RESID 167 (A): H 8.655 8.655 7.902 0.753 RESID 168 (A): N 121.300 121.300 122.171 -0.871 RESID 168 (A): C 179.800 179.800 179.720 0.080 RESID 168 (A): CA 54.180 54.180 54.550 -0.370 RESID 168 (A): CB 18.750 18.750 18.425 0.325 RESID 168 (A): H 8.349 8.349 7.877 0.472 RESID 169 (S): N 113.400 113.400 114.278 -0.878 RESID 169 (S): C 175.700 175.700 176.255 -0.555 RESID 169 (S): CA 61.050 61.050 62.802 -1.752 RESID 169 (S): CB 63.050 63.050 62.564 0.486 RESID 169 (S): H 8.058 8.058 8.150 -0.092 RESID 170 (E): N 115.600 115.600 120.193 -4.593 RESID 170 (E): C 178.800 178.800 177.273 1.527 RESID 170 (E): CA 57.610 57.610 58.019 -0.409 RESID 170 (E): CB 29.790 29.790 29.059 0.731 RESID 170 (E): H 8.824 8.824 7.838 0.986 RESID 171 (G): N 103.400 103.400 104.768 -1.368 RESID 171 (G): C 173.700 173.700 174.957 -1.257 RESID 171 (G): CA 44.970 44.970 45.241 -0.271 RESID 171 (G): H 8.154 8.154 7.360 0.794 RESID 172 (F): N 120.100 120.100 122.869 -2.769 RESID 172 (F): C 175.200 175.200 177.641 -2.441 RESID 172 (F): CA 60.690 60.690 61.193 -0.503 RESID 172 (F): CB 40.740 40.740 38.949 1.791 RESID 172 (F): H 7.297 7.297 8.244 -0.947 RESID 173 (L): N 117.800 117.800 117.736 0.064 RESID 173 (L): C 179.000 179.000 178.294 0.706 RESID 173 (L): CA 57.670 57.670 56.864 0.806 RESID 173 (L): CB 40.020 40.020 41.829 -1.809 RESID 173 (L): H 8.470 8.470 7.522 0.948 RESID 174 (K): N 114.600 114.600 116.438 -1.838 RESID 174 (K): C 176.900 176.900 176.350 0.550 RESID 174 (K): CA 56.450 56.450 57.284 -0.834 RESID 174 (K): CB 31.770 31.770 32.654 -0.884 RESID 174 (K): H 8.018 8.018 7.557 0.461 RESID 175 (Q): N 118.800 118.800 117.073 1.727 RESID 175 (Q): C 176.000 176.000 173.940 2.060 RESID 175 (Q): CA 52.510 52.510 52.205 0.305 RESID 175 (Q): CB 26.740 26.740 29.772 -3.032 RESID 175 (Q): H 7.151 7.151 7.270 -0.119 RESID 176 (P): C 179.300 179.300 177.314 1.986 RESID 176 (P): CA 66.100 66.100 65.416 0.684 RESID 176 (P): CB 30.720 30.720 31.522 -0.802 RESID 177 (V): N 112.300 112.300 117.308 -5.008 RESID 177 (V): C 175.900 175.900 177.886 -1.986 RESID 177 (V): CA 62.860 62.860 65.941 -3.081 RESID 177 (V): CB 30.660 30.660 30.575 0.085 RESID 177 (V): H 7.480 7.480 7.677 -0.197 RESID 178 (G): N 109.700 109.700 105.772 3.928 RESID 178 (G): C 175.000 175.000 174.791 0.209 RESID 178 (G): CA 44.080 44.080 46.250 -2.170 RESID 178 (G): H 7.173 7.173 7.908 -0.735 RESID 179 (K): N 120.900 120.900 119.097 1.803 RESID 179 (K): C 177.100 177.100 177.688 -0.588 RESID 179 (K): CA 58.360 58.360 58.461 -0.101 RESID 179 (K): CB 31.260 31.260 32.281 -1.021 RESID 179 (K): H 6.972 6.972 7.432 -0.460 RESID 180 (D): N 117.200 117.200 117.346 -0.146 RESID 180 (D): C 173.900 173.900 175.873 -1.973 RESID 180 (D): CA 53.920 53.920 55.907 -1.987 RESID 180 (D): CB 39.690 39.690 41.371 -1.681 RESID 180 (D): H 8.036 8.036 7.456 0.580 RESID 181 (Y): N 120.500 120.500 114.945 5.555 RESID 181 (Y): C 172.300 172.300 173.490 -1.190 RESID 181 (Y): CA 57.890 57.890 57.744 0.146 RESID 181 (Y): CB 41.860 41.860 42.381 -0.521 RESID 181 (Y): H 7.768 7.768 7.447 0.321 RESID 182 (K): N 116.900 116.900 118.731 -1.831 RESID 182 (K): C 174.900 174.900 174.277 0.623 RESID 182 (K): CA 54.330 54.330 56.463 -2.133 RESID 182 (K): CB 35.610 35.610 33.319 2.291 RESID 182 (K): H 9.497 9.497 8.850 0.647 RESID 183 (F): N 117.900 117.900 122.208 -4.308 RESID 183 (F): C 177.800 177.800 175.028 2.772 RESID 183 (F): CA 56.780 56.780 58.082 -1.302 RESID 183 (F): CB 38.320 38.320 42.819 -4.499 RESID 183 (F): H 8.470 8.470 7.874 0.596 RESID 184 (G): N 113.700 113.700 109.351 4.349 RESID 184 (G): C 173.300 173.300 174.701 -1.401 RESID 184 (G): CA 46.900 46.900 45.029 1.871 RESID 184 (G): H 9.107 9.107 8.859 0.248 RESID 185 (G): N 111.000 111.000 110.208 0.792 RESID 185 (G): C 171.100 171.100 172.902 -1.802 RESID 185 (G): CA 44.530 44.530 45.571 -1.041 RESID 185 (G): H 7.702 7.702 8.489 -0.787 RESID 186 (P): C 175.500 175.500 176.193 -0.693 RESID 186 (P): CA 61.920 61.920 64.439 -2.519 RESID 186 (P): CB 32.640 32.640 31.864 0.776 RESID 187 (S): N 113.500 113.500 120.137 -6.637 RESID 187 (S): C 173.500 173.500 173.845 -0.345 RESID 187 (S): CA 57.930 57.930 57.478 0.452 RESID 187 (S): CB 63.260 63.260 65.650 -2.390 RESID 187 (S): H 8.452 8.452 8.335 0.117 RESID 188 (V): N 123.300 123.300 121.758 1.542 RESID 188 (V): C 173.900 173.900 173.628 0.272 RESID 188 (V): CA 61.800 61.800 62.332 -0.532 RESID 188 (V): CB 32.680 32.680 34.688 -2.008 RESID 188 (V): H 9.080 9.080 7.843 1.237 RESID 189 (K): N 125.200 125.200 122.409 2.791 RESID 189 (K): C 176.700 176.700 174.088 2.612 RESID 189 (K): CA 54.680 54.680 56.178 -1.498 RESID 189 (K): CB 33.780 33.780 34.708 -0.928 RESID 189 (K): H 8.123 8.123 8.128 -0.005 RESID 190 (D): N 120.300 120.300 122.105 -1.805 RESID 190 (D): C 175.300 175.300 176.882 -1.582 RESID 190 (D): CA 55.610 55.610 53.438 2.172 RESID 190 (D): CB 42.620 42.620 40.442 2.178 RESID 190 (D): H 8.823 8.823 8.287 0.536 RESID 191 (E): N 129.100 129.100 126.596 2.504 RESID 191 (E): C 177.300 177.300 177.579 -0.279 RESID 191 (E): CA 59.310 59.310 58.438 0.872 RESID 191 (E): CB 28.420 28.420 29.528 -1.108 RESID 191 (E): H 9.239 9.239 8.852 0.387 RESID 192 (K): N 118.000 118.000 119.301 -1.301 RESID 192 (K): C 178.200 178.200 178.051 0.149 RESID 192 (K): CA 58.140 58.140 58.919 -0.779 RESID 192 (K): CB 31.690 31.690 32.142 -0.452 RESID 192 (K): H 7.918 7.918 8.777 -0.859 RESID 193 (L): N 118.200 118.200 117.966 0.234 RESID 193 (L): C 177.700 177.700 177.598 0.102 RESID 193 (L): CA 55.790 55.790 56.891 -1.101 RESID 193 (L): CB 42.330 42.330 42.058 0.272 RESID 193 (L): H 8.362 8.362 7.137 1.225 RESID 194 (F): N 116.800 116.800 113.338 3.462 RESID 194 (F): C 178.200 178.200 175.849 2.351 RESID 194 (F): CA 54.620 54.620 57.444 -2.825 RESID 194 (F): CB 37.390 37.390 39.916 -2.526 RESID 194 (F): H 8.036 8.036 7.295 0.741 RESID 195 (G): N 106.900 106.900 108.861 -1.961 RESID 195 (G): C 174.200 174.200 174.560 -0.360 RESID 195 (G): CA 44.120 44.120 44.913 -0.793 RESID 195 (G): H 7.510 7.510 7.651 -0.141 RESID 196 (V): N 112.400 112.400 123.902 -11.502 RESID 196 (V): C 175.300 175.300 175.816 -0.516 RESID 196 (V): CA 60.720 60.720 63.995 -3.275 RESID 196 (V): CB 30.630 30.630 32.158 -1.528 RESID 196 (V): H 8.064 8.064 8.333 -0.269 RESID 197 (G): N 108.100 108.100 105.183 2.917 RESID 197 (G): C 172.300 172.300 172.008 0.292 RESID 197 (G): CA 43.210 43.210 45.268 -2.058 RESID 197 (G): H 7.788 7.788 7.253 0.535 RESID 198 (T): N 109.200 109.200 113.339 -4.139 RESID 198 (T): C 172.800 172.800 173.146 -0.346 RESID 198 (T): CA 59.090 59.090 59.339 -0.249 RESID 198 (T): CB 71.080 71.080 71.323 -0.243 RESID 198 (T): H 7.796 7.796 7.943 -0.147 RESID 199 (G): N 103.900 103.900 108.208 -4.308 RESID 199 (G): C 171.800 171.800 172.273 -0.473 RESID 199 (G): CA 43.840 43.840 45.635 -1.795 RESID 199 (G): H 7.928 7.928 7.858 0.070 RESID 200 (M): N 121.400 121.400 119.418 1.982 RESID 200 (M): C 176.200 176.200 176.042 0.158 RESID 200 (M): CA 55.260 55.260 54.828 0.432 RESID 200 (M): CB 33.390 33.390 35.597 -2.208 RESID 200 (M): H 7.971 7.971 8.215 -0.244 RESID 201 (G): N 112.200 112.200 110.367 1.833 RESID 201 (G): C 172.000 172.000 172.668 -0.668 RESID 201 (G): CA 44.540 44.540 44.292 0.248 RESID 201 (G): H 8.818 8.818 8.451 0.367 RESID 202 (L): N 124.700 124.700 124.897 -0.197 RESID 202 (L): C 176.000 176.000 175.936 0.064 RESID 202 (L): CA 53.740 53.740 52.843 0.897 RESID 202 (L): CB 46.010 46.010 46.024 -0.014 RESID 202 (L): H 8.767 8.767 8.668 0.099 RESID 203 (R): N 121.600 121.600 120.077 1.523 RESID 203 (R): C 180.400 180.400 177.912 2.488 RESID 203 (R): CA 57.130 57.130 55.450 1.680 RESID 203 (R): CB 29.650 29.650 31.295 -1.645 RESID 203 (R): H 10.270 10.270 8.125 2.145 RESID 204 (K): N 123.200 123.200 124.380 -1.180 RESID 204 (K): C 178.200 178.200 177.673 0.527 RESID 204 (K): CA 59.570 59.570 59.676 -0.106 RESID 204 (K): CB 31.840 31.840 32.152 -0.312 RESID 204 (K): H 9.231 9.231 8.671 0.560 RESID 205 (E): N 113.800 113.800 117.126 -3.326 RESID 205 (E): C 177.700 177.700 177.897 -0.197 RESID 205 (E): CA 57.230 57.230 58.222 -0.992 RESID 205 (E): CB 27.770 27.770 28.900 -1.130 RESID 205 (E): H 9.026 9.026 8.225 0.801 RESID 206 (D): N 126.000 126.000 120.882 5.118 RESID 206 (D): C 177.300 177.300 176.510 0.790 RESID 206 (D): CA 53.710 53.710 53.670 0.040 RESID 206 (D): CB 37.530 37.530 38.687 -1.157 RESID 206 (D): H 7.253 7.253 8.030 -0.777 RESID 207 (N): N 120.100 120.100 120.443 -0.343 RESID 207 (N): C 176.900 176.900 177.011 -0.111 RESID 207 (N): CA 56.950 56.950 56.441 0.509 RESID 207 (N): CB 38.820 38.820 38.893 -0.073 RESID 207 (N): H 7.839 7.839 8.719 -0.880 RESID 208 (E): N 120.500 120.500 118.970 1.530 RESID 208 (E): C 179.900 179.900 178.469 1.431 RESID 208 (E): CA 59.870 59.870 58.973 0.897 RESID 208 (E): CB 27.630 27.630 29.447 -1.817 RESID 208 (E): H 8.776 8.776 8.333 0.443 RESID 209 (L): N 122.900 122.900 120.442 2.458 RESID 209 (L): C 177.100 177.100 178.210 -1.110 RESID 209 (L): CA 57.400 57.400 57.543 -0.143 RESID 209 (L): CB 40.660 40.660 41.834 -1.174 RESID 209 (L): H 8.366 8.366 7.860 0.506 RESID 210 (R): N 119.100 119.100 118.763 0.337 RESID 210 (R): C 177.400 177.400 178.222 -0.822 RESID 210 (R): CA 59.970 59.970 59.742 0.228 RESID 210 (R): CB 30.110 30.110 30.024 0.086 RESID 210 (R): H 7.582 7.582 8.323 -0.741 RESID 211 (E): N 116.200 116.200 119.263 -3.063 RESID 211 (E): C 179.800 179.800 178.529 1.271 RESID 211 (E): CA 59.150 59.150 59.265 -0.115 RESID 211 (E): CB 28.600 28.600 29.593 -0.993 RESID 211 (E): H 8.407 8.407 7.808 0.599 RESID 212 (A): N 123.500 123.500 122.687 0.813 RESID 212 (A): C 181.300 181.300 179.663 1.637 RESID 212 (A): CA 54.810 54.810 54.724 0.086 RESID 212 (A): CB 17.170 17.170 18.132 -0.962 RESID 212 (A): H 8.128 8.128 7.639 0.489 RESID 213 (L): N 121.200 121.200 119.782 1.418 RESID 213 (L): C 178.400 178.400 179.445 -1.045 RESID 213 (L): CA 57.710 57.710 58.096 -0.386 RESID 213 (L): CB 41.450 41.450 41.206 0.244 RESID 213 (L): H 8.364 8.364 8.121 0.243 RESID 214 (N): N 119.200 119.200 116.502 2.698 RESID 214 (N): C 179.700 179.700 177.852 1.848 RESID 214 (N): CA 55.260 55.260 55.880 -0.620 RESID 214 (N): CB 37.120 37.120 37.922 -0.802 RESID 214 (N): H 8.435 8.435 8.336 0.099 RESID 215 (K): N 123.800 123.800 121.326 2.474 RESID 215 (K): C 178.400 178.400 178.519 -0.119 RESID 215 (K): CA 59.090 59.090 59.405 -0.315 RESID 215 (K): CB 31.740 31.740 32.486 -0.747 RESID 215 (K): H 8.080 8.080 8.457 -0.377 RESID 216 (A): N 122.200 122.200 121.755 0.445 RESID 216 (A): C 179.500 179.500 179.516 -0.016 RESID 216 (A): CA 54.140 54.140 54.885 -0.745 RESID 216 (A): CB 18.700 18.700 18.265 0.435 RESID 216 (A): H 7.935 7.935 8.226 -0.291 RESID 217 (F): N 119.500 119.500 120.136 -0.636 RESID 217 (F): C 177.200 177.200 176.982 0.218 RESID 217 (F): CA 61.390 61.390 60.294 1.096 RESID 217 (F): CB 38.000 38.000 39.069 -1.069 RESID 217 (F): H 8.916 8.916 8.343 0.573 RESID 218 (A): N 121.300 121.300 121.220 0.080 RESID 218 (A): C 182.100 182.100 179.674 2.426 RESID 218 (A): CA 54.810 54.810 55.211 -0.401 RESID 218 (A): CB 16.650 16.650 17.983 -1.333 RESID 218 (A): H 7.956 7.956 8.159 -0.203 RESID 219 (E): N 120.000 120.000 119.023 0.977 RESID 219 (E): C 178.600 178.600 179.006 -0.406 RESID 219 (E): CA 59.040 59.040 59.310 -0.270 RESID 219 (E): CB 28.320 28.320 29.478 -1.158 RESID 219 (E): H 7.952 7.952 7.846 0.106 RESID 220 (M): N 120.900 120.900 118.154 2.746 RESID 220 (M): C 179.000 179.000 178.533 0.467 RESID 220 (M): CA 57.430 57.430 59.486 -2.057 RESID 220 (M): CB 32.620 32.620 32.450 0.170 RESID 220 (M): H 8.190 8.190 8.053 0.137 RESID 221 (R): N 119.200 119.200 118.391 0.809 RESID 221 (R): C 179.300 179.300 178.893 0.407 RESID 221 (R): CA 58.710 58.710 58.934 -0.224 RESID 221 (R): CB 27.480 27.480 29.857 -2.377 RESID 221 (R): H 7.762 7.762 7.526 0.236 RESID 222 (A): N 122.500 122.500 122.113 0.387 RESID 222 (A): C 179.300 179.300 178.930 0.370 RESID 222 (A): CA 54.180 54.180 54.629 -0.449 RESID 222 (A): CB 18.030 18.030 18.547 -0.517 RESID 222 (A): H 7.838 7.838 7.752 0.086 RESID 223 (D): N 115.100 115.100 114.680 0.420 RESID 223 (D): C 177.900 177.900 177.266 0.634 RESID 223 (D): CA 53.020 53.020 53.140 -0.120 RESID 223 (D): CB 39.570 39.570 40.427 -0.857 RESID 223 (D): H 8.091 8.091 7.983 0.108 RESID 224 (G): N 106.700 106.700 108.856 -2.156 RESID 224 (G): C 176.000 176.000 176.001 -0.001 RESID 224 (G): CA 45.070 45.070 46.317 -1.247 RESID 224 (G): H 7.199 7.199 7.446 -0.247 RESID 225 (T): N 122.400 122.400 117.142 5.258 RESID 225 (T): C 175.700 175.700 175.308 0.392 RESID 225 (T): CA 67.610 67.610 67.858 -0.248 RESID 225 (T): CB 66.840 66.840 68.757 -1.917 RESID 225 (T): H 9.095 9.095 8.751 0.344 RESID 226 (Y): N 121.500 121.500 121.692 -0.192 RESID 226 (Y): C 176.000 176.000 176.903 -0.903 RESID 226 (Y): CA 62.530 62.530 62.361 0.169 RESID 226 (Y): CB 38.410 38.410 38.333 0.077 RESID 226 (Y): H 8.040 8.040 7.639 0.401 RESID 227 (E): N 118.200 118.200 118.709 -0.509 RESID 227 (E): C 178.200 178.200 178.693 -0.493 RESID 227 (E): CA 58.940 58.940 59.471 -0.531 RESID 227 (E): CB 28.810 28.810 29.122 -0.312 RESID 227 (E): H 8.153 8.153 8.588 -0.435 RESID 228 (K): N 119.100 119.100 120.419 -1.319 RESID 228 (K): C 179.500 179.500 179.056 0.444 RESID 228 (K): CA 59.260 59.260 59.498 -0.239 RESID 228 (K): CB 31.520 31.520 32.417 -0.897 RESID 228 (K): H 7.558 7.558 8.383 -0.825 RESID 229 (L): N 119.100 119.100 119.363 -0.263 RESID 229 (L): C 179.300 179.300 178.831 0.469 RESID 229 (L): CA 56.970 56.970 57.711 -0.741 RESID 229 (L): CB 41.520 41.520 41.850 -0.330 RESID 229 (L): H 8.055 8.055 8.064 -0.009 RESID 230 (A): N 121.200 121.200 122.131 -0.931 RESID 230 (A): C 180.500 180.500 179.254 1.246 RESID 230 (A): CA 54.890 54.890 55.547 -0.657 RESID 230 (A): CB 17.570 17.570 17.743 -0.173 RESID 230 (A): H 8.901 8.901 8.315 0.586 RESID 231 (K): N 117.200 117.200 117.987 -0.787 RESID 231 (K): C 177.700 177.700 178.148 -0.448 RESID 231 (K): CA 57.370 57.370 58.779 -1.409 RESID 231 (K): CB 31.330 31.330 32.362 -1.032 RESID 231 (K): H 8.062 8.062 8.075 -0.013 RESID 232 (K): N 117.600 117.600 116.715 0.885 RESID 232 (K): C 176.800 176.800 179.191 -2.391 RESID 232 (K): CA 57.890 57.890 58.642 -0.752 RESID 232 (K): CB 31.150 31.150 32.559 -1.409 RESID 232 (K): H 7.053 7.053 7.461 -0.408 RESID 233 (Y): N 114.000 114.000 117.056 -3.056 RESID 233 (Y): C 175.100 175.100 175.797 -0.697 RESID 233 (Y): CA 58.110 58.110 61.230 -3.120 RESID 233 (Y): CB 39.360 39.360 38.940 0.420 RESID 233 (Y): H 7.013 7.013 8.026 -1.013 RESID 234 (F): N 116.400 116.400 113.528 2.872 RESID 234 (F): C 175.800 175.800 173.440 2.360 RESID 234 (F): CA 54.920 54.920 56.672 -1.752 RESID 234 (F): CB 41.260 41.260 42.809 -1.549 RESID 234 (F): H 8.038 8.038 8.191 -0.153 RESID 235 (D): N 123.000 123.000 121.055 1.945 RESID 235 (D): C 174.500 174.500 174.843 -0.343 RESID 235 (D): CA 52.680 52.680 53.332 -0.652 RESID 235 (D): CB 39.860 39.860 39.446 0.414 RESID 235 (D): H 8.879 8.879 8.561 0.318 RESID 236 (F): N 115.500 115.500 120.734 -5.234 RESID 236 (F): C 173.600 173.600 173.641 -0.041 RESID 236 (F): CA 53.950 53.950 56.716 -2.766 RESID 236 (F): CB 39.860 39.860 39.742 0.118 RESID 236 (F): H 6.793 6.793 7.425 -0.632 RESID 237 (D): N 119.700 119.700 121.940 -2.240 RESID 237 (D): C 175.800 175.800 177.133 -1.333 RESID 237 (D): CA 52.980 52.980 52.669 0.311 RESID 237 (D): CB 39.210 39.210 41.894 -2.684 RESID 237 (D): H 8.831 8.831 8.628 0.203 RESID 238 (V): N 129.900 129.900 122.516 7.384 RESID 238 (V): C 175.200 175.200 176.688 -1.488 RESID 238 (V): CA 61.840 61.840 65.081 -3.241 RESID 238 (V): CB 32.500 32.500 31.909 0.591 RESID 238 (V): H 7.376 7.376 8.345 -0.969 RESID 239 (Y): N 123.500 123.500 119.183 4.317 RESID 239 (Y): C 176.500 176.500 178.500 -2.000 RESID 239 (Y): CA 61.920 61.920 61.133 0.787 RESID 239 (Y): CB 38.010 38.010 37.758 0.251 RESID 239 (Y): H 8.314 8.314 7.816 0.498 RESID 240 (G): N 104.100 104.100 104.366 -0.266 RESID 240 (G): C 174.600 174.600 174.904 -0.304 RESID 240 (G): CA 45.930 45.930 45.327 0.603 RESID 240 (G): H 7.428 7.428 8.429 -1.001 N HA C CA CB H RESID 6 (P): ----- ----- -0.725 -0.617 -0.728 ----- RESID 7 (Q): -0.375 ----- -0.430 -0.634 -0.634 -0.307 RESID 8 (N): 2.015 ----- -0.268 -0.643 -1.417 -0.336 RESID 9 (I): -1.662 ----- -0.216 -0.590 -0.572 -0.729 RESID 10 (R): -0.571 ----- 0.324 -1.400 -0.683 0.597 RESID 11 (I): 2.577 ----- 0.497 0.069 -4.170 0.191 RESID 12 (G): 0.531 ----- -1.324 0.245 ----- 0.846 RESID 13 (T): -1.009 ----- 8.521 -0.625 -1.764 0.623 RESID 14 (D): -0.796 ----- 2.870 -0.508 -1.752 -0.477 RESID 15 (P): ----- ----- -1.091 -1.400 -4.474 ----- RESID 16 (T): 5.408 ----- 0.746 -2.494 -1.179 0.428 RESID 17 (Y): 3.983 ----- -0.443 -1.984 0.140 0.864 RESID 18 (A): 2.442 ----- -0.462 -4.557 -0.180 0.026 RESID 19 (P): ----- ----- -4.318 -2.349 0.185 ----- RESID 20 (F): 7.726 ----- 1.607 2.747 -3.062 -0.126 RESID 21 (E): -2.748 ----- -0.835 -0.794 -5.393 -0.760 RESID 22 (S): 4.116 ----- -0.777 -1.298 -1.181 0.453 RESID 23 (K): -2.019 ----- 2.535 -1.635 -1.859 -0.003 RESID 24 (N): 1.504 ----- 0.964 -1.270 -1.983 0.002 RESID 25 (S): ----- ----- -0.040 0.071 -0.102 ----- RESID 26 (Q): -0.189 ----- -0.617 -0.486 -0.455 -0.849 RESID 27 (G): 1.138 ----- -0.368 -0.027 ----- 0.320 RESID 28 (E): 0.499 ----- 0.127 -1.478 -0.836 -0.221 RESID 29 (L): 2.280 ----- 1.048 0.490 -1.660 0.030 RESID 30 (V): -3.638 ----- 1.664 -1.655 -0.118 1.242 RESID 31 (G): -0.028 ----- 0.904 -1.333 ----- 1.182 RESID 32 (F): -2.608 ----- 2.017 -0.878 -0.320 0.176 RESID 33 (D): -2.611 ----- 1.048 -0.429 -1.661 1.585 RESID 34 (I): -0.860 ----- 0.260 -3.773 -4.211 -1.198 RESID 35 (D): 0.633 ----- 1.585 -0.355 0.088 0.726 RESID 36 (L): -0.400 ----- 0.502 -0.056 0.642 1.277 RESID 37 (A): -1.397 ----- -0.988 -0.053 -1.129 0.714 RESID 38 (K): -2.991 ----- 0.983 0.508 -0.549 0.605 RESID 39 (E): 2.025 ----- -1.069 -0.896 -1.509 -0.095 RESID 40 (L): 1.109 ----- -0.102 0.220 -1.511 0.728 RESID 41 (C): -2.721 ----- -1.667 -0.358 21.392 0.048 RESID 42 (K): -0.330 ----- 1.677 -0.636 -0.923 -0.542 RESID 43 (R): 1.548 ----- 0.033 0.303 -0.238 0.428 RESID 44 (I): -5.743 ----- -0.830 -2.113 -1.565 -0.642 RESID 45 (N): 3.070 ----- -0.351 -0.960 0.709 -0.305 RESID 46 (T): 7.022 ----- 0.260 -0.250 -1.373 0.005 RESID 47 (Q): 3.490 ----- 0.830 -0.550 -1.804 -0.327 RESID 48 (C): -0.623 ----- -0.589 -4.727 17.897 0.196 RESID 49 (T): -1.884 ----- 0.143 -1.046 -0.094 -0.484 RESID 50 (F): -2.147 ----- -0.152 -0.002 0.456 0.356 RESID 51 (V): 2.556 ----- -0.031 -0.021 -1.697 0.191 RESID 52 (E): -2.032 ----- 1.670 -2.781 -1.052 -0.157 RESID 53 (N): 6.445 ----- -1.813 -0.246 5.624 0.684 RESID 54 (P): ----- ----- -0.145 -0.696 -1.435 ----- RESID 55 (L): 0.049 ----- 0.880 -1.099 0.080 0.320 RESID 56 (D): -3.598 ----- -0.822 -0.784 -0.540 0.113 RESID 57 (A): 0.515 ----- 1.039 -2.158 -0.479 -0.228 RESID 58 (L): 1.120 ----- -0.970 0.849 -1.764 -0.327 RESID 59 (I): 0.092 ----- 1.261 1.625 -0.710 1.377 RESID 60 (P): ----- ----- 0.872 -0.632 -1.282 ----- RESID 61 (S): -0.080 ----- -1.181 0.336 ----- -0.326 RESID 62 (L): 3.106 ----- 2.033 -0.299 0.044 0.157 RESID 63 (K): 1.933 ----- 0.093 0.331 -1.707 0.680 RESID 64 (A): 0.009 ----- -0.475 -0.297 -0.448 -0.291 RESID 65 (K): -1.816 ----- -0.479 -0.188 -2.180 0.067 RESID 66 (K): 2.880 ----- -0.526 -1.256 -0.840 0.631 RESID 67 (I): -4.985 ----- -1.397 0.011 -0.573 -0.211 RESID 68 (D): -2.956 ----- -3.568 0.172 1.616 1.168 RESID 69 (A): -0.707 ----- 1.054 -1.052 -0.168 0.016 RESID 70 (I): -0.266 ----- 0.070 -0.587 0.178 1.352 RESID 71 (M): -1.125 ----- -1.412 -1.895 -0.633 0.169 RESID 72 (S): 2.103 ----- -0.987 0.946 -0.612 0.124 RESID 73 (S): 4.244 ----- -0.072 -1.170 0.130 -0.024 RESID 74 (L): -3.210 ----- -0.577 -1.105 -0.289 0.996 RESID 75 (S): 2.060 ----- 0.854 2.348 -1.745 0.243 RESID 76 (I): 9.420 ----- 1.044 1.679 -3.868 0.096 RESID 77 (T): 3.140 ----- -0.270 -2.215 -0.744 -1.012 RESID 78 (E): -0.355 ----- 1.605 -1.719 -0.644 0.025 RESID 79 (K): 0.068 ----- 1.560 -0.300 -0.689 0.052 RESID 80 (R): -0.352 ----- 0.144 0.366 0.313 0.277 RESID 81 (Q): -0.658 ----- -2.026 -1.476 0.304 0.137 RESID 82 (Q): -2.080 ----- -0.560 -1.062 -0.570 -0.613 RESID 83 (E): -2.150 ----- -0.894 -1.417 1.879 -0.304 RESID 84 (I): 3.214 ----- -1.338 0.484 -0.692 0.301 RESID 85 (A): 0.215 ----- -0.266 -1.131 0.872 0.285 RESID 86 (F): -3.617 ----- 2.985 -1.068 0.261 -0.332 RESID 87 (T): -6.779 ----- 0.910 0.777 2.652 -0.491 RESID 88 (D): -1.999 ----- -1.323 -0.747 1.053 -0.015 RESID 89 (K): 1.482 ----- -0.500 -1.702 0.324 -0.022 RESID 90 (L): -2.986 ----- 0.270 -2.868 -1.605 0.013 RESID 91 (Y): 0.480 ----- -1.079 0.533 -2.893 -0.378 RESID 92 (A): 0.547 ----- -1.169 0.846 0.720 -0.967 RESID 93 (A): -0.763 ----- -0.985 0.327 -0.038 0.272 RESID 94 (D): 1.130 ----- -0.829 -1.234 -0.238 0.759 RESID 95 (S): -1.911 ----- -1.474 0.462 -0.110 -1.039 RESID 96 (R): 4.541 ----- -0.159 1.562 -0.288 0.396 RESID 97 (L): -1.023 ----- 1.672 0.363 -1.758 1.295 RESID 98 (V): 0.854 ----- 0.710 0.920 0.476 1.469 RESID 99 (V): -5.396 ----- 0.741 -0.289 1.274 1.101 RESID 100 (A): 0.798 ----- 0.764 2.047 -1.806 0.677 RESID 101 (K): -4.015 ----- -0.215 0.389 -0.513 -1.074 RESID 102 (N): -1.209 ----- 0.255 -2.270 -1.576 -0.253 RESID 103 (S): 0.068 ----- 2.708 0.697 0.392 0.104 RESID 104 (D): -0.762 ----- 1.531 -1.024 -0.549 0.009 RESID 105 (I): -1.953 ----- -0.808 3.019 -3.055 -0.368 RESID 106 (Q): -0.412 ----- 0.880 -0.702 1.159 -0.320 RESID 107 (P): ----- ----- -0.495 -1.783 -4.164 ----- RESID 108 (T): -3.119 ----- -0.384 -3.929 -0.958 0.861 RESID 109 (V): -1.435 ----- 0.364 0.842 -2.191 0.293 RESID 110 (E): -3.922 ----- -0.271 -0.868 -0.877 0.026 RESID 111 (S): -0.196 ----- 0.590 -1.607 1.218 -1.055 RESID 112 (L): -4.329 ----- 0.006 -0.786 0.095 0.347 RESID 113 (K): 1.802 ----- 0.695 0.623 -1.405 -0.280 RESID 114 (G): 0.972 ----- -0.594 -0.116 ----- 0.097 RESID 115 (K): -1.125 ----- -1.312 -1.041 -1.294 0.660 RESID 116 (R): -1.502 ----- 0.319 -0.986 0.575 1.022 RESID 117 (V): 3.014 ----- 0.579 -0.092 -2.329 0.630 RESID 118 (G): 0.626 ----- -0.292 1.455 ----- 1.338 RESID 119 (V): -5.986 ----- 0.063 -2.175 -0.624 -0.137 RESID 120 (L): 0.263 ----- 1.238 -0.273 -1.411 0.136 RESID 121 (Q): 0.827 ----- -0.340 -0.421 -1.612 0.304 RESID 122 (G): 0.031 ----- 1.537 -0.235 ----- 0.654 RESID 123 (T): -1.694 ----- 2.415 0.269 2.889 -0.518 RESID 124 (T): 1.344 ----- 1.564 -0.727 -0.958 0.277 RESID 125 (Q): -1.794 ----- 0.197 1.915 -2.733 -0.758 RESID 126 (E): 2.125 ----- -1.299 -0.202 -0.910 -0.089 RESID 127 (T): 1.566 ----- -0.173 -0.487 -1.139 0.556 RESID 128 (F): -0.078 ----- 0.464 0.857 -0.113 0.266 RESID 129 (G): -0.118 ----- -0.378 -0.528 ----- -0.260 RESID 130 (N): 4.564 ----- 0.372 0.066 -0.625 0.358 RESID 131 (E): 2.270 ----- 0.803 1.231 -1.413 0.426 RESID 132 (H): -6.038 ----- 0.345 -1.876 0.704 -0.005 RESID 133 (W): 1.860 ----- 0.616 -0.980 0.660 0.159 RESID 134 (A): 0.757 ----- 0.480 0.776 -0.815 1.178 RESID 135 (P): ----- ----- -0.038 -0.055 -0.183 ----- RESID 136 (K): -0.663 ----- -1.041 -2.355 -0.436 -0.438 RESID 137 (G): -2.256 ----- 0.783 0.361 ----- 0.196 RESID 138 (I): 5.049 ----- -0.389 0.359 -1.794 -0.592 RESID 139 (E): 1.148 ----- -1.196 0.452 -1.746 -0.100 RESID 140 (I): 7.886 ----- 1.335 -1.920 -6.171 0.289 RESID 141 (V): 7.807 ----- -0.067 -0.093 -3.672 0.451 RESID 142 (S): 2.585 ----- 1.464 0.372 -0.082 0.061 RESID 143 (Y): -2.753 ----- -0.259 -0.456 1.008 -0.288 RESID 144 (Q): -0.623 ----- 1.093 0.574 -1.381 0.231 RESID 145 (G): -0.529 ----- -0.661 -0.024 ----- -0.330 RESID 146 (Q): 1.417 ----- -0.147 -0.995 -0.436 0.089 RESID 147 (D): 0.533 ----- 0.651 -0.639 -0.904 -0.018 RESID 148 (N): -0.231 ----- -0.613 -0.443 0.602 -1.064 RESID 149 (I): 0.128 ----- -0.125 -0.610 -1.677 -0.296 RESID 150 (Y): -0.817 ----- 0.740 -1.943 -1.676 -0.499 RESID 151 (S): 2.077 ----- -0.013 -0.389 -0.123 -0.050 RESID 152 (D): -0.913 ----- 0.656 -0.293 -2.142 -0.173 RESID 153 (L): 2.942 ----- 1.767 0.614 -0.194 0.507 RESID 154 (T): -1.446 ----- 1.349 -1.423 -0.304 0.071 RESID 155 (A): 1.671 ----- 0.161 -0.678 -0.492 0.370 RESID 156 (G): 0.667 ----- -0.252 0.245 ----- -0.092 RESID 157 (R): -0.190 ----- 0.873 -0.332 -0.364 0.310 RESID 158 (I): -3.921 ----- -0.587 0.692 -1.005 -0.012 RESID 159 (D): -4.727 ----- -0.965 -0.402 1.932 0.269 RESID 160 (A): -0.024 ----- 0.581 -1.292 1.681 0.537 RESID 161 (A): 1.616 ----- -0.177 -0.545 -0.500 0.923 RESID 162 (F): 2.507 ----- -2.094 -3.725 0.592 0.539 RESID 163 (Q): 1.233 ----- -0.301 -0.085 1.239 -0.422 RESID 164 (D): 1.051 ----- -1.443 1.079 0.314 -0.137 RESID 165 (E): 5.759 ----- -0.411 0.105 0.197 -0.159 RESID 166 (V): 1.260 ----- 1.031 0.117 -0.183 0.562 RESID 167 (A): 3.116 ----- 3.406 0.267 -0.126 0.753 RESID 168 (A): -0.871 ----- 0.080 -0.370 0.325 0.472 RESID 169 (S): -0.878 ----- -0.555 -1.752 0.486 -0.092 RESID 170 (E): -4.593 ----- 1.527 -0.409 0.731 0.986 RESID 171 (G): -1.368 ----- -1.257 -0.271 ----- 0.794 RESID 172 (F): -2.769 ----- -2.441 -0.503 1.791 -0.947 RESID 173 (L): 0.064 ----- 0.706 0.806 -1.809 0.948 RESID 174 (K): -1.838 ----- 0.550 -0.834 -0.884 0.461 RESID 175 (Q): 1.727 ----- 2.060 0.305 -3.032 -0.119 RESID 176 (P): ----- ----- 1.986 0.684 -0.802 ----- RESID 177 (V): -5.008 ----- -1.986 -3.081 0.085 -0.197 RESID 178 (G): 3.928 ----- 0.209 -2.170 ----- -0.735 RESID 179 (K): 1.803 ----- -0.588 -0.101 -1.021 -0.460 RESID 180 (D): -0.146 ----- -1.973 -1.987 -1.681 0.580 RESID 181 (Y): 5.555 ----- -1.190 0.146 -0.521 0.321 RESID 182 (K): -1.831 ----- 0.623 -2.133 2.291 0.647 RESID 183 (F): -4.308 ----- 2.772 -1.302 -4.499 0.596 RESID 184 (G): 4.349 ----- -1.401 1.871 ----- 0.248 RESID 185 (G): 0.792 ----- -1.802 -1.041 ----- -0.787 RESID 186 (P): ----- ----- -0.693 -2.519 0.776 ----- RESID 187 (S): -6.637 ----- -0.345 0.452 -2.390 0.117 RESID 188 (V): 1.542 ----- 0.272 -0.532 -2.008 1.237 RESID 189 (K): 2.791 ----- 2.612 -1.498 -0.928 -0.005 RESID 190 (D): -1.805 ----- -1.582 2.172 2.178 0.536 RESID 191 (E): 2.504 ----- -0.279 0.872 -1.108 0.387 RESID 192 (K): -1.301 ----- 0.149 -0.779 -0.452 -0.859 RESID 193 (L): 0.234 ----- 0.102 -1.101 0.272 1.225 RESID 194 (F): 3.462 ----- 2.351 -2.825 -2.526 0.741 RESID 195 (G): -1.961 ----- -0.360 -0.793 ----- -0.141 RESID 196 (V): -11.502 ----- -0.516 -3.275 -1.528 -0.269 RESID 197 (G): 2.917 ----- 0.292 -2.058 ----- 0.535 RESID 198 (T): -4.139 ----- -0.346 -0.249 -0.243 -0.147 RESID 199 (G): -4.308 ----- -0.473 -1.795 ----- 0.070 RESID 200 (M): 1.982 ----- 0.158 0.432 -2.208 -0.244 RESID 201 (G): 1.833 ----- -0.668 0.248 ----- 0.367 RESID 202 (L): -0.197 ----- 0.064 0.897 -0.014 0.099 RESID 203 (R): 1.523 ----- 2.488 1.680 -1.645 2.145 RESID 204 (K): -1.180 ----- 0.527 -0.106 -0.312 0.560 RESID 205 (E): -3.326 ----- -0.197 -0.992 -1.130 0.801 RESID 206 (D): 5.118 ----- 0.790 0.040 -1.157 -0.777 RESID 207 (N): -0.343 ----- -0.111 0.509 -0.073 -0.880 RESID 208 (E): 1.530 ----- 1.431 0.897 -1.817 0.443 RESID 209 (L): 2.458 ----- -1.110 -0.143 -1.174 0.506 RESID 210 (R): 0.337 ----- -0.822 0.228 0.086 -0.741 RESID 211 (E): -3.063 ----- 1.271 -0.115 -0.993 0.599 RESID 212 (A): 0.813 ----- 1.637 0.086 -0.962 0.489 RESID 213 (L): 1.418 ----- -1.045 -0.386 0.244 0.243 RESID 214 (N): 2.698 ----- 1.848 -0.620 -0.802 0.099 RESID 215 (K): 2.474 ----- -0.119 -0.315 -0.747 -0.377 RESID 216 (A): 0.445 ----- -0.016 -0.745 0.435 -0.291 RESID 217 (F): -0.636 ----- 0.218 1.096 -1.069 0.573 RESID 218 (A): 0.080 ----- 2.426 -0.401 -1.333 -0.203 RESID 219 (E): 0.977 ----- -0.406 -0.270 -1.158 0.106 RESID 220 (M): 2.746 ----- 0.467 -2.057 0.170 0.137 RESID 221 (R): 0.809 ----- 0.407 -0.224 -2.377 0.236 RESID 222 (A): 0.387 ----- 0.370 -0.449 -0.517 0.086 RESID 223 (D): 0.420 ----- 0.634 -0.120 -0.857 0.108 RESID 224 (G): -2.156 ----- -0.001 -1.247 ----- -0.247 RESID 225 (T): 5.258 ----- 0.392 -0.248 -1.917 0.344 RESID 226 (Y): -0.192 ----- -0.903 0.169 0.077 0.401 RESID 227 (E): -0.509 ----- -0.493 -0.531 -0.312 -0.435 RESID 228 (K): -1.319 ----- 0.444 -0.239 -0.897 -0.825 RESID 229 (L): -0.263 ----- 0.469 -0.741 -0.330 -0.009 RESID 230 (A): -0.931 ----- 1.246 -0.657 -0.173 0.586 RESID 231 (K): -0.787 ----- -0.448 -1.409 -1.032 -0.013 RESID 232 (K): 0.885 ----- -2.391 -0.752 -1.409 -0.408 RESID 233 (Y): -3.056 ----- -0.697 -3.120 0.420 -1.013 RESID 234 (F): 2.872 ----- 2.360 -1.752 -1.549 -0.153 RESID 235 (D): 1.945 ----- -0.343 -0.652 0.414 0.318 RESID 236 (F): -5.234 ----- -0.041 -2.766 0.118 -0.632 RESID 237 (D): -2.240 ----- -1.333 0.311 -2.684 0.203 RESID 238 (V): 7.384 ----- -1.488 -3.241 0.591 -0.969 RESID 239 (Y): 4.317 ----- -2.000 0.787 0.251 0.498 RESID 240 (G): -0.266 ----- -0.304 0.603 ----- -1.001 DATA CS_STAT_INFO N RMS: 2.903 ppm Count: 226 Average Difference: -0.146 +/- 2.905 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.288 ppm Count: 236 Average Difference: -0.119 +/- 1.285 ppm DATA CS_STAT_INFO CA RMS: 1.331 ppm Count: 236 Average Difference: 0.532 +/- 1.223 ppm DATA CS_STAT_INFO CB RMS: 2.463 ppm Count: 215 Average Difference: 0.522 +/- 2.412 ppm DATA CS_STAT_INFO HN RMS: 0.592 ppm Count: 226 Average Difference: -0.122 +/- 0.581 ppm ############################################################################ For conformer 11: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.237 0.063 RESID 5 (I): C 174.300 174.300 174.345 -0.045 RESID 5 (I): CA 57.710 57.710 59.872 -2.162 RESID 5 (I): CB 37.260 37.260 37.769 -0.509 RESID 5 (I): H 7.868 7.868 8.226 -0.358 RESID 6 (P): C 176.100 176.100 177.514 -1.414 RESID 6 (P): CA 62.180 62.180 62.992 -0.812 RESID 6 (P): CB 31.620 31.620 32.093 -0.473 RESID 7 (Q): N 119.200 119.200 121.122 -1.922 RESID 7 (Q): C 175.600 175.600 175.495 0.105 RESID 7 (Q): CA 57.190 57.190 58.272 -1.081 RESID 7 (Q): CB 28.500 28.500 29.210 -0.710 RESID 7 (Q): H 8.380 8.380 8.663 -0.283 RESID 8 (N): N 116.300 116.300 114.332 1.968 RESID 8 (N): C 173.600 173.600 173.882 -0.282 RESID 8 (N): CA 51.720 51.720 52.343 -0.623 RESID 8 (N): CB 40.540 40.540 41.965 -1.425 RESID 8 (N): H 7.472 7.472 7.803 -0.331 RESID 9 (I): N 121.000 121.000 122.873 -1.873 RESID 9 (I): C 174.700 174.700 174.931 -0.231 RESID 9 (I): CA 59.480 59.480 60.075 -0.595 RESID 9 (I): CB 39.740 39.740 40.176 -0.436 RESID 9 (I): H 8.416 8.416 9.143 -0.727 RESID 10 (R): N 126.500 126.500 127.131 -0.631 RESID 10 (R): C 175.800 175.800 175.532 0.268 RESID 10 (R): CA 53.950 53.950 55.422 -1.472 RESID 10 (R): CB 30.670 30.670 31.479 -0.808 RESID 10 (R): H 9.098 9.098 8.710 0.388 RESID 11 (I): N 127.500 127.500 124.573 2.927 RESID 11 (I): C 175.600 175.600 175.049 0.551 RESID 11 (I): CA 59.480 59.480 59.261 0.219 RESID 11 (I): CB 37.460 37.460 42.121 -4.661 RESID 11 (I): H 9.279 9.279 9.123 0.156 RESID 12 (G): N 114.800 114.800 113.715 1.085 RESID 12 (G): C 171.700 171.700 173.112 -1.412 RESID 12 (G): CA 44.540 44.540 44.302 0.238 RESID 12 (G): H 9.382 9.382 8.470 0.912 RESID 13 (T): N 120.600 120.600 122.023 -1.423 RESID 13 (T): C 181.600 181.600 173.247 8.353 RESID 13 (T): CA 61.470 61.470 61.775 -0.305 RESID 13 (T): CB 69.970 69.970 71.645 -1.675 RESID 13 (T): H 8.594 8.594 7.840 0.754 RESID 14 (D): N 127.000 127.000 127.572 -0.572 RESID 14 (D): C 177.500 177.500 174.516 2.984 RESID 14 (D): CA 49.760 49.760 50.114 -0.353 RESID 14 (D): CB 40.580 40.580 42.015 -1.435 RESID 14 (D): H 8.200 8.200 8.604 -0.404 RESID 15 (P): C 175.400 175.400 176.453 -1.053 RESID 15 (P): CA 61.920 61.920 63.275 -1.355 RESID 15 (P): CB 27.890 27.890 32.400 -4.510 RESID 16 (T): N 116.200 116.200 110.838 5.362 RESID 16 (T): C 174.000 174.000 173.410 0.590 RESID 16 (T): CA 59.560 59.560 62.076 -2.516 RESID 16 (T): CB 68.650 68.650 69.756 -1.106 RESID 16 (T): H 8.739 8.739 8.262 0.477 RESID 17 (Y): N 125.800 125.800 121.861 3.939 RESID 17 (Y): C 175.200 175.200 175.575 -0.375 RESID 17 (Y): CA 54.180 54.180 56.157 -1.977 RESID 17 (Y): CB 38.700 38.700 38.566 0.134 RESID 17 (Y): H 8.943 8.943 8.049 0.894 RESID 18 (A): N 132.100 132.100 129.655 2.445 RESID 18 (A): C 176.000 176.000 176.478 -0.478 RESID 18 (A): CA 51.490 51.490 56.076 -4.586 RESID 18 (A): CB 16.070 16.070 16.295 -0.225 RESID 18 (A): H 8.945 8.945 8.918 0.027 RESID 19 (P): C 173.500 173.500 177.456 -3.956 RESID 19 (P): CA 62.890 62.890 65.238 -2.348 RESID 19 (P): CB 31.790 31.790 31.621 0.169 RESID 20 (F): N 125.100 125.100 117.925 7.175 RESID 20 (F): C 176.700 176.700 175.064 1.636 RESID 20 (F): CA 62.420 62.420 59.634 2.786 RESID 20 (F): CB 37.980 37.980 41.303 -3.323 RESID 20 (F): H 8.117 8.117 8.327 -0.210 RESID 21 (E): N 111.800 111.800 114.354 -2.554 RESID 21 (E): C 173.600 173.600 174.442 -0.842 RESID 21 (E): CA 54.400 54.400 55.334 -0.934 RESID 21 (E): CB 28.770 28.770 34.180 -5.410 RESID 21 (E): H 7.701 7.701 8.632 -0.931 RESID 22 (S): N 117.200 117.200 112.921 4.279 RESID 22 (S): C 171.500 171.500 172.282 -0.782 RESID 22 (S): CA 57.290 57.290 58.569 -1.279 RESID 22 (S): CB 62.940 62.940 64.068 -1.128 RESID 22 (S): H 8.750 8.750 8.284 0.466 RESID 23 (K): N 117.400 117.400 119.426 -2.026 RESID 23 (K): C 177.600 177.600 175.034 2.566 RESID 23 (K): CA 53.700 53.700 55.306 -1.606 RESID 23 (K): CB 33.330 33.330 35.037 -1.707 RESID 23 (K): H 8.238 8.238 8.248 -0.010 RESID 24 (N): N 122.400 122.400 121.132 1.268 RESID 24 (N): C 178.000 178.000 177.067 0.933 RESID 24 (N): CA 50.600 50.600 52.166 -1.565 RESID 24 (N): CB 38.140 38.140 39.991 -1.851 RESID 24 (N): H 8.584 8.584 8.771 -0.187 RESID 25 (S): C 175.400 175.400 175.381 0.019 RESID 25 (S): CA 60.970 60.970 60.957 0.013 RESID 25 (S): CB 62.410 62.410 62.537 -0.127 RESID 26 (Q): N 119.300 119.300 119.496 -0.196 RESID 26 (Q): C 176.200 176.200 176.773 -0.573 RESID 26 (Q): CA 55.180 55.180 55.553 -0.373 RESID 26 (Q): CB 28.260 28.260 28.710 -0.450 RESID 26 (Q): H 7.520 7.520 7.862 -0.342 RESID 27 (G): N 108.800 108.800 107.675 1.125 RESID 27 (G): C 173.700 173.700 174.108 -0.408 RESID 27 (G): CA 45.050 45.050 45.068 -0.018 RESID 27 (G): H 8.169 8.169 7.906 0.263 RESID 28 (E): N 121.200 121.200 120.695 0.505 RESID 28 (E): C 175.800 175.800 175.577 0.223 RESID 28 (E): CA 54.490 54.490 55.836 -1.346 RESID 28 (E): CB 29.750 29.750 30.696 -0.946 RESID 28 (E): H 7.836 7.836 8.061 -0.225 RESID 29 (L): N 123.500 123.500 120.395 3.105 RESID 29 (L): C 176.400 176.400 175.176 1.224 RESID 29 (L): CA 54.310 54.310 53.794 0.516 RESID 29 (L): CB 41.180 41.180 43.408 -2.228 RESID 29 (L): H 8.281 8.281 8.244 0.037 RESID 30 (V): N 118.200 118.200 121.525 -3.325 RESID 30 (V): C 175.300 175.300 173.617 1.683 RESID 30 (V): CA 58.360 58.360 59.862 -1.502 RESID 30 (V): CB 36.080 36.080 35.907 0.173 RESID 30 (V): H 8.900 8.900 7.678 1.222 RESID 31 (G): N 109.800 109.800 110.480 -0.680 RESID 31 (G): C 174.400 174.400 173.424 0.976 RESID 31 (G): CA 43.830 43.830 45.175 -1.345 RESID 31 (G): H 8.611 8.611 7.466 1.145 RESID 32 (F): N 119.900 119.900 122.184 -2.284 RESID 32 (F): C 177.900 177.900 176.021 1.879 RESID 32 (F): CA 59.800 59.800 60.542 -0.742 RESID 32 (F): CB 38.950 38.950 39.342 -0.392 RESID 32 (F): H 8.295 8.295 8.247 0.048 RESID 33 (D): N 116.500 116.500 119.148 -2.648 RESID 33 (D): C 179.100 179.100 178.044 1.056 RESID 33 (D): CA 56.180 56.180 56.742 -0.562 RESID 33 (D): CB 38.610 38.610 40.369 -1.759 RESID 33 (D): H 8.935 8.935 7.350 1.585 RESID 34 (I): N 118.800 118.800 119.632 -0.832 RESID 34 (I): C 178.000 178.000 177.733 0.267 RESID 34 (I): CA 60.950 60.950 64.748 -3.798 RESID 34 (I): CB 33.620 33.620 37.774 -4.154 RESID 34 (I): H 6.535 6.535 7.748 -1.213 RESID 35 (D): N 121.000 121.000 119.632 1.368 RESID 35 (D): C 180.300 180.300 178.420 1.880 RESID 35 (D): CA 57.100 57.100 57.487 -0.387 RESID 35 (D): CB 40.420 40.420 40.374 0.046 RESID 35 (D): H 8.536 8.536 7.924 0.612 RESID 36 (L): N 120.500 120.500 120.896 -0.396 RESID 36 (L): C 178.500 178.500 177.982 0.518 RESID 36 (L): CA 57.720 57.720 57.779 -0.059 RESID 36 (L): CB 42.230 42.230 41.568 0.662 RESID 36 (L): H 8.508 8.508 7.226 1.282 RESID 37 (A): N 120.200 120.200 121.848 -1.648 RESID 37 (A): C 178.600 178.600 179.553 -0.953 RESID 37 (A): CA 55.170 55.170 55.297 -0.127 RESID 37 (A): CB 17.340 17.340 18.460 -1.120 RESID 37 (A): H 8.383 8.383 7.660 0.723 RESID 38 (K): N 116.400 116.400 119.294 -2.894 RESID 38 (K): C 180.100 180.100 179.153 0.947 RESID 38 (K): CA 60.530 60.530 60.050 0.480 RESID 38 (K): CB 31.840 31.840 32.343 -0.503 RESID 38 (K): H 8.780 8.780 8.180 0.600 RESID 39 (E): N 121.500 121.500 119.327 2.173 RESID 39 (E): C 178.300 178.300 179.380 -1.080 RESID 39 (E): CA 58.430 58.430 59.316 -0.886 RESID 39 (E): CB 27.990 27.990 29.502 -1.512 RESID 39 (E): H 7.692 7.692 7.776 -0.084 RESID 40 (L): N 121.500 121.500 120.412 1.088 RESID 40 (L): C 178.700 178.700 178.832 -0.132 RESID 40 (L): CA 58.490 58.490 58.274 0.216 RESID 40 (L): CB 40.250 40.250 41.771 -1.521 RESID 40 (L): H 8.563 8.563 7.869 0.694 RESID 41 (C): N 115.700 115.700 118.463 -2.763 RESID 41 (C): C 175.800 175.800 177.481 -1.681 RESID 41 (C): CA 62.390 62.390 62.740 -0.350 RESID 41 (C): CB 46.860 46.860 25.451 21.410 RESID 41 (C): H 8.598 8.598 8.733 -0.135 RESID 42 (K): N 119.300 119.300 119.689 -0.389 RESID 42 (K): C 180.800 180.800 179.117 1.683 RESID 42 (K): CA 58.810 58.810 59.452 -0.642 RESID 42 (K): CB 31.430 31.430 32.361 -0.930 RESID 42 (K): H 7.490 7.490 8.083 -0.593 RESID 43 (R): N 119.500 119.500 117.948 1.552 RESID 43 (R): C 178.700 178.700 178.672 0.028 RESID 43 (R): CA 58.760 58.760 58.458 0.302 RESID 43 (R): CB 29.980 29.980 30.221 -0.241 RESID 43 (R): H 8.057 8.057 7.612 0.445 RESID 44 (I): N 111.800 111.800 117.530 -5.730 RESID 44 (I): C 175.000 175.000 175.848 -0.848 RESID 44 (I): CA 60.940 60.940 63.082 -2.142 RESID 44 (I): CB 36.630 36.630 38.209 -1.579 RESID 44 (I): H 7.765 7.765 8.422 -0.657 RESID 45 (N): N 118.800 118.800 115.721 3.079 RESID 45 (N): C 173.600 173.600 173.938 -0.338 RESID 45 (N): CA 53.670 53.670 54.628 -0.958 RESID 45 (N): CB 36.620 36.620 35.925 0.695 RESID 45 (N): H 7.752 7.752 8.094 -0.342 RESID 46 (T): N 112.800 112.800 105.748 7.052 RESID 46 (T): C 173.100 173.100 172.825 0.275 RESID 46 (T): CA 60.020 60.020 60.287 -0.267 RESID 46 (T): CB 70.500 70.500 71.855 -1.355 RESID 46 (T): H 7.920 7.920 7.941 -0.021 RESID 47 (Q): N 123.500 123.500 119.978 3.522 RESID 47 (Q): C 175.400 175.400 174.586 0.814 RESID 47 (Q): CA 54.550 54.550 55.102 -0.552 RESID 47 (Q): CB 28.670 28.670 30.515 -1.845 RESID 47 (Q): H 8.037 8.037 8.324 -0.287 RESID 48 (C): N 123.800 123.800 124.292 -0.492 RESID 48 (C): C 173.800 173.800 174.380 -0.580 RESID 48 (C): CA 53.170 53.170 57.883 -4.713 RESID 48 (C): CB 47.290 47.290 29.360 17.930 RESID 48 (C): H 8.881 8.881 8.673 0.208 RESID 49 (T): N 118.600 118.600 120.565 -1.965 RESID 49 (T): C 172.700 172.700 172.500 0.200 RESID 49 (T): CA 60.210 60.210 61.254 -1.044 RESID 49 (T): CB 70.980 70.980 71.027 -0.047 RESID 49 (T): H 8.324 8.324 8.898 -0.574 RESID 50 (F): N 123.800 123.800 125.839 -2.039 RESID 50 (F): C 175.800 175.800 175.909 -0.109 RESID 50 (F): CA 57.370 57.370 57.211 0.159 RESID 50 (F): CB 40.730 40.730 40.429 0.301 RESID 50 (F): H 8.982 8.982 8.596 0.386 RESID 51 (V): N 126.300 126.300 123.402 2.898 RESID 51 (V): C 174.700 174.700 174.686 0.014 RESID 51 (V): CA 60.650 60.650 60.658 -0.008 RESID 51 (V): CB 33.700 33.700 35.500 -1.800 RESID 51 (V): H 9.271 9.271 9.053 0.218 RESID 52 (E): N 126.900 126.900 128.807 -1.907 RESID 52 (E): C 176.900 176.900 175.208 1.692 RESID 52 (E): CA 54.480 54.480 57.178 -2.698 RESID 52 (E): CB 29.350 29.350 30.437 -1.087 RESID 52 (E): H 8.617 8.617 8.767 -0.150 RESID 53 (N): N 127.100 127.100 120.551 6.549 RESID 53 (N): C 170.600 170.600 172.603 -2.003 RESID 53 (N): CA 51.220 51.220 51.538 -0.317 RESID 53 (N): CB 43.980 43.980 38.385 5.595 RESID 53 (N): H 8.917 8.917 8.227 0.690 RESID 54 (P): C 178.600 178.600 178.768 -0.168 RESID 54 (P): CA 61.650 61.650 62.298 -0.648 RESID 54 (P): CB 31.460 31.460 32.913 -1.454 RESID 55 (L): N 124.200 124.200 124.250 -0.050 RESID 55 (L): C 179.600 179.600 178.712 0.888 RESID 55 (L): CA 58.130 58.130 59.198 -1.068 RESID 55 (L): CB 41.470 41.470 41.399 0.071 RESID 55 (L): H 9.096 9.096 8.796 0.300 RESID 56 (D): N 115.400 115.400 119.061 -3.661 RESID 56 (D): C 176.500 176.500 177.324 -0.824 RESID 56 (D): CA 56.080 56.080 56.853 -0.773 RESID 56 (D): CB 39.640 39.640 40.173 -0.533 RESID 56 (D): H 8.651 8.651 8.521 0.130 RESID 57 (A): N 120.400 120.400 119.943 0.457 RESID 57 (A): C 180.000 180.000 178.947 1.053 RESID 57 (A): CA 51.440 51.440 53.640 -2.200 RESID 57 (A): CB 19.170 19.170 19.641 -0.471 RESID 57 (A): H 8.079 8.079 8.358 -0.279 RESID 58 (L): N 122.300 122.300 121.068 1.232 RESID 58 (L): C 177.800 177.800 178.766 -0.966 RESID 58 (L): CA 58.960 58.960 58.041 0.919 RESID 58 (L): CB 40.150 40.150 41.874 -1.724 RESID 58 (L): H 7.783 7.783 8.064 -0.281 RESID 59 (I): N 119.600 119.600 119.544 0.056 RESID 59 (I): C 176.400 176.400 175.169 1.231 RESID 59 (I): CA 68.170 68.170 66.542 1.628 RESID 59 (I): CB 33.980 33.980 34.678 -0.698 RESID 59 (I): H 9.094 9.094 7.773 1.321 RESID 60 (P): C 180.100 180.100 179.222 0.878 RESID 60 (P): CA 65.890 65.890 66.530 -0.640 RESID 60 (P): CB 29.980 29.980 31.247 -1.267 RESID 61 (S): N 114.800 114.800 114.883 -0.083 RESID 61 (S): C 175.500 175.500 176.703 -1.203 RESID 61 (S): CA 62.170 62.170 61.821 0.349 RESID 61 (S): H 7.865 7.865 8.225 -0.360 RESID 62 (L): N 126.200 126.200 123.004 3.196 RESID 62 (L): C 181.000 181.000 178.992 2.008 RESID 62 (L): CA 57.400 57.400 57.729 -0.329 RESID 62 (L): CB 41.820 41.820 41.787 0.033 RESID 62 (L): H 8.296 8.296 8.132 0.164 RESID 63 (K): N 121.000 121.000 119.111 1.889 RESID 63 (K): C 178.000 178.000 177.907 0.093 RESID 63 (K): CA 59.500 59.500 59.173 0.327 RESID 63 (K): CB 30.770 30.770 32.497 -1.727 RESID 63 (K): H 8.461 8.461 7.758 0.703 RESID 64 (A): N 118.700 118.700 118.675 0.025 RESID 64 (A): C 176.200 176.200 176.669 -0.469 RESID 64 (A): CA 51.680 51.680 51.986 -0.306 RESID 64 (A): CB 18.140 18.140 18.595 -0.455 RESID 64 (A): H 7.686 7.686 7.943 -0.257 RESID 65 (K): N 112.200 112.200 114.034 -1.834 RESID 65 (K): C 176.000 176.000 176.468 -0.468 RESID 65 (K): CA 57.800 57.800 57.973 -0.173 RESID 65 (K): CB 27.730 27.730 29.913 -2.183 RESID 65 (K): H 7.751 7.751 7.665 0.086 RESID 66 (K): N 118.300 118.300 115.419 2.881 RESID 66 (K): C 176.600 176.600 177.133 -0.533 RESID 66 (K): CA 57.200 57.200 58.438 -1.238 RESID 66 (K): CB 32.170 32.170 33.007 -0.837 RESID 66 (K): H 8.415 8.415 7.812 0.603 RESID 67 (I): N 107.500 107.500 112.450 -4.950 RESID 67 (I): C 174.000 174.000 175.400 -1.400 RESID 67 (I): CA 59.050 59.050 59.007 0.043 RESID 67 (I): CB 40.470 40.470 41.047 -0.577 RESID 67 (I): H 7.034 7.034 7.263 -0.229 RESID 68 (D): N 119.000 119.000 121.786 -2.786 RESID 68 (D): C 172.200 172.200 175.783 -3.583 RESID 68 (D): CA 55.560 55.560 55.452 0.108 RESID 68 (D): CB 44.210 44.210 42.523 1.687 RESID 68 (D): H 9.739 9.739 8.555 1.184 RESID 69 (A): N 117.400 117.400 117.861 -0.461 RESID 69 (A): C 175.900 175.900 174.851 1.049 RESID 69 (A): CA 50.120 50.120 51.204 -1.084 RESID 69 (A): CB 21.960 21.960 22.029 -0.069 RESID 69 (A): H 7.660 7.660 7.642 0.018 RESID 70 (I): N 120.500 120.500 120.478 0.022 RESID 70 (I): C 174.500 174.500 174.379 0.121 RESID 70 (I): CA 60.060 60.060 60.673 -0.613 RESID 70 (I): CB 41.190 41.190 40.919 0.271 RESID 70 (I): H 9.402 9.402 8.034 1.368 RESID 71 (M): N 128.300 128.300 129.390 -1.090 RESID 71 (M): C 172.500 172.500 173.857 -1.357 RESID 71 (M): CA 53.040 53.040 54.932 -1.892 RESID 71 (M): CB 33.940 33.940 34.520 -0.580 RESID 71 (M): H 8.431 8.431 8.239 0.192 RESID 72 (S): N 122.700 122.700 121.313 1.387 RESID 72 (S): C 172.800 172.800 173.541 -0.741 RESID 72 (S): CA 57.630 57.630 57.030 0.600 RESID 72 (S): CB 64.590 64.590 65.050 -0.460 RESID 72 (S): H 8.717 8.717 8.552 0.165 RESID 73 (S): N 120.600 120.600 115.876 4.724 RESID 73 (S): C 174.900 174.900 175.242 -0.342 RESID 73 (S): CA 58.590 58.590 59.588 -0.998 RESID 73 (S): CB 62.920 62.920 63.050 -0.130 RESID 73 (S): H 8.570 8.570 8.704 -0.135 RESID 74 (L): N 120.700 120.700 123.699 -2.999 RESID 74 (L): C 175.300 175.300 175.926 -0.626 RESID 74 (L): CA 54.320 54.320 55.399 -1.079 RESID 74 (L): CB 42.350 42.350 42.841 -0.491 RESID 74 (L): H 8.678 8.678 7.550 1.128 RESID 75 (S): N 122.000 122.000 119.878 2.122 RESID 75 (S): C 174.500 174.500 173.693 0.807 RESID 75 (S): CA 59.250 59.250 57.005 2.245 RESID 75 (S): CB 63.060 63.060 64.789 -1.729 RESID 75 (S): H 8.142 8.142 7.889 0.253 RESID 76 (I): N 125.200 125.200 115.712 9.488 RESID 76 (I): C 175.500 175.500 174.558 0.942 RESID 76 (I): CA 61.340 61.340 59.573 1.767 RESID 76 (I): CB 35.790 35.790 39.681 -3.892 RESID 76 (I): H 8.307 8.307 8.303 0.004 RESID 77 (T): N 116.600 116.600 113.521 3.079 RESID 77 (T): C 174.800 174.800 175.069 -0.269 RESID 77 (T): CA 57.760 57.760 59.990 -2.230 RESID 77 (T): CB 71.570 71.570 72.300 -0.730 RESID 77 (T): H 6.513 6.513 7.538 -1.025 RESID 78 (E): N 124.500 124.500 124.943 -0.443 RESID 78 (E): C 179.500 179.500 177.886 1.614 RESID 78 (E): CA 59.140 59.140 60.873 -1.732 RESID 78 (E): CB 28.630 28.630 29.273 -0.643 RESID 78 (E): H 8.935 8.935 8.899 0.036 RESID 79 (K): N 118.400 118.400 118.302 0.098 RESID 79 (K): C 180.600 180.600 179.029 1.571 RESID 79 (K): CA 58.890 58.890 59.191 -0.301 RESID 79 (K): CB 31.610 31.610 32.300 -0.690 RESID 79 (K): H 8.415 8.415 8.370 0.045 RESID 80 (R): N 118.500 118.500 118.829 -0.329 RESID 80 (R): C 179.100 179.100 178.958 0.142 RESID 80 (R): CA 59.580 59.580 59.203 0.377 RESID 80 (R): CB 30.380 30.380 30.073 0.307 RESID 80 (R): H 7.678 7.678 7.399 0.279 RESID 81 (Q): N 119.000 119.000 119.804 -0.804 RESID 81 (Q): C 176.600 176.600 178.868 -2.268 RESID 81 (Q): CA 57.510 57.510 59.169 -1.659 RESID 81 (Q): CB 28.880 28.880 28.549 0.331 RESID 81 (Q): H 8.418 8.418 8.333 0.085 RESID 82 (Q): N 115.300 115.300 117.270 -1.970 RESID 82 (Q): C 177.400 177.400 177.725 -0.325 RESID 82 (Q): CA 57.280 57.280 58.401 -1.121 RESID 82 (Q): CB 27.950 27.950 28.479 -0.529 RESID 82 (Q): H 7.297 7.297 7.930 -0.633 RESID 83 (E): N 115.600 115.600 117.178 -1.578 RESID 83 (E): C 176.400 176.400 177.276 -0.876 RESID 83 (E): CA 56.950 56.950 58.199 -1.249 RESID 83 (E): CB 33.090 33.090 31.390 1.700 RESID 83 (E): H 7.627 7.627 7.875 -0.248 RESID 84 (I): N 115.100 115.100 111.856 3.244 RESID 84 (I): C 172.600 172.600 173.947 -1.347 RESID 84 (I): CA 59.380 59.380 58.908 0.472 RESID 84 (I): CB 40.830 40.830 41.500 -0.670 RESID 84 (I): H 8.275 8.275 7.958 0.317 RESID 85 (A): N 120.600 120.600 120.379 0.221 RESID 85 (A): C 175.000 175.000 175.252 -0.252 RESID 85 (A): CA 49.150 49.150 50.270 -1.120 RESID 85 (A): CB 22.280 22.280 21.435 0.845 RESID 85 (A): H 8.679 8.679 8.421 0.258 RESID 86 (F): N 115.500 115.500 119.035 -3.535 RESID 86 (F): C 178.800 178.800 175.822 2.978 RESID 86 (F): CA 55.850 55.850 56.899 -1.049 RESID 86 (F): CB 44.300 44.300 44.054 0.246 RESID 86 (F): H 8.283 8.283 8.606 -0.323 RESID 87 (T): N 108.200 108.200 114.969 -6.769 RESID 87 (T): C 174.700 174.700 173.811 0.889 RESID 87 (T): CA 61.930 61.930 61.193 0.737 RESID 87 (T): CB 72.740 72.740 70.041 2.699 RESID 87 (T): H 7.898 7.898 8.348 -0.450 RESID 88 (D): N 118.400 118.400 120.523 -2.123 RESID 88 (D): C 174.300 174.300 175.640 -1.340 RESID 88 (D): CA 55.030 55.030 55.781 -0.751 RESID 88 (D): CB 40.870 40.870 39.824 1.046 RESID 88 (D): H 8.789 8.789 8.803 -0.014 RESID 89 (K): N 118.100 118.100 116.542 1.558 RESID 89 (K): C 176.200 176.200 176.634 -0.434 RESID 89 (K): CA 55.570 55.570 57.304 -1.734 RESID 89 (K): CB 31.850 31.850 31.552 0.298 RESID 89 (K): H 7.666 7.666 7.697 -0.031 RESID 90 (L): N 123.400 123.400 126.442 -3.042 RESID 90 (L): C 178.000 178.000 177.684 0.316 RESID 90 (L): CA 54.450 54.450 57.232 -2.782 RESID 90 (L): CB 41.710 41.710 43.347 -1.637 RESID 90 (L): H 8.778 8.778 8.751 0.027 RESID 91 (Y): N 110.500 110.500 109.962 0.538 RESID 91 (Y): C 172.600 172.600 173.737 -1.137 RESID 91 (Y): CA 56.070 56.070 55.430 0.640 RESID 91 (Y): CB 37.670 37.670 40.531 -2.861 RESID 91 (Y): H 6.810 6.810 7.152 -0.342 RESID 92 (A): N 123.100 123.100 122.443 0.657 RESID 92 (A): C 175.600 175.600 176.801 -1.201 RESID 92 (A): CA 51.940 51.940 51.170 0.769 RESID 92 (A): CB 20.320 20.320 19.691 0.629 RESID 92 (A): H 8.135 8.135 9.092 -0.957 RESID 93 (A): N 127.000 127.000 127.531 -0.531 RESID 93 (A): C 175.700 175.700 176.634 -0.934 RESID 93 (A): CA 51.020 51.020 50.587 0.433 RESID 93 (A): CB 18.310 18.310 18.414 -0.104 RESID 93 (A): H 8.658 8.658 8.478 0.180 RESID 94 (D): N 122.900 122.900 121.646 1.254 RESID 94 (D): C 175.300 175.300 176.112 -0.812 RESID 94 (D): CA 53.910 53.910 55.112 -1.202 RESID 94 (D): CB 42.030 42.030 42.247 -0.217 RESID 94 (D): H 8.497 8.497 7.734 0.763 RESID 95 (S): N 110.300 110.300 112.180 -1.880 RESID 95 (S): C 171.600 171.600 173.058 -1.458 RESID 95 (S): CA 57.850 57.850 57.352 0.498 RESID 95 (S): CB 66.410 66.410 66.490 -0.080 RESID 95 (S): H 6.844 6.844 7.878 -1.034 RESID 96 (R): N 124.300 124.300 119.663 4.637 RESID 96 (R): C 173.700 173.700 173.842 -0.142 RESID 96 (R): CA 57.450 57.450 55.864 1.586 RESID 96 (R): CB 34.070 34.070 34.357 -0.287 RESID 96 (R): H 9.227 9.227 8.831 0.396 RESID 97 (L): N 124.100 124.100 125.044 -0.944 RESID 97 (L): C 177.600 177.600 175.931 1.669 RESID 97 (L): CA 54.150 54.150 53.757 0.393 RESID 97 (L): CB 42.640 42.640 44.419 -1.779 RESID 97 (L): H 9.343 9.343 8.015 1.328 RESID 98 (V): N 124.500 124.500 123.214 1.286 RESID 98 (V): C 175.700 175.700 175.028 0.672 RESID 98 (V): CA 61.770 61.770 60.874 0.896 RESID 98 (V): CB 32.950 32.950 32.359 0.591 RESID 98 (V): H 9.500 9.500 7.972 1.528 RESID 99 (V): N 116.800 116.800 120.659 -3.859 RESID 99 (V): C 174.600 174.600 173.942 0.658 RESID 99 (V): CA 58.190 58.190 58.857 -0.667 RESID 99 (V): CB 36.780 36.780 35.745 1.035 RESID 99 (V): H 9.192 9.192 8.033 1.159 RESID 100 (A): N 123.400 123.400 122.588 0.812 RESID 100 (A): C 179.200 179.200 178.374 0.826 RESID 100 (A): CA 52.690 52.690 50.660 2.030 RESID 100 (A): CB 18.160 18.160 20.043 -1.883 RESID 100 (A): H 9.043 9.043 8.422 0.621 RESID 101 (K): N 119.600 119.600 123.610 -4.010 RESID 101 (K): C 176.800 176.800 176.985 -0.185 RESID 101 (K): CA 59.360 59.360 58.963 0.397 RESID 101 (K): CB 31.380 31.380 31.867 -0.487 RESID 101 (K): H 7.840 7.840 8.902 -1.062 RESID 102 (N): N 114.400 114.400 115.605 -1.205 RESID 102 (N): C 175.500 175.500 175.237 0.263 RESID 102 (N): CA 52.330 52.330 54.576 -2.246 RESID 102 (N): CB 36.990 36.990 38.564 -1.574 RESID 102 (N): H 7.941 7.941 8.166 -0.225 RESID 103 (S): N 114.800 114.800 114.727 0.073 RESID 103 (S): C 176.000 176.000 173.277 2.723 RESID 103 (S): CA 58.180 58.180 57.474 0.706 RESID 103 (S): CB 64.310 64.310 63.924 0.386 RESID 103 (S): H 7.700 7.700 7.610 0.090 RESID 104 (D): N 128.500 128.500 129.275 -0.775 RESID 104 (D): C 176.700 176.700 174.995 1.705 RESID 104 (D): CA 52.990 52.990 53.972 -0.982 RESID 104 (D): CB 40.330 40.330 40.928 -0.598 RESID 104 (D): H 8.548 8.548 8.542 0.006 RESID 105 (I): N 122.800 122.800 123.997 -1.197 RESID 105 (I): C 173.800 173.800 174.514 -0.714 RESID 105 (I): CA 63.580 63.580 60.401 3.179 RESID 105 (I): CB 37.490 37.490 40.437 -2.947 RESID 105 (I): H 7.826 7.826 8.169 -0.343 RESID 106 (Q): N 124.600 124.600 125.216 -0.616 RESID 106 (Q): C 174.700 174.700 174.002 0.698 RESID 106 (Q): CA 51.380 51.380 52.047 -0.667 RESID 106 (Q): CB 31.050 31.050 29.024 2.026 RESID 106 (Q): H 8.174 8.174 8.394 -0.220 RESID 107 (P): C 175.300 175.300 175.778 -0.478 RESID 107 (P): CA 61.880 61.880 63.647 -1.767 RESID 107 (P): CB 26.860 26.860 30.816 -3.956 RESID 108 (T): N 114.600 114.600 117.760 -3.160 RESID 108 (T): C 174.000 174.000 174.371 -0.371 RESID 108 (T): CA 57.690 57.690 61.600 -3.910 RESID 108 (T): CB 71.020 71.020 72.063 -1.043 RESID 108 (T): H 8.531 8.531 7.696 0.835 RESID 109 (V): N 121.800 121.800 123.444 -1.644 RESID 109 (V): C 177.300 177.300 176.929 0.371 RESID 109 (V): CA 65.600 65.600 64.754 0.846 RESID 109 (V): CB 30.580 30.580 32.777 -2.197 RESID 109 (V): H 8.775 8.775 8.484 0.291 RESID 110 (E): N 116.900 116.900 120.272 -3.372 RESID 110 (E): C 178.400 178.400 178.893 -0.493 RESID 110 (E): CA 59.260 59.260 60.156 -0.896 RESID 110 (E): CB 28.170 28.170 29.023 -0.853 RESID 110 (E): H 8.414 8.414 8.770 -0.356 RESID 111 (S): N 113.200 113.200 113.260 -0.060 RESID 111 (S): C 176.500 176.500 175.748 0.752 RESID 111 (S): CA 59.370 59.370 60.803 -1.433 RESID 111 (S): CB 63.730 63.730 62.467 1.263 RESID 111 (S): H 7.387 7.387 8.519 -1.132 RESID 112 (L): N 116.100 116.100 120.412 -4.312 RESID 112 (L): C 176.700 176.700 176.709 -0.009 RESID 112 (L): CA 54.580 54.580 55.398 -0.818 RESID 112 (L): CB 42.650 42.650 42.563 0.087 RESID 112 (L): H 7.676 7.676 7.330 0.346 RESID 113 (K): N 121.000 121.000 119.189 1.811 RESID 113 (K): C 178.200 178.200 177.503 0.697 RESID 113 (K): CA 58.850 58.850 58.218 0.632 RESID 113 (K): CB 30.850 30.850 32.256 -1.406 RESID 113 (K): H 7.445 7.445 7.725 -0.280 RESID 114 (G): N 113.900 113.900 112.958 0.942 RESID 114 (G): C 174.200 174.200 174.794 -0.594 RESID 114 (G): CA 45.240 45.240 45.355 -0.115 RESID 114 (G): H 8.454 8.454 8.358 0.096 RESID 115 (K): N 120.600 120.600 121.739 -1.139 RESID 115 (K): C 174.800 174.800 176.126 -1.326 RESID 115 (K): CA 53.710 53.710 54.765 -1.055 RESID 115 (K): CB 31.990 31.990 33.276 -1.286 RESID 115 (K): H 8.530 8.530 7.867 0.663 RESID 116 (R): N 119.300 119.300 120.892 -1.592 RESID 116 (R): C 176.000 176.000 175.668 0.332 RESID 116 (R): CA 54.720 54.720 55.748 -1.028 RESID 116 (R): CB 32.310 32.310 31.677 0.633 RESID 116 (R): H 9.455 9.455 8.402 1.053 RESID 117 (V): N 126.100 126.100 123.179 2.921 RESID 117 (V): C 175.300 175.300 174.735 0.565 RESID 117 (V): CA 60.090 60.090 60.169 -0.079 RESID 117 (V): CB 33.620 33.620 35.925 -2.305 RESID 117 (V): H 9.217 9.217 8.588 0.629 RESID 118 (G): N 114.000 114.000 113.380 0.620 RESID 118 (G): C 172.300 172.300 172.584 -0.284 RESID 118 (G): CA 45.010 45.010 43.547 1.463 RESID 118 (G): H 9.367 9.367 8.028 1.339 RESID 119 (V): N 116.400 116.400 122.350 -5.950 RESID 119 (V): C 174.100 174.100 174.040 0.060 RESID 119 (V): CA 58.270 58.270 60.451 -2.181 RESID 119 (V): CB 36.370 36.370 36.993 -0.623 RESID 119 (V): H 9.166 9.166 9.306 -0.140 RESID 120 (L): N 124.400 124.400 124.157 0.243 RESID 120 (L): C 176.900 176.900 175.666 1.234 RESID 120 (L): CA 53.690 53.690 53.970 -0.280 RESID 120 (L): CB 41.240 41.240 42.687 -1.447 RESID 120 (L): H 8.961 8.961 8.831 0.130 RESID 121 (Q): N 128.000 128.000 127.146 0.854 RESID 121 (Q): C 176.900 176.900 177.236 -0.336 RESID 121 (Q): CA 56.680 56.680 57.107 -0.427 RESID 121 (Q): CB 27.920 27.920 29.532 -1.612 RESID 121 (Q): H 9.305 9.305 8.989 0.316 RESID 122 (G): N 113.600 113.600 113.735 -0.135 RESID 122 (G): C 175.100 175.100 173.570 1.530 RESID 122 (G): CA 45.240 45.240 45.475 -0.235 RESID 122 (G): H 9.383 9.383 8.700 0.683 RESID 123 (T): N 108.400 108.400 110.189 -1.789 RESID 123 (T): C 176.800 176.800 174.455 2.345 RESID 123 (T): CA 60.260 60.260 59.981 0.279 RESID 123 (T): CB 73.530 73.530 70.655 2.875 RESID 123 (T): H 7.220 7.220 7.743 -0.523 RESID 124 (T): N 113.900 113.900 112.755 1.145 RESID 124 (T): C 178.100 178.100 176.528 1.572 RESID 124 (T): CA 63.990 63.990 64.804 -0.814 RESID 124 (T): CB 67.740 67.740 68.736 -0.995 RESID 124 (T): H 8.934 8.934 8.649 0.285 RESID 125 (Q): N 120.600 120.600 122.343 -1.743 RESID 125 (Q): C 178.300 178.300 178.137 0.163 RESID 125 (Q): CA 61.670 61.670 59.709 1.961 RESID 125 (Q): CB 25.310 25.310 28.032 -2.722 RESID 125 (Q): H 7.521 7.521 8.278 -0.757 RESID 126 (E): N 121.900 121.900 119.763 2.137 RESID 126 (E): C 177.600 177.600 178.907 -1.307 RESID 126 (E): CA 59.630 59.630 59.823 -0.193 RESID 126 (E): CB 28.730 28.730 29.639 -0.909 RESID 126 (E): H 7.717 7.717 7.802 -0.085 RESID 127 (T): N 117.800 117.800 116.253 1.547 RESID 127 (T): C 176.200 176.200 176.395 -0.195 RESID 127 (T): CA 66.340 66.340 66.833 -0.493 RESID 127 (T): CB 67.590 67.590 68.729 -1.139 RESID 127 (T): H 8.175 8.175 7.625 0.550 RESID 128 (F): N 121.900 121.900 121.968 -0.068 RESID 128 (F): C 178.000 178.000 177.547 0.453 RESID 128 (F): CA 61.590 61.590 60.745 0.845 RESID 128 (F): CB 38.810 38.810 38.930 -0.120 RESID 128 (F): H 8.882 8.882 8.653 0.229 RESID 129 (G): N 107.000 107.000 107.116 -0.116 RESID 129 (G): C 176.100 176.100 176.481 -0.381 RESID 129 (G): CA 46.690 46.690 47.208 -0.518 RESID 129 (G): H 8.900 8.900 9.161 -0.261 RESID 130 (N): N 123.000 123.000 118.451 4.549 RESID 130 (N): C 176.200 176.200 175.835 0.365 RESID 130 (N): CA 55.400 55.400 55.345 0.055 RESID 130 (N): CB 37.570 37.570 38.196 -0.625 RESID 130 (N): H 8.915 8.915 8.569 0.346 RESID 131 (E): N 119.000 119.000 116.705 2.295 RESID 131 (E): C 177.900 177.900 177.096 0.804 RESID 131 (E): CA 57.940 57.940 56.702 1.238 RESID 131 (E): CB 29.350 29.350 30.763 -1.413 RESID 131 (E): H 7.907 7.907 7.481 0.426 RESID 132 (H): N 112.600 112.600 118.643 -6.043 RESID 132 (H): C 175.900 175.900 175.548 0.352 RESID 132 (H): CA 56.910 56.910 58.798 -1.888 RESID 132 (H): CB 30.510 30.510 29.810 0.700 RESID 132 (H): H 7.877 7.877 7.871 0.006 RESID 133 (W): N 119.300 119.300 117.415 1.885 RESID 133 (W): C 176.800 176.800 176.178 0.622 RESID 133 (W): CA 55.570 55.570 56.541 -0.972 RESID 133 (W): CB 30.400 30.400 29.738 0.662 RESID 133 (W): H 7.653 7.653 7.488 0.165 RESID 134 (A): N 125.400 125.400 124.652 0.748 RESID 134 (A): C 177.700 177.700 177.217 0.483 RESID 134 (A): CA 55.410 55.410 54.627 0.783 RESID 134 (A): CB 15.990 15.990 16.811 -0.821 RESID 134 (A): H 8.711 8.711 7.533 1.178 RESID 135 (P): C 177.200 177.200 177.361 -0.161 RESID 135 (P): CA 64.510 64.510 64.186 0.324 RESID 135 (P): CB 30.800 30.800 30.990 -0.190 RESID 136 (K): N 115.800 115.800 116.196 -0.396 RESID 136 (K): C 176.500 176.500 177.627 -1.127 RESID 136 (K): CA 53.530 53.530 55.924 -2.394 RESID 136 (K): CB 31.430 31.430 32.049 -0.619 RESID 136 (K): H 7.665 7.665 8.119 -0.454 RESID 137 (G): N 106.100 106.100 108.349 -2.249 RESID 137 (G): C 174.300 174.300 173.514 0.786 RESID 137 (G): CA 45.740 45.740 45.370 0.370 RESID 137 (G): H 7.864 7.864 7.667 0.197 RESID 138 (I): N 124.400 124.400 119.359 5.041 RESID 138 (I): C 174.400 174.400 174.796 -0.396 RESID 138 (I): CA 60.460 60.460 60.105 0.355 RESID 138 (I): CB 38.080 38.080 39.851 -1.771 RESID 138 (I): H 6.889 6.889 7.480 -0.591 RESID 139 (E): N 128.400 128.400 127.272 1.128 RESID 139 (E): C 173.900 173.900 175.101 -1.201 RESID 139 (E): CA 56.050 56.050 55.603 0.447 RESID 139 (E): CB 29.490 29.490 31.240 -1.750 RESID 139 (E): H 8.230 8.230 8.339 -0.109 RESID 140 (I): N 129.500 129.500 121.634 7.866 RESID 140 (I): C 176.100 176.100 174.765 1.335 RESID 140 (I): CA 57.100 57.100 59.034 -1.934 RESID 140 (I): CB 34.440 34.440 40.588 -6.148 RESID 140 (I): H 8.642 8.642 8.355 0.287 RESID 141 (V): N 133.000 133.000 125.279 7.721 RESID 141 (V): C 174.400 174.400 174.517 -0.117 RESID 141 (V): CA 61.060 61.060 61.140 -0.080 RESID 141 (V): CB 32.410 32.410 36.194 -3.784 RESID 141 (V): H 9.387 9.387 8.939 0.448 RESID 142 (S): N 122.900 122.900 120.124 2.776 RESID 142 (S): C 175.000 175.000 173.539 1.461 RESID 142 (S): CA 57.710 57.710 57.306 0.404 RESID 142 (S): CB 63.710 63.710 63.694 0.016 RESID 142 (S): H 8.490 8.490 8.391 0.099 RESID 143 (Y): N 123.400 123.400 126.129 -2.729 RESID 143 (Y): C 175.900 175.900 176.365 -0.465 RESID 143 (Y): CA 57.300 57.300 57.712 -0.412 RESID 143 (Y): CB 42.300 42.300 41.344 0.956 RESID 143 (Y): H 8.979 8.979 9.273 -0.294 RESID 144 (Q): N 119.500 119.500 120.078 -0.578 RESID 144 (Q): C 176.000 176.000 174.886 1.114 RESID 144 (Q): CA 56.490 56.490 55.878 0.612 RESID 144 (Q): CB 28.470 28.470 29.859 -1.389 RESID 144 (Q): H 8.974 8.974 8.743 0.231 RESID 145 (G): N 106.800 106.800 107.371 -0.571 RESID 145 (G): C 173.500 173.500 174.160 -0.660 RESID 145 (G): CA 44.300 44.300 44.342 -0.042 RESID 145 (G): H 7.531 7.531 7.864 -0.333 RESID 146 (Q): N 124.300 124.300 122.909 1.391 RESID 146 (Q): C 177.200 177.200 177.348 -0.148 RESID 146 (Q): CA 57.800 57.800 58.799 -0.999 RESID 146 (Q): CB 28.190 28.190 28.634 -0.444 RESID 146 (Q): H 8.949 8.949 8.861 0.088 RESID 147 (D): N 117.900 117.900 118.431 -0.531 RESID 147 (D): C 178.900 178.900 178.477 0.423 RESID 147 (D): CA 56.650 56.650 56.861 -0.211 RESID 147 (D): CB 38.890 38.890 39.742 -0.852 RESID 147 (D): H 8.746 8.746 8.786 -0.040 RESID 148 (N): N 117.500 117.500 117.864 -0.364 RESID 148 (N): C 176.700 176.700 177.262 -0.562 RESID 148 (N): CA 55.160 55.160 55.718 -0.558 RESID 148 (N): CB 38.700 38.700 38.119 0.581 RESID 148 (N): H 7.496 7.496 8.539 -1.043 RESID 149 (I): N 120.000 120.000 119.745 0.255 RESID 149 (I): C 177.400 177.400 177.561 -0.161 RESID 149 (I): CA 64.450 64.450 64.998 -0.548 RESID 149 (I): CB 35.900 35.900 37.637 -1.737 RESID 149 (I): H 6.793 6.793 7.175 -0.382 RESID 150 (Y): N 117.400 117.400 118.090 -0.690 RESID 150 (Y): C 178.800 178.800 178.162 0.638 RESID 150 (Y): CA 59.730 59.730 61.654 -1.923 RESID 150 (Y): CB 35.970 35.970 37.700 -1.730 RESID 150 (Y): H 6.897 6.897 7.407 -0.510 RESID 151 (S): N 117.000 117.000 114.974 2.026 RESID 151 (S): C 177.000 177.000 177.061 -0.061 RESID 151 (S): CA 61.300 61.300 61.878 -0.578 RESID 151 (S): CB 62.100 62.100 62.399 -0.299 RESID 151 (S): H 8.186 8.186 8.243 -0.057 RESID 152 (D): N 122.300 122.300 123.441 -1.141 RESID 152 (D): C 179.000 179.000 178.375 0.625 RESID 152 (D): CA 56.580 56.580 56.874 -0.294 RESID 152 (D): CB 38.240 38.240 40.360 -2.120 RESID 152 (D): H 7.541 7.541 7.712 -0.171 RESID 153 (L): N 124.100 124.100 121.163 2.937 RESID 153 (L): C 180.300 180.300 178.533 1.767 RESID 153 (L): CA 58.160 58.160 57.546 0.614 RESID 153 (L): CB 41.630 41.630 41.821 -0.191 RESID 153 (L): H 8.372 8.372 7.882 0.490 RESID 154 (T): N 111.900 111.900 113.410 -1.510 RESID 154 (T): C 176.700 176.700 175.384 1.316 RESID 154 (T): CA 63.920 63.920 65.420 -1.500 RESID 154 (T): CB 68.700 68.700 69.002 -0.302 RESID 154 (T): H 8.389 8.389 8.293 0.096 RESID 155 (A): N 121.800 121.800 120.137 1.663 RESID 155 (A): C 178.200 178.200 178.057 0.143 RESID 155 (A): CA 51.640 51.640 52.330 -0.690 RESID 155 (A): CB 18.990 18.990 19.385 -0.395 RESID 155 (A): H 7.444 7.444 7.069 0.375 RESID 156 (G): N 107.800 107.800 107.076 0.724 RESID 156 (G): C 175.100 175.100 175.361 -0.261 RESID 156 (G): CA 45.420 45.420 45.171 0.249 RESID 156 (G): H 7.921 7.921 8.015 -0.094 RESID 157 (R): N 119.000 119.000 119.223 -0.223 RESID 157 (R): C 176.600 176.600 175.724 0.876 RESID 157 (R): CA 57.260 57.260 57.615 -0.356 RESID 157 (R): CB 30.400 30.400 30.768 -0.368 RESID 157 (R): H 8.443 8.443 8.096 0.347 RESID 158 (I): N 108.900 108.900 112.797 -3.897 RESID 158 (I): C 173.700 173.700 174.282 -0.582 RESID 158 (I): CA 59.900 59.900 59.208 0.692 RESID 158 (I): CB 40.070 40.070 41.085 -1.015 RESID 158 (I): H 7.109 7.109 7.121 -0.012 RESID 159 (D): N 119.100 119.100 123.852 -4.752 RESID 159 (D): C 174.700 174.700 175.670 -0.970 RESID 159 (D): CA 55.900 55.900 56.331 -0.431 RESID 159 (D): CB 43.630 43.630 41.708 1.922 RESID 159 (D): H 8.737 8.737 8.568 0.169 RESID 160 (A): N 116.400 116.400 116.394 0.006 RESID 160 (A): C 174.900 174.900 174.322 0.578 RESID 160 (A): CA 50.190 50.190 51.484 -1.294 RESID 160 (A): CB 23.030 23.030 21.368 1.662 RESID 160 (A): H 7.702 7.702 7.171 0.531 RESID 161 (A): N 123.400 123.400 121.794 1.606 RESID 161 (A): C 175.500 175.500 175.668 -0.168 RESID 161 (A): CA 49.730 49.730 50.230 -0.500 RESID 161 (A): CB 21.110 21.110 21.631 -0.521 RESID 161 (A): H 8.915 8.915 8.000 0.915 RESID 162 (F): N 125.100 125.100 122.446 2.654 RESID 162 (F): C 172.900 172.900 174.966 -2.066 RESID 162 (F): CA 54.500 54.500 58.203 -3.703 RESID 162 (F): CB 39.400 39.400 38.833 0.567 RESID 162 (F): H 8.971 8.971 8.381 0.590 RESID 163 (Q): N 124.600 124.600 123.334 1.266 RESID 163 (Q): C 173.400 173.400 173.681 -0.281 RESID 163 (Q): CA 53.550 53.550 53.631 -0.081 RESID 163 (Q): CB 34.390 34.390 33.145 1.245 RESID 163 (Q): H 7.904 7.904 8.315 -0.411 RESID 164 (D): N 122.300 122.300 121.265 1.035 RESID 164 (D): C 175.800 175.800 177.218 -1.418 RESID 164 (D): CA 55.540 55.540 54.414 1.126 RESID 164 (D): CB 42.370 42.370 42.037 0.333 RESID 164 (D): H 8.304 8.304 8.424 -0.120 RESID 165 (E): N 128.600 128.600 122.888 5.712 RESID 165 (E): C 177.700 177.700 178.111 -0.411 RESID 165 (E): CA 60.230 60.230 60.117 0.112 RESID 165 (E): CB 30.020 30.020 29.824 0.196 RESID 165 (E): H 8.605 8.605 8.743 -0.138 RESID 166 (V): N 120.100 120.100 118.828 1.272 RESID 166 (V): C 178.300 178.300 177.247 1.053 RESID 166 (V): CA 66.800 66.800 66.695 0.105 RESID 166 (V): CB 30.070 30.070 30.243 -0.173 RESID 166 (V): H 8.748 8.748 8.176 0.572 RESID 167 (A): N 123.200 123.200 120.179 3.021 RESID 167 (A): C 182.500 182.500 179.085 3.415 RESID 167 (A): CA 54.980 54.980 54.672 0.308 RESID 167 (A): CB 17.910 17.910 17.989 -0.079 RESID 167 (A): H 8.655 8.655 7.884 0.771 RESID 168 (A): N 121.300 121.300 122.086 -0.786 RESID 168 (A): C 179.800 179.800 179.697 0.103 RESID 168 (A): CA 54.180 54.180 54.568 -0.388 RESID 168 (A): CB 18.750 18.750 18.393 0.357 RESID 168 (A): H 8.349 8.349 7.834 0.515 RESID 169 (S): N 113.400 113.400 114.319 -0.919 RESID 169 (S): C 175.700 175.700 176.295 -0.595 RESID 169 (S): CA 61.050 61.050 62.793 -1.743 RESID 169 (S): CB 63.050 63.050 62.486 0.564 RESID 169 (S): H 8.058 8.058 8.082 -0.024 RESID 170 (E): N 115.600 115.600 120.432 -4.832 RESID 170 (E): C 178.800 178.800 177.418 1.382 RESID 170 (E): CA 57.610 57.610 58.261 -0.651 RESID 170 (E): CB 29.790 29.790 29.108 0.682 RESID 170 (E): H 8.824 8.824 7.888 0.936 RESID 171 (G): N 103.400 103.400 104.541 -1.141 RESID 171 (G): C 173.700 173.700 174.999 -1.299 RESID 171 (G): CA 44.970 44.970 45.224 -0.254 RESID 171 (G): H 8.154 8.154 7.364 0.790 RESID 172 (F): N 120.100 120.100 122.628 -2.528 RESID 172 (F): C 175.200 175.200 177.191 -1.991 RESID 172 (F): CA 60.690 60.690 61.200 -0.510 RESID 172 (F): CB 40.740 40.740 39.149 1.591 RESID 172 (F): H 7.297 7.297 8.339 -1.042 RESID 173 (L): N 117.800 117.800 117.212 0.588 RESID 173 (L): C 179.000 179.000 178.485 0.515 RESID 173 (L): CA 57.670 57.670 56.799 0.871 RESID 173 (L): CB 40.020 40.020 41.916 -1.896 RESID 173 (L): H 8.470 8.470 7.491 0.979 RESID 174 (K): N 114.600 114.600 117.284 -2.684 RESID 174 (K): C 176.900 176.900 176.186 0.714 RESID 174 (K): CA 56.450 56.450 57.294 -0.844 RESID 174 (K): CB 31.770 31.770 32.635 -0.865 RESID 174 (K): H 8.018 8.018 7.668 0.350 RESID 175 (Q): N 118.800 118.800 117.019 1.781 RESID 175 (Q): C 176.000 176.000 173.925 2.075 RESID 175 (Q): CA 52.510 52.510 52.245 0.265 RESID 175 (Q): CB 26.740 26.740 29.890 -3.150 RESID 175 (Q): H 7.151 7.151 7.269 -0.118 RESID 176 (P): C 179.300 179.300 177.579 1.721 RESID 176 (P): CA 66.100 66.100 65.423 0.677 RESID 176 (P): CB 30.720 30.720 31.642 -0.922 RESID 177 (V): N 112.300 112.300 117.567 -5.267 RESID 177 (V): C 175.900 175.900 177.684 -1.784 RESID 177 (V): CA 62.860 62.860 65.869 -3.009 RESID 177 (V): CB 30.660 30.660 30.942 -0.282 RESID 177 (V): H 7.480 7.480 7.669 -0.189 RESID 178 (G): N 109.700 109.700 105.521 4.179 RESID 178 (G): C 175.000 175.000 174.870 0.130 RESID 178 (G): CA 44.080 44.080 46.105 -2.025 RESID 178 (G): H 7.173 7.173 7.849 -0.676 RESID 179 (K): N 120.900 120.900 119.163 1.737 RESID 179 (K): C 177.100 177.100 177.588 -0.488 RESID 179 (K): CA 58.360 58.360 58.455 -0.094 RESID 179 (K): CB 31.260 31.260 32.307 -1.048 RESID 179 (K): H 6.972 6.972 7.390 -0.418 RESID 180 (D): N 117.200 117.200 117.177 0.023 RESID 180 (D): C 173.900 173.900 175.876 -1.976 RESID 180 (D): CA 53.920 53.920 55.902 -1.982 RESID 180 (D): CB 39.690 39.690 41.301 -1.611 RESID 180 (D): H 8.036 8.036 7.444 0.592 RESID 181 (Y): N 120.500 120.500 114.996 5.504 RESID 181 (Y): C 172.300 172.300 173.494 -1.194 RESID 181 (Y): CA 57.890 57.890 57.736 0.154 RESID 181 (Y): CB 41.860 41.860 42.352 -0.492 RESID 181 (Y): H 7.768 7.768 7.443 0.325 RESID 182 (K): N 116.900 116.900 118.888 -1.988 RESID 182 (K): C 174.900 174.900 174.303 0.597 RESID 182 (K): CA 54.330 54.330 56.440 -2.110 RESID 182 (K): CB 35.610 35.610 33.321 2.289 RESID 182 (K): H 9.497 9.497 8.859 0.638 RESID 183 (F): N 117.900 117.900 121.145 -3.245 RESID 183 (F): C 177.800 177.800 175.156 2.644 RESID 183 (F): CA 56.780 56.780 57.899 -1.119 RESID 183 (F): CB 38.320 38.320 42.931 -4.611 RESID 183 (F): H 8.470 8.470 8.166 0.304 RESID 184 (G): N 113.700 113.700 109.045 4.655 RESID 184 (G): C 173.300 173.300 174.876 -1.576 RESID 184 (G): CA 46.900 46.900 44.919 1.981 RESID 184 (G): H 9.107 9.107 8.811 0.296 RESID 185 (G): N 111.000 111.000 108.795 2.205 RESID 185 (G): C 171.100 171.100 172.847 -1.747 RESID 185 (G): CA 44.530 44.530 45.444 -0.915 RESID 185 (G): H 7.702 7.702 8.249 -0.547 RESID 186 (P): C 175.500 175.500 176.206 -0.706 RESID 186 (P): CA 61.920 61.920 64.422 -2.502 RESID 186 (P): CB 32.640 32.640 31.834 0.806 RESID 187 (S): N 113.500 113.500 120.057 -6.557 RESID 187 (S): C 173.500 173.500 173.913 -0.413 RESID 187 (S): CA 57.930 57.930 57.431 0.499 RESID 187 (S): CB 63.260 63.260 65.703 -2.443 RESID 187 (S): H 8.452 8.452 8.342 0.110 RESID 188 (V): N 123.300 123.300 121.860 1.440 RESID 188 (V): C 173.900 173.900 173.631 0.269 RESID 188 (V): CA 61.800 61.800 62.271 -0.471 RESID 188 (V): CB 32.680 32.680 34.711 -2.031 RESID 188 (V): H 9.080 9.080 7.863 1.217 RESID 189 (K): N 125.200 125.200 122.472 2.728 RESID 189 (K): C 176.700 176.700 174.079 2.621 RESID 189 (K): CA 54.680 54.680 56.182 -1.502 RESID 189 (K): CB 33.780 33.780 34.732 -0.952 RESID 189 (K): H 8.123 8.123 8.148 -0.025 RESID 190 (D): N 120.300 120.300 122.143 -1.843 RESID 190 (D): C 175.300 175.300 176.909 -1.609 RESID 190 (D): CA 55.610 55.610 53.498 2.111 RESID 190 (D): CB 42.620 42.620 40.460 2.160 RESID 190 (D): H 8.823 8.823 8.279 0.544 RESID 191 (E): N 129.100 129.100 126.635 2.465 RESID 191 (E): C 177.300 177.300 177.589 -0.289 RESID 191 (E): CA 59.310 59.310 58.507 0.803 RESID 191 (E): CB 28.420 28.420 29.531 -1.111 RESID 191 (E): H 9.239 9.239 8.857 0.382 RESID 192 (K): N 118.000 118.000 119.075 -1.075 RESID 192 (K): C 178.200 178.200 177.856 0.344 RESID 192 (K): CA 58.140 58.140 58.883 -0.743 RESID 192 (K): CB 31.690 31.690 32.176 -0.486 RESID 192 (K): H 7.918 7.918 8.761 -0.843 RESID 193 (L): N 118.200 118.200 117.808 0.392 RESID 193 (L): C 177.700 177.700 177.781 -0.081 RESID 193 (L): CA 55.790 55.790 56.937 -1.147 RESID 193 (L): CB 42.330 42.330 42.094 0.236 RESID 193 (L): H 8.362 8.362 7.155 1.207 RESID 194 (F): N 116.800 116.800 113.490 3.310 RESID 194 (F): C 178.200 178.200 175.824 2.376 RESID 194 (F): CA 54.620 54.620 57.349 -2.729 RESID 194 (F): CB 37.390 37.390 39.946 -2.556 RESID 194 (F): H 8.036 8.036 7.303 0.733 RESID 195 (G): N 106.900 106.900 108.898 -1.998 RESID 195 (G): C 174.200 174.200 174.581 -0.381 RESID 195 (G): CA 44.120 44.120 44.959 -0.839 RESID 195 (G): H 7.510 7.510 7.667 -0.157 RESID 196 (V): N 112.400 112.400 124.019 -11.619 RESID 196 (V): C 175.300 175.300 175.827 -0.527 RESID 196 (V): CA 60.720 60.720 63.982 -3.262 RESID 196 (V): CB 30.630 30.630 32.147 -1.517 RESID 196 (V): H 8.064 8.064 8.333 -0.269 RESID 197 (G): N 108.100 108.100 105.219 2.881 RESID 197 (G): C 172.300 172.300 172.018 0.282 RESID 197 (G): CA 43.210 43.210 45.286 -2.076 RESID 197 (G): H 7.788 7.788 7.258 0.530 RESID 198 (T): N 109.200 109.200 113.415 -4.215 RESID 198 (T): C 172.800 172.800 173.149 -0.349 RESID 198 (T): CA 59.090 59.090 59.313 -0.223 RESID 198 (T): CB 71.080 71.080 71.314 -0.234 RESID 198 (T): H 7.796 7.796 7.964 -0.168 RESID 199 (G): N 103.900 103.900 108.155 -4.255 RESID 199 (G): C 171.800 171.800 172.240 -0.440 RESID 199 (G): CA 43.840 43.840 45.629 -1.789 RESID 199 (G): H 7.928 7.928 7.854 0.074 RESID 200 (M): N 121.400 121.400 119.465 1.935 RESID 200 (M): C 176.200 176.200 176.085 0.115 RESID 200 (M): CA 55.260 55.260 54.782 0.478 RESID 200 (M): CB 33.390 33.390 35.572 -2.182 RESID 200 (M): H 7.971 7.971 8.193 -0.222 RESID 201 (G): N 112.200 112.200 110.565 1.635 RESID 201 (G): C 172.000 172.000 172.752 -0.752 RESID 201 (G): CA 44.540 44.540 44.349 0.191 RESID 201 (G): H 8.818 8.818 8.482 0.336 RESID 202 (L): N 124.700 124.700 125.062 -0.362 RESID 202 (L): C 176.000 176.000 175.986 0.014 RESID 202 (L): CA 53.740 53.740 52.868 0.872 RESID 202 (L): CB 46.010 46.010 45.826 0.184 RESID 202 (L): H 8.767 8.767 8.649 0.118 RESID 203 (R): N 121.600 121.600 120.146 1.454 RESID 203 (R): C 180.400 180.400 177.915 2.485 RESID 203 (R): CA 57.130 57.130 55.455 1.675 RESID 203 (R): CB 29.650 29.650 31.304 -1.654 RESID 203 (R): H 10.270 10.270 8.118 2.152 RESID 204 (K): N 123.200 123.200 124.403 -1.203 RESID 204 (K): C 178.200 178.200 177.647 0.553 RESID 204 (K): CA 59.570 59.570 59.664 -0.094 RESID 204 (K): CB 31.840 31.840 32.147 -0.307 RESID 204 (K): H 9.231 9.231 8.670 0.561 RESID 205 (E): N 113.800 113.800 117.090 -3.290 RESID 205 (E): C 177.700 177.700 177.908 -0.208 RESID 205 (E): CA 57.230 57.230 58.215 -0.985 RESID 205 (E): CB 27.770 27.770 28.896 -1.126 RESID 205 (E): H 9.026 9.026 8.222 0.804 RESID 206 (D): N 126.000 126.000 120.890 5.110 RESID 206 (D): C 177.300 177.300 176.482 0.818 RESID 206 (D): CA 53.710 53.710 53.639 0.071 RESID 206 (D): CB 37.530 37.530 38.703 -1.173 RESID 206 (D): H 7.253 7.253 8.066 -0.813 RESID 207 (N): N 120.100 120.100 120.439 -0.339 RESID 207 (N): C 176.900 176.900 177.011 -0.111 RESID 207 (N): CA 56.950 56.950 56.485 0.465 RESID 207 (N): CB 38.820 38.820 38.898 -0.078 RESID 207 (N): H 7.839 7.839 8.706 -0.867 RESID 208 (E): N 120.500 120.500 118.951 1.549 RESID 208 (E): C 179.900 179.900 178.487 1.413 RESID 208 (E): CA 59.870 59.870 58.983 0.887 RESID 208 (E): CB 27.630 27.630 29.439 -1.809 RESID 208 (E): H 8.776 8.776 8.324 0.452 RESID 209 (L): N 122.900 122.900 120.432 2.468 RESID 209 (L): C 177.100 177.100 178.208 -1.108 RESID 209 (L): CA 57.400 57.400 57.553 -0.152 RESID 209 (L): CB 40.660 40.660 41.846 -1.186 RESID 209 (L): H 8.366 8.366 7.865 0.501 RESID 210 (R): N 119.100 119.100 118.771 0.329 RESID 210 (R): C 177.400 177.400 178.221 -0.821 RESID 210 (R): CA 59.970 59.970 59.740 0.230 RESID 210 (R): CB 30.110 30.110 30.025 0.085 RESID 210 (R): H 7.582 7.582 8.328 -0.746 RESID 211 (E): N 116.200 116.200 119.248 -3.048 RESID 211 (E): C 179.800 179.800 178.530 1.270 RESID 211 (E): CA 59.150 59.150 59.262 -0.112 RESID 211 (E): CB 28.600 28.600 29.596 -0.996 RESID 211 (E): H 8.407 8.407 7.875 0.532 RESID 212 (A): N 123.500 123.500 122.687 0.813 RESID 212 (A): C 181.300 181.300 179.665 1.635 RESID 212 (A): CA 54.810 54.810 54.717 0.093 RESID 212 (A): CB 17.170 17.170 18.136 -0.966 RESID 212 (A): H 8.128 8.128 7.630 0.498 RESID 213 (L): N 121.200 121.200 119.585 1.615 RESID 213 (L): C 178.400 178.400 179.613 -1.213 RESID 213 (L): CA 57.710 57.710 58.184 -0.474 RESID 213 (L): CB 41.450 41.450 41.209 0.241 RESID 213 (L): H 8.364 8.364 8.065 0.299 RESID 214 (N): N 119.200 119.200 116.513 2.687 RESID 214 (N): C 179.700 179.700 177.853 1.847 RESID 214 (N): CA 55.260 55.260 55.881 -0.621 RESID 214 (N): CB 37.120 37.120 37.917 -0.797 RESID 214 (N): H 8.435 8.435 8.322 0.113 RESID 215 (K): N 123.800 123.800 121.326 2.474 RESID 215 (K): C 178.400 178.400 178.518 -0.118 RESID 215 (K): CA 59.090 59.090 59.412 -0.322 RESID 215 (K): CB 31.740 31.740 32.482 -0.742 RESID 215 (K): H 8.080 8.080 8.471 -0.391 RESID 216 (A): N 122.200 122.200 121.727 0.473 RESID 216 (A): C 179.500 179.500 179.513 -0.013 RESID 216 (A): CA 54.140 54.140 54.887 -0.747 RESID 216 (A): CB 18.700 18.700 18.261 0.439 RESID 216 (A): H 7.935 7.935 8.177 -0.242 RESID 217 (F): N 119.500 119.500 120.132 -0.632 RESID 217 (F): C 177.200 177.200 176.975 0.225 RESID 217 (F): CA 61.390 61.390 60.300 1.090 RESID 217 (F): CB 38.000 38.000 39.068 -1.068 RESID 217 (F): H 8.916 8.916 8.313 0.603 RESID 218 (A): N 121.300 121.300 121.211 0.089 RESID 218 (A): C 182.100 182.100 179.679 2.421 RESID 218 (A): CA 54.810 54.810 55.208 -0.398 RESID 218 (A): CB 16.650 16.650 17.987 -1.337 RESID 218 (A): H 7.956 7.956 8.162 -0.206 RESID 219 (E): N 120.000 120.000 119.038 0.962 RESID 219 (E): C 178.600 178.600 179.006 -0.406 RESID 219 (E): CA 59.040 59.040 59.311 -0.271 RESID 219 (E): CB 28.320 28.320 29.483 -1.163 RESID 219 (E): H 7.952 7.952 7.843 0.109 RESID 220 (M): N 120.900 120.900 118.152 2.748 RESID 220 (M): C 179.000 179.000 178.557 0.443 RESID 220 (M): CA 57.430 57.430 59.488 -2.058 RESID 220 (M): CB 32.620 32.620 32.449 0.171 RESID 220 (M): H 8.190 8.190 8.073 0.117 RESID 221 (R): N 119.200 119.200 118.350 0.850 RESID 221 (R): C 179.300 179.300 178.871 0.429 RESID 221 (R): CA 58.710 58.710 58.921 -0.211 RESID 221 (R): CB 27.480 27.480 29.863 -2.383 RESID 221 (R): H 7.762 7.762 7.526 0.236 RESID 222 (A): N 122.500 122.500 122.094 0.406 RESID 222 (A): C 179.300 179.300 178.939 0.361 RESID 222 (A): CA 54.180 54.180 54.628 -0.448 RESID 222 (A): CB 18.030 18.030 18.565 -0.535 RESID 222 (A): H 7.838 7.838 7.741 0.097 RESID 223 (D): N 115.100 115.100 114.734 0.366 RESID 223 (D): C 177.900 177.900 177.256 0.644 RESID 223 (D): CA 53.020 53.020 53.134 -0.114 RESID 223 (D): CB 39.570 39.570 40.475 -0.905 RESID 223 (D): H 8.091 8.091 7.989 0.102 RESID 224 (G): N 106.700 106.700 108.781 -2.081 RESID 224 (G): C 176.000 176.000 176.023 -0.023 RESID 224 (G): CA 45.070 45.070 46.288 -1.218 RESID 224 (G): H 7.199 7.199 7.389 -0.190 RESID 225 (T): N 122.400 122.400 117.148 5.252 RESID 225 (T): C 175.700 175.700 175.334 0.366 RESID 225 (T): CA 67.610 67.610 67.876 -0.266 RESID 225 (T): CB 66.840 66.840 68.764 -1.924 RESID 225 (T): H 9.095 9.095 8.782 0.313 RESID 226 (Y): N 121.500 121.500 121.711 -0.211 RESID 226 (Y): C 176.000 176.000 176.926 -0.926 RESID 226 (Y): CA 62.530 62.530 62.369 0.161 RESID 226 (Y): CB 38.410 38.410 38.328 0.082 RESID 226 (Y): H 8.040 8.040 7.650 0.390 RESID 227 (E): N 118.200 118.200 118.739 -0.539 RESID 227 (E): C 178.200 178.200 178.717 -0.517 RESID 227 (E): CA 58.940 58.940 59.503 -0.563 RESID 227 (E): CB 28.810 28.810 29.147 -0.337 RESID 227 (E): H 8.153 8.153 8.596 -0.443 RESID 228 (K): N 119.100 119.100 120.386 -1.286 RESID 228 (K): C 179.500 179.500 179.101 0.399 RESID 228 (K): CA 59.260 59.260 59.503 -0.243 RESID 228 (K): CB 31.520 31.520 32.440 -0.920 RESID 228 (K): H 7.558 7.558 8.398 -0.840 RESID 229 (L): N 119.100 119.100 119.400 -0.300 RESID 229 (L): C 179.300 179.300 178.852 0.448 RESID 229 (L): CA 56.970 56.970 57.730 -0.760 RESID 229 (L): CB 41.520 41.520 41.895 -0.375 RESID 229 (L): H 8.055 8.055 8.134 -0.079 RESID 230 (A): N 121.200 121.200 122.189 -0.989 RESID 230 (A): C 180.500 180.500 179.306 1.194 RESID 230 (A): CA 54.890 54.890 55.563 -0.673 RESID 230 (A): CB 17.570 17.570 17.748 -0.178 RESID 230 (A): H 8.901 8.901 8.419 0.482 RESID 231 (K): N 117.200 117.200 118.352 -1.152 RESID 231 (K): C 177.700 177.700 178.475 -0.775 RESID 231 (K): CA 57.370 57.370 58.919 -1.549 RESID 231 (K): CB 31.330 31.330 32.339 -1.009 RESID 231 (K): H 8.062 8.062 8.107 -0.045 RESID 232 (K): N 117.600 117.600 117.279 0.321 RESID 232 (K): C 176.800 176.800 179.185 -2.385 RESID 232 (K): CA 57.890 57.890 58.728 -0.838 RESID 232 (K): CB 31.150 31.150 32.655 -1.505 RESID 232 (K): H 7.053 7.053 7.438 -0.385 RESID 233 (Y): N 114.000 114.000 117.027 -3.027 RESID 233 (Y): C 175.100 175.100 175.872 -0.772 RESID 233 (Y): CA 58.110 58.110 61.296 -3.186 RESID 233 (Y): CB 39.360 39.360 39.030 0.330 RESID 233 (Y): H 7.013 7.013 8.048 -1.035 RESID 234 (F): N 116.400 116.400 113.793 2.607 RESID 234 (F): C 175.800 175.800 173.447 2.353 RESID 234 (F): CA 54.920 54.920 56.780 -1.860 RESID 234 (F): CB 41.260 41.260 42.988 -1.728 RESID 234 (F): H 8.038 8.038 8.179 -0.141 RESID 235 (D): N 123.000 123.000 120.712 2.288 RESID 235 (D): C 174.500 174.500 174.789 -0.289 RESID 235 (D): CA 52.680 52.680 53.235 -0.555 RESID 235 (D): CB 39.860 39.860 39.102 0.758 RESID 235 (D): H 8.879 8.879 8.595 0.284 RESID 236 (F): N 115.500 115.500 120.609 -5.109 RESID 236 (F): C 173.600 173.600 173.670 -0.070 RESID 236 (F): CA 53.950 53.950 56.624 -2.674 RESID 236 (F): CB 39.860 39.860 39.773 0.087 RESID 236 (F): H 6.793 6.793 7.514 -0.721 RESID 237 (D): N 119.700 119.700 121.864 -2.164 RESID 237 (D): C 175.800 175.800 177.056 -1.256 RESID 237 (D): CA 52.980 52.980 52.554 0.425 RESID 237 (D): CB 39.210 39.210 41.752 -2.542 RESID 237 (D): H 8.831 8.831 8.581 0.250 RESID 238 (V): N 129.900 129.900 122.459 7.441 RESID 238 (V): C 175.200 175.200 176.689 -1.489 RESID 238 (V): CA 61.840 61.840 65.061 -3.221 RESID 238 (V): CB 32.500 32.500 31.866 0.634 RESID 238 (V): H 7.376 7.376 8.289 -0.913 RESID 239 (Y): N 123.500 123.500 119.106 4.394 RESID 239 (Y): C 176.500 176.500 178.540 -2.040 RESID 239 (Y): CA 61.920 61.920 61.067 0.853 RESID 239 (Y): CB 38.010 38.010 37.780 0.230 RESID 239 (Y): H 8.314 8.314 7.869 0.445 RESID 240 (G): N 104.100 104.100 104.369 -0.269 RESID 240 (G): C 174.600 174.600 174.867 -0.267 RESID 240 (G): CA 45.930 45.930 45.301 0.629 RESID 240 (G): H 7.428 7.428 8.385 -0.957 N HA C CA CB H RESID 6 (P): ----- ----- -1.414 -0.812 -0.473 ----- RESID 7 (Q): -1.922 ----- 0.105 -1.081 -0.710 -0.283 RESID 8 (N): 1.968 ----- -0.282 -0.623 -1.425 -0.331 RESID 9 (I): -1.873 ----- -0.231 -0.595 -0.436 -0.727 RESID 10 (R): -0.631 ----- 0.268 -1.472 -0.808 0.388 RESID 11 (I): 2.927 ----- 0.551 0.219 -4.661 0.156 RESID 12 (G): 1.085 ----- -1.412 0.238 ----- 0.912 RESID 13 (T): -1.423 ----- 8.353 -0.305 -1.675 0.754 RESID 14 (D): -0.572 ----- 2.984 -0.353 -1.435 -0.404 RESID 15 (P): ----- ----- -1.053 -1.355 -4.510 ----- RESID 16 (T): 5.362 ----- 0.590 -2.516 -1.106 0.477 RESID 17 (Y): 3.939 ----- -0.375 -1.977 0.134 0.894 RESID 18 (A): 2.445 ----- -0.478 -4.586 -0.225 0.027 RESID 19 (P): ----- ----- -3.956 -2.348 0.169 ----- RESID 20 (F): 7.175 ----- 1.636 2.786 -3.323 -0.210 RESID 21 (E): -2.554 ----- -0.842 -0.934 -5.410 -0.931 RESID 22 (S): 4.279 ----- -0.782 -1.279 -1.128 0.466 RESID 23 (K): -2.026 ----- 2.566 -1.606 -1.707 -0.010 RESID 24 (N): 1.268 ----- 0.933 -1.565 -1.851 -0.187 RESID 25 (S): ----- ----- 0.019 0.013 -0.127 ----- RESID 26 (Q): -0.196 ----- -0.573 -0.373 -0.450 -0.342 RESID 27 (G): 1.125 ----- -0.408 -0.018 ----- 0.263 RESID 28 (E): 0.505 ----- 0.223 -1.346 -0.946 -0.225 RESID 29 (L): 3.105 ----- 1.224 0.516 -2.228 0.037 RESID 30 (V): -3.325 ----- 1.683 -1.502 0.173 1.222 RESID 31 (G): -0.680 ----- 0.976 -1.345 ----- 1.145 RESID 32 (F): -2.284 ----- 1.879 -0.742 -0.392 0.048 RESID 33 (D): -2.648 ----- 1.056 -0.562 -1.759 1.585 RESID 34 (I): -0.832 ----- 0.267 -3.798 -4.154 -1.213 RESID 35 (D): 1.368 ----- 1.880 -0.387 0.046 0.612 RESID 36 (L): -0.396 ----- 0.518 -0.059 0.662 1.282 RESID 37 (A): -1.648 ----- -0.953 -0.127 -1.120 0.723 RESID 38 (K): -2.894 ----- 0.947 0.480 -0.503 0.600 RESID 39 (E): 2.173 ----- -1.080 -0.886 -1.512 -0.084 RESID 40 (L): 1.088 ----- -0.132 0.216 -1.521 0.694 RESID 41 (C): -2.763 ----- -1.681 -0.350 21.410 -0.135 RESID 42 (K): -0.389 ----- 1.683 -0.642 -0.930 -0.593 RESID 43 (R): 1.552 ----- 0.028 0.302 -0.241 0.445 RESID 44 (I): -5.730 ----- -0.848 -2.142 -1.579 -0.657 RESID 45 (N): 3.079 ----- -0.338 -0.958 0.695 -0.342 RESID 46 (T): 7.052 ----- 0.275 -0.267 -1.355 -0.021 RESID 47 (Q): 3.522 ----- 0.814 -0.552 -1.845 -0.287 RESID 48 (C): -0.492 ----- -0.580 -4.713 17.930 0.208 RESID 49 (T): -1.965 ----- 0.200 -1.044 -0.047 -0.574 RESID 50 (F): -2.039 ----- -0.109 0.159 0.301 0.386 RESID 51 (V): 2.898 ----- 0.014 -0.008 -1.800 0.218 RESID 52 (E): -1.907 ----- 1.692 -2.698 -1.087 -0.150 RESID 53 (N): 6.549 ----- -2.003 -0.317 5.595 0.690 RESID 54 (P): ----- ----- -0.168 -0.648 -1.454 ----- RESID 55 (L): -0.050 ----- 0.888 -1.068 0.071 0.300 RESID 56 (D): -3.661 ----- -0.824 -0.773 -0.533 0.130 RESID 57 (A): 0.457 ----- 1.053 -2.200 -0.471 -0.279 RESID 58 (L): 1.232 ----- -0.966 0.919 -1.724 -0.281 RESID 59 (I): 0.056 ----- 1.231 1.628 -0.698 1.321 RESID 60 (P): ----- ----- 0.878 -0.640 -1.267 ----- RESID 61 (S): -0.083 ----- -1.203 0.349 ----- -0.360 RESID 62 (L): 3.196 ----- 2.008 -0.329 0.033 0.164 RESID 63 (K): 1.889 ----- 0.093 0.327 -1.727 0.703 RESID 64 (A): 0.025 ----- -0.469 -0.306 -0.455 -0.257 RESID 65 (K): -1.834 ----- -0.468 -0.173 -2.183 0.086 RESID 66 (K): 2.881 ----- -0.533 -1.238 -0.837 0.603 RESID 67 (I): -4.950 ----- -1.400 0.043 -0.577 -0.229 RESID 68 (D): -2.786 ----- -3.583 0.108 1.687 1.184 RESID 69 (A): -0.461 ----- 1.049 -1.084 -0.069 0.018 RESID 70 (I): 0.022 ----- 0.121 -0.613 0.271 1.368 RESID 71 (M): -1.090 ----- -1.357 -1.892 -0.580 0.192 RESID 72 (S): 1.387 ----- -0.741 0.600 -0.460 0.165 RESID 73 (S): 4.724 ----- -0.342 -0.998 -0.130 -0.135 RESID 74 (L): -2.999 ----- -0.626 -1.079 -0.491 1.128 RESID 75 (S): 2.122 ----- 0.807 2.245 -1.729 0.253 RESID 76 (I): 9.488 ----- 0.942 1.767 -3.892 0.004 RESID 77 (T): 3.079 ----- -0.269 -2.230 -0.730 -1.025 RESID 78 (E): -0.443 ----- 1.614 -1.732 -0.643 0.036 RESID 79 (K): 0.098 ----- 1.571 -0.301 -0.690 0.045 RESID 80 (R): -0.329 ----- 0.142 0.377 0.307 0.279 RESID 81 (Q): -0.804 ----- -2.268 -1.659 0.331 0.085 RESID 82 (Q): -1.970 ----- -0.325 -1.121 -0.529 -0.633 RESID 83 (E): -1.578 ----- -0.876 -1.249 1.700 -0.248 RESID 84 (I): 3.244 ----- -1.347 0.472 -0.670 0.317 RESID 85 (A): 0.221 ----- -0.252 -1.120 0.845 0.258 RESID 86 (F): -3.535 ----- 2.978 -1.049 0.246 -0.323 RESID 87 (T): -6.769 ----- 0.889 0.737 2.699 -0.450 RESID 88 (D): -2.123 ----- -1.340 -0.751 1.046 -0.014 RESID 89 (K): 1.558 ----- -0.434 -1.734 0.298 -0.031 RESID 90 (L): -3.042 ----- 0.316 -2.782 -1.637 0.027 RESID 91 (Y): 0.538 ----- -1.137 0.640 -2.861 -0.342 RESID 92 (A): 0.657 ----- -1.201 0.769 0.629 -0.957 RESID 93 (A): -0.531 ----- -0.934 0.433 -0.104 0.180 RESID 94 (D): 1.254 ----- -0.812 -1.202 -0.217 0.763 RESID 95 (S): -1.880 ----- -1.458 0.498 -0.080 -1.034 RESID 96 (R): 4.637 ----- -0.142 1.586 -0.287 0.396 RESID 97 (L): -0.944 ----- 1.669 0.393 -1.779 1.328 RESID 98 (V): 1.286 ----- 0.672 0.896 0.591 1.528 RESID 99 (V): -3.859 ----- 0.658 -0.667 1.035 1.159 RESID 100 (A): 0.812 ----- 0.826 2.030 -1.883 0.621 RESID 101 (K): -4.010 ----- -0.185 0.397 -0.487 -1.062 RESID 102 (N): -1.205 ----- 0.263 -2.246 -1.574 -0.225 RESID 103 (S): 0.073 ----- 2.723 0.706 0.386 0.090 RESID 104 (D): -0.775 ----- 1.705 -0.982 -0.598 0.006 RESID 105 (I): -1.197 ----- -0.714 3.179 -2.947 -0.343 RESID 106 (Q): -0.616 ----- 0.698 -0.667 2.026 -0.220 RESID 107 (P): ----- ----- -0.478 -1.767 -3.956 ----- RESID 108 (T): -3.160 ----- -0.371 -3.910 -1.043 0.835 RESID 109 (V): -1.644 ----- 0.371 0.846 -2.197 0.291 RESID 110 (E): -3.372 ----- -0.493 -0.896 -0.853 -0.356 RESID 111 (S): -0.060 ----- 0.752 -1.433 1.263 -1.132 RESID 112 (L): -4.312 ----- -0.009 -0.818 0.087 0.346 RESID 113 (K): 1.811 ----- 0.697 0.632 -1.406 -0.280 RESID 114 (G): 0.942 ----- -0.594 -0.115 ----- 0.096 RESID 115 (K): -1.139 ----- -1.326 -1.055 -1.286 0.663 RESID 116 (R): -1.592 ----- 0.332 -1.028 0.633 1.053 RESID 117 (V): 2.921 ----- 0.565 -0.079 -2.305 0.629 RESID 118 (G): 0.620 ----- -0.284 1.463 ----- 1.339 RESID 119 (V): -5.950 ----- 0.060 -2.181 -0.623 -0.140 RESID 120 (L): 0.243 ----- 1.234 -0.280 -1.447 0.130 RESID 121 (Q): 0.854 ----- -0.336 -0.427 -1.612 0.316 RESID 122 (G): -0.135 ----- 1.530 -0.235 ----- 0.683 RESID 123 (T): -1.789 ----- 2.345 0.279 2.875 -0.523 RESID 124 (T): 1.145 ----- 1.572 -0.814 -0.995 0.285 RESID 125 (Q): -1.743 ----- 0.163 1.961 -2.722 -0.757 RESID 126 (E): 2.137 ----- -1.307 -0.193 -0.909 -0.085 RESID 127 (T): 1.547 ----- -0.195 -0.493 -1.139 0.550 RESID 128 (F): -0.068 ----- 0.453 0.845 -0.120 0.229 RESID 129 (G): -0.116 ----- -0.381 -0.518 ----- -0.261 RESID 130 (N): 4.549 ----- 0.365 0.055 -0.625 0.346 RESID 131 (E): 2.295 ----- 0.804 1.238 -1.413 0.426 RESID 132 (H): -6.043 ----- 0.352 -1.888 0.700 0.006 RESID 133 (W): 1.885 ----- 0.622 -0.972 0.662 0.165 RESID 134 (A): 0.748 ----- 0.483 0.783 -0.821 1.178 RESID 135 (P): ----- ----- -0.161 0.324 -0.190 ----- RESID 136 (K): -0.396 ----- -1.127 -2.394 -0.619 -0.454 RESID 137 (G): -2.249 ----- 0.786 0.370 ----- 0.197 RESID 138 (I): 5.041 ----- -0.396 0.355 -1.771 -0.591 RESID 139 (E): 1.128 ----- -1.201 0.447 -1.750 -0.109 RESID 140 (I): 7.866 ----- 1.335 -1.934 -6.148 0.287 RESID 141 (V): 7.721 ----- -0.117 -0.080 -3.784 0.448 RESID 142 (S): 2.776 ----- 1.461 0.404 0.016 0.099 RESID 143 (Y): -2.729 ----- -0.465 -0.412 0.956 -0.294 RESID 144 (Q): -0.578 ----- 1.114 0.612 -1.389 0.231 RESID 145 (G): -0.571 ----- -0.660 -0.042 ----- -0.333 RESID 146 (Q): 1.391 ----- -0.148 -0.999 -0.444 0.088 RESID 147 (D): -0.531 ----- 0.423 -0.211 -0.852 -0.040 RESID 148 (N): -0.364 ----- -0.562 -0.558 0.581 -1.043 RESID 149 (I): 0.255 ----- -0.161 -0.548 -1.737 -0.382 RESID 150 (Y): -0.690 ----- 0.638 -1.923 -1.730 -0.510 RESID 151 (S): 2.026 ----- -0.061 -0.578 -0.299 -0.057 RESID 152 (D): -1.141 ----- 0.625 -0.294 -2.120 -0.171 RESID 153 (L): 2.937 ----- 1.767 0.614 -0.191 0.490 RESID 154 (T): -1.510 ----- 1.316 -1.500 -0.302 0.096 RESID 155 (A): 1.663 ----- 0.143 -0.690 -0.395 0.375 RESID 156 (G): 0.724 ----- -0.261 0.249 ----- -0.094 RESID 157 (R): -0.223 ----- 0.876 -0.356 -0.368 0.347 RESID 158 (I): -3.897 ----- -0.582 0.692 -1.015 -0.012 RESID 159 (D): -4.752 ----- -0.970 -0.431 1.922 0.169 RESID 160 (A): 0.006 ----- 0.578 -1.294 1.662 0.531 RESID 161 (A): 1.606 ----- -0.168 -0.500 -0.521 0.915 RESID 162 (F): 2.654 ----- -2.066 -3.703 0.567 0.590 RESID 163 (Q): 1.266 ----- -0.281 -0.081 1.245 -0.411 RESID 164 (D): 1.035 ----- -1.418 1.126 0.333 -0.120 RESID 165 (E): 5.712 ----- -0.411 0.112 0.196 -0.138 RESID 166 (V): 1.272 ----- 1.053 0.105 -0.173 0.572 RESID 167 (A): 3.021 ----- 3.415 0.308 -0.079 0.771 RESID 168 (A): -0.786 ----- 0.103 -0.388 0.357 0.515 RESID 169 (S): -0.919 ----- -0.595 -1.743 0.564 -0.024 RESID 170 (E): -4.832 ----- 1.382 -0.651 0.682 0.936 RESID 171 (G): -1.141 ----- -1.299 -0.254 ----- 0.790 RESID 172 (F): -2.528 ----- -1.991 -0.510 1.591 -1.042 RESID 173 (L): 0.588 ----- 0.515 0.871 -1.896 0.979 RESID 174 (K): -2.684 ----- 0.714 -0.844 -0.865 0.350 RESID 175 (Q): 1.781 ----- 2.075 0.265 -3.150 -0.118 RESID 176 (P): ----- ----- 1.721 0.677 -0.922 ----- RESID 177 (V): -5.267 ----- -1.784 -3.009 -0.282 -0.189 RESID 178 (G): 4.179 ----- 0.130 -2.025 ----- -0.676 RESID 179 (K): 1.737 ----- -0.488 -0.094 -1.048 -0.418 RESID 180 (D): 0.023 ----- -1.976 -1.982 -1.611 0.592 RESID 181 (Y): 5.504 ----- -1.194 0.154 -0.492 0.325 RESID 182 (K): -1.988 ----- 0.597 -2.110 2.289 0.638 RESID 183 (F): -3.245 ----- 2.644 -1.119 -4.611 0.304 RESID 184 (G): 4.655 ----- -1.576 1.981 ----- 0.296 RESID 185 (G): 2.205 ----- -1.747 -0.915 ----- -0.547 RESID 186 (P): ----- ----- -0.706 -2.502 0.806 ----- RESID 187 (S): -6.557 ----- -0.413 0.499 -2.443 0.110 RESID 188 (V): 1.440 ----- 0.269 -0.471 -2.031 1.217 RESID 189 (K): 2.728 ----- 2.621 -1.502 -0.952 -0.025 RESID 190 (D): -1.843 ----- -1.609 2.111 2.160 0.544 RESID 191 (E): 2.465 ----- -0.289 0.803 -1.111 0.382 RESID 192 (K): -1.075 ----- 0.344 -0.743 -0.486 -0.843 RESID 193 (L): 0.392 ----- -0.081 -1.147 0.236 1.207 RESID 194 (F): 3.310 ----- 2.376 -2.729 -2.556 0.733 RESID 195 (G): -1.998 ----- -0.381 -0.839 ----- -0.157 RESID 196 (V): -11.619 ----- -0.527 -3.262 -1.517 -0.269 RESID 197 (G): 2.881 ----- 0.282 -2.076 ----- 0.530 RESID 198 (T): -4.215 ----- -0.349 -0.223 -0.234 -0.168 RESID 199 (G): -4.255 ----- -0.440 -1.789 ----- 0.074 RESID 200 (M): 1.935 ----- 0.115 0.478 -2.182 -0.222 RESID 201 (G): 1.635 ----- -0.752 0.191 ----- 0.336 RESID 202 (L): -0.362 ----- 0.014 0.872 0.184 0.118 RESID 203 (R): 1.454 ----- 2.485 1.675 -1.654 2.152 RESID 204 (K): -1.203 ----- 0.553 -0.094 -0.307 0.561 RESID 205 (E): -3.290 ----- -0.208 -0.985 -1.126 0.804 RESID 206 (D): 5.110 ----- 0.818 0.071 -1.173 -0.813 RESID 207 (N): -0.339 ----- -0.111 0.465 -0.078 -0.867 RESID 208 (E): 1.549 ----- 1.413 0.887 -1.809 0.452 RESID 209 (L): 2.468 ----- -1.108 -0.152 -1.186 0.501 RESID 210 (R): 0.329 ----- -0.821 0.230 0.085 -0.746 RESID 211 (E): -3.048 ----- 1.270 -0.112 -0.996 0.532 RESID 212 (A): 0.813 ----- 1.635 0.093 -0.966 0.498 RESID 213 (L): 1.615 ----- -1.213 -0.474 0.241 0.299 RESID 214 (N): 2.687 ----- 1.847 -0.621 -0.797 0.113 RESID 215 (K): 2.474 ----- -0.118 -0.322 -0.742 -0.391 RESID 216 (A): 0.473 ----- -0.013 -0.747 0.439 -0.242 RESID 217 (F): -0.632 ----- 0.225 1.090 -1.068 0.603 RESID 218 (A): 0.089 ----- 2.421 -0.398 -1.337 -0.206 RESID 219 (E): 0.962 ----- -0.406 -0.271 -1.163 0.109 RESID 220 (M): 2.748 ----- 0.443 -2.058 0.171 0.117 RESID 221 (R): 0.850 ----- 0.429 -0.211 -2.383 0.236 RESID 222 (A): 0.406 ----- 0.361 -0.448 -0.535 0.097 RESID 223 (D): 0.366 ----- 0.644 -0.114 -0.905 0.102 RESID 224 (G): -2.081 ----- -0.023 -1.218 ----- -0.190 RESID 225 (T): 5.252 ----- 0.366 -0.266 -1.924 0.313 RESID 226 (Y): -0.211 ----- -0.926 0.161 0.082 0.390 RESID 227 (E): -0.539 ----- -0.517 -0.563 -0.337 -0.443 RESID 228 (K): -1.286 ----- 0.399 -0.243 -0.920 -0.840 RESID 229 (L): -0.300 ----- 0.448 -0.760 -0.375 -0.079 RESID 230 (A): -0.989 ----- 1.194 -0.673 -0.178 0.482 RESID 231 (K): -1.152 ----- -0.775 -1.549 -1.009 -0.045 RESID 232 (K): 0.321 ----- -2.385 -0.838 -1.505 -0.385 RESID 233 (Y): -3.027 ----- -0.772 -3.186 0.330 -1.035 RESID 234 (F): 2.607 ----- 2.353 -1.860 -1.728 -0.141 RESID 235 (D): 2.288 ----- -0.289 -0.555 0.758 0.284 RESID 236 (F): -5.109 ----- -0.070 -2.674 0.087 -0.721 RESID 237 (D): -2.164 ----- -1.256 0.425 -2.542 0.250 RESID 238 (V): 7.441 ----- -1.489 -3.221 0.634 -0.913 RESID 239 (Y): 4.394 ----- -2.040 0.853 0.230 0.445 RESID 240 (G): -0.269 ----- -0.267 0.629 ----- -0.957 DATA CS_STAT_INFO N RMS: 2.896 ppm Count: 226 Average Difference: -0.173 +/- 2.897 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.280 ppm Count: 236 Average Difference: -0.113 +/- 1.278 ppm DATA CS_STAT_INFO CA RMS: 1.332 ppm Count: 236 Average Difference: 0.529 +/- 1.226 ppm DATA CS_STAT_INFO CB RMS: 2.473 ppm Count: 215 Average Difference: 0.528 +/- 2.422 ppm DATA CS_STAT_INFO HN RMS: 0.591 ppm Count: 226 Average Difference: -0.117 +/- 0.580 ppm ############################################################################ For conformer 12: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.271 0.029 RESID 5 (I): C 174.300 174.300 174.344 -0.044 RESID 5 (I): CA 57.710 57.710 59.867 -2.157 RESID 5 (I): CB 37.260 37.260 37.777 -0.517 RESID 5 (I): H 7.868 7.868 8.220 -0.352 RESID 6 (P): C 176.100 176.100 177.538 -1.438 RESID 6 (P): CA 62.180 62.180 62.994 -0.814 RESID 6 (P): CB 31.620 31.620 32.097 -0.477 RESID 7 (Q): N 119.200 119.200 121.095 -1.895 RESID 7 (Q): C 175.600 175.600 175.521 0.079 RESID 7 (Q): CA 57.190 57.190 58.246 -1.056 RESID 7 (Q): CB 28.500 28.500 29.211 -0.711 RESID 7 (Q): H 8.380 8.380 8.663 -0.283 RESID 8 (N): N 116.300 116.300 114.194 2.106 RESID 8 (N): C 173.600 173.600 173.869 -0.269 RESID 8 (N): CA 51.720 51.720 52.351 -0.631 RESID 8 (N): CB 40.540 40.540 42.053 -1.512 RESID 8 (N): H 7.472 7.472 7.826 -0.354 RESID 9 (I): N 121.000 121.000 122.338 -1.338 RESID 9 (I): C 174.700 174.700 174.930 -0.230 RESID 9 (I): CA 59.480 59.480 59.972 -0.492 RESID 9 (I): CB 39.740 39.740 40.591 -0.851 RESID 9 (I): H 8.416 8.416 9.121 -0.705 RESID 10 (R): N 126.500 126.500 126.951 -0.451 RESID 10 (R): C 175.800 175.800 175.474 0.326 RESID 10 (R): CA 53.950 53.950 55.318 -1.368 RESID 10 (R): CB 30.670 30.670 31.483 -0.813 RESID 10 (R): H 9.098 9.098 8.437 0.661 RESID 11 (I): N 127.500 127.500 124.821 2.679 RESID 11 (I): C 175.600 175.600 175.121 0.479 RESID 11 (I): CA 59.480 59.480 59.276 0.204 RESID 11 (I): CB 37.460 37.460 41.789 -4.329 RESID 11 (I): H 9.279 9.279 9.096 0.183 RESID 12 (G): N 114.800 114.800 114.132 0.668 RESID 12 (G): C 171.700 171.700 173.156 -1.456 RESID 12 (G): CA 44.540 44.540 44.310 0.230 RESID 12 (G): H 9.382 9.382 8.460 0.922 RESID 13 (T): N 120.600 120.600 122.135 -1.535 RESID 13 (T): C 181.600 181.600 173.193 8.407 RESID 13 (T): CA 61.470 61.470 61.565 -0.095 RESID 13 (T): CB 69.970 69.970 71.330 -1.360 RESID 13 (T): H 8.594 8.594 7.841 0.753 RESID 14 (D): N 127.000 127.000 127.583 -0.583 RESID 14 (D): C 177.500 177.500 174.714 2.786 RESID 14 (D): CA 49.760 49.760 50.300 -0.540 RESID 14 (D): CB 40.580 40.580 42.390 -1.810 RESID 14 (D): H 8.200 8.200 8.669 -0.469 RESID 15 (P): C 175.400 175.400 176.575 -1.175 RESID 15 (P): CA 61.920 61.920 63.550 -1.630 RESID 15 (P): CB 27.890 27.890 32.250 -4.360 RESID 16 (T): N 116.200 116.200 111.498 4.702 RESID 16 (T): C 174.000 174.000 174.058 -0.058 RESID 16 (T): CA 59.560 59.560 62.134 -2.574 RESID 16 (T): CB 68.650 68.650 69.938 -1.288 RESID 16 (T): H 8.739 8.739 8.211 0.528 RESID 17 (Y): N 125.800 125.800 121.944 3.856 RESID 17 (Y): C 175.200 175.200 175.599 -0.399 RESID 17 (Y): CA 54.180 54.180 56.168 -1.988 RESID 17 (Y): CB 38.700 38.700 38.535 0.166 RESID 17 (Y): H 8.943 8.943 8.081 0.862 RESID 18 (A): N 132.100 132.100 129.646 2.454 RESID 18 (A): C 176.000 176.000 176.500 -0.500 RESID 18 (A): CA 51.490 51.490 56.091 -4.601 RESID 18 (A): CB 16.070 16.070 16.304 -0.234 RESID 18 (A): H 8.945 8.945 8.930 0.015 RESID 19 (P): C 173.500 173.500 177.931 -4.431 RESID 19 (P): CA 62.890 62.890 65.346 -2.455 RESID 19 (P): CB 31.790 31.790 31.617 0.173 RESID 20 (F): N 125.100 125.100 117.729 7.371 RESID 20 (F): C 176.700 176.700 175.314 1.386 RESID 20 (F): CA 62.420 62.420 59.552 2.868 RESID 20 (F): CB 37.980 37.980 40.973 -2.993 RESID 20 (F): H 8.117 8.117 8.306 -0.189 RESID 21 (E): N 111.800 111.800 114.381 -2.581 RESID 21 (E): C 173.600 173.600 174.500 -0.900 RESID 21 (E): CA 54.400 54.400 55.382 -0.982 RESID 21 (E): CB 28.770 28.770 34.236 -5.466 RESID 21 (E): H 7.701 7.701 8.689 -0.988 RESID 22 (S): N 117.200 117.200 112.965 4.235 RESID 22 (S): C 171.500 171.500 172.301 -0.801 RESID 22 (S): CA 57.290 57.290 58.589 -1.299 RESID 22 (S): CB 62.940 62.940 64.069 -1.129 RESID 22 (S): H 8.750 8.750 8.325 0.425 RESID 23 (K): N 117.400 117.400 119.450 -2.050 RESID 23 (K): C 177.600 177.600 175.057 2.543 RESID 23 (K): CA 53.700 53.700 55.319 -1.619 RESID 23 (K): CB 33.330 33.330 35.048 -1.718 RESID 23 (K): H 8.238 8.238 8.256 -0.018 RESID 24 (N): N 122.400 122.400 121.164 1.236 RESID 24 (N): C 178.000 178.000 177.105 0.895 RESID 24 (N): CA 50.600 50.600 52.169 -1.569 RESID 24 (N): CB 38.140 38.140 40.013 -1.873 RESID 24 (N): H 8.584 8.584 8.803 -0.219 RESID 25 (S): C 175.400 175.400 175.336 0.064 RESID 25 (S): CA 60.970 60.970 60.988 -0.018 RESID 25 (S): CB 62.410 62.410 62.554 -0.144 RESID 26 (Q): N 119.300 119.300 119.470 -0.170 RESID 26 (Q): C 176.200 176.200 176.731 -0.531 RESID 26 (Q): CA 55.180 55.180 55.525 -0.345 RESID 26 (Q): CB 28.260 28.260 28.718 -0.458 RESID 26 (Q): H 7.520 7.520 7.845 -0.325 RESID 27 (G): N 108.800 108.800 107.724 1.076 RESID 27 (G): C 173.700 173.700 174.086 -0.386 RESID 27 (G): CA 45.050 45.050 45.060 -0.010 RESID 27 (G): H 8.169 8.169 7.896 0.273 RESID 28 (E): N 121.200 121.200 120.766 0.434 RESID 28 (E): C 175.800 175.800 175.562 0.238 RESID 28 (E): CA 54.490 54.490 55.895 -1.405 RESID 28 (E): CB 29.750 29.750 30.656 -0.906 RESID 28 (E): H 7.836 7.836 8.057 -0.221 RESID 29 (L): N 123.500 123.500 120.879 2.621 RESID 29 (L): C 176.400 176.400 175.206 1.194 RESID 29 (L): CA 54.310 54.310 53.812 0.498 RESID 29 (L): CB 41.180 41.180 43.179 -1.999 RESID 29 (L): H 8.281 8.281 8.256 0.025 RESID 30 (V): N 118.200 118.200 122.038 -3.838 RESID 30 (V): C 175.300 175.300 173.516 1.784 RESID 30 (V): CA 58.360 58.360 60.046 -1.686 RESID 30 (V): CB 36.080 36.080 35.917 0.163 RESID 30 (V): H 8.900 8.900 7.646 1.254 RESID 31 (G): N 109.800 109.800 110.265 -0.465 RESID 31 (G): C 174.400 174.400 173.428 0.972 RESID 31 (G): CA 43.830 43.830 45.357 -1.527 RESID 31 (G): H 8.611 8.611 7.693 0.918 RESID 32 (F): N 119.900 119.900 122.509 -2.609 RESID 32 (F): C 177.900 177.900 175.991 1.909 RESID 32 (F): CA 59.800 59.800 60.892 -1.092 RESID 32 (F): CB 38.950 38.950 39.404 -0.454 RESID 32 (F): H 8.295 8.295 8.444 -0.149 RESID 33 (D): N 116.500 116.500 119.206 -2.706 RESID 33 (D): C 179.100 179.100 178.074 1.026 RESID 33 (D): CA 56.180 56.180 56.799 -0.619 RESID 33 (D): CB 38.610 38.610 40.418 -1.808 RESID 33 (D): H 8.935 8.935 7.413 1.522 RESID 34 (I): N 118.800 118.800 119.644 -0.844 RESID 34 (I): C 178.000 178.000 177.774 0.226 RESID 34 (I): CA 60.950 60.950 64.792 -3.842 RESID 34 (I): CB 33.620 33.620 37.816 -4.196 RESID 34 (I): H 6.535 6.535 7.811 -1.276 RESID 35 (D): N 121.000 121.000 119.583 1.417 RESID 35 (D): C 180.300 180.300 178.378 1.922 RESID 35 (D): CA 57.100 57.100 57.450 -0.351 RESID 35 (D): CB 40.420 40.420 40.303 0.117 RESID 35 (D): H 8.536 8.536 7.927 0.609 RESID 36 (L): N 120.500 120.500 121.075 -0.575 RESID 36 (L): C 178.500 178.500 178.057 0.443 RESID 36 (L): CA 57.720 57.720 57.807 -0.087 RESID 36 (L): CB 42.230 42.230 41.590 0.640 RESID 36 (L): H 8.508 8.508 7.205 1.303 RESID 37 (A): N 120.200 120.200 121.620 -1.420 RESID 37 (A): C 178.600 178.600 179.547 -0.947 RESID 37 (A): CA 55.170 55.170 55.250 -0.080 RESID 37 (A): CB 17.340 17.340 18.460 -1.120 RESID 37 (A): H 8.383 8.383 7.693 0.690 RESID 38 (K): N 116.400 116.400 119.312 -2.912 RESID 38 (K): C 180.100 180.100 179.112 0.988 RESID 38 (K): CA 60.530 60.530 60.132 0.398 RESID 38 (K): CB 31.840 31.840 32.356 -0.516 RESID 38 (K): H 8.780 8.780 8.165 0.615 RESID 39 (E): N 121.500 121.500 119.425 2.075 RESID 39 (E): C 178.300 178.300 179.361 -1.061 RESID 39 (E): CA 58.430 58.430 59.300 -0.870 RESID 39 (E): CB 27.990 27.990 29.481 -1.491 RESID 39 (E): H 7.692 7.692 7.745 -0.053 RESID 40 (L): N 121.500 121.500 120.492 1.008 RESID 40 (L): C 178.700 178.700 178.804 -0.104 RESID 40 (L): CA 58.490 58.490 58.284 0.206 RESID 40 (L): CB 40.250 40.250 41.781 -1.531 RESID 40 (L): H 8.563 8.563 7.820 0.743 RESID 41 (C): N 115.700 115.700 118.381 -2.681 RESID 41 (C): C 175.800 175.800 177.455 -1.655 RESID 41 (C): CA 62.390 62.390 62.756 -0.366 RESID 41 (C): CB 46.860 46.860 25.459 21.401 RESID 41 (C): H 8.598 8.598 8.675 -0.077 RESID 42 (K): N 119.300 119.300 119.682 -0.382 RESID 42 (K): C 180.800 180.800 179.111 1.689 RESID 42 (K): CA 58.810 58.810 59.446 -0.636 RESID 42 (K): CB 31.430 31.430 32.358 -0.928 RESID 42 (K): H 7.490 7.490 8.068 -0.578 RESID 43 (R): N 119.500 119.500 117.947 1.553 RESID 43 (R): C 178.700 178.700 178.665 0.035 RESID 43 (R): CA 58.760 58.760 58.450 0.310 RESID 43 (R): CB 29.980 29.980 30.209 -0.229 RESID 43 (R): H 8.057 8.057 7.649 0.408 RESID 44 (I): N 111.800 111.800 117.552 -5.752 RESID 44 (I): C 175.000 175.000 175.847 -0.847 RESID 44 (I): CA 60.940 60.940 63.089 -2.148 RESID 44 (I): CB 36.630 36.630 38.216 -1.586 RESID 44 (I): H 7.765 7.765 8.408 -0.643 RESID 45 (N): N 118.800 118.800 115.656 3.144 RESID 45 (N): C 173.600 173.600 173.943 -0.343 RESID 45 (N): CA 53.670 53.670 54.620 -0.951 RESID 45 (N): CB 36.620 36.620 35.917 0.703 RESID 45 (N): H 7.752 7.752 8.083 -0.331 RESID 46 (T): N 112.800 112.800 105.858 6.942 RESID 46 (T): C 173.100 173.100 172.856 0.244 RESID 46 (T): CA 60.020 60.020 60.247 -0.227 RESID 46 (T): CB 70.500 70.500 71.899 -1.399 RESID 46 (T): H 7.920 7.920 7.933 -0.013 RESID 47 (Q): N 123.500 123.500 120.050 3.450 RESID 47 (Q): C 175.400 175.400 174.583 0.817 RESID 47 (Q): CA 54.550 54.550 55.138 -0.588 RESID 47 (Q): CB 28.670 28.670 30.433 -1.763 RESID 47 (Q): H 8.037 8.037 8.378 -0.341 RESID 48 (C): N 123.800 123.800 124.406 -0.606 RESID 48 (C): C 173.800 173.800 174.382 -0.582 RESID 48 (C): CA 53.170 53.170 57.905 -4.735 RESID 48 (C): CB 47.290 47.290 29.418 17.872 RESID 48 (C): H 8.881 8.881 8.682 0.199 RESID 49 (T): N 118.600 118.600 120.466 -1.866 RESID 49 (T): C 172.700 172.700 172.549 0.151 RESID 49 (T): CA 60.210 60.210 61.275 -1.065 RESID 49 (T): CB 70.980 70.980 71.040 -0.060 RESID 49 (T): H 8.324 8.324 8.849 -0.525 RESID 50 (F): N 123.800 123.800 125.990 -2.190 RESID 50 (F): C 175.800 175.800 175.934 -0.134 RESID 50 (F): CA 57.370 57.370 57.360 0.010 RESID 50 (F): CB 40.730 40.730 40.349 0.381 RESID 50 (F): H 8.982 8.982 8.652 0.330 RESID 51 (V): N 126.300 126.300 123.571 2.729 RESID 51 (V): C 174.700 174.700 174.699 0.001 RESID 51 (V): CA 60.650 60.650 60.675 -0.025 RESID 51 (V): CB 33.700 33.700 35.459 -1.758 RESID 51 (V): H 9.271 9.271 9.072 0.199 RESID 52 (E): N 126.900 126.900 128.811 -1.911 RESID 52 (E): C 176.900 176.900 175.202 1.698 RESID 52 (E): CA 54.480 54.480 57.194 -2.714 RESID 52 (E): CB 29.350 29.350 30.460 -1.110 RESID 52 (E): H 8.617 8.617 8.773 -0.156 RESID 53 (N): N 127.100 127.100 120.064 7.036 RESID 53 (N): C 170.600 170.600 172.556 -1.956 RESID 53 (N): CA 51.220 51.220 51.543 -0.323 RESID 53 (N): CB 43.980 43.980 38.606 5.374 RESID 53 (N): H 8.917 8.917 8.232 0.685 RESID 54 (P): C 178.600 178.600 178.610 -0.010 RESID 54 (P): CA 61.650 61.650 62.351 -0.701 RESID 54 (P): CB 31.460 31.460 33.248 -1.788 RESID 55 (L): N 124.200 124.200 124.290 -0.090 RESID 55 (L): C 179.600 179.600 178.710 0.890 RESID 55 (L): CA 58.130 58.130 59.200 -1.070 RESID 55 (L): CB 41.470 41.470 41.493 -0.023 RESID 55 (L): H 9.096 9.096 8.702 0.394 RESID 56 (D): N 115.400 115.400 119.063 -3.663 RESID 56 (D): C 176.500 176.500 177.322 -0.822 RESID 56 (D): CA 56.080 56.080 56.853 -0.773 RESID 56 (D): CB 39.640 39.640 40.182 -0.542 RESID 56 (D): H 8.651 8.651 8.523 0.128 RESID 57 (A): N 120.400 120.400 119.943 0.457 RESID 57 (A): C 180.000 180.000 178.943 1.057 RESID 57 (A): CA 51.440 51.440 53.627 -2.187 RESID 57 (A): CB 19.170 19.170 19.644 -0.474 RESID 57 (A): H 8.079 8.079 8.366 -0.287 RESID 58 (L): N 122.300 122.300 121.068 1.232 RESID 58 (L): C 177.800 177.800 178.759 -0.959 RESID 58 (L): CA 58.960 58.960 58.045 0.914 RESID 58 (L): CB 40.150 40.150 41.880 -1.730 RESID 58 (L): H 7.783 7.783 8.069 -0.286 RESID 59 (I): N 119.600 119.600 119.544 0.056 RESID 59 (I): C 176.400 176.400 175.172 1.228 RESID 59 (I): CA 68.170 68.170 66.533 1.637 RESID 59 (I): CB 33.980 33.980 34.684 -0.704 RESID 59 (I): H 9.094 9.094 7.757 1.337 RESID 60 (P): C 180.100 180.100 179.218 0.882 RESID 60 (P): CA 65.890 65.890 66.523 -0.633 RESID 60 (P): CB 29.980 29.980 31.251 -1.271 RESID 61 (S): N 114.800 114.800 114.895 -0.095 RESID 61 (S): C 175.500 175.500 176.693 -1.193 RESID 61 (S): CA 62.170 62.170 61.846 0.324 RESID 61 (S): H 7.865 7.865 8.220 -0.355 RESID 62 (L): N 126.200 126.200 123.023 3.177 RESID 62 (L): C 181.000 181.000 178.988 2.012 RESID 62 (L): CA 57.400 57.400 57.727 -0.327 RESID 62 (L): CB 41.820 41.820 41.789 0.031 RESID 62 (L): H 8.296 8.296 8.127 0.169 RESID 63 (K): N 121.000 121.000 119.095 1.905 RESID 63 (K): C 178.000 178.000 177.890 0.110 RESID 63 (K): CA 59.500 59.500 59.161 0.339 RESID 63 (K): CB 30.770 30.770 32.491 -1.721 RESID 63 (K): H 8.461 8.461 7.750 0.711 RESID 64 (A): N 118.700 118.700 118.711 -0.011 RESID 64 (A): C 176.200 176.200 176.673 -0.473 RESID 64 (A): CA 51.680 51.680 52.006 -0.326 RESID 64 (A): CB 18.140 18.140 18.598 -0.458 RESID 64 (A): H 7.686 7.686 7.937 -0.251 RESID 65 (K): N 112.200 112.200 113.951 -1.751 RESID 65 (K): C 176.000 176.000 176.506 -0.506 RESID 65 (K): CA 57.800 57.800 57.992 -0.192 RESID 65 (K): CB 27.730 27.730 29.916 -2.186 RESID 65 (K): H 7.751 7.751 7.672 0.079 RESID 66 (K): N 118.300 118.300 115.440 2.860 RESID 66 (K): C 176.600 176.600 177.109 -0.509 RESID 66 (K): CA 57.200 57.200 58.447 -1.247 RESID 66 (K): CB 32.170 32.170 33.014 -0.844 RESID 66 (K): H 8.415 8.415 7.811 0.604 RESID 67 (I): N 107.500 107.500 112.442 -4.942 RESID 67 (I): C 174.000 174.000 175.381 -1.381 RESID 67 (I): CA 59.050 59.050 59.016 0.034 RESID 67 (I): CB 40.470 40.470 41.062 -0.592 RESID 67 (I): H 7.034 7.034 7.253 -0.219 RESID 68 (D): N 119.000 119.000 121.897 -2.897 RESID 68 (D): C 172.200 172.200 175.760 -3.560 RESID 68 (D): CA 55.560 55.560 55.434 0.126 RESID 68 (D): CB 44.210 44.210 42.567 1.643 RESID 68 (D): H 9.739 9.739 8.603 1.136 RESID 69 (A): N 117.400 117.400 118.085 -0.685 RESID 69 (A): C 175.900 175.900 174.840 1.060 RESID 69 (A): CA 50.120 50.120 51.182 -1.062 RESID 69 (A): CB 21.960 21.960 22.125 -0.165 RESID 69 (A): H 7.660 7.660 7.669 -0.009 RESID 70 (I): N 120.500 120.500 120.624 -0.124 RESID 70 (I): C 174.500 174.500 174.363 0.137 RESID 70 (I): CA 60.060 60.060 60.662 -0.602 RESID 70 (I): CB 41.190 41.190 40.971 0.219 RESID 70 (I): H 9.402 9.402 8.034 1.368 RESID 71 (M): N 128.300 128.300 129.087 -0.787 RESID 71 (M): C 172.500 172.500 174.077 -1.577 RESID 71 (M): CA 53.040 53.040 54.949 -1.909 RESID 71 (M): CB 33.940 33.940 34.373 -0.433 RESID 71 (M): H 8.431 8.431 8.280 0.151 RESID 72 (S): N 122.700 122.700 121.992 0.708 RESID 72 (S): C 172.800 172.800 173.519 -0.719 RESID 72 (S): CA 57.630 57.630 57.037 0.593 RESID 72 (S): CB 64.590 64.590 64.974 -0.384 RESID 72 (S): H 8.717 8.717 8.671 0.046 RESID 73 (S): N 120.600 120.600 115.939 4.661 RESID 73 (S): C 174.900 174.900 175.120 -0.220 RESID 73 (S): CA 58.590 58.590 59.955 -1.365 RESID 73 (S): CB 62.920 62.920 63.120 -0.200 RESID 73 (S): H 8.570 8.570 8.681 -0.111 RESID 74 (L): N 120.700 120.700 123.790 -3.090 RESID 74 (L): C 175.300 175.300 175.830 -0.530 RESID 74 (L): CA 54.320 54.320 55.451 -1.131 RESID 74 (L): CB 42.350 42.350 42.682 -0.332 RESID 74 (L): H 8.678 8.678 7.723 0.955 RESID 75 (S): N 122.000 122.000 119.859 2.141 RESID 75 (S): C 174.500 174.500 173.692 0.808 RESID 75 (S): CA 59.250 59.250 56.921 2.329 RESID 75 (S): CB 63.060 63.060 64.771 -1.711 RESID 75 (S): H 8.142 8.142 7.899 0.243 RESID 76 (I): N 125.200 125.200 115.761 9.439 RESID 76 (I): C 175.500 175.500 174.538 0.962 RESID 76 (I): CA 61.340 61.340 59.614 1.726 RESID 76 (I): CB 35.790 35.790 39.656 -3.866 RESID 76 (I): H 8.307 8.307 8.319 -0.012 RESID 77 (T): N 116.600 116.600 113.649 2.951 RESID 77 (T): C 174.800 174.800 175.069 -0.269 RESID 77 (T): CA 57.760 57.760 59.979 -2.219 RESID 77 (T): CB 71.570 71.570 72.299 -0.729 RESID 77 (T): H 6.513 6.513 7.541 -1.028 RESID 78 (E): N 124.500 124.500 125.013 -0.513 RESID 78 (E): C 179.500 179.500 177.869 1.631 RESID 78 (E): CA 59.140 59.140 60.872 -1.732 RESID 78 (E): CB 28.630 28.630 29.268 -0.638 RESID 78 (E): H 8.935 8.935 8.893 0.042 RESID 79 (K): N 118.400 118.400 118.336 0.064 RESID 79 (K): C 180.600 180.600 179.030 1.570 RESID 79 (K): CA 58.890 58.890 59.199 -0.309 RESID 79 (K): CB 31.610 31.610 32.300 -0.690 RESID 79 (K): H 8.415 8.415 8.363 0.052 RESID 80 (R): N 118.500 118.500 118.817 -0.317 RESID 80 (R): C 179.100 179.100 178.959 0.141 RESID 80 (R): CA 59.580 59.580 59.205 0.375 RESID 80 (R): CB 30.380 30.380 30.072 0.308 RESID 80 (R): H 7.678 7.678 7.398 0.280 RESID 81 (Q): N 119.000 119.000 119.707 -0.707 RESID 81 (Q): C 176.600 176.600 178.617 -2.017 RESID 81 (Q): CA 57.510 57.510 58.978 -1.468 RESID 81 (Q): CB 28.880 28.880 28.587 0.292 RESID 81 (Q): H 8.418 8.418 8.277 0.141 RESID 82 (Q): N 115.300 115.300 117.372 -2.072 RESID 82 (Q): C 177.400 177.400 177.978 -0.578 RESID 82 (Q): CA 57.280 57.280 58.343 -1.063 RESID 82 (Q): CB 27.950 27.950 28.527 -0.577 RESID 82 (Q): H 7.297 7.297 7.912 -0.615 RESID 83 (E): N 115.600 115.600 117.708 -2.108 RESID 83 (E): C 176.400 176.400 177.301 -0.901 RESID 83 (E): CA 56.950 56.950 58.371 -1.421 RESID 83 (E): CB 33.090 33.090 31.195 1.895 RESID 83 (E): H 7.627 7.627 7.924 -0.297 RESID 84 (I): N 115.100 115.100 111.835 3.265 RESID 84 (I): C 172.600 172.600 173.931 -1.331 RESID 84 (I): CA 59.380 59.380 58.913 0.467 RESID 84 (I): CB 40.830 40.830 41.502 -0.672 RESID 84 (I): H 8.275 8.275 7.978 0.297 RESID 85 (A): N 120.600 120.600 120.369 0.231 RESID 85 (A): C 175.000 175.000 175.237 -0.237 RESID 85 (A): CA 49.150 49.150 50.250 -1.100 RESID 85 (A): CB 22.280 22.280 21.447 0.833 RESID 85 (A): H 8.679 8.679 8.440 0.239 RESID 86 (F): N 115.500 115.500 119.041 -3.541 RESID 86 (F): C 178.800 178.800 175.831 2.969 RESID 86 (F): CA 55.850 55.850 56.862 -1.012 RESID 86 (F): CB 44.300 44.300 44.043 0.257 RESID 86 (F): H 8.283 8.283 8.610 -0.327 RESID 87 (T): N 108.200 108.200 114.938 -6.738 RESID 87 (T): C 174.700 174.700 173.799 0.901 RESID 87 (T): CA 61.930 61.930 61.174 0.756 RESID 87 (T): CB 72.740 72.740 70.038 2.702 RESID 87 (T): H 7.898 7.898 8.358 -0.460 RESID 88 (D): N 118.400 118.400 120.499 -2.099 RESID 88 (D): C 174.300 174.300 175.624 -1.324 RESID 88 (D): CA 55.030 55.030 55.769 -0.739 RESID 88 (D): CB 40.870 40.870 39.803 1.067 RESID 88 (D): H 8.789 8.789 8.794 -0.005 RESID 89 (K): N 118.100 118.100 116.513 1.587 RESID 89 (K): C 176.200 176.200 176.584 -0.384 RESID 89 (K): CA 55.570 55.570 57.283 -1.713 RESID 89 (K): CB 31.850 31.850 31.542 0.308 RESID 89 (K): H 7.666 7.666 7.687 -0.021 RESID 90 (L): N 123.400 123.400 126.394 -2.994 RESID 90 (L): C 178.000 178.000 177.674 0.326 RESID 90 (L): CA 54.450 54.450 57.188 -2.739 RESID 90 (L): CB 41.710 41.710 43.337 -1.627 RESID 90 (L): H 8.778 8.778 8.670 0.108 RESID 91 (Y): N 110.500 110.500 109.907 0.593 RESID 91 (Y): C 172.600 172.600 173.751 -1.151 RESID 91 (Y): CA 56.070 56.070 55.388 0.682 RESID 91 (Y): CB 37.670 37.670 40.508 -2.838 RESID 91 (Y): H 6.810 6.810 7.145 -0.335 RESID 92 (A): N 123.100 123.100 122.394 0.706 RESID 92 (A): C 175.600 175.600 176.751 -1.151 RESID 92 (A): CA 51.940 51.940 51.267 0.673 RESID 92 (A): CB 20.320 20.320 19.718 0.602 RESID 92 (A): H 8.135 8.135 9.087 -0.952 RESID 93 (A): N 127.000 127.000 127.384 -0.384 RESID 93 (A): C 175.700 175.700 176.609 -0.909 RESID 93 (A): CA 51.020 51.020 50.555 0.465 RESID 93 (A): CB 18.310 18.310 18.426 -0.116 RESID 93 (A): H 8.658 8.658 8.541 0.117 RESID 94 (D): N 122.900 122.900 121.675 1.225 RESID 94 (D): C 175.300 175.300 176.095 -0.795 RESID 94 (D): CA 53.910 53.910 55.046 -1.136 RESID 94 (D): CB 42.030 42.030 42.255 -0.225 RESID 94 (D): H 8.497 8.497 7.724 0.773 RESID 95 (S): N 110.300 110.300 112.264 -1.964 RESID 95 (S): C 171.600 171.600 173.058 -1.458 RESID 95 (S): CA 57.850 57.850 57.365 0.485 RESID 95 (S): CB 66.410 66.410 66.485 -0.075 RESID 95 (S): H 6.844 6.844 7.882 -1.038 RESID 96 (R): N 124.300 124.300 119.644 4.656 RESID 96 (R): C 173.700 173.700 173.840 -0.140 RESID 96 (R): CA 57.450 57.450 55.853 1.597 RESID 96 (R): CB 34.070 34.070 34.362 -0.292 RESID 96 (R): H 9.227 9.227 8.763 0.464 RESID 97 (L): N 124.100 124.100 124.994 -0.894 RESID 97 (L): C 177.600 177.600 175.931 1.669 RESID 97 (L): CA 54.150 54.150 53.824 0.326 RESID 97 (L): CB 42.640 42.640 44.370 -1.730 RESID 97 (L): H 9.343 9.343 8.017 1.326 RESID 98 (V): N 124.500 124.500 123.247 1.253 RESID 98 (V): C 175.700 175.700 175.032 0.668 RESID 98 (V): CA 61.770 61.770 60.874 0.896 RESID 98 (V): CB 32.950 32.950 32.456 0.494 RESID 98 (V): H 9.500 9.500 7.969 1.531 RESID 99 (V): N 116.800 116.800 120.688 -3.888 RESID 99 (V): C 174.600 174.600 173.972 0.628 RESID 99 (V): CA 58.190 58.190 58.803 -0.613 RESID 99 (V): CB 36.780 36.780 35.767 1.013 RESID 99 (V): H 9.192 9.192 8.073 1.119 RESID 100 (A): N 123.400 123.400 122.739 0.661 RESID 100 (A): C 179.200 179.200 178.240 0.960 RESID 100 (A): CA 52.690 52.690 50.670 2.019 RESID 100 (A): CB 18.160 18.160 20.115 -1.955 RESID 100 (A): H 9.043 9.043 8.323 0.720 RESID 101 (K): N 119.600 119.600 123.837 -4.237 RESID 101 (K): C 176.800 176.800 177.115 -0.315 RESID 101 (K): CA 59.360 59.360 58.886 0.474 RESID 101 (K): CB 31.380 31.380 31.979 -0.599 RESID 101 (K): H 7.840 7.840 8.892 -1.052 RESID 102 (N): N 114.400 114.400 115.607 -1.207 RESID 102 (N): C 175.500 175.500 175.230 0.270 RESID 102 (N): CA 52.330 52.330 54.576 -2.246 RESID 102 (N): CB 36.990 36.990 38.560 -1.570 RESID 102 (N): H 7.941 7.941 8.171 -0.230 RESID 103 (S): N 114.800 114.800 114.723 0.077 RESID 103 (S): C 176.000 176.000 173.274 2.726 RESID 103 (S): CA 58.180 58.180 57.459 0.721 RESID 103 (S): CB 64.310 64.310 63.911 0.399 RESID 103 (S): H 7.700 7.700 7.599 0.101 RESID 104 (D): N 128.500 128.500 129.281 -0.781 RESID 104 (D): C 176.700 176.700 174.987 1.713 RESID 104 (D): CA 52.990 52.990 53.972 -0.982 RESID 104 (D): CB 40.330 40.330 40.931 -0.600 RESID 104 (D): H 8.548 8.548 8.542 0.006 RESID 105 (I): N 122.800 122.800 123.932 -1.132 RESID 105 (I): C 173.800 173.800 174.505 -0.705 RESID 105 (I): CA 63.580 63.580 60.400 3.180 RESID 105 (I): CB 37.490 37.490 40.447 -2.957 RESID 105 (I): H 7.826 7.826 8.163 -0.337 RESID 106 (Q): N 124.600 124.600 125.187 -0.587 RESID 106 (Q): C 174.700 174.700 174.005 0.695 RESID 106 (Q): CA 51.380 51.380 52.043 -0.663 RESID 106 (Q): CB 31.050 31.050 29.046 2.005 RESID 106 (Q): H 8.174 8.174 8.385 -0.211 RESID 107 (P): C 175.300 175.300 175.776 -0.476 RESID 107 (P): CA 61.880 61.880 63.658 -1.778 RESID 107 (P): CB 26.860 26.860 30.788 -3.928 RESID 108 (T): N 114.600 114.600 117.715 -3.115 RESID 108 (T): C 174.000 174.000 174.376 -0.376 RESID 108 (T): CA 57.690 57.690 61.583 -3.893 RESID 108 (T): CB 71.020 71.020 72.078 -1.058 RESID 108 (T): H 8.531 8.531 7.709 0.822 RESID 109 (V): N 121.800 121.800 123.512 -1.712 RESID 109 (V): C 177.300 177.300 176.928 0.372 RESID 109 (V): CA 65.600 65.600 64.760 0.840 RESID 109 (V): CB 30.580 30.580 32.775 -2.195 RESID 109 (V): H 8.775 8.775 8.485 0.290 RESID 110 (E): N 116.900 116.900 120.839 -3.939 RESID 110 (E): C 178.400 178.400 178.649 -0.249 RESID 110 (E): CA 59.260 59.260 60.145 -0.885 RESID 110 (E): CB 28.170 28.170 29.046 -0.876 RESID 110 (E): H 8.414 8.414 8.385 0.029 RESID 111 (S): N 113.200 113.200 113.384 -0.184 RESID 111 (S): C 176.500 176.500 175.906 0.594 RESID 111 (S): CA 59.370 59.370 60.969 -1.599 RESID 111 (S): CB 63.730 63.730 62.514 1.216 RESID 111 (S): H 7.387 7.387 8.434 -1.047 RESID 112 (L): N 116.100 116.100 120.427 -4.327 RESID 112 (L): C 176.700 176.700 176.702 -0.002 RESID 112 (L): CA 54.580 54.580 55.407 -0.827 RESID 112 (L): CB 42.650 42.650 42.559 0.091 RESID 112 (L): H 7.676 7.676 7.327 0.349 RESID 113 (K): N 121.000 121.000 119.187 1.813 RESID 113 (K): C 178.200 178.200 177.494 0.706 RESID 113 (K): CA 58.850 58.850 58.220 0.630 RESID 113 (K): CB 30.850 30.850 32.246 -1.396 RESID 113 (K): H 7.445 7.445 7.713 -0.268 RESID 114 (G): N 113.900 113.900 112.958 0.942 RESID 114 (G): C 174.200 174.200 174.790 -0.590 RESID 114 (G): CA 45.240 45.240 45.344 -0.104 RESID 114 (G): H 8.454 8.454 8.358 0.096 RESID 115 (K): N 120.600 120.600 121.728 -1.128 RESID 115 (K): C 174.800 174.800 176.116 -1.316 RESID 115 (K): CA 53.710 53.710 54.745 -1.036 RESID 115 (K): CB 31.990 31.990 33.289 -1.299 RESID 115 (K): H 8.530 8.530 7.878 0.652 RESID 116 (R): N 119.300 119.300 120.860 -1.560 RESID 116 (R): C 176.000 176.000 175.678 0.322 RESID 116 (R): CA 54.720 54.720 55.719 -0.999 RESID 116 (R): CB 32.310 32.310 31.726 0.584 RESID 116 (R): H 9.455 9.455 8.421 1.034 RESID 117 (V): N 126.100 126.100 123.108 2.992 RESID 117 (V): C 175.300 175.300 174.726 0.574 RESID 117 (V): CA 60.090 60.090 60.176 -0.086 RESID 117 (V): CB 33.620 33.620 35.930 -2.310 RESID 117 (V): H 9.217 9.217 8.610 0.607 RESID 118 (G): N 114.000 114.000 113.404 0.596 RESID 118 (G): C 172.300 172.300 172.598 -0.298 RESID 118 (G): CA 45.010 45.010 43.575 1.435 RESID 118 (G): H 9.367 9.367 8.033 1.334 RESID 119 (V): N 116.400 116.400 122.587 -6.187 RESID 119 (V): C 174.100 174.100 174.047 0.053 RESID 119 (V): CA 58.270 58.270 60.455 -2.185 RESID 119 (V): CB 36.370 36.370 36.981 -0.612 RESID 119 (V): H 9.166 9.166 9.312 -0.146 RESID 120 (L): N 124.400 124.400 124.104 0.296 RESID 120 (L): C 176.900 176.900 175.644 1.256 RESID 120 (L): CA 53.690 53.690 53.970 -0.280 RESID 120 (L): CB 41.240 41.240 42.786 -1.546 RESID 120 (L): H 8.961 8.961 8.833 0.128 RESID 121 (Q): N 128.000 128.000 127.079 0.921 RESID 121 (Q): C 176.900 176.900 177.240 -0.340 RESID 121 (Q): CA 56.680 56.680 57.078 -0.398 RESID 121 (Q): CB 27.920 27.920 29.538 -1.618 RESID 121 (Q): H 9.305 9.305 8.982 0.323 RESID 122 (G): N 113.600 113.600 113.781 -0.181 RESID 122 (G): C 175.100 175.100 173.571 1.529 RESID 122 (G): CA 45.240 45.240 45.471 -0.231 RESID 122 (G): H 9.383 9.383 8.722 0.661 RESID 123 (T): N 108.400 108.400 110.186 -1.786 RESID 123 (T): C 176.800 176.800 174.464 2.336 RESID 123 (T): CA 60.260 60.260 59.977 0.283 RESID 123 (T): CB 73.530 73.530 70.662 2.868 RESID 123 (T): H 7.220 7.220 7.745 -0.525 RESID 124 (T): N 113.900 113.900 112.709 1.191 RESID 124 (T): C 178.100 178.100 176.530 1.570 RESID 124 (T): CA 63.990 63.990 64.774 -0.784 RESID 124 (T): CB 67.740 67.740 68.757 -1.017 RESID 124 (T): H 8.934 8.934 8.649 0.285 RESID 125 (Q): N 120.600 120.600 122.361 -1.761 RESID 125 (Q): C 178.300 178.300 178.118 0.182 RESID 125 (Q): CA 61.670 61.670 59.719 1.950 RESID 125 (Q): CB 25.310 25.310 28.039 -2.729 RESID 125 (Q): H 7.521 7.521 8.264 -0.743 RESID 126 (E): N 121.900 121.900 119.775 2.125 RESID 126 (E): C 177.600 177.600 178.907 -1.307 RESID 126 (E): CA 59.630 59.630 59.831 -0.201 RESID 126 (E): CB 28.730 28.730 29.643 -0.913 RESID 126 (E): H 7.717 7.717 7.803 -0.086 RESID 127 (T): N 117.800 117.800 116.239 1.561 RESID 127 (T): C 176.200 176.200 176.389 -0.189 RESID 127 (T): CA 66.340 66.340 66.832 -0.492 RESID 127 (T): CB 67.590 67.590 68.729 -1.139 RESID 127 (T): H 8.175 8.175 7.626 0.549 RESID 128 (F): N 121.900 121.900 121.983 -0.083 RESID 128 (F): C 178.000 178.000 177.538 0.462 RESID 128 (F): CA 61.590 61.590 60.754 0.836 RESID 128 (F): CB 38.810 38.810 38.930 -0.120 RESID 128 (F): H 8.882 8.882 8.641 0.241 RESID 129 (G): N 107.000 107.000 107.103 -0.103 RESID 129 (G): C 176.100 176.100 176.490 -0.390 RESID 129 (G): CA 46.690 46.690 47.197 -0.507 RESID 129 (G): H 8.900 8.900 9.167 -0.267 RESID 130 (N): N 123.000 123.000 118.452 4.548 RESID 130 (N): C 176.200 176.200 175.833 0.367 RESID 130 (N): CA 55.400 55.400 55.351 0.049 RESID 130 (N): CB 37.570 37.570 38.199 -0.629 RESID 130 (N): H 8.915 8.915 8.576 0.339 RESID 131 (E): N 119.000 119.000 116.691 2.309 RESID 131 (E): C 177.900 177.900 177.094 0.806 RESID 131 (E): CA 57.940 57.940 56.700 1.240 RESID 131 (E): CB 29.350 29.350 30.767 -1.417 RESID 131 (E): H 7.907 7.907 7.475 0.432 RESID 132 (H): N 112.600 112.600 118.649 -6.049 RESID 132 (H): C 175.900 175.900 175.544 0.356 RESID 132 (H): CA 56.910 56.910 58.801 -1.891 RESID 132 (H): CB 30.510 30.510 29.808 0.702 RESID 132 (H): H 7.877 7.877 7.879 -0.002 RESID 133 (W): N 119.300 119.300 117.426 1.874 RESID 133 (W): C 176.800 176.800 176.182 0.618 RESID 133 (W): CA 55.570 55.570 56.542 -0.972 RESID 133 (W): CB 30.400 30.400 29.734 0.666 RESID 133 (W): H 7.653 7.653 7.475 0.178 RESID 134 (A): N 125.400 125.400 124.654 0.746 RESID 134 (A): C 177.700 177.700 177.221 0.479 RESID 134 (A): CA 55.410 55.410 54.628 0.782 RESID 134 (A): CB 15.990 15.990 16.811 -0.820 RESID 134 (A): H 8.711 8.711 7.532 1.179 RESID 135 (P): C 177.200 177.200 177.385 -0.185 RESID 135 (P): CA 64.510 64.510 64.198 0.312 RESID 135 (P): CB 30.800 30.800 30.983 -0.183 RESID 136 (K): N 115.800 115.800 116.200 -0.400 RESID 136 (K): C 176.500 176.500 177.624 -1.124 RESID 136 (K): CA 53.530 53.530 55.922 -2.392 RESID 136 (K): CB 31.430 31.430 32.044 -0.614 RESID 136 (K): H 7.665 7.665 8.133 -0.468 RESID 137 (G): N 106.100 106.100 108.342 -2.242 RESID 137 (G): C 174.300 174.300 173.515 0.785 RESID 137 (G): CA 45.740 45.740 45.362 0.378 RESID 137 (G): H 7.864 7.864 7.667 0.197 RESID 138 (I): N 124.400 124.400 119.372 5.028 RESID 138 (I): C 174.400 174.400 174.806 -0.406 RESID 138 (I): CA 60.460 60.460 60.117 0.343 RESID 138 (I): CB 38.080 38.080 39.838 -1.758 RESID 138 (I): H 6.889 6.889 7.483 -0.594 RESID 139 (E): N 128.400 128.400 127.331 1.069 RESID 139 (E): C 173.900 173.900 175.101 -1.201 RESID 139 (E): CA 56.050 56.050 55.617 0.433 RESID 139 (E): CB 29.490 29.490 31.235 -1.745 RESID 139 (E): H 8.230 8.230 8.333 -0.103 RESID 140 (I): N 129.500 129.500 121.606 7.894 RESID 140 (I): C 176.100 176.100 174.765 1.335 RESID 140 (I): CA 57.100 57.100 59.032 -1.932 RESID 140 (I): CB 34.440 34.440 40.614 -6.174 RESID 140 (I): H 8.642 8.642 8.352 0.290 RESID 141 (V): N 133.000 133.000 125.192 7.808 RESID 141 (V): C 174.400 174.400 174.512 -0.112 RESID 141 (V): CA 61.060 61.060 61.155 -0.095 RESID 141 (V): CB 32.410 32.410 36.208 -3.798 RESID 141 (V): H 9.387 9.387 8.954 0.433 RESID 142 (S): N 122.900 122.900 120.111 2.789 RESID 142 (S): C 175.000 175.000 173.543 1.457 RESID 142 (S): CA 57.710 57.710 57.369 0.341 RESID 142 (S): CB 63.710 63.710 63.745 -0.035 RESID 142 (S): H 8.490 8.490 8.395 0.095 RESID 143 (Y): N 123.400 123.400 126.101 -2.701 RESID 143 (Y): C 175.900 175.900 176.398 -0.498 RESID 143 (Y): CA 57.300 57.300 57.721 -0.421 RESID 143 (Y): CB 42.300 42.300 41.325 0.975 RESID 143 (Y): H 8.979 8.979 9.276 -0.297 RESID 144 (Q): N 119.500 119.500 120.067 -0.567 RESID 144 (Q): C 176.000 176.000 174.907 1.093 RESID 144 (Q): CA 56.490 56.490 55.916 0.575 RESID 144 (Q): CB 28.470 28.470 29.863 -1.393 RESID 144 (Q): H 8.974 8.974 8.744 0.230 RESID 145 (G): N 106.800 106.800 107.326 -0.526 RESID 145 (G): C 173.500 173.500 174.163 -0.663 RESID 145 (G): CA 44.300 44.300 44.341 -0.041 RESID 145 (G): H 7.531 7.531 7.861 -0.330 RESID 146 (Q): N 124.300 124.300 122.881 1.419 RESID 146 (Q): C 177.200 177.200 177.349 -0.149 RESID 146 (Q): CA 57.800 57.800 58.799 -0.999 RESID 146 (Q): CB 28.190 28.190 28.628 -0.438 RESID 146 (Q): H 8.949 8.949 8.860 0.089 RESID 147 (D): N 117.900 117.900 118.471 -0.571 RESID 147 (D): C 178.900 178.900 178.488 0.412 RESID 147 (D): CA 56.650 56.650 56.912 -0.262 RESID 147 (D): CB 38.890 38.890 39.737 -0.847 RESID 147 (D): H 8.746 8.746 8.787 -0.041 RESID 148 (N): N 117.500 117.500 117.681 -0.181 RESID 148 (N): C 176.700 176.700 177.245 -0.545 RESID 148 (N): CA 55.160 55.160 55.601 -0.441 RESID 148 (N): CB 38.700 38.700 38.094 0.605 RESID 148 (N): H 7.496 7.496 8.552 -1.056 RESID 149 (I): N 120.000 120.000 119.698 0.302 RESID 149 (I): C 177.400 177.400 177.568 -0.168 RESID 149 (I): CA 64.450 64.450 65.053 -0.603 RESID 149 (I): CB 35.900 35.900 37.565 -1.665 RESID 149 (I): H 6.793 6.793 7.090 -0.297 RESID 150 (Y): N 117.400 117.400 118.246 -0.846 RESID 150 (Y): C 178.800 178.800 178.023 0.777 RESID 150 (Y): CA 59.730 59.730 61.668 -1.938 RESID 150 (Y): CB 35.970 35.970 37.625 -1.655 RESID 150 (Y): H 6.897 6.897 7.388 -0.491 RESID 151 (S): N 117.000 117.000 114.919 2.081 RESID 151 (S): C 177.000 177.000 177.014 -0.014 RESID 151 (S): CA 61.300 61.300 61.687 -0.387 RESID 151 (S): CB 62.100 62.100 62.237 -0.138 RESID 151 (S): H 8.186 8.186 8.257 -0.071 RESID 152 (D): N 122.300 122.300 123.059 -0.759 RESID 152 (D): C 179.000 179.000 178.270 0.730 RESID 152 (D): CA 56.580 56.580 56.822 -0.242 RESID 152 (D): CB 38.240 38.240 40.417 -2.178 RESID 152 (D): H 7.541 7.541 7.701 -0.160 RESID 153 (L): N 124.100 124.100 121.462 2.638 RESID 153 (L): C 180.300 180.300 179.243 1.057 RESID 153 (L): CA 58.160 58.160 57.647 0.513 RESID 153 (L): CB 41.630 41.630 41.838 -0.208 RESID 153 (L): H 8.372 8.372 7.853 0.519 RESID 154 (T): N 111.900 111.900 114.819 -2.919 RESID 154 (T): C 176.700 176.700 175.201 1.499 RESID 154 (T): CA 63.920 63.920 65.639 -1.719 RESID 154 (T): CB 68.700 68.700 68.919 -0.219 RESID 154 (T): H 8.389 8.389 8.437 -0.048 RESID 155 (A): N 121.800 121.800 120.152 1.648 RESID 155 (A): C 178.200 178.200 178.045 0.155 RESID 155 (A): CA 51.640 51.640 52.304 -0.664 RESID 155 (A): CB 18.990 18.990 19.337 -0.347 RESID 155 (A): H 7.444 7.444 7.065 0.379 RESID 156 (G): N 107.800 107.800 107.160 0.640 RESID 156 (G): C 175.100 175.100 175.387 -0.287 RESID 156 (G): CA 45.420 45.420 45.199 0.221 RESID 156 (G): H 7.921 7.921 7.916 0.005 RESID 157 (R): N 119.000 119.000 119.202 -0.202 RESID 157 (R): C 176.600 176.600 175.717 0.883 RESID 157 (R): CA 57.260 57.260 57.608 -0.348 RESID 157 (R): CB 30.400 30.400 30.758 -0.357 RESID 157 (R): H 8.443 8.443 8.097 0.346 RESID 158 (I): N 108.900 108.900 112.887 -3.987 RESID 158 (I): C 173.700 173.700 174.295 -0.595 RESID 158 (I): CA 59.900 59.900 59.222 0.678 RESID 158 (I): CB 40.070 40.070 41.012 -0.942 RESID 158 (I): H 7.109 7.109 7.124 -0.015 RESID 159 (D): N 119.100 119.100 123.954 -4.854 RESID 159 (D): C 174.700 174.700 175.663 -0.963 RESID 159 (D): CA 55.900 55.900 56.322 -0.422 RESID 159 (D): CB 43.630 43.630 41.712 1.918 RESID 159 (D): H 8.737 8.737 8.546 0.191 RESID 160 (A): N 116.400 116.400 116.425 -0.025 RESID 160 (A): C 174.900 174.900 174.332 0.568 RESID 160 (A): CA 50.190 50.190 51.479 -1.289 RESID 160 (A): CB 23.030 23.030 21.396 1.634 RESID 160 (A): H 7.702 7.702 7.167 0.535 RESID 161 (A): N 123.400 123.400 121.836 1.564 RESID 161 (A): C 175.500 175.500 175.658 -0.158 RESID 161 (A): CA 49.730 49.730 50.235 -0.505 RESID 161 (A): CB 21.110 21.110 21.615 -0.505 RESID 161 (A): H 8.915 8.915 8.001 0.914 RESID 162 (F): N 125.100 125.100 122.495 2.605 RESID 162 (F): C 172.900 172.900 174.982 -2.082 RESID 162 (F): CA 54.500 54.500 58.230 -3.731 RESID 162 (F): CB 39.400 39.400 38.835 0.565 RESID 162 (F): H 8.971 8.971 8.414 0.557 RESID 163 (Q): N 124.600 124.600 123.370 1.230 RESID 163 (Q): C 173.400 173.400 173.682 -0.282 RESID 163 (Q): CA 53.550 53.550 53.642 -0.092 RESID 163 (Q): CB 34.390 34.390 33.141 1.249 RESID 163 (Q): H 7.904 7.904 8.292 -0.388 RESID 164 (D): N 122.300 122.300 121.297 1.003 RESID 164 (D): C 175.800 175.800 177.218 -1.418 RESID 164 (D): CA 55.540 55.540 54.413 1.127 RESID 164 (D): CB 42.370 42.370 42.040 0.330 RESID 164 (D): H 8.304 8.304 8.428 -0.124 RESID 165 (E): N 128.600 128.600 122.813 5.787 RESID 165 (E): C 177.700 177.700 178.100 -0.400 RESID 165 (E): CA 60.230 60.230 60.105 0.125 RESID 165 (E): CB 30.020 30.020 29.800 0.220 RESID 165 (E): H 8.605 8.605 8.730 -0.125 RESID 166 (V): N 120.100 120.100 118.812 1.288 RESID 166 (V): C 178.300 178.300 177.276 1.024 RESID 166 (V): CA 66.800 66.800 66.704 0.096 RESID 166 (V): CB 30.070 30.070 30.262 -0.192 RESID 166 (V): H 8.748 8.748 8.164 0.584 RESID 167 (A): N 123.200 123.200 120.183 3.017 RESID 167 (A): C 182.500 182.500 179.094 3.406 RESID 167 (A): CA 54.980 54.980 54.692 0.288 RESID 167 (A): CB 17.910 17.910 17.994 -0.084 RESID 167 (A): H 8.655 8.655 7.902 0.753 RESID 168 (A): N 121.300 121.300 122.116 -0.816 RESID 168 (A): C 179.800 179.800 179.697 0.103 RESID 168 (A): CA 54.180 54.180 54.557 -0.377 RESID 168 (A): CB 18.750 18.750 18.383 0.367 RESID 168 (A): H 8.349 8.349 7.807 0.542 RESID 169 (S): N 113.400 113.400 114.296 -0.896 RESID 169 (S): C 175.700 175.700 176.254 -0.554 RESID 169 (S): CA 61.050 61.050 62.778 -1.728 RESID 169 (S): CB 63.050 63.050 62.526 0.524 RESID 169 (S): H 8.058 8.058 8.049 0.009 RESID 170 (E): N 115.600 115.600 120.372 -4.772 RESID 170 (E): C 178.800 178.800 177.320 1.480 RESID 170 (E): CA 57.610 57.610 58.174 -0.564 RESID 170 (E): CB 29.790 29.790 29.156 0.634 RESID 170 (E): H 8.824 8.824 7.891 0.933 RESID 171 (G): N 103.400 103.400 104.481 -1.081 RESID 171 (G): C 173.700 173.700 175.003 -1.303 RESID 171 (G): CA 44.970 44.970 45.213 -0.243 RESID 171 (G): H 8.154 8.154 7.369 0.785 RESID 172 (F): N 120.100 120.100 122.638 -2.538 RESID 172 (F): C 175.200 175.200 177.181 -1.981 RESID 172 (F): CA 60.690 60.690 61.179 -0.489 RESID 172 (F): CB 40.740 40.740 39.134 1.606 RESID 172 (F): H 7.297 7.297 8.309 -1.012 RESID 173 (L): N 117.800 117.800 117.132 0.668 RESID 173 (L): C 179.000 179.000 178.458 0.542 RESID 173 (L): CA 57.670 57.670 56.775 0.895 RESID 173 (L): CB 40.020 40.020 41.889 -1.869 RESID 173 (L): H 8.470 8.470 7.465 1.005 RESID 174 (K): N 114.600 114.600 117.272 -2.672 RESID 174 (K): C 176.900 176.900 176.170 0.730 RESID 174 (K): CA 56.450 56.450 57.266 -0.816 RESID 174 (K): CB 31.770 31.770 32.578 -0.808 RESID 174 (K): H 8.018 8.018 7.554 0.464 RESID 175 (Q): N 118.800 118.800 116.997 1.803 RESID 175 (Q): C 176.000 176.000 173.913 2.087 RESID 175 (Q): CA 52.510 52.510 52.217 0.293 RESID 175 (Q): CB 26.740 26.740 29.864 -3.124 RESID 175 (Q): H 7.151 7.151 7.253 -0.102 RESID 176 (P): C 179.300 179.300 177.311 1.989 RESID 176 (P): CA 66.100 66.100 65.424 0.676 RESID 176 (P): CB 30.720 30.720 31.520 -0.800 RESID 177 (V): N 112.300 112.300 117.339 -5.039 RESID 177 (V): C 175.900 175.900 177.882 -1.982 RESID 177 (V): CA 62.860 62.860 65.965 -3.105 RESID 177 (V): CB 30.660 30.660 30.547 0.113 RESID 177 (V): H 7.480 7.480 7.677 -0.197 RESID 178 (G): N 109.700 109.700 105.724 3.976 RESID 178 (G): C 175.000 175.000 174.791 0.209 RESID 178 (G): CA 44.080 44.080 46.203 -2.123 RESID 178 (G): H 7.173 7.173 7.901 -0.728 RESID 179 (K): N 120.900 120.900 119.195 1.705 RESID 179 (K): C 177.100 177.100 177.589 -0.489 RESID 179 (K): CA 58.360 58.360 58.466 -0.106 RESID 179 (K): CB 31.260 31.260 32.316 -1.056 RESID 179 (K): H 6.972 6.972 7.394 -0.422 RESID 180 (D): N 117.200 117.200 117.119 0.081 RESID 180 (D): C 173.900 173.900 175.882 -1.982 RESID 180 (D): CA 53.920 53.920 55.911 -1.992 RESID 180 (D): CB 39.690 39.690 41.277 -1.587 RESID 180 (D): H 8.036 8.036 7.454 0.582 RESID 181 (Y): N 120.500 120.500 114.977 5.523 RESID 181 (Y): C 172.300 172.300 173.491 -1.191 RESID 181 (Y): CA 57.890 57.890 57.738 0.152 RESID 181 (Y): CB 41.860 41.860 42.363 -0.503 RESID 181 (Y): H 7.768 7.768 7.448 0.320 RESID 182 (K): N 116.900 116.900 118.845 -1.945 RESID 182 (K): C 174.900 174.900 174.307 0.593 RESID 182 (K): CA 54.330 54.330 56.445 -2.115 RESID 182 (K): CB 35.610 35.610 33.317 2.293 RESID 182 (K): H 9.497 9.497 8.865 0.632 RESID 183 (F): N 117.900 117.900 121.147 -3.247 RESID 183 (F): C 177.800 177.800 175.144 2.656 RESID 183 (F): CA 56.780 56.780 57.899 -1.119 RESID 183 (F): CB 38.320 38.320 42.959 -4.639 RESID 183 (F): H 8.470 8.470 8.151 0.319 RESID 184 (G): N 113.700 113.700 108.986 4.714 RESID 184 (G): C 173.300 173.300 174.862 -1.562 RESID 184 (G): CA 46.900 46.900 44.914 1.986 RESID 184 (G): H 9.107 9.107 8.811 0.296 RESID 185 (G): N 111.000 111.000 108.765 2.235 RESID 185 (G): C 171.100 171.100 172.842 -1.742 RESID 185 (G): CA 44.530 44.530 45.447 -0.917 RESID 185 (G): H 7.702 7.702 8.245 -0.543 RESID 186 (P): C 175.500 175.500 176.211 -0.711 RESID 186 (P): CA 61.920 61.920 64.418 -2.498 RESID 186 (P): CB 32.640 32.640 31.825 0.816 RESID 187 (S): N 113.500 113.500 119.552 -6.052 RESID 187 (S): C 173.500 173.500 173.765 -0.265 RESID 187 (S): CA 57.930 57.930 57.380 0.550 RESID 187 (S): CB 63.260 63.260 65.833 -2.573 RESID 187 (S): H 8.452 8.452 8.377 0.075 RESID 188 (V): N 123.300 123.300 122.329 0.971 RESID 188 (V): C 173.900 173.900 173.734 0.166 RESID 188 (V): CA 61.800 61.800 61.716 0.084 RESID 188 (V): CB 32.680 32.680 34.224 -1.544 RESID 188 (V): H 9.080 9.080 7.955 1.125 RESID 189 (K): N 125.200 125.200 121.942 3.258 RESID 189 (K): C 176.700 176.700 174.073 2.627 RESID 189 (K): CA 54.680 54.680 56.255 -1.575 RESID 189 (K): CB 33.780 33.780 34.446 -0.666 RESID 189 (K): H 8.123 8.123 8.175 -0.052 RESID 190 (D): N 120.300 120.300 122.119 -1.819 RESID 190 (D): C 175.300 175.300 176.904 -1.604 RESID 190 (D): CA 55.610 55.610 53.489 2.120 RESID 190 (D): CB 42.620 42.620 40.479 2.141 RESID 190 (D): H 8.823 8.823 8.262 0.561 RESID 191 (E): N 129.100 129.100 126.617 2.483 RESID 191 (E): C 177.300 177.300 177.596 -0.296 RESID 191 (E): CA 59.310 59.310 58.486 0.824 RESID 191 (E): CB 28.420 28.420 29.525 -1.105 RESID 191 (E): H 9.239 9.239 8.858 0.381 RESID 192 (K): N 118.000 118.000 119.059 -1.059 RESID 192 (K): C 178.200 178.200 177.840 0.360 RESID 192 (K): CA 58.140 58.140 58.868 -0.728 RESID 192 (K): CB 31.690 31.690 32.176 -0.486 RESID 192 (K): H 7.918 7.918 8.761 -0.843 RESID 193 (L): N 118.200 118.200 117.760 0.440 RESID 193 (L): C 177.700 177.700 177.790 -0.090 RESID 193 (L): CA 55.790 55.790 56.928 -1.138 RESID 193 (L): CB 42.330 42.330 42.091 0.239 RESID 193 (L): H 8.362 8.362 7.158 1.204 RESID 194 (F): N 116.800 116.800 113.479 3.321 RESID 194 (F): C 178.200 178.200 175.809 2.391 RESID 194 (F): CA 54.620 54.620 57.333 -2.713 RESID 194 (F): CB 37.390 37.390 39.976 -2.586 RESID 194 (F): H 8.036 8.036 7.295 0.741 RESID 195 (G): N 106.900 106.900 108.890 -1.990 RESID 195 (G): C 174.200 174.200 174.571 -0.371 RESID 195 (G): CA 44.120 44.120 44.936 -0.816 RESID 195 (G): H 7.510 7.510 7.665 -0.155 RESID 196 (V): N 112.400 112.400 124.058 -11.658 RESID 196 (V): C 175.300 175.300 175.828 -0.528 RESID 196 (V): CA 60.720 60.720 63.973 -3.253 RESID 196 (V): CB 30.630 30.630 32.127 -1.497 RESID 196 (V): H 8.064 8.064 8.334 -0.270 RESID 197 (G): N 108.100 108.100 105.212 2.888 RESID 197 (G): C 172.300 172.300 172.026 0.274 RESID 197 (G): CA 43.210 43.210 45.273 -2.063 RESID 197 (G): H 7.788 7.788 7.251 0.537 RESID 198 (T): N 109.200 109.200 113.433 -4.233 RESID 198 (T): C 172.800 172.800 173.156 -0.356 RESID 198 (T): CA 59.090 59.090 59.330 -0.240 RESID 198 (T): CB 71.080 71.080 71.284 -0.204 RESID 198 (T): H 7.796 7.796 7.967 -0.171 RESID 199 (G): N 103.900 103.900 108.170 -4.270 RESID 199 (G): C 171.800 171.800 172.264 -0.464 RESID 199 (G): CA 43.840 43.840 45.606 -1.766 RESID 199 (G): H 7.928 7.928 7.843 0.085 RESID 200 (M): N 121.400 121.400 119.435 1.965 RESID 200 (M): C 176.200 176.200 176.104 0.096 RESID 200 (M): CA 55.260 55.260 54.811 0.449 RESID 200 (M): CB 33.390 33.390 35.529 -2.139 RESID 200 (M): H 7.971 7.971 8.229 -0.258 RESID 201 (G): N 112.200 112.200 110.535 1.665 RESID 201 (G): C 172.000 172.000 172.754 -0.754 RESID 201 (G): CA 44.540 44.540 44.357 0.183 RESID 201 (G): H 8.818 8.818 8.453 0.365 RESID 202 (L): N 124.700 124.700 125.038 -0.338 RESID 202 (L): C 176.000 176.000 175.976 0.024 RESID 202 (L): CA 53.740 53.740 52.852 0.888 RESID 202 (L): CB 46.010 46.010 45.867 0.143 RESID 202 (L): H 8.767 8.767 8.669 0.098 RESID 203 (R): N 121.600 121.600 120.130 1.470 RESID 203 (R): C 180.400 180.400 177.911 2.489 RESID 203 (R): CA 57.130 57.130 55.467 1.663 RESID 203 (R): CB 29.650 29.650 31.287 -1.637 RESID 203 (R): H 10.270 10.270 8.125 2.145 RESID 204 (K): N 123.200 123.200 124.451 -1.251 RESID 204 (K): C 178.200 178.200 177.654 0.546 RESID 204 (K): CA 59.570 59.570 59.672 -0.102 RESID 204 (K): CB 31.840 31.840 32.148 -0.307 RESID 204 (K): H 9.231 9.231 8.671 0.560 RESID 205 (E): N 113.800 113.800 117.103 -3.303 RESID 205 (E): C 177.700 177.700 177.907 -0.207 RESID 205 (E): CA 57.230 57.230 58.218 -0.988 RESID 205 (E): CB 27.770 27.770 28.898 -1.128 RESID 205 (E): H 9.026 9.026 8.221 0.805 RESID 206 (D): N 126.000 126.000 120.885 5.115 RESID 206 (D): C 177.300 177.300 176.490 0.810 RESID 206 (D): CA 53.710 53.710 53.644 0.066 RESID 206 (D): CB 37.530 37.530 38.706 -1.176 RESID 206 (D): H 7.253 7.253 8.068 -0.815 RESID 207 (N): N 120.100 120.100 120.454 -0.354 RESID 207 (N): C 176.900 176.900 177.010 -0.110 RESID 207 (N): CA 56.950 56.950 56.496 0.454 RESID 207 (N): CB 38.820 38.820 38.895 -0.075 RESID 207 (N): H 7.839 7.839 8.705 -0.866 RESID 208 (E): N 120.500 120.500 118.953 1.547 RESID 208 (E): C 179.900 179.900 178.494 1.406 RESID 208 (E): CA 59.870 59.870 58.976 0.894 RESID 208 (E): CB 27.630 27.630 29.434 -1.804 RESID 208 (E): H 8.776 8.776 8.332 0.444 RESID 209 (L): N 122.900 122.900 120.417 2.483 RESID 209 (L): C 177.100 177.100 178.201 -1.101 RESID 209 (L): CA 57.400 57.400 57.560 -0.160 RESID 209 (L): CB 40.660 40.660 41.848 -1.188 RESID 209 (L): H 8.366 8.366 7.869 0.497 RESID 210 (R): N 119.100 119.100 118.762 0.338 RESID 210 (R): C 177.400 177.400 178.208 -0.808 RESID 210 (R): CA 59.970 59.970 59.735 0.235 RESID 210 (R): CB 30.110 30.110 30.022 0.088 RESID 210 (R): H 7.582 7.582 8.321 -0.739 RESID 211 (E): N 116.200 116.200 119.250 -3.050 RESID 211 (E): C 179.800 179.800 178.533 1.267 RESID 211 (E): CA 59.150 59.150 59.266 -0.116 RESID 211 (E): CB 28.600 28.600 29.593 -0.993 RESID 211 (E): H 8.407 8.407 7.869 0.538 RESID 212 (A): N 123.500 123.500 122.673 0.827 RESID 212 (A): C 181.300 181.300 179.665 1.635 RESID 212 (A): CA 54.810 54.810 54.721 0.090 RESID 212 (A): CB 17.170 17.170 18.135 -0.965 RESID 212 (A): H 8.128 8.128 7.624 0.504 RESID 213 (L): N 121.200 121.200 119.576 1.624 RESID 213 (L): C 178.400 178.400 179.608 -1.208 RESID 213 (L): CA 57.710 57.710 58.177 -0.467 RESID 213 (L): CB 41.450 41.450 41.207 0.243 RESID 213 (L): H 8.364 8.364 8.057 0.307 RESID 214 (N): N 119.200 119.200 116.522 2.678 RESID 214 (N): C 179.700 179.700 177.847 1.853 RESID 214 (N): CA 55.260 55.260 55.886 -0.626 RESID 214 (N): CB 37.120 37.120 37.919 -0.799 RESID 214 (N): H 8.435 8.435 8.319 0.116 RESID 215 (K): N 123.800 123.800 121.323 2.477 RESID 215 (K): C 178.400 178.400 178.516 -0.116 RESID 215 (K): CA 59.090 59.090 59.407 -0.317 RESID 215 (K): CB 31.740 31.740 32.479 -0.739 RESID 215 (K): H 8.080 8.080 8.454 -0.374 RESID 216 (A): N 122.200 122.200 121.714 0.486 RESID 216 (A): C 179.500 179.500 179.502 -0.002 RESID 216 (A): CA 54.140 54.140 54.877 -0.737 RESID 216 (A): CB 18.700 18.700 18.255 0.445 RESID 216 (A): H 7.935 7.935 8.170 -0.235 RESID 217 (F): N 119.500 119.500 120.112 -0.612 RESID 217 (F): C 177.200 177.200 176.940 0.260 RESID 217 (F): CA 61.390 61.390 60.285 1.105 RESID 217 (F): CB 38.000 38.000 39.054 -1.054 RESID 217 (F): H 8.916 8.916 8.296 0.620 RESID 218 (A): N 121.300 121.300 121.166 0.134 RESID 218 (A): C 182.100 182.100 179.676 2.424 RESID 218 (A): CA 54.810 54.810 55.195 -0.385 RESID 218 (A): CB 16.650 16.650 17.981 -1.331 RESID 218 (A): H 7.956 7.956 8.143 -0.187 RESID 219 (E): N 120.000 120.000 119.028 0.972 RESID 219 (E): C 178.600 178.600 178.999 -0.399 RESID 219 (E): CA 59.040 59.040 59.297 -0.257 RESID 219 (E): CB 28.320 28.320 29.480 -1.160 RESID 219 (E): H 7.952 7.952 7.812 0.140 RESID 220 (M): N 120.900 120.900 118.131 2.769 RESID 220 (M): C 179.000 179.000 178.546 0.454 RESID 220 (M): CA 57.430 57.430 59.461 -2.031 RESID 220 (M): CB 32.620 32.620 32.444 0.176 RESID 220 (M): H 8.190 8.190 8.138 0.052 RESID 221 (R): N 119.200 119.200 118.348 0.852 RESID 221 (R): C 179.300 179.300 178.872 0.428 RESID 221 (R): CA 58.710 58.710 58.921 -0.211 RESID 221 (R): CB 27.480 27.480 29.845 -2.365 RESID 221 (R): H 7.762 7.762 7.516 0.246 RESID 222 (A): N 122.500 122.500 122.084 0.416 RESID 222 (A): C 179.300 179.300 178.940 0.360 RESID 222 (A): CA 54.180 54.180 54.633 -0.453 RESID 222 (A): CB 18.030 18.030 18.547 -0.517 RESID 222 (A): H 7.838 7.838 7.720 0.118 RESID 223 (D): N 115.100 115.100 114.715 0.385 RESID 223 (D): C 177.900 177.900 177.246 0.654 RESID 223 (D): CA 53.020 53.020 53.136 -0.116 RESID 223 (D): CB 39.570 39.570 40.507 -0.937 RESID 223 (D): H 8.091 8.091 7.966 0.125 RESID 224 (G): N 106.700 106.700 108.741 -2.041 RESID 224 (G): C 176.000 176.000 175.996 0.004 RESID 224 (G): CA 45.070 45.070 46.259 -1.189 RESID 224 (G): H 7.199 7.199 7.374 -0.175 RESID 225 (T): N 122.400 122.400 117.156 5.244 RESID 225 (T): C 175.700 175.700 175.249 0.451 RESID 225 (T): CA 67.610 67.610 67.887 -0.277 RESID 225 (T): CB 66.840 66.840 68.750 -1.910 RESID 225 (T): H 9.095 9.095 8.798 0.297 RESID 226 (Y): N 121.500 121.500 121.659 -0.159 RESID 226 (Y): C 176.000 176.000 176.901 -0.901 RESID 226 (Y): CA 62.530 62.530 62.226 0.304 RESID 226 (Y): CB 38.410 38.410 38.266 0.144 RESID 226 (Y): H 8.040 8.040 7.623 0.417 RESID 227 (E): N 118.200 118.200 118.672 -0.472 RESID 227 (E): C 178.200 178.200 178.679 -0.479 RESID 227 (E): CA 58.940 58.940 59.428 -0.488 RESID 227 (E): CB 28.810 28.810 29.111 -0.301 RESID 227 (E): H 8.153 8.153 8.574 -0.421 RESID 228 (K): N 119.100 119.100 120.519 -1.419 RESID 228 (K): C 179.500 179.500 179.087 0.413 RESID 228 (K): CA 59.260 59.260 59.527 -0.267 RESID 228 (K): CB 31.520 31.520 32.431 -0.911 RESID 228 (K): H 7.558 7.558 8.366 -0.808 RESID 229 (L): N 119.100 119.100 119.326 -0.226 RESID 229 (L): C 179.300 179.300 178.869 0.431 RESID 229 (L): CA 56.970 56.970 57.738 -0.768 RESID 229 (L): CB 41.520 41.520 41.729 -0.209 RESID 229 (L): H 8.055 8.055 8.132 -0.077 RESID 230 (A): N 121.200 121.200 122.057 -0.857 RESID 230 (A): C 180.500 180.500 179.229 1.271 RESID 230 (A): CA 54.890 54.890 55.442 -0.552 RESID 230 (A): CB 17.570 17.570 17.717 -0.147 RESID 230 (A): H 8.901 8.901 8.245 0.656 RESID 231 (K): N 117.200 117.200 118.095 -0.895 RESID 231 (K): C 177.700 177.700 178.241 -0.541 RESID 231 (K): CA 57.370 57.370 58.817 -1.447 RESID 231 (K): CB 31.330 31.330 32.391 -1.060 RESID 231 (K): H 8.062 8.062 8.150 -0.088 RESID 232 (K): N 117.600 117.600 116.910 0.690 RESID 232 (K): C 176.800 176.800 179.362 -2.562 RESID 232 (K): CA 57.890 57.890 58.827 -0.937 RESID 232 (K): CB 31.150 31.150 32.785 -1.635 RESID 232 (K): H 7.053 7.053 7.597 -0.544 RESID 233 (Y): N 114.000 114.000 117.145 -3.145 RESID 233 (Y): C 175.100 175.100 175.780 -0.680 RESID 233 (Y): CA 58.110 58.110 61.258 -3.147 RESID 233 (Y): CB 39.360 39.360 39.016 0.344 RESID 233 (Y): H 7.013 7.013 8.265 -1.252 RESID 234 (F): N 116.400 116.400 113.449 2.951 RESID 234 (F): C 175.800 175.800 173.448 2.352 RESID 234 (F): CA 54.920 54.920 56.710 -1.790 RESID 234 (F): CB 41.260 41.260 42.824 -1.564 RESID 234 (F): H 8.038 8.038 8.191 -0.153 RESID 235 (D): N 123.000 123.000 121.090 1.910 RESID 235 (D): C 174.500 174.500 174.831 -0.331 RESID 235 (D): CA 52.680 52.680 53.295 -0.615 RESID 235 (D): CB 39.860 39.860 39.410 0.450 RESID 235 (D): H 8.879 8.879 8.569 0.310 RESID 236 (F): N 115.500 115.500 120.704 -5.204 RESID 236 (F): C 173.600 173.600 173.703 -0.103 RESID 236 (F): CA 53.950 53.950 56.654 -2.704 RESID 236 (F): CB 39.860 39.860 39.746 0.114 RESID 236 (F): H 6.793 6.793 7.405 -0.612 RESID 237 (D): N 119.700 119.700 121.944 -2.244 RESID 237 (D): C 175.800 175.800 177.121 -1.321 RESID 237 (D): CA 52.980 52.980 52.630 0.350 RESID 237 (D): CB 39.210 39.210 41.765 -2.555 RESID 237 (D): H 8.831 8.831 8.615 0.216 RESID 238 (V): N 129.900 129.900 122.531 7.369 RESID 238 (V): C 175.200 175.200 176.692 -1.492 RESID 238 (V): CA 61.840 61.840 65.114 -3.273 RESID 238 (V): CB 32.500 32.500 31.889 0.612 RESID 238 (V): H 7.376 7.376 8.370 -0.994 RESID 239 (Y): N 123.500 123.500 119.030 4.470 RESID 239 (Y): C 176.500 176.500 178.544 -2.044 RESID 239 (Y): CA 61.920 61.920 61.109 0.811 RESID 239 (Y): CB 38.010 38.010 37.697 0.313 RESID 239 (Y): H 8.314 8.314 7.917 0.397 RESID 240 (G): N 104.100 104.100 104.568 -0.468 RESID 240 (G): C 174.600 174.600 174.882 -0.282 RESID 240 (G): CA 45.930 45.930 45.326 0.604 RESID 240 (G): H 7.428 7.428 8.394 -0.966 N HA C CA CB H RESID 6 (P): ----- ----- -1.438 -0.814 -0.477 ----- RESID 7 (Q): -1.895 ----- 0.079 -1.056 -0.711 -0.283 RESID 8 (N): 2.106 ----- -0.269 -0.631 -1.512 -0.354 RESID 9 (I): -1.338 ----- -0.230 -0.492 -0.851 -0.705 RESID 10 (R): -0.451 ----- 0.326 -1.368 -0.813 0.661 RESID 11 (I): 2.679 ----- 0.479 0.204 -4.329 0.183 RESID 12 (G): 0.668 ----- -1.456 0.230 ----- 0.922 RESID 13 (T): -1.535 ----- 8.407 -0.095 -1.360 0.753 RESID 14 (D): -0.583 ----- 2.786 -0.540 -1.810 -0.469 RESID 15 (P): ----- ----- -1.175 -1.630 -4.360 ----- RESID 16 (T): 4.702 ----- -0.058 -2.574 -1.288 0.528 RESID 17 (Y): 3.856 ----- -0.399 -1.988 0.166 0.862 RESID 18 (A): 2.454 ----- -0.500 -4.601 -0.234 0.015 RESID 19 (P): ----- ----- -4.431 -2.455 0.173 ----- RESID 20 (F): 7.371 ----- 1.386 2.868 -2.993 -0.189 RESID 21 (E): -2.581 ----- -0.900 -0.982 -5.466 -0.988 RESID 22 (S): 4.235 ----- -0.801 -1.299 -1.129 0.425 RESID 23 (K): -2.050 ----- 2.543 -1.619 -1.718 -0.018 RESID 24 (N): 1.236 ----- 0.895 -1.569 -1.873 -0.219 RESID 25 (S): ----- ----- 0.064 -0.018 -0.144 ----- RESID 26 (Q): -0.170 ----- -0.531 -0.345 -0.458 -0.325 RESID 27 (G): 1.076 ----- -0.386 -0.010 ----- 0.273 RESID 28 (E): 0.434 ----- 0.238 -1.405 -0.906 -0.221 RESID 29 (L): 2.621 ----- 1.194 0.498 -1.999 0.025 RESID 30 (V): -3.838 ----- 1.784 -1.686 0.163 1.254 RESID 31 (G): -0.465 ----- 0.972 -1.527 ----- 0.918 RESID 32 (F): -2.609 ----- 1.909 -1.092 -0.454 -0.149 RESID 33 (D): -2.706 ----- 1.026 -0.619 -1.808 1.522 RESID 34 (I): -0.844 ----- 0.226 -3.842 -4.196 -1.276 RESID 35 (D): 1.417 ----- 1.922 -0.351 0.117 0.609 RESID 36 (L): -0.575 ----- 0.443 -0.087 0.640 1.303 RESID 37 (A): -1.420 ----- -0.947 -0.080 -1.120 0.690 RESID 38 (K): -2.912 ----- 0.988 0.398 -0.516 0.615 RESID 39 (E): 2.075 ----- -1.061 -0.870 -1.491 -0.053 RESID 40 (L): 1.008 ----- -0.104 0.206 -1.531 0.743 RESID 41 (C): -2.681 ----- -1.655 -0.366 21.401 -0.077 RESID 42 (K): -0.382 ----- 1.689 -0.636 -0.928 -0.578 RESID 43 (R): 1.553 ----- 0.035 0.310 -0.229 0.408 RESID 44 (I): -5.752 ----- -0.847 -2.148 -1.586 -0.643 RESID 45 (N): 3.144 ----- -0.343 -0.951 0.703 -0.331 RESID 46 (T): 6.942 ----- 0.244 -0.227 -1.399 -0.013 RESID 47 (Q): 3.450 ----- 0.817 -0.588 -1.763 -0.341 RESID 48 (C): -0.606 ----- -0.582 -4.735 17.872 0.199 RESID 49 (T): -1.866 ----- 0.151 -1.065 -0.060 -0.525 RESID 50 (F): -2.190 ----- -0.134 0.010 0.381 0.330 RESID 51 (V): 2.729 ----- 0.001 -0.025 -1.758 0.199 RESID 52 (E): -1.911 ----- 1.698 -2.714 -1.110 -0.156 RESID 53 (N): 7.036 ----- -1.956 -0.323 5.374 0.685 RESID 54 (P): ----- ----- -0.010 -0.701 -1.788 ----- RESID 55 (L): -0.090 ----- 0.890 -1.070 -0.023 0.394 RESID 56 (D): -3.663 ----- -0.822 -0.773 -0.542 0.128 RESID 57 (A): 0.457 ----- 1.057 -2.187 -0.474 -0.287 RESID 58 (L): 1.232 ----- -0.959 0.914 -1.730 -0.286 RESID 59 (I): 0.056 ----- 1.228 1.637 -0.704 1.337 RESID 60 (P): ----- ----- 0.882 -0.633 -1.271 ----- RESID 61 (S): -0.095 ----- -1.193 0.324 ----- -0.355 RESID 62 (L): 3.177 ----- 2.012 -0.327 0.031 0.169 RESID 63 (K): 1.905 ----- 0.110 0.339 -1.721 0.711 RESID 64 (A): -0.011 ----- -0.473 -0.326 -0.458 -0.251 RESID 65 (K): -1.751 ----- -0.506 -0.192 -2.186 0.079 RESID 66 (K): 2.860 ----- -0.509 -1.247 -0.844 0.604 RESID 67 (I): -4.942 ----- -1.381 0.034 -0.592 -0.219 RESID 68 (D): -2.897 ----- -3.560 0.126 1.643 1.136 RESID 69 (A): -0.685 ----- 1.060 -1.062 -0.165 -0.009 RESID 70 (I): -0.124 ----- 0.137 -0.602 0.219 1.368 RESID 71 (M): -0.787 ----- -1.577 -1.909 -0.433 0.151 RESID 72 (S): 0.708 ----- -0.719 0.593 -0.384 0.046 RESID 73 (S): 4.661 ----- -0.220 -1.365 -0.200 -0.111 RESID 74 (L): -3.090 ----- -0.530 -1.131 -0.332 0.955 RESID 75 (S): 2.141 ----- 0.808 2.329 -1.711 0.243 RESID 76 (I): 9.439 ----- 0.962 1.726 -3.866 -0.012 RESID 77 (T): 2.951 ----- -0.269 -2.219 -0.729 -1.028 RESID 78 (E): -0.513 ----- 1.631 -1.732 -0.638 0.042 RESID 79 (K): 0.064 ----- 1.570 -0.309 -0.690 0.052 RESID 80 (R): -0.317 ----- 0.141 0.375 0.308 0.280 RESID 81 (Q): -0.707 ----- -2.017 -1.468 0.292 0.141 RESID 82 (Q): -2.072 ----- -0.578 -1.063 -0.577 -0.615 RESID 83 (E): -2.108 ----- -0.901 -1.421 1.895 -0.297 RESID 84 (I): 3.265 ----- -1.331 0.467 -0.672 0.297 RESID 85 (A): 0.231 ----- -0.237 -1.100 0.833 0.239 RESID 86 (F): -3.541 ----- 2.969 -1.012 0.257 -0.327 RESID 87 (T): -6.738 ----- 0.901 0.756 2.702 -0.460 RESID 88 (D): -2.099 ----- -1.324 -0.739 1.067 -0.005 RESID 89 (K): 1.587 ----- -0.384 -1.713 0.308 -0.021 RESID 90 (L): -2.994 ----- 0.326 -2.739 -1.627 0.108 RESID 91 (Y): 0.593 ----- -1.151 0.682 -2.838 -0.335 RESID 92 (A): 0.706 ----- -1.151 0.673 0.602 -0.952 RESID 93 (A): -0.384 ----- -0.909 0.465 -0.116 0.117 RESID 94 (D): 1.225 ----- -0.795 -1.136 -0.225 0.773 RESID 95 (S): -1.964 ----- -1.458 0.485 -0.075 -1.038 RESID 96 (R): 4.656 ----- -0.140 1.597 -0.292 0.464 RESID 97 (L): -0.894 ----- 1.669 0.326 -1.730 1.326 RESID 98 (V): 1.253 ----- 0.668 0.896 0.494 1.531 RESID 99 (V): -3.888 ----- 0.628 -0.613 1.013 1.119 RESID 100 (A): 0.661 ----- 0.960 2.019 -1.955 0.720 RESID 101 (K): -4.237 ----- -0.315 0.474 -0.599 -1.052 RESID 102 (N): -1.207 ----- 0.270 -2.246 -1.570 -0.230 RESID 103 (S): 0.077 ----- 2.726 0.721 0.399 0.101 RESID 104 (D): -0.781 ----- 1.713 -0.982 -0.600 0.006 RESID 105 (I): -1.132 ----- -0.705 3.180 -2.957 -0.337 RESID 106 (Q): -0.587 ----- 0.695 -0.663 2.005 -0.211 RESID 107 (P): ----- ----- -0.476 -1.778 -3.928 ----- RESID 108 (T): -3.115 ----- -0.376 -3.893 -1.058 0.822 RESID 109 (V): -1.712 ----- 0.372 0.840 -2.195 0.290 RESID 110 (E): -3.939 ----- -0.249 -0.885 -0.876 0.029 RESID 111 (S): -0.184 ----- 0.594 -1.599 1.216 -1.047 RESID 112 (L): -4.327 ----- -0.002 -0.827 0.091 0.349 RESID 113 (K): 1.813 ----- 0.706 0.630 -1.396 -0.268 RESID 114 (G): 0.942 ----- -0.590 -0.104 ----- 0.096 RESID 115 (K): -1.128 ----- -1.316 -1.036 -1.299 0.652 RESID 116 (R): -1.560 ----- 0.322 -0.999 0.584 1.034 RESID 117 (V): 2.992 ----- 0.574 -0.086 -2.310 0.607 RESID 118 (G): 0.596 ----- -0.298 1.435 ----- 1.334 RESID 119 (V): -6.187 ----- 0.053 -2.185 -0.612 -0.146 RESID 120 (L): 0.296 ----- 1.256 -0.280 -1.546 0.128 RESID 121 (Q): 0.921 ----- -0.340 -0.398 -1.618 0.323 RESID 122 (G): -0.181 ----- 1.529 -0.231 ----- 0.661 RESID 123 (T): -1.786 ----- 2.336 0.283 2.868 -0.525 RESID 124 (T): 1.191 ----- 1.570 -0.784 -1.017 0.285 RESID 125 (Q): -1.761 ----- 0.182 1.950 -2.729 -0.743 RESID 126 (E): 2.125 ----- -1.307 -0.201 -0.913 -0.086 RESID 127 (T): 1.561 ----- -0.189 -0.492 -1.139 0.549 RESID 128 (F): -0.083 ----- 0.462 0.836 -0.120 0.241 RESID 129 (G): -0.103 ----- -0.390 -0.507 ----- -0.267 RESID 130 (N): 4.548 ----- 0.367 0.049 -0.629 0.339 RESID 131 (E): 2.309 ----- 0.806 1.240 -1.417 0.432 RESID 132 (H): -6.049 ----- 0.356 -1.891 0.702 -0.002 RESID 133 (W): 1.874 ----- 0.618 -0.972 0.666 0.178 RESID 134 (A): 0.746 ----- 0.479 0.782 -0.820 1.179 RESID 135 (P): ----- ----- -0.185 0.312 -0.183 ----- RESID 136 (K): -0.400 ----- -1.124 -2.392 -0.614 -0.468 RESID 137 (G): -2.242 ----- 0.785 0.378 ----- 0.197 RESID 138 (I): 5.028 ----- -0.406 0.343 -1.758 -0.594 RESID 139 (E): 1.069 ----- -1.201 0.433 -1.745 -0.103 RESID 140 (I): 7.894 ----- 1.335 -1.932 -6.174 0.290 RESID 141 (V): 7.808 ----- -0.112 -0.095 -3.798 0.433 RESID 142 (S): 2.789 ----- 1.457 0.341 -0.035 0.095 RESID 143 (Y): -2.701 ----- -0.498 -0.421 0.975 -0.297 RESID 144 (Q): -0.567 ----- 1.093 0.575 -1.393 0.230 RESID 145 (G): -0.526 ----- -0.663 -0.041 ----- -0.330 RESID 146 (Q): 1.419 ----- -0.149 -0.999 -0.438 0.089 RESID 147 (D): -0.571 ----- 0.412 -0.262 -0.847 -0.041 RESID 148 (N): -0.181 ----- -0.545 -0.441 0.605 -1.056 RESID 149 (I): 0.302 ----- -0.168 -0.603 -1.665 -0.297 RESID 150 (Y): -0.846 ----- 0.777 -1.938 -1.655 -0.491 RESID 151 (S): 2.081 ----- -0.014 -0.387 -0.138 -0.071 RESID 152 (D): -0.759 ----- 0.730 -0.242 -2.178 -0.160 RESID 153 (L): 2.638 ----- 1.057 0.513 -0.208 0.519 RESID 154 (T): -2.919 ----- 1.499 -1.719 -0.219 -0.048 RESID 155 (A): 1.648 ----- 0.155 -0.664 -0.347 0.379 RESID 156 (G): 0.640 ----- -0.287 0.221 ----- 0.005 RESID 157 (R): -0.202 ----- 0.883 -0.348 -0.357 0.346 RESID 158 (I): -3.987 ----- -0.595 0.678 -0.942 -0.015 RESID 159 (D): -4.854 ----- -0.963 -0.422 1.918 0.191 RESID 160 (A): -0.025 ----- 0.568 -1.289 1.634 0.535 RESID 161 (A): 1.564 ----- -0.158 -0.505 -0.505 0.914 RESID 162 (F): 2.605 ----- -2.082 -3.731 0.565 0.557 RESID 163 (Q): 1.230 ----- -0.282 -0.092 1.249 -0.388 RESID 164 (D): 1.003 ----- -1.418 1.127 0.330 -0.124 RESID 165 (E): 5.787 ----- -0.400 0.125 0.220 -0.125 RESID 166 (V): 1.288 ----- 1.024 0.096 -0.192 0.584 RESID 167 (A): 3.017 ----- 3.406 0.288 -0.084 0.753 RESID 168 (A): -0.816 ----- 0.103 -0.377 0.367 0.542 RESID 169 (S): -0.896 ----- -0.554 -1.728 0.524 0.009 RESID 170 (E): -4.772 ----- 1.480 -0.564 0.634 0.933 RESID 171 (G): -1.081 ----- -1.303 -0.243 ----- 0.785 RESID 172 (F): -2.538 ----- -1.981 -0.489 1.606 -1.012 RESID 173 (L): 0.668 ----- 0.542 0.895 -1.869 1.005 RESID 174 (K): -2.672 ----- 0.730 -0.816 -0.808 0.464 RESID 175 (Q): 1.803 ----- 2.087 0.293 -3.124 -0.102 RESID 176 (P): ----- ----- 1.989 0.676 -0.800 ----- RESID 177 (V): -5.039 ----- -1.982 -3.105 0.113 -0.197 RESID 178 (G): 3.976 ----- 0.209 -2.123 ----- -0.728 RESID 179 (K): 1.705 ----- -0.489 -0.106 -1.056 -0.422 RESID 180 (D): 0.081 ----- -1.982 -1.992 -1.587 0.582 RESID 181 (Y): 5.523 ----- -1.191 0.152 -0.503 0.320 RESID 182 (K): -1.945 ----- 0.593 -2.115 2.293 0.632 RESID 183 (F): -3.247 ----- 2.656 -1.119 -4.639 0.319 RESID 184 (G): 4.714 ----- -1.562 1.986 ----- 0.296 RESID 185 (G): 2.235 ----- -1.742 -0.917 ----- -0.543 RESID 186 (P): ----- ----- -0.711 -2.498 0.816 ----- RESID 187 (S): -6.052 ----- -0.265 0.550 -2.573 0.075 RESID 188 (V): 0.971 ----- 0.166 0.084 -1.544 1.125 RESID 189 (K): 3.258 ----- 2.627 -1.575 -0.666 -0.052 RESID 190 (D): -1.819 ----- -1.604 2.120 2.141 0.561 RESID 191 (E): 2.483 ----- -0.296 0.824 -1.105 0.381 RESID 192 (K): -1.059 ----- 0.360 -0.728 -0.486 -0.843 RESID 193 (L): 0.440 ----- -0.090 -1.138 0.239 1.204 RESID 194 (F): 3.321 ----- 2.391 -2.713 -2.586 0.741 RESID 195 (G): -1.990 ----- -0.371 -0.816 ----- -0.155 RESID 196 (V): -11.658 ----- -0.528 -3.253 -1.497 -0.270 RESID 197 (G): 2.888 ----- 0.274 -2.063 ----- 0.537 RESID 198 (T): -4.233 ----- -0.356 -0.240 -0.204 -0.171 RESID 199 (G): -4.270 ----- -0.464 -1.766 ----- 0.085 RESID 200 (M): 1.965 ----- 0.096 0.449 -2.139 -0.258 RESID 201 (G): 1.665 ----- -0.754 0.183 ----- 0.365 RESID 202 (L): -0.338 ----- 0.024 0.888 0.143 0.098 RESID 203 (R): 1.470 ----- 2.489 1.663 -1.637 2.145 RESID 204 (K): -1.251 ----- 0.546 -0.102 -0.307 0.560 RESID 205 (E): -3.303 ----- -0.207 -0.988 -1.128 0.805 RESID 206 (D): 5.115 ----- 0.810 0.066 -1.176 -0.815 RESID 207 (N): -0.354 ----- -0.110 0.454 -0.075 -0.866 RESID 208 (E): 1.547 ----- 1.406 0.894 -1.804 0.444 RESID 209 (L): 2.483 ----- -1.101 -0.160 -1.188 0.497 RESID 210 (R): 0.338 ----- -0.808 0.235 0.088 -0.739 RESID 211 (E): -3.050 ----- 1.267 -0.116 -0.993 0.538 RESID 212 (A): 0.827 ----- 1.635 0.090 -0.965 0.504 RESID 213 (L): 1.624 ----- -1.208 -0.467 0.243 0.307 RESID 214 (N): 2.678 ----- 1.853 -0.626 -0.799 0.116 RESID 215 (K): 2.477 ----- -0.116 -0.317 -0.739 -0.374 RESID 216 (A): 0.486 ----- -0.002 -0.737 0.445 -0.235 RESID 217 (F): -0.612 ----- 0.260 1.105 -1.054 0.620 RESID 218 (A): 0.134 ----- 2.424 -0.385 -1.331 -0.187 RESID 219 (E): 0.972 ----- -0.399 -0.257 -1.160 0.140 RESID 220 (M): 2.769 ----- 0.454 -2.031 0.176 0.052 RESID 221 (R): 0.852 ----- 0.428 -0.211 -2.365 0.246 RESID 222 (A): 0.416 ----- 0.360 -0.453 -0.517 0.118 RESID 223 (D): 0.385 ----- 0.654 -0.116 -0.937 0.125 RESID 224 (G): -2.041 ----- 0.004 -1.189 ----- -0.175 RESID 225 (T): 5.244 ----- 0.451 -0.277 -1.910 0.297 RESID 226 (Y): -0.159 ----- -0.901 0.304 0.144 0.417 RESID 227 (E): -0.472 ----- -0.479 -0.488 -0.301 -0.421 RESID 228 (K): -1.419 ----- 0.413 -0.267 -0.911 -0.808 RESID 229 (L): -0.226 ----- 0.431 -0.768 -0.209 -0.077 RESID 230 (A): -0.857 ----- 1.271 -0.552 -0.147 0.656 RESID 231 (K): -0.895 ----- -0.541 -1.447 -1.060 -0.088 RESID 232 (K): 0.690 ----- -2.562 -0.937 -1.635 -0.544 RESID 233 (Y): -3.145 ----- -0.680 -3.147 0.344 -1.252 RESID 234 (F): 2.951 ----- 2.352 -1.790 -1.564 -0.153 RESID 235 (D): 1.910 ----- -0.331 -0.615 0.450 0.310 RESID 236 (F): -5.204 ----- -0.103 -2.704 0.114 -0.612 RESID 237 (D): -2.244 ----- -1.321 0.350 -2.555 0.216 RESID 238 (V): 7.369 ----- -1.492 -3.273 0.612 -0.994 RESID 239 (Y): 4.470 ----- -2.044 0.811 0.313 0.397 RESID 240 (G): -0.468 ----- -0.282 0.604 ----- -0.966 DATA CS_STAT_INFO N RMS: 2.903 ppm Count: 226 Average Difference: -0.153 +/- 2.905 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.286 ppm Count: 236 Average Difference: -0.110 +/- 1.284 ppm DATA CS_STAT_INFO CA RMS: 1.341 ppm Count: 236 Average Difference: 0.533 +/- 1.233 ppm DATA CS_STAT_INFO CB RMS: 2.462 ppm Count: 215 Average Difference: 0.523 +/- 2.412 ppm DATA CS_STAT_INFO HN RMS: 0.590 ppm Count: 226 Average Difference: -0.117 +/- 0.580 ppm ############################################################################ For conformer 13: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.355 -0.055 RESID 5 (I): C 174.300 174.300 174.344 -0.044 RESID 5 (I): CA 57.710 57.710 59.850 -2.140 RESID 5 (I): CB 37.260 37.260 37.788 -0.529 RESID 5 (I): H 7.868 7.868 8.219 -0.351 RESID 6 (P): C 176.100 176.100 176.813 -0.713 RESID 6 (P): CA 62.180 62.180 62.796 -0.616 RESID 6 (P): CB 31.620 31.620 32.349 -0.729 RESID 7 (Q): N 119.200 119.200 118.696 0.504 RESID 7 (Q): C 175.600 175.600 176.041 -0.441 RESID 7 (Q): CA 57.190 57.190 58.084 -0.894 RESID 7 (Q): CB 28.500 28.500 28.992 -0.492 RESID 7 (Q): H 8.380 8.380 8.721 -0.341 RESID 8 (N): N 116.300 116.300 114.551 1.749 RESID 8 (N): C 173.600 173.600 174.108 -0.508 RESID 8 (N): CA 51.720 51.720 52.270 -0.550 RESID 8 (N): CB 40.540 40.540 41.546 -1.006 RESID 8 (N): H 7.472 7.472 7.805 -0.333 RESID 9 (I): N 121.000 121.000 122.707 -1.707 RESID 9 (I): C 174.700 174.700 174.947 -0.247 RESID 9 (I): CA 59.480 59.480 60.035 -0.555 RESID 9 (I): CB 39.740 39.740 40.319 -0.579 RESID 9 (I): H 8.416 8.416 9.129 -0.713 RESID 10 (R): N 126.500 126.500 127.016 -0.516 RESID 10 (R): C 175.800 175.800 175.480 0.320 RESID 10 (R): CA 53.950 53.950 55.406 -1.456 RESID 10 (R): CB 30.670 30.670 31.346 -0.676 RESID 10 (R): H 9.098 9.098 8.956 0.142 RESID 11 (I): N 127.500 127.500 124.738 2.762 RESID 11 (I): C 175.600 175.600 175.073 0.527 RESID 11 (I): CA 59.480 59.480 59.320 0.160 RESID 11 (I): CB 37.460 37.460 41.926 -4.466 RESID 11 (I): H 9.279 9.279 9.096 0.183 RESID 12 (G): N 114.800 114.800 113.707 1.093 RESID 12 (G): C 171.700 171.700 172.970 -1.270 RESID 12 (G): CA 44.540 44.540 44.293 0.247 RESID 12 (G): H 9.382 9.382 8.500 0.882 RESID 13 (T): N 120.600 120.600 122.069 -1.469 RESID 13 (T): C 181.600 181.600 173.216 8.384 RESID 13 (T): CA 61.470 61.470 61.702 -0.232 RESID 13 (T): CB 69.970 69.970 71.723 -1.753 RESID 13 (T): H 8.594 8.594 7.908 0.686 RESID 14 (D): N 127.000 127.000 127.592 -0.592 RESID 14 (D): C 177.500 177.500 174.575 2.925 RESID 14 (D): CA 49.760 49.760 50.054 -0.294 RESID 14 (D): CB 40.580 40.580 41.929 -1.349 RESID 14 (D): H 8.200 8.200 8.603 -0.403 RESID 15 (P): C 175.400 175.400 176.503 -1.103 RESID 15 (P): CA 61.920 61.920 63.339 -1.419 RESID 15 (P): CB 27.890 27.890 32.395 -4.505 RESID 16 (T): N 116.200 116.200 110.784 5.416 RESID 16 (T): C 174.000 174.000 173.504 0.496 RESID 16 (T): CA 59.560 59.560 62.060 -2.500 RESID 16 (T): CB 68.650 68.650 69.868 -1.218 RESID 16 (T): H 8.739 8.739 8.249 0.490 RESID 17 (Y): N 125.800 125.800 121.928 3.872 RESID 17 (Y): C 175.200 175.200 175.602 -0.402 RESID 17 (Y): CA 54.180 54.180 56.170 -1.990 RESID 17 (Y): CB 38.700 38.700 38.554 0.146 RESID 17 (Y): H 8.943 8.943 8.080 0.863 RESID 18 (A): N 132.100 132.100 129.687 2.413 RESID 18 (A): C 176.000 176.000 176.484 -0.484 RESID 18 (A): CA 51.490 51.490 56.078 -4.588 RESID 18 (A): CB 16.070 16.070 16.298 -0.228 RESID 18 (A): H 8.945 8.945 8.933 0.012 RESID 19 (P): C 173.500 173.500 177.610 -4.110 RESID 19 (P): CA 62.890 62.890 65.278 -2.388 RESID 19 (P): CB 31.790 31.790 31.653 0.137 RESID 20 (F): N 125.100 125.100 118.123 6.977 RESID 20 (F): C 176.700 176.700 175.155 1.545 RESID 20 (F): CA 62.420 62.420 59.767 2.653 RESID 20 (F): CB 37.980 37.980 41.285 -3.305 RESID 20 (F): H 8.117 8.117 8.339 -0.222 RESID 21 (E): N 111.800 111.800 114.351 -2.551 RESID 21 (E): C 173.600 173.600 174.517 -0.917 RESID 21 (E): CA 54.400 54.400 55.363 -0.963 RESID 21 (E): CB 28.770 28.770 34.236 -5.466 RESID 21 (E): H 7.701 7.701 8.616 -0.915 RESID 22 (S): N 117.200 117.200 112.989 4.211 RESID 22 (S): C 171.500 171.500 172.299 -0.799 RESID 22 (S): CA 57.290 57.290 58.602 -1.312 RESID 22 (S): CB 62.940 62.940 64.049 -1.109 RESID 22 (S): H 8.750 8.750 8.318 0.432 RESID 23 (K): N 117.400 117.400 119.471 -2.071 RESID 23 (K): C 177.600 177.600 175.075 2.525 RESID 23 (K): CA 53.700 53.700 55.310 -1.610 RESID 23 (K): CB 33.330 33.330 35.032 -1.702 RESID 23 (K): H 8.238 8.238 8.243 -0.005 RESID 24 (N): N 122.400 122.400 121.172 1.228 RESID 24 (N): C 178.000 178.000 177.153 0.847 RESID 24 (N): CA 50.600 50.600 52.004 -1.404 RESID 24 (N): CB 38.140 38.140 39.975 -1.835 RESID 24 (N): H 8.584 8.584 8.699 -0.115 RESID 25 (S): C 175.400 175.400 175.288 0.112 RESID 25 (S): CA 60.970 60.970 60.939 0.031 RESID 25 (S): CB 62.410 62.410 62.459 -0.049 RESID 26 (Q): N 119.300 119.300 119.605 -0.305 RESID 26 (Q): C 176.200 176.200 176.792 -0.592 RESID 26 (Q): CA 55.180 55.180 55.594 -0.414 RESID 26 (Q): CB 28.260 28.260 28.703 -0.443 RESID 26 (Q): H 7.520 7.520 7.985 -0.465 RESID 27 (G): N 108.800 108.800 107.636 1.164 RESID 27 (G): C 173.700 173.700 174.107 -0.407 RESID 27 (G): CA 45.050 45.050 45.087 -0.038 RESID 27 (G): H 8.169 8.169 7.855 0.314 RESID 28 (E): N 121.200 121.200 120.627 0.573 RESID 28 (E): C 175.800 175.800 175.633 0.167 RESID 28 (E): CA 54.490 54.490 55.922 -1.432 RESID 28 (E): CB 29.750 29.750 30.629 -0.879 RESID 28 (E): H 7.836 7.836 8.061 -0.225 RESID 29 (L): N 123.500 123.500 120.530 2.970 RESID 29 (L): C 176.400 176.400 175.240 1.160 RESID 29 (L): CA 54.310 54.310 53.793 0.517 RESID 29 (L): CB 41.180 41.180 43.355 -2.175 RESID 29 (L): H 8.281 8.281 8.250 0.031 RESID 30 (V): N 118.200 118.200 121.936 -3.736 RESID 30 (V): C 175.300 175.300 173.498 1.802 RESID 30 (V): CA 58.360 58.360 60.083 -1.723 RESID 30 (V): CB 36.080 36.080 35.946 0.134 RESID 30 (V): H 8.900 8.900 7.665 1.235 RESID 31 (G): N 109.800 109.800 110.189 -0.389 RESID 31 (G): C 174.400 174.400 173.418 0.982 RESID 31 (G): CA 43.830 43.830 45.344 -1.514 RESID 31 (G): H 8.611 8.611 7.684 0.927 RESID 32 (F): N 119.900 119.900 122.479 -2.579 RESID 32 (F): C 177.900 177.900 176.027 1.873 RESID 32 (F): CA 59.800 59.800 60.846 -1.046 RESID 32 (F): CB 38.950 38.950 39.431 -0.481 RESID 32 (F): H 8.295 8.295 8.447 -0.152 RESID 33 (D): N 116.500 116.500 119.226 -2.726 RESID 33 (D): C 179.100 179.100 178.062 1.038 RESID 33 (D): CA 56.180 56.180 56.807 -0.627 RESID 33 (D): CB 38.610 38.610 40.425 -1.815 RESID 33 (D): H 8.935 8.935 7.441 1.494 RESID 34 (I): N 118.800 118.800 119.613 -0.813 RESID 34 (I): C 178.000 178.000 177.738 0.262 RESID 34 (I): CA 60.950 60.950 64.779 -3.829 RESID 34 (I): CB 33.620 33.620 37.793 -4.173 RESID 34 (I): H 6.535 6.535 7.803 -1.268 RESID 35 (D): N 121.000 121.000 119.593 1.407 RESID 35 (D): C 180.300 180.300 178.373 1.927 RESID 35 (D): CA 57.100 57.100 57.443 -0.343 RESID 35 (D): CB 40.420 40.420 40.299 0.121 RESID 35 (D): H 8.536 8.536 7.906 0.630 RESID 36 (L): N 120.500 120.500 120.884 -0.384 RESID 36 (L): C 178.500 178.500 177.965 0.535 RESID 36 (L): CA 57.720 57.720 57.759 -0.039 RESID 36 (L): CB 42.230 42.230 41.564 0.666 RESID 36 (L): H 8.508 8.508 7.199 1.309 RESID 37 (A): N 120.200 120.200 121.793 -1.593 RESID 37 (A): C 178.600 178.600 179.533 -0.933 RESID 37 (A): CA 55.170 55.170 55.297 -0.127 RESID 37 (A): CB 17.340 17.340 18.458 -1.118 RESID 37 (A): H 8.383 8.383 7.664 0.719 RESID 38 (K): N 116.400 116.400 119.272 -2.872 RESID 38 (K): C 180.100 180.100 179.143 0.957 RESID 38 (K): CA 60.530 60.530 60.081 0.449 RESID 38 (K): CB 31.840 31.840 32.330 -0.490 RESID 38 (K): H 8.780 8.780 8.144 0.636 RESID 39 (E): N 121.500 121.500 119.320 2.180 RESID 39 (E): C 178.300 178.300 179.365 -1.065 RESID 39 (E): CA 58.430 58.430 59.294 -0.864 RESID 39 (E): CB 27.990 27.990 29.484 -1.494 RESID 39 (E): H 7.692 7.692 7.742 -0.050 RESID 40 (L): N 121.500 121.500 120.478 1.022 RESID 40 (L): C 178.700 178.700 178.820 -0.120 RESID 40 (L): CA 58.490 58.490 58.298 0.192 RESID 40 (L): CB 40.250 40.250 41.768 -1.518 RESID 40 (L): H 8.563 8.563 7.862 0.701 RESID 41 (C): N 115.700 115.700 118.395 -2.695 RESID 41 (C): C 175.800 175.800 177.476 -1.676 RESID 41 (C): CA 62.390 62.390 62.739 -0.349 RESID 41 (C): CB 46.860 46.860 25.444 21.416 RESID 41 (C): H 8.598 8.598 8.733 -0.135 RESID 42 (K): N 119.300 119.300 119.683 -0.383 RESID 42 (K): C 180.800 180.800 179.119 1.681 RESID 42 (K): CA 58.810 58.810 59.446 -0.636 RESID 42 (K): CB 31.430 31.430 32.356 -0.926 RESID 42 (K): H 7.490 7.490 8.067 -0.577 RESID 43 (R): N 119.500 119.500 117.982 1.518 RESID 43 (R): C 178.700 178.700 178.669 0.031 RESID 43 (R): CA 58.760 58.760 58.460 0.300 RESID 43 (R): CB 29.980 29.980 30.219 -0.239 RESID 43 (R): H 8.057 8.057 7.637 0.420 RESID 44 (I): N 111.800 111.800 117.530 -5.730 RESID 44 (I): C 175.000 175.000 175.839 -0.839 RESID 44 (I): CA 60.940 60.940 63.092 -2.152 RESID 44 (I): CB 36.630 36.630 38.205 -1.575 RESID 44 (I): H 7.765 7.765 8.426 -0.661 RESID 45 (N): N 118.800 118.800 115.705 3.095 RESID 45 (N): C 173.600 173.600 173.933 -0.333 RESID 45 (N): CA 53.670 53.670 54.624 -0.954 RESID 45 (N): CB 36.620 36.620 35.920 0.700 RESID 45 (N): H 7.752 7.752 8.082 -0.330 RESID 46 (T): N 112.800 112.800 105.700 7.100 RESID 46 (T): C 173.100 173.100 172.827 0.273 RESID 46 (T): CA 60.020 60.020 60.280 -0.260 RESID 46 (T): CB 70.500 70.500 71.855 -1.355 RESID 46 (T): H 7.920 7.920 7.945 -0.025 RESID 47 (Q): N 123.500 123.500 119.972 3.528 RESID 47 (Q): C 175.400 175.400 174.586 0.814 RESID 47 (Q): CA 54.550 54.550 55.110 -0.560 RESID 47 (Q): CB 28.670 28.670 30.514 -1.844 RESID 47 (Q): H 8.037 8.037 8.335 -0.298 RESID 48 (C): N 123.800 123.800 124.225 -0.425 RESID 48 (C): C 173.800 173.800 174.385 -0.585 RESID 48 (C): CA 53.170 53.170 57.899 -4.729 RESID 48 (C): CB 47.290 47.290 29.439 17.851 RESID 48 (C): H 8.881 8.881 8.667 0.214 RESID 49 (T): N 118.600 118.600 120.521 -1.921 RESID 49 (T): C 172.700 172.700 172.541 0.159 RESID 49 (T): CA 60.210 60.210 61.262 -1.052 RESID 49 (T): CB 70.980 70.980 70.996 -0.016 RESID 49 (T): H 8.324 8.324 8.803 -0.479 RESID 50 (F): N 123.800 123.800 125.961 -2.161 RESID 50 (F): C 175.800 175.800 175.920 -0.120 RESID 50 (F): CA 57.370 57.370 57.303 0.067 RESID 50 (F): CB 40.730 40.730 40.345 0.385 RESID 50 (F): H 8.982 8.982 8.619 0.363 RESID 51 (V): N 126.300 126.300 123.564 2.736 RESID 51 (V): C 174.700 174.700 174.703 -0.003 RESID 51 (V): CA 60.650 60.650 60.674 -0.024 RESID 51 (V): CB 33.700 33.700 35.458 -1.758 RESID 51 (V): H 9.271 9.271 8.992 0.279 RESID 52 (E): N 126.900 126.900 129.035 -2.135 RESID 52 (E): C 176.900 176.900 175.108 1.792 RESID 52 (E): CA 54.480 54.480 57.546 -3.066 RESID 52 (E): CB 29.350 29.350 30.356 -1.006 RESID 52 (E): H 8.617 8.617 8.788 -0.171 RESID 53 (N): N 127.100 127.100 119.722 7.378 RESID 53 (N): C 170.600 170.600 172.687 -2.087 RESID 53 (N): CA 51.220 51.220 51.066 0.153 RESID 53 (N): CB 43.980 43.980 38.710 5.270 RESID 53 (N): H 8.917 8.917 8.190 0.727 RESID 54 (P): C 178.600 178.600 178.769 -0.169 RESID 54 (P): CA 61.650 61.650 62.375 -0.725 RESID 54 (P): CB 31.460 31.460 33.011 -1.551 RESID 55 (L): N 124.200 124.200 124.382 -0.182 RESID 55 (L): C 179.600 179.600 178.710 0.890 RESID 55 (L): CA 58.130 58.130 59.206 -1.075 RESID 55 (L): CB 41.470 41.470 41.489 -0.019 RESID 55 (L): H 9.096 9.096 8.693 0.403 RESID 56 (D): N 115.400 115.400 119.029 -3.629 RESID 56 (D): C 176.500 176.500 177.335 -0.835 RESID 56 (D): CA 56.080 56.080 56.853 -0.773 RESID 56 (D): CB 39.640 39.640 40.186 -0.546 RESID 56 (D): H 8.651 8.651 8.523 0.128 RESID 57 (A): N 120.400 120.400 119.935 0.465 RESID 57 (A): C 180.000 180.000 178.964 1.036 RESID 57 (A): CA 51.440 51.440 53.630 -2.190 RESID 57 (A): CB 19.170 19.170 19.637 -0.467 RESID 57 (A): H 8.079 8.079 8.358 -0.279 RESID 58 (L): N 122.300 122.300 121.191 1.109 RESID 58 (L): C 177.800 177.800 178.762 -0.962 RESID 58 (L): CA 58.960 58.960 58.102 0.858 RESID 58 (L): CB 40.150 40.150 41.917 -1.767 RESID 58 (L): H 7.783 7.783 8.091 -0.308 RESID 59 (I): N 119.600 119.600 119.499 0.101 RESID 59 (I): C 176.400 176.400 175.146 1.254 RESID 59 (I): CA 68.170 68.170 66.548 1.622 RESID 59 (I): CB 33.980 33.980 34.691 -0.711 RESID 59 (I): H 9.094 9.094 7.716 1.378 RESID 60 (P): C 180.100 180.100 179.227 0.873 RESID 60 (P): CA 65.890 65.890 66.521 -0.631 RESID 60 (P): CB 29.980 29.980 31.255 -1.275 RESID 61 (S): N 114.800 114.800 114.908 -0.108 RESID 61 (S): C 175.500 175.500 176.701 -1.201 RESID 61 (S): CA 62.170 62.170 61.842 0.328 RESID 61 (S): H 7.865 7.865 8.282 -0.417 RESID 62 (L): N 126.200 126.200 123.024 3.176 RESID 62 (L): C 181.000 181.000 178.994 2.006 RESID 62 (L): CA 57.400 57.400 57.727 -0.327 RESID 62 (L): CB 41.820 41.820 41.785 0.035 RESID 62 (L): H 8.296 8.296 8.124 0.172 RESID 63 (K): N 121.000 121.000 119.096 1.904 RESID 63 (K): C 178.000 178.000 177.879 0.121 RESID 63 (K): CA 59.500 59.500 59.164 0.336 RESID 63 (K): CB 30.770 30.770 32.495 -1.725 RESID 63 (K): H 8.461 8.461 7.761 0.700 RESID 64 (A): N 118.700 118.700 118.685 0.015 RESID 64 (A): C 176.200 176.200 176.672 -0.472 RESID 64 (A): CA 51.680 51.680 51.999 -0.319 RESID 64 (A): CB 18.140 18.140 18.613 -0.473 RESID 64 (A): H 7.686 7.686 7.937 -0.251 RESID 65 (K): N 112.200 112.200 114.028 -1.828 RESID 65 (K): C 176.000 176.000 176.445 -0.445 RESID 65 (K): CA 57.800 57.800 57.967 -0.167 RESID 65 (K): CB 27.730 27.730 29.896 -2.166 RESID 65 (K): H 7.751 7.751 7.668 0.083 RESID 66 (K): N 118.300 118.300 115.400 2.900 RESID 66 (K): C 176.600 176.600 177.136 -0.536 RESID 66 (K): CA 57.200 57.200 58.434 -1.234 RESID 66 (K): CB 32.170 32.170 33.014 -0.844 RESID 66 (K): H 8.415 8.415 7.814 0.601 RESID 67 (I): N 107.500 107.500 112.457 -4.957 RESID 67 (I): C 174.000 174.000 175.407 -1.407 RESID 67 (I): CA 59.050 59.050 59.019 0.031 RESID 67 (I): CB 40.470 40.470 41.051 -0.581 RESID 67 (I): H 7.034 7.034 7.260 -0.226 RESID 68 (D): N 119.000 119.000 121.781 -2.781 RESID 68 (D): C 172.200 172.200 175.781 -3.581 RESID 68 (D): CA 55.560 55.560 55.445 0.115 RESID 68 (D): CB 44.210 44.210 42.540 1.670 RESID 68 (D): H 9.739 9.739 8.687 1.052 RESID 69 (A): N 117.400 117.400 117.785 -0.385 RESID 69 (A): C 175.900 175.900 174.853 1.047 RESID 69 (A): CA 50.120 50.120 51.211 -1.091 RESID 69 (A): CB 21.960 21.960 22.003 -0.043 RESID 69 (A): H 7.660 7.660 7.610 0.050 RESID 70 (I): N 120.500 120.500 120.423 0.077 RESID 70 (I): C 174.500 174.500 174.449 0.051 RESID 70 (I): CA 60.060 60.060 60.649 -0.589 RESID 70 (I): CB 41.190 41.190 41.025 0.165 RESID 70 (I): H 9.402 9.402 8.036 1.366 RESID 71 (M): N 128.300 128.300 129.181 -0.881 RESID 71 (M): C 172.500 172.500 174.042 -1.542 RESID 71 (M): CA 53.040 53.040 54.928 -1.888 RESID 71 (M): CB 33.940 33.940 34.557 -0.617 RESID 71 (M): H 8.431 8.431 8.264 0.167 RESID 72 (S): N 122.700 122.700 121.362 1.338 RESID 72 (S): C 172.800 172.800 173.321 -0.521 RESID 72 (S): CA 57.630 57.630 57.132 0.498 RESID 72 (S): CB 64.590 64.590 65.328 -0.738 RESID 72 (S): H 8.717 8.717 8.630 0.087 RESID 73 (S): N 120.600 120.600 115.987 4.613 RESID 73 (S): C 174.900 174.900 175.120 -0.220 RESID 73 (S): CA 58.590 58.590 59.970 -1.380 RESID 73 (S): CB 62.920 62.920 63.111 -0.191 RESID 73 (S): H 8.570 8.570 8.672 -0.102 RESID 74 (L): N 120.700 120.700 123.928 -3.228 RESID 74 (L): C 175.300 175.300 175.832 -0.532 RESID 74 (L): CA 54.320 54.320 55.641 -1.321 RESID 74 (L): CB 42.350 42.350 42.586 -0.235 RESID 74 (L): H 8.678 8.678 7.751 0.927 RESID 75 (S): N 122.000 122.000 120.259 1.741 RESID 75 (S): C 174.500 174.500 173.583 0.917 RESID 75 (S): CA 59.250 59.250 57.194 2.056 RESID 75 (S): CB 63.060 63.060 64.784 -1.724 RESID 75 (S): H 8.142 8.142 7.937 0.205 RESID 76 (I): N 125.200 125.200 115.858 9.342 RESID 76 (I): C 175.500 175.500 174.449 1.051 RESID 76 (I): CA 61.340 61.340 59.699 1.641 RESID 76 (I): CB 35.790 35.790 39.615 -3.825 RESID 76 (I): H 8.307 8.307 8.316 -0.009 RESID 77 (T): N 116.600 116.600 113.519 3.081 RESID 77 (T): C 174.800 174.800 175.066 -0.266 RESID 77 (T): CA 57.760 57.760 59.982 -2.222 RESID 77 (T): CB 71.570 71.570 72.292 -0.722 RESID 77 (T): H 6.513 6.513 7.537 -1.024 RESID 78 (E): N 124.500 124.500 125.015 -0.515 RESID 78 (E): C 179.500 179.500 177.871 1.629 RESID 78 (E): CA 59.140 59.140 60.877 -1.737 RESID 78 (E): CB 28.630 28.630 29.269 -0.639 RESID 78 (E): H 8.935 8.935 8.890 0.045 RESID 79 (K): N 118.400 118.400 118.323 0.077 RESID 79 (K): C 180.600 180.600 179.030 1.570 RESID 79 (K): CA 58.890 58.890 59.196 -0.306 RESID 79 (K): CB 31.610 31.610 32.299 -0.689 RESID 79 (K): H 8.415 8.415 8.365 0.050 RESID 80 (R): N 118.500 118.500 118.814 -0.314 RESID 80 (R): C 179.100 179.100 178.958 0.142 RESID 80 (R): CA 59.580 59.580 59.202 0.378 RESID 80 (R): CB 30.380 30.380 30.075 0.305 RESID 80 (R): H 7.678 7.678 7.397 0.281 RESID 81 (Q): N 119.000 119.000 119.707 -0.707 RESID 81 (Q): C 176.600 176.600 179.007 -2.407 RESID 81 (Q): CA 57.510 57.510 59.018 -1.508 RESID 81 (Q): CB 28.880 28.880 28.555 0.325 RESID 81 (Q): H 8.418 8.418 8.302 0.116 RESID 82 (Q): N 115.300 115.300 117.877 -2.577 RESID 82 (Q): C 177.400 177.400 177.800 -0.400 RESID 82 (Q): CA 57.280 57.280 58.407 -1.127 RESID 82 (Q): CB 27.950 27.950 28.484 -0.534 RESID 82 (Q): H 7.297 7.297 7.967 -0.670 RESID 83 (E): N 115.600 115.600 117.692 -2.092 RESID 83 (E): C 176.400 176.400 177.297 -0.897 RESID 83 (E): CA 56.950 56.950 58.371 -1.421 RESID 83 (E): CB 33.090 33.090 31.196 1.894 RESID 83 (E): H 7.627 7.627 7.930 -0.303 RESID 84 (I): N 115.100 115.100 111.834 3.266 RESID 84 (I): C 172.600 172.600 173.943 -1.343 RESID 84 (I): CA 59.380 59.380 58.916 0.464 RESID 84 (I): CB 40.830 40.830 41.495 -0.665 RESID 84 (I): H 8.275 8.275 7.970 0.305 RESID 85 (A): N 120.600 120.600 120.371 0.229 RESID 85 (A): C 175.000 175.000 175.240 -0.240 RESID 85 (A): CA 49.150 49.150 50.248 -1.098 RESID 85 (A): CB 22.280 22.280 21.465 0.815 RESID 85 (A): H 8.679 8.679 8.449 0.230 RESID 86 (F): N 115.500 115.500 119.005 -3.505 RESID 86 (F): C 178.800 178.800 175.814 2.986 RESID 86 (F): CA 55.850 55.850 56.885 -1.035 RESID 86 (F): CB 44.300 44.300 44.055 0.245 RESID 86 (F): H 8.283 8.283 8.604 -0.321 RESID 87 (T): N 108.200 108.200 114.924 -6.724 RESID 87 (T): C 174.700 174.700 173.807 0.893 RESID 87 (T): CA 61.930 61.930 61.191 0.739 RESID 87 (T): CB 72.740 72.740 70.030 2.710 RESID 87 (T): H 7.898 7.898 8.353 -0.455 RESID 88 (D): N 118.400 118.400 120.508 -2.108 RESID 88 (D): C 174.300 174.300 175.617 -1.317 RESID 88 (D): CA 55.030 55.030 55.767 -0.737 RESID 88 (D): CB 40.870 40.870 39.804 1.066 RESID 88 (D): H 8.789 8.789 8.794 -0.005 RESID 89 (K): N 118.100 118.100 116.522 1.578 RESID 89 (K): C 176.200 176.200 176.592 -0.392 RESID 89 (K): CA 55.570 55.570 57.289 -1.719 RESID 89 (K): CB 31.850 31.850 31.535 0.316 RESID 89 (K): H 7.666 7.666 7.685 -0.019 RESID 90 (L): N 123.400 123.400 126.464 -3.064 RESID 90 (L): C 178.000 178.000 177.653 0.347 RESID 90 (L): CA 54.450 54.450 57.196 -2.746 RESID 90 (L): CB 41.710 41.710 43.352 -1.642 RESID 90 (L): H 8.778 8.778 8.725 0.053 RESID 91 (Y): N 110.500 110.500 109.901 0.599 RESID 91 (Y): C 172.600 172.600 173.740 -1.140 RESID 91 (Y): CA 56.070 56.070 55.381 0.689 RESID 91 (Y): CB 37.670 37.670 40.514 -2.844 RESID 91 (Y): H 6.810 6.810 7.139 -0.329 RESID 92 (A): N 123.100 123.100 122.370 0.730 RESID 92 (A): C 175.600 175.600 176.778 -1.178 RESID 92 (A): CA 51.940 51.940 51.224 0.716 RESID 92 (A): CB 20.320 20.320 19.749 0.571 RESID 92 (A): H 8.135 8.135 9.081 -0.946 RESID 93 (A): N 127.000 127.000 127.351 -0.351 RESID 93 (A): C 175.700 175.700 176.626 -0.926 RESID 93 (A): CA 51.020 51.020 50.538 0.482 RESID 93 (A): CB 18.310 18.310 18.413 -0.103 RESID 93 (A): H 8.658 8.658 8.550 0.108 RESID 94 (D): N 122.900 122.900 121.596 1.304 RESID 94 (D): C 175.300 175.300 176.116 -0.816 RESID 94 (D): CA 53.910 53.910 55.135 -1.224 RESID 94 (D): CB 42.030 42.030 42.224 -0.194 RESID 94 (D): H 8.497 8.497 7.732 0.765 RESID 95 (S): N 110.300 110.300 112.160 -1.860 RESID 95 (S): C 171.600 171.600 173.050 -1.450 RESID 95 (S): CA 57.850 57.850 57.307 0.543 RESID 95 (S): CB 66.410 66.410 66.492 -0.082 RESID 95 (S): H 6.844 6.844 7.870 -1.026 RESID 96 (R): N 124.300 124.300 119.639 4.661 RESID 96 (R): C 173.700 173.700 173.835 -0.135 RESID 96 (R): CA 57.450 57.450 55.831 1.619 RESID 96 (R): CB 34.070 34.070 34.365 -0.295 RESID 96 (R): H 9.227 9.227 8.763 0.464 RESID 97 (L): N 124.100 124.100 124.978 -0.878 RESID 97 (L): C 177.600 177.600 175.935 1.665 RESID 97 (L): CA 54.150 54.150 53.803 0.347 RESID 97 (L): CB 42.640 42.640 44.396 -1.756 RESID 97 (L): H 9.343 9.343 8.017 1.326 RESID 98 (V): N 124.500 124.500 123.603 0.897 RESID 98 (V): C 175.700 175.700 174.945 0.755 RESID 98 (V): CA 61.770 61.770 60.923 0.847 RESID 98 (V): CB 32.950 32.950 32.678 0.272 RESID 98 (V): H 9.500 9.500 7.994 1.506 RESID 99 (V): N 116.800 116.800 122.191 -5.391 RESID 99 (V): C 174.600 174.600 173.974 0.626 RESID 99 (V): CA 58.190 58.190 59.010 -0.820 RESID 99 (V): CB 36.780 36.780 35.890 0.890 RESID 99 (V): H 9.192 9.192 8.055 1.137 RESID 100 (A): N 123.400 123.400 122.491 0.909 RESID 100 (A): C 179.200 179.200 178.547 0.653 RESID 100 (A): CA 52.690 52.690 50.595 2.095 RESID 100 (A): CB 18.160 18.160 19.850 -1.690 RESID 100 (A): H 9.043 9.043 8.353 0.690 RESID 101 (K): N 119.600 119.600 123.612 -4.012 RESID 101 (K): C 176.800 176.800 177.005 -0.205 RESID 101 (K): CA 59.360 59.360 58.969 0.390 RESID 101 (K): CB 31.380 31.380 31.865 -0.485 RESID 101 (K): H 7.840 7.840 8.903 -1.063 RESID 102 (N): N 114.400 114.400 115.538 -1.138 RESID 102 (N): C 175.500 175.500 175.224 0.276 RESID 102 (N): CA 52.330 52.330 54.616 -2.286 RESID 102 (N): CB 36.990 36.990 38.600 -1.610 RESID 102 (N): H 7.941 7.941 8.166 -0.225 RESID 103 (S): N 114.800 114.800 114.640 0.160 RESID 103 (S): C 176.000 176.000 173.258 2.742 RESID 103 (S): CA 58.180 58.180 57.467 0.713 RESID 103 (S): CB 64.310 64.310 63.906 0.404 RESID 103 (S): H 7.700 7.700 7.605 0.095 RESID 104 (D): N 128.500 128.500 129.286 -0.786 RESID 104 (D): C 176.700 176.700 174.983 1.717 RESID 104 (D): CA 52.990 52.990 53.958 -0.968 RESID 104 (D): CB 40.330 40.330 40.934 -0.603 RESID 104 (D): H 8.548 8.548 8.544 0.004 RESID 105 (I): N 122.800 122.800 124.020 -1.220 RESID 105 (I): C 173.800 173.800 174.515 -0.715 RESID 105 (I): CA 63.580 63.580 60.398 3.182 RESID 105 (I): CB 37.490 37.490 40.427 -2.937 RESID 105 (I): H 7.826 7.826 8.167 -0.341 RESID 106 (Q): N 124.600 124.600 125.242 -0.642 RESID 106 (Q): C 174.700 174.700 174.010 0.690 RESID 106 (Q): CA 51.380 51.380 52.048 -0.668 RESID 106 (Q): CB 31.050 31.050 28.999 2.051 RESID 106 (Q): H 8.174 8.174 8.397 -0.223 RESID 107 (P): C 175.300 175.300 175.775 -0.475 RESID 107 (P): CA 61.880 61.880 63.649 -1.769 RESID 107 (P): CB 26.860 26.860 30.795 -3.935 RESID 108 (T): N 114.600 114.600 117.749 -3.149 RESID 108 (T): C 174.000 174.000 174.376 -0.376 RESID 108 (T): CA 57.690 57.690 61.586 -3.896 RESID 108 (T): CB 71.020 71.020 72.084 -1.064 RESID 108 (T): H 8.531 8.531 7.707 0.824 RESID 109 (V): N 121.800 121.800 123.518 -1.718 RESID 109 (V): C 177.300 177.300 176.932 0.368 RESID 109 (V): CA 65.600 65.600 64.762 0.838 RESID 109 (V): CB 30.580 30.580 32.778 -2.198 RESID 109 (V): H 8.775 8.775 8.483 0.292 RESID 110 (E): N 116.900 116.900 120.260 -3.360 RESID 110 (E): C 178.400 178.400 178.893 -0.493 RESID 110 (E): CA 59.260 59.260 60.152 -0.892 RESID 110 (E): CB 28.170 28.170 29.007 -0.837 RESID 110 (E): H 8.414 8.414 8.765 -0.351 RESID 111 (S): N 113.200 113.200 113.292 -0.092 RESID 111 (S): C 176.500 176.500 175.738 0.762 RESID 111 (S): CA 59.370 59.370 60.810 -1.440 RESID 111 (S): CB 63.730 63.730 62.455 1.275 RESID 111 (S): H 7.387 7.387 8.520 -1.133 RESID 112 (L): N 116.100 116.100 120.390 -4.290 RESID 112 (L): C 176.700 176.700 176.695 0.005 RESID 112 (L): CA 54.580 54.580 55.373 -0.793 RESID 112 (L): CB 42.650 42.650 42.559 0.090 RESID 112 (L): H 7.676 7.676 7.326 0.350 RESID 113 (K): N 121.000 121.000 119.214 1.786 RESID 113 (K): C 178.200 178.200 177.508 0.692 RESID 113 (K): CA 58.850 58.850 58.221 0.629 RESID 113 (K): CB 30.850 30.850 32.249 -1.399 RESID 113 (K): H 7.445 7.445 7.741 -0.296 RESID 114 (G): N 113.900 113.900 112.951 0.949 RESID 114 (G): C 174.200 174.200 174.794 -0.594 RESID 114 (G): CA 45.240 45.240 45.365 -0.125 RESID 114 (G): H 8.454 8.454 8.360 0.094 RESID 115 (K): N 120.600 120.600 121.720 -1.120 RESID 115 (K): C 174.800 174.800 176.131 -1.331 RESID 115 (K): CA 53.710 53.710 54.769 -1.059 RESID 115 (K): CB 31.990 31.990 33.262 -1.272 RESID 115 (K): H 8.530 8.530 7.869 0.661 RESID 116 (R): N 119.300 119.300 120.768 -1.468 RESID 116 (R): C 176.000 176.000 175.419 0.581 RESID 116 (R): CA 54.720 54.720 55.894 -1.174 RESID 116 (R): CB 32.310 32.310 31.642 0.668 RESID 116 (R): H 9.455 9.455 8.407 1.048 RESID 117 (V): N 126.100 126.100 123.211 2.889 RESID 117 (V): C 175.300 175.300 175.014 0.286 RESID 117 (V): CA 60.090 60.090 60.371 -0.281 RESID 117 (V): CB 33.620 33.620 35.419 -1.799 RESID 117 (V): H 9.217 9.217 8.570 0.647 RESID 118 (G): N 114.000 114.000 113.507 0.493 RESID 118 (G): C 172.300 172.300 172.641 -0.341 RESID 118 (G): CA 45.010 45.010 43.630 1.380 RESID 118 (G): H 9.367 9.367 8.016 1.351 RESID 119 (V): N 116.400 116.400 122.615 -6.215 RESID 119 (V): C 174.100 174.100 174.057 0.043 RESID 119 (V): CA 58.270 58.270 60.450 -2.179 RESID 119 (V): CB 36.370 36.370 36.971 -0.601 RESID 119 (V): H 9.166 9.166 9.309 -0.143 RESID 120 (L): N 124.400 124.400 124.123 0.277 RESID 120 (L): C 176.900 176.900 175.653 1.247 RESID 120 (L): CA 53.690 53.690 53.983 -0.293 RESID 120 (L): CB 41.240 41.240 42.767 -1.526 RESID 120 (L): H 8.961 8.961 8.835 0.126 RESID 121 (Q): N 128.000 128.000 127.083 0.917 RESID 121 (Q): C 176.900 176.900 177.226 -0.326 RESID 121 (Q): CA 56.680 56.680 57.101 -0.421 RESID 121 (Q): CB 27.920 27.920 29.543 -1.623 RESID 121 (Q): H 9.305 9.305 8.976 0.329 RESID 122 (G): N 113.600 113.600 113.832 -0.232 RESID 122 (G): C 175.100 175.100 173.581 1.519 RESID 122 (G): CA 45.240 45.240 45.472 -0.232 RESID 122 (G): H 9.383 9.383 8.663 0.720 RESID 123 (T): N 108.400 108.400 110.284 -1.884 RESID 123 (T): C 176.800 176.800 174.480 2.320 RESID 123 (T): CA 60.260 60.260 59.966 0.294 RESID 123 (T): CB 73.530 73.530 70.668 2.862 RESID 123 (T): H 7.220 7.220 7.750 -0.530 RESID 124 (T): N 113.900 113.900 112.877 1.023 RESID 124 (T): C 178.100 178.100 176.525 1.575 RESID 124 (T): CA 63.990 63.990 64.870 -0.879 RESID 124 (T): CB 67.740 67.740 68.755 -1.015 RESID 124 (T): H 8.934 8.934 8.641 0.293 RESID 125 (Q): N 120.600 120.600 122.315 -1.715 RESID 125 (Q): C 178.300 178.300 178.162 0.138 RESID 125 (Q): CA 61.670 61.670 59.688 1.982 RESID 125 (Q): CB 25.310 25.310 28.031 -2.721 RESID 125 (Q): H 7.521 7.521 8.276 -0.755 RESID 126 (E): N 121.900 121.900 119.783 2.117 RESID 126 (E): C 177.600 177.600 178.922 -1.322 RESID 126 (E): CA 59.630 59.630 59.818 -0.188 RESID 126 (E): CB 28.730 28.730 29.647 -0.917 RESID 126 (E): H 7.717 7.717 7.802 -0.085 RESID 127 (T): N 117.800 117.800 116.282 1.518 RESID 127 (T): C 176.200 176.200 176.390 -0.190 RESID 127 (T): CA 66.340 66.340 66.912 -0.572 RESID 127 (T): CB 67.590 67.590 68.755 -1.165 RESID 127 (T): H 8.175 8.175 7.633 0.542 RESID 128 (F): N 121.900 121.900 121.977 -0.077 RESID 128 (F): C 178.000 178.000 177.546 0.454 RESID 128 (F): CA 61.590 61.590 60.749 0.841 RESID 128 (F): CB 38.810 38.810 38.935 -0.125 RESID 128 (F): H 8.882 8.882 8.676 0.206 RESID 129 (G): N 107.000 107.000 107.107 -0.107 RESID 129 (G): C 176.100 176.100 176.484 -0.384 RESID 129 (G): CA 46.690 46.690 47.216 -0.526 RESID 129 (G): H 8.900 8.900 9.161 -0.261 RESID 130 (N): N 123.000 123.000 118.449 4.551 RESID 130 (N): C 176.200 176.200 175.838 0.362 RESID 130 (N): CA 55.400 55.400 55.347 0.053 RESID 130 (N): CB 37.570 37.570 38.198 -0.628 RESID 130 (N): H 8.915 8.915 8.565 0.350 RESID 131 (E): N 119.000 119.000 116.713 2.287 RESID 131 (E): C 177.900 177.900 177.101 0.799 RESID 131 (E): CA 57.940 57.940 56.702 1.238 RESID 131 (E): CB 29.350 29.350 30.763 -1.413 RESID 131 (E): H 7.907 7.907 7.486 0.421 RESID 132 (H): N 112.600 112.600 118.655 -6.055 RESID 132 (H): C 175.900 175.900 175.551 0.349 RESID 132 (H): CA 56.910 56.910 58.810 -1.900 RESID 132 (H): CB 30.510 30.510 29.800 0.710 RESID 132 (H): H 7.877 7.877 7.879 -0.002 RESID 133 (W): N 119.300 119.300 117.420 1.880 RESID 133 (W): C 176.800 176.800 176.182 0.618 RESID 133 (W): CA 55.570 55.570 56.539 -0.969 RESID 133 (W): CB 30.400 30.400 29.727 0.673 RESID 133 (W): H 7.653 7.653 7.487 0.166 RESID 134 (A): N 125.400 125.400 124.651 0.749 RESID 134 (A): C 177.700 177.700 177.227 0.473 RESID 134 (A): CA 55.410 55.410 54.627 0.783 RESID 134 (A): CB 15.990 15.990 16.808 -0.818 RESID 134 (A): H 8.711 8.711 7.535 1.176 RESID 135 (P): C 177.200 177.200 177.380 -0.180 RESID 135 (P): CA 64.510 64.510 64.189 0.321 RESID 135 (P): CB 30.800 30.800 30.988 -0.188 RESID 136 (K): N 115.800 115.800 116.215 -0.415 RESID 136 (K): C 176.500 176.500 177.628 -1.128 RESID 136 (K): CA 53.530 53.530 55.926 -2.396 RESID 136 (K): CB 31.430 31.430 32.052 -0.622 RESID 136 (K): H 7.665 7.665 8.127 -0.462 RESID 137 (G): N 106.100 106.100 108.345 -2.245 RESID 137 (G): C 174.300 174.300 173.514 0.786 RESID 137 (G): CA 45.740 45.740 45.365 0.375 RESID 137 (G): H 7.864 7.864 7.664 0.200 RESID 138 (I): N 124.400 124.400 119.378 5.022 RESID 138 (I): C 174.400 174.400 174.801 -0.401 RESID 138 (I): CA 60.460 60.460 60.116 0.344 RESID 138 (I): CB 38.080 38.080 39.819 -1.739 RESID 138 (I): H 6.889 6.889 7.480 -0.591 RESID 139 (E): N 128.400 128.400 127.322 1.078 RESID 139 (E): C 173.900 173.900 175.100 -1.200 RESID 139 (E): CA 56.050 56.050 55.619 0.431 RESID 139 (E): CB 29.490 29.490 31.244 -1.754 RESID 139 (E): H 8.230 8.230 8.334 -0.104 RESID 140 (I): N 129.500 129.500 121.559 7.941 RESID 140 (I): C 176.100 176.100 174.753 1.347 RESID 140 (I): CA 57.100 57.100 59.034 -1.934 RESID 140 (I): CB 34.440 34.440 40.651 -6.211 RESID 140 (I): H 8.642 8.642 8.349 0.293 RESID 141 (V): N 133.000 133.000 125.117 7.883 RESID 141 (V): C 174.400 174.400 174.519 -0.119 RESID 141 (V): CA 61.060 61.060 61.148 -0.088 RESID 141 (V): CB 32.410 32.410 36.225 -3.815 RESID 141 (V): H 9.387 9.387 8.954 0.433 RESID 142 (S): N 122.900 122.900 120.106 2.794 RESID 142 (S): C 175.000 175.000 173.552 1.448 RESID 142 (S): CA 57.710 57.710 57.382 0.328 RESID 142 (S): CB 63.710 63.710 63.719 -0.009 RESID 142 (S): H 8.490 8.490 8.394 0.096 RESID 143 (Y): N 123.400 123.400 126.168 -2.768 RESID 143 (Y): C 175.900 175.900 176.404 -0.504 RESID 143 (Y): CA 57.300 57.300 57.723 -0.423 RESID 143 (Y): CB 42.300 42.300 41.312 0.988 RESID 143 (Y): H 8.979 8.979 9.281 -0.302 RESID 144 (Q): N 119.500 119.500 120.050 -0.550 RESID 144 (Q): C 176.000 176.000 174.912 1.088 RESID 144 (Q): CA 56.490 56.490 55.907 0.583 RESID 144 (Q): CB 28.470 28.470 29.870 -1.401 RESID 144 (Q): H 8.974 8.974 8.741 0.233 RESID 145 (G): N 106.800 106.800 107.337 -0.537 RESID 145 (G): C 173.500 173.500 174.164 -0.664 RESID 145 (G): CA 44.300 44.300 44.333 -0.033 RESID 145 (G): H 7.531 7.531 7.862 -0.331 RESID 146 (Q): N 124.300 124.300 122.902 1.398 RESID 146 (Q): C 177.200 177.200 177.346 -0.146 RESID 146 (Q): CA 57.800 57.800 58.807 -1.007 RESID 146 (Q): CB 28.190 28.190 28.635 -0.445 RESID 146 (Q): H 8.949 8.949 8.862 0.087 RESID 147 (D): N 117.900 117.900 118.441 -0.541 RESID 147 (D): C 178.900 178.900 178.479 0.421 RESID 147 (D): CA 56.650 56.650 56.878 -0.228 RESID 147 (D): CB 38.890 38.890 39.741 -0.851 RESID 147 (D): H 8.746 8.746 8.785 -0.039 RESID 148 (N): N 117.500 117.500 117.861 -0.361 RESID 148 (N): C 176.700 176.700 177.270 -0.570 RESID 148 (N): CA 55.160 55.160 55.719 -0.559 RESID 148 (N): CB 38.700 38.700 38.123 0.577 RESID 148 (N): H 7.496 7.496 8.538 -1.042 RESID 149 (I): N 120.000 120.000 119.703 0.297 RESID 149 (I): C 177.400 177.400 177.584 -0.184 RESID 149 (I): CA 64.450 64.450 64.966 -0.516 RESID 149 (I): CB 35.900 35.900 37.626 -1.726 RESID 149 (I): H 6.793 6.793 7.074 -0.281 RESID 150 (Y): N 117.400 117.400 118.063 -0.663 RESID 150 (Y): C 178.800 178.800 178.137 0.663 RESID 150 (Y): CA 59.730 59.730 61.582 -1.852 RESID 150 (Y): CB 35.970 35.970 37.690 -1.720 RESID 150 (Y): H 6.897 6.897 7.397 -0.500 RESID 151 (S): N 117.000 117.000 115.024 1.976 RESID 151 (S): C 177.000 177.000 177.071 -0.071 RESID 151 (S): CA 61.300 61.300 61.896 -0.596 RESID 151 (S): CB 62.100 62.100 62.419 -0.319 RESID 151 (S): H 8.186 8.186 8.270 -0.084 RESID 152 (D): N 122.300 122.300 123.315 -1.015 RESID 152 (D): C 179.000 179.000 178.300 0.700 RESID 152 (D): CA 56.580 56.580 56.824 -0.244 RESID 152 (D): CB 38.240 38.240 40.388 -2.148 RESID 152 (D): H 7.541 7.541 7.688 -0.147 RESID 153 (L): N 124.100 124.100 121.477 2.623 RESID 153 (L): C 180.300 180.300 179.238 1.062 RESID 153 (L): CA 58.160 58.160 57.647 0.513 RESID 153 (L): CB 41.630 41.630 41.838 -0.208 RESID 153 (L): H 8.372 8.372 7.829 0.543 RESID 154 (T): N 111.900 111.900 114.800 -2.900 RESID 154 (T): C 176.700 176.700 175.202 1.498 RESID 154 (T): CA 63.920 63.920 65.644 -1.724 RESID 154 (T): CB 68.700 68.700 68.909 -0.209 RESID 154 (T): H 8.389 8.389 8.426 -0.037 RESID 155 (A): N 121.800 121.800 120.141 1.659 RESID 155 (A): C 178.200 178.200 178.046 0.154 RESID 155 (A): CA 51.640 51.640 52.307 -0.667 RESID 155 (A): CB 18.990 18.990 19.348 -0.358 RESID 155 (A): H 7.444 7.444 7.066 0.378 RESID 156 (G): N 107.800 107.800 107.175 0.625 RESID 156 (G): C 175.100 175.100 175.385 -0.285 RESID 156 (G): CA 45.420 45.420 45.206 0.214 RESID 156 (G): H 7.921 7.921 7.917 0.004 RESID 157 (R): N 119.000 119.000 119.199 -0.199 RESID 157 (R): C 176.600 176.600 175.723 0.877 RESID 157 (R): CA 57.260 57.260 57.607 -0.347 RESID 157 (R): CB 30.400 30.400 30.764 -0.364 RESID 157 (R): H 8.443 8.443 8.103 0.340 RESID 158 (I): N 108.900 108.900 112.973 -4.073 RESID 158 (I): C 173.700 173.700 174.314 -0.614 RESID 158 (I): CA 59.900 59.900 59.228 0.672 RESID 158 (I): CB 40.070 40.070 40.965 -0.895 RESID 158 (I): H 7.109 7.109 7.127 -0.018 RESID 159 (D): N 119.100 119.100 124.104 -5.004 RESID 159 (D): C 174.700 174.700 175.680 -0.980 RESID 159 (D): CA 55.900 55.900 56.357 -0.457 RESID 159 (D): CB 43.630 43.630 41.694 1.936 RESID 159 (D): H 8.737 8.737 8.569 0.168 RESID 160 (A): N 116.400 116.400 116.371 0.029 RESID 160 (A): C 174.900 174.900 174.329 0.571 RESID 160 (A): CA 50.190 50.190 51.472 -1.282 RESID 160 (A): CB 23.030 23.030 21.387 1.643 RESID 160 (A): H 7.702 7.702 7.167 0.535 RESID 161 (A): N 123.400 123.400 121.786 1.614 RESID 161 (A): C 175.500 175.500 175.664 -0.164 RESID 161 (A): CA 49.730 49.730 50.232 -0.502 RESID 161 (A): CB 21.110 21.110 21.623 -0.513 RESID 161 (A): H 8.915 8.915 7.993 0.922 RESID 162 (F): N 125.100 125.100 122.429 2.671 RESID 162 (F): C 172.900 172.900 174.986 -2.086 RESID 162 (F): CA 54.500 54.500 58.186 -3.686 RESID 162 (F): CB 39.400 39.400 38.826 0.574 RESID 162 (F): H 8.971 8.971 8.451 0.520 RESID 163 (Q): N 124.600 124.600 123.350 1.250 RESID 163 (Q): C 173.400 173.400 173.689 -0.289 RESID 163 (Q): CA 53.550 53.550 53.636 -0.086 RESID 163 (Q): CB 34.390 34.390 33.130 1.260 RESID 163 (Q): H 7.904 7.904 8.295 -0.391 RESID 164 (D): N 122.300 122.300 121.304 0.996 RESID 164 (D): C 175.800 175.800 177.214 -1.414 RESID 164 (D): CA 55.540 55.540 54.403 1.137 RESID 164 (D): CB 42.370 42.370 42.027 0.343 RESID 164 (D): H 8.304 8.304 8.424 -0.120 RESID 165 (E): N 128.600 128.600 122.717 5.883 RESID 165 (E): C 177.700 177.700 178.095 -0.395 RESID 165 (E): CA 60.230 60.230 60.092 0.138 RESID 165 (E): CB 30.020 30.020 29.800 0.220 RESID 165 (E): H 8.605 8.605 8.720 -0.115 RESID 166 (V): N 120.100 120.100 118.819 1.281 RESID 166 (V): C 178.300 178.300 177.277 1.023 RESID 166 (V): CA 66.800 66.800 66.694 0.106 RESID 166 (V): CB 30.070 30.070 30.254 -0.184 RESID 166 (V): H 8.748 8.748 8.157 0.591 RESID 167 (A): N 123.200 123.200 120.146 3.054 RESID 167 (A): C 182.500 182.500 179.084 3.416 RESID 167 (A): CA 54.980 54.980 54.684 0.296 RESID 167 (A): CB 17.910 17.910 17.992 -0.082 RESID 167 (A): H 8.655 8.655 7.901 0.754 RESID 168 (A): N 121.300 121.300 122.115 -0.815 RESID 168 (A): C 179.800 179.800 179.691 0.109 RESID 168 (A): CA 54.180 54.180 54.550 -0.370 RESID 168 (A): CB 18.750 18.750 18.379 0.371 RESID 168 (A): H 8.349 8.349 7.793 0.556 RESID 169 (S): N 113.400 113.400 114.436 -1.036 RESID 169 (S): C 175.700 175.700 176.175 -0.475 RESID 169 (S): CA 61.050 61.050 62.538 -1.488 RESID 169 (S): CB 63.050 63.050 62.624 0.426 RESID 169 (S): H 8.058 8.058 8.014 0.044 RESID 170 (E): N 115.600 115.600 120.263 -4.663 RESID 170 (E): C 178.800 178.800 177.274 1.526 RESID 170 (E): CA 57.610 57.610 58.158 -0.548 RESID 170 (E): CB 29.790 29.790 29.162 0.628 RESID 170 (E): H 8.824 8.824 7.880 0.944 RESID 171 (G): N 103.400 103.400 104.421 -1.021 RESID 171 (G): C 173.700 173.700 174.972 -1.272 RESID 171 (G): CA 44.970 44.970 45.203 -0.233 RESID 171 (G): H 8.154 8.154 7.360 0.794 RESID 172 (F): N 120.100 120.100 122.483 -2.383 RESID 172 (F): C 175.200 175.200 177.689 -2.489 RESID 172 (F): CA 60.690 60.690 61.278 -0.588 RESID 172 (F): CB 40.740 40.740 39.083 1.657 RESID 172 (F): H 7.297 7.297 8.377 -1.080 RESID 173 (L): N 117.800 117.800 117.725 0.075 RESID 173 (L): C 179.000 179.000 178.295 0.705 RESID 173 (L): CA 57.670 57.670 56.861 0.809 RESID 173 (L): CB 40.020 40.020 41.847 -1.827 RESID 173 (L): H 8.470 8.470 7.518 0.952 RESID 174 (K): N 114.600 114.600 117.253 -2.653 RESID 174 (K): C 176.900 176.900 176.167 0.733 RESID 174 (K): CA 56.450 56.450 57.243 -0.793 RESID 174 (K): CB 31.770 31.770 32.585 -0.815 RESID 174 (K): H 8.018 8.018 7.563 0.455 RESID 175 (Q): N 118.800 118.800 117.047 1.753 RESID 175 (Q): C 176.000 176.000 173.917 2.083 RESID 175 (Q): CA 52.510 52.510 52.224 0.286 RESID 175 (Q): CB 26.740 26.740 29.852 -3.112 RESID 175 (Q): H 7.151 7.151 7.258 -0.107 RESID 176 (P): C 179.300 179.300 177.306 1.994 RESID 176 (P): CA 66.100 66.100 65.424 0.676 RESID 176 (P): CB 30.720 30.720 31.519 -0.799 RESID 177 (V): N 112.300 112.300 117.312 -5.012 RESID 177 (V): C 175.900 175.900 177.883 -1.983 RESID 177 (V): CA 62.860 62.860 65.951 -3.091 RESID 177 (V): CB 30.660 30.660 30.546 0.114 RESID 177 (V): H 7.480 7.480 7.675 -0.195 RESID 178 (G): N 109.700 109.700 105.737 3.963 RESID 178 (G): C 175.000 175.000 174.789 0.211 RESID 178 (G): CA 44.080 44.080 46.199 -2.119 RESID 178 (G): H 7.173 7.173 7.903 -0.730 RESID 179 (K): N 120.900 120.900 119.187 1.713 RESID 179 (K): C 177.100 177.100 177.602 -0.502 RESID 179 (K): CA 58.360 58.360 58.464 -0.103 RESID 179 (K): CB 31.260 31.260 32.309 -1.049 RESID 179 (K): H 6.972 6.972 7.379 -0.407 RESID 180 (D): N 117.200 117.200 117.124 0.076 RESID 180 (D): C 173.900 173.900 175.875 -1.975 RESID 180 (D): CA 53.920 53.920 55.901 -1.981 RESID 180 (D): CB 39.690 39.690 41.282 -1.592 RESID 180 (D): H 8.036 8.036 7.450 0.586 RESID 181 (Y): N 120.500 120.500 114.953 5.547 RESID 181 (Y): C 172.300 172.300 173.483 -1.183 RESID 181 (Y): CA 57.890 57.890 57.732 0.158 RESID 181 (Y): CB 41.860 41.860 42.364 -0.504 RESID 181 (Y): H 7.768 7.768 7.442 0.326 RESID 182 (K): N 116.900 116.900 118.817 -1.917 RESID 182 (K): C 174.900 174.900 174.290 0.610 RESID 182 (K): CA 54.330 54.330 56.449 -2.119 RESID 182 (K): CB 35.610 35.610 33.322 2.288 RESID 182 (K): H 9.497 9.497 8.856 0.641 RESID 183 (F): N 117.900 117.900 121.124 -3.224 RESID 183 (F): C 177.800 177.800 175.146 2.654 RESID 183 (F): CA 56.780 56.780 57.890 -1.110 RESID 183 (F): CB 38.320 38.320 42.942 -4.622 RESID 183 (F): H 8.470 8.470 8.153 0.317 RESID 184 (G): N 113.700 113.700 109.018 4.682 RESID 184 (G): C 173.300 173.300 174.866 -1.566 RESID 184 (G): CA 46.900 46.900 44.913 1.987 RESID 184 (G): H 9.107 9.107 8.810 0.297 RESID 185 (G): N 111.000 111.000 108.795 2.205 RESID 185 (G): C 171.100 171.100 172.844 -1.744 RESID 185 (G): CA 44.530 44.530 45.441 -0.911 RESID 185 (G): H 7.702 7.702 8.247 -0.545 RESID 186 (P): C 175.500 175.500 176.207 -0.707 RESID 186 (P): CA 61.920 61.920 64.422 -2.502 RESID 186 (P): CB 32.640 32.640 31.826 0.814 RESID 187 (S): N 113.500 113.500 119.333 -5.833 RESID 187 (S): C 173.500 173.500 173.950 -0.450 RESID 187 (S): CA 57.930 57.930 57.206 0.724 RESID 187 (S): CB 63.260 63.260 65.852 -2.592 RESID 187 (S): H 8.452 8.452 8.338 0.114 RESID 188 (V): N 123.300 123.300 121.758 1.542 RESID 188 (V): C 173.900 173.900 173.503 0.397 RESID 188 (V): CA 61.800 61.800 62.074 -0.274 RESID 188 (V): CB 32.680 32.680 33.470 -0.790 RESID 188 (V): H 9.080 9.080 7.928 1.152 RESID 189 (K): N 125.200 125.200 122.048 3.152 RESID 189 (K): C 176.700 176.700 173.936 2.764 RESID 189 (K): CA 54.680 54.680 56.151 -1.471 RESID 189 (K): CB 33.780 33.780 34.841 -1.061 RESID 189 (K): H 8.123 8.123 8.219 -0.096 RESID 190 (D): N 120.300 120.300 122.160 -1.860 RESID 190 (D): C 175.300 175.300 176.918 -1.618 RESID 190 (D): CA 55.610 55.610 53.499 2.111 RESID 190 (D): CB 42.620 42.620 40.476 2.144 RESID 190 (D): H 8.823 8.823 8.278 0.545 RESID 191 (E): N 129.100 129.100 126.656 2.444 RESID 191 (E): C 177.300 177.300 177.594 -0.294 RESID 191 (E): CA 59.310 59.310 58.516 0.794 RESID 191 (E): CB 28.420 28.420 29.512 -1.092 RESID 191 (E): H 9.239 9.239 8.861 0.378 RESID 192 (K): N 118.000 118.000 119.071 -1.071 RESID 192 (K): C 178.200 178.200 177.859 0.341 RESID 192 (K): CA 58.140 58.140 58.875 -0.735 RESID 192 (K): CB 31.690 31.690 32.176 -0.486 RESID 192 (K): H 7.918 7.918 8.761 -0.843 RESID 193 (L): N 118.200 118.200 118.272 -0.072 RESID 193 (L): C 177.700 177.700 178.376 -0.676 RESID 193 (L): CA 55.790 55.790 56.860 -1.070 RESID 193 (L): CB 42.330 42.330 42.005 0.326 RESID 193 (L): H 8.362 8.362 7.213 1.149 RESID 194 (F): N 116.800 116.800 115.197 1.603 RESID 194 (F): C 178.200 178.200 175.866 2.334 RESID 194 (F): CA 54.620 54.620 57.282 -2.662 RESID 194 (F): CB 37.390 37.390 39.538 -2.148 RESID 194 (F): H 8.036 8.036 7.375 0.661 RESID 195 (G): N 106.900 106.900 108.887 -1.987 RESID 195 (G): C 174.200 174.200 174.575 -0.375 RESID 195 (G): CA 44.120 44.120 44.952 -0.832 RESID 195 (G): H 7.510 7.510 7.667 -0.157 RESID 196 (V): N 112.400 112.400 124.080 -11.680 RESID 196 (V): C 175.300 175.300 175.825 -0.525 RESID 196 (V): CA 60.720 60.720 63.971 -3.251 RESID 196 (V): CB 30.630 30.630 32.130 -1.500 RESID 196 (V): H 8.064 8.064 8.331 -0.267 RESID 197 (G): N 108.100 108.100 105.216 2.884 RESID 197 (G): C 172.300 172.300 172.009 0.291 RESID 197 (G): CA 43.210 43.210 45.271 -2.061 RESID 197 (G): H 7.788 7.788 7.250 0.538 RESID 198 (T): N 109.200 109.200 113.392 -4.192 RESID 198 (T): C 172.800 172.800 173.151 -0.351 RESID 198 (T): CA 59.090 59.090 59.311 -0.221 RESID 198 (T): CB 71.080 71.080 71.290 -0.210 RESID 198 (T): H 7.796 7.796 7.970 -0.174 RESID 199 (G): N 103.900 103.900 108.165 -4.265 RESID 199 (G): C 171.800 171.800 172.233 -0.433 RESID 199 (G): CA 43.840 43.840 45.639 -1.799 RESID 199 (G): H 7.928 7.928 7.851 0.077 RESID 200 (M): N 121.400 121.400 119.469 1.931 RESID 200 (M): C 176.200 176.200 176.088 0.112 RESID 200 (M): CA 55.260 55.260 54.756 0.504 RESID 200 (M): CB 33.390 33.390 35.605 -2.215 RESID 200 (M): H 7.971 7.971 8.189 -0.218 RESID 201 (G): N 112.200 112.200 110.531 1.669 RESID 201 (G): C 172.000 172.000 172.763 -0.763 RESID 201 (G): CA 44.540 44.540 44.348 0.192 RESID 201 (G): H 8.818 8.818 8.470 0.348 RESID 202 (L): N 124.700 124.700 125.082 -0.382 RESID 202 (L): C 176.000 176.000 175.991 0.009 RESID 202 (L): CA 53.740 53.740 52.872 0.868 RESID 202 (L): CB 46.010 46.010 45.832 0.178 RESID 202 (L): H 8.767 8.767 8.665 0.102 RESID 203 (R): N 121.600 121.600 120.172 1.428 RESID 203 (R): C 180.400 180.400 177.917 2.483 RESID 203 (R): CA 57.130 57.130 55.491 1.639 RESID 203 (R): CB 29.650 29.650 31.281 -1.631 RESID 203 (R): H 10.270 10.270 8.124 2.146 RESID 204 (K): N 123.200 123.200 124.435 -1.235 RESID 204 (K): C 178.200 178.200 177.648 0.552 RESID 204 (K): CA 59.570 59.570 59.666 -0.096 RESID 204 (K): CB 31.840 31.840 32.148 -0.308 RESID 204 (K): H 9.231 9.231 8.669 0.562 RESID 205 (E): N 113.800 113.800 117.081 -3.281 RESID 205 (E): C 177.700 177.700 177.903 -0.203 RESID 205 (E): CA 57.230 57.230 58.209 -0.979 RESID 205 (E): CB 27.770 27.770 28.894 -1.124 RESID 205 (E): H 9.026 9.026 8.220 0.806 RESID 206 (D): N 126.000 126.000 120.893 5.107 RESID 206 (D): C 177.300 177.300 176.482 0.818 RESID 206 (D): CA 53.710 53.710 53.639 0.071 RESID 206 (D): CB 37.530 37.530 38.705 -1.175 RESID 206 (D): H 7.253 7.253 8.072 -0.819 RESID 207 (N): N 120.100 120.100 120.448 -0.348 RESID 207 (N): C 176.900 176.900 177.006 -0.106 RESID 207 (N): CA 56.950 56.950 56.489 0.461 RESID 207 (N): CB 38.820 38.820 38.896 -0.076 RESID 207 (N): H 7.839 7.839 8.702 -0.863 RESID 208 (E): N 120.500 120.500 118.960 1.540 RESID 208 (E): C 179.900 179.900 178.491 1.409 RESID 208 (E): CA 59.870 59.870 58.983 0.886 RESID 208 (E): CB 27.630 27.630 29.434 -1.804 RESID 208 (E): H 8.776 8.776 8.326 0.450 RESID 209 (L): N 122.900 122.900 120.407 2.493 RESID 209 (L): C 177.100 177.100 178.203 -1.103 RESID 209 (L): CA 57.400 57.400 57.555 -0.155 RESID 209 (L): CB 40.660 40.660 41.847 -1.187 RESID 209 (L): H 8.366 8.366 7.869 0.497 RESID 210 (R): N 119.100 119.100 118.768 0.332 RESID 210 (R): C 177.400 177.400 178.216 -0.816 RESID 210 (R): CA 59.970 59.970 59.733 0.237 RESID 210 (R): CB 30.110 30.110 30.023 0.087 RESID 210 (R): H 7.582 7.582 8.320 -0.738 RESID 211 (E): N 116.200 116.200 119.248 -3.048 RESID 211 (E): C 179.800 179.800 178.528 1.272 RESID 211 (E): CA 59.150 59.150 59.262 -0.112 RESID 211 (E): CB 28.600 28.600 29.596 -0.996 RESID 211 (E): H 8.407 8.407 7.871 0.536 RESID 212 (A): N 123.500 123.500 122.676 0.824 RESID 212 (A): C 181.300 181.300 179.661 1.639 RESID 212 (A): CA 54.810 54.810 54.713 0.097 RESID 212 (A): CB 17.170 17.170 18.138 -0.968 RESID 212 (A): H 8.128 8.128 7.622 0.506 RESID 213 (L): N 121.200 121.200 119.576 1.624 RESID 213 (L): C 178.400 178.400 179.607 -1.207 RESID 213 (L): CA 57.710 57.710 58.179 -0.469 RESID 213 (L): CB 41.450 41.450 41.212 0.238 RESID 213 (L): H 8.364 8.364 8.057 0.307 RESID 214 (N): N 119.200 119.200 116.515 2.685 RESID 214 (N): C 179.700 179.700 177.846 1.854 RESID 214 (N): CA 55.260 55.260 55.882 -0.622 RESID 214 (N): CB 37.120 37.120 37.912 -0.792 RESID 214 (N): H 8.435 8.435 8.310 0.125 RESID 215 (K): N 123.800 123.800 121.321 2.479 RESID 215 (K): C 178.400 178.400 178.517 -0.117 RESID 215 (K): CA 59.090 59.090 59.407 -0.317 RESID 215 (K): CB 31.740 31.740 32.477 -0.737 RESID 215 (K): H 8.080 8.080 8.458 -0.378 RESID 216 (A): N 122.200 122.200 121.690 0.510 RESID 216 (A): C 179.500 179.500 179.500 0.000 RESID 216 (A): CA 54.140 54.140 54.879 -0.739 RESID 216 (A): CB 18.700 18.700 18.254 0.446 RESID 216 (A): H 7.935 7.935 8.159 -0.224 RESID 217 (F): N 119.500 119.500 120.121 -0.621 RESID 217 (F): C 177.200 177.200 176.952 0.248 RESID 217 (F): CA 61.390 61.390 60.280 1.110 RESID 217 (F): CB 38.000 38.000 39.056 -1.056 RESID 217 (F): H 8.916 8.916 8.295 0.621 RESID 218 (A): N 121.300 121.300 121.188 0.112 RESID 218 (A): C 182.100 182.100 179.670 2.430 RESID 218 (A): CA 54.810 54.810 55.200 -0.390 RESID 218 (A): CB 16.650 16.650 17.981 -1.331 RESID 218 (A): H 7.956 7.956 8.146 -0.190 RESID 219 (E): N 120.000 120.000 119.030 0.970 RESID 219 (E): C 178.600 178.600 179.001 -0.401 RESID 219 (E): CA 59.040 59.040 59.304 -0.264 RESID 219 (E): CB 28.320 28.320 29.479 -1.159 RESID 219 (E): H 7.952 7.952 7.816 0.136 RESID 220 (M): N 120.900 120.900 118.108 2.792 RESID 220 (M): C 179.000 179.000 178.549 0.451 RESID 220 (M): CA 57.430 57.430 59.448 -2.018 RESID 220 (M): CB 32.620 32.620 32.445 0.175 RESID 220 (M): H 8.190 8.190 8.132 0.058 RESID 221 (R): N 119.200 119.200 118.362 0.838 RESID 221 (R): C 179.300 179.300 178.865 0.435 RESID 221 (R): CA 58.710 58.710 58.919 -0.209 RESID 221 (R): CB 27.480 27.480 29.848 -2.368 RESID 221 (R): H 7.762 7.762 7.514 0.248 RESID 222 (A): N 122.500 122.500 122.071 0.429 RESID 222 (A): C 179.300 179.300 178.936 0.364 RESID 222 (A): CA 54.180 54.180 54.628 -0.448 RESID 222 (A): CB 18.030 18.030 18.557 -0.527 RESID 222 (A): H 7.838 7.838 7.734 0.104 RESID 223 (D): N 115.100 115.100 114.687 0.413 RESID 223 (D): C 177.900 177.900 177.244 0.656 RESID 223 (D): CA 53.020 53.020 53.131 -0.111 RESID 223 (D): CB 39.570 39.570 40.503 -0.933 RESID 223 (D): H 8.091 8.091 7.964 0.127 RESID 224 (G): N 106.700 106.700 108.775 -2.075 RESID 224 (G): C 176.000 176.000 175.997 0.003 RESID 224 (G): CA 45.070 45.070 46.263 -1.193 RESID 224 (G): H 7.199 7.199 7.382 -0.183 RESID 225 (T): N 122.400 122.400 117.140 5.260 RESID 225 (T): C 175.700 175.700 175.256 0.444 RESID 225 (T): CA 67.610 67.610 67.871 -0.261 RESID 225 (T): CB 66.840 66.840 68.747 -1.907 RESID 225 (T): H 9.095 9.095 8.796 0.299 RESID 226 (Y): N 121.500 121.500 121.665 -0.165 RESID 226 (Y): C 176.000 176.000 176.898 -0.898 RESID 226 (Y): CA 62.530 62.530 62.232 0.298 RESID 226 (Y): CB 38.410 38.410 38.263 0.147 RESID 226 (Y): H 8.040 8.040 7.622 0.418 RESID 227 (E): N 118.200 118.200 118.661 -0.461 RESID 227 (E): C 178.200 178.200 178.688 -0.488 RESID 227 (E): CA 58.940 58.940 59.437 -0.497 RESID 227 (E): CB 28.810 28.810 29.110 -0.300 RESID 227 (E): H 8.153 8.153 8.579 -0.426 RESID 228 (K): N 119.100 119.100 120.494 -1.394 RESID 228 (K): C 179.500 179.500 179.093 0.407 RESID 228 (K): CA 59.260 59.260 59.517 -0.257 RESID 228 (K): CB 31.520 31.520 32.434 -0.914 RESID 228 (K): H 7.558 7.558 8.354 -0.796 RESID 229 (L): N 119.100 119.100 119.356 -0.256 RESID 229 (L): C 179.300 179.300 178.859 0.441 RESID 229 (L): CA 56.970 56.970 57.739 -0.769 RESID 229 (L): CB 41.520 41.520 41.734 -0.214 RESID 229 (L): H 8.055 8.055 8.137 -0.082 RESID 230 (A): N 121.200 121.200 122.057 -0.857 RESID 230 (A): C 180.500 180.500 179.234 1.266 RESID 230 (A): CA 54.890 54.890 55.450 -0.560 RESID 230 (A): CB 17.570 17.570 17.701 -0.131 RESID 230 (A): H 8.901 8.901 8.271 0.630 RESID 231 (K): N 117.200 117.200 118.064 -0.864 RESID 231 (K): C 177.700 177.700 178.239 -0.539 RESID 231 (K): CA 57.370 57.370 58.819 -1.449 RESID 231 (K): CB 31.330 31.330 32.391 -1.061 RESID 231 (K): H 8.062 8.062 8.127 -0.065 RESID 232 (K): N 117.600 117.600 116.928 0.672 RESID 232 (K): C 176.800 176.800 179.364 -2.564 RESID 232 (K): CA 57.890 57.890 58.825 -0.935 RESID 232 (K): CB 31.150 31.150 32.784 -1.634 RESID 232 (K): H 7.053 7.053 7.588 -0.535 RESID 233 (Y): N 114.000 114.000 117.160 -3.160 RESID 233 (Y): C 175.100 175.100 175.757 -0.657 RESID 233 (Y): CA 58.110 58.110 61.293 -3.183 RESID 233 (Y): CB 39.360 39.360 39.035 0.325 RESID 233 (Y): H 7.013 7.013 8.288 -1.275 RESID 234 (F): N 116.400 116.400 113.417 2.983 RESID 234 (F): C 175.800 175.800 173.450 2.350 RESID 234 (F): CA 54.920 54.920 56.743 -1.823 RESID 234 (F): CB 41.260 41.260 42.825 -1.565 RESID 234 (F): H 8.038 8.038 8.183 -0.145 RESID 235 (D): N 123.000 123.000 120.764 2.236 RESID 235 (D): C 174.500 174.500 175.078 -0.578 RESID 235 (D): CA 52.680 52.680 53.393 -0.713 RESID 235 (D): CB 39.860 39.860 39.682 0.178 RESID 235 (D): H 8.879 8.879 8.637 0.242 RESID 236 (F): N 115.500 115.500 122.124 -6.624 RESID 236 (F): C 173.600 173.600 173.657 -0.057 RESID 236 (F): CA 53.950 53.950 56.195 -2.245 RESID 236 (F): CB 39.860 39.860 39.773 0.087 RESID 236 (F): H 6.793 6.793 7.437 -0.644 RESID 237 (D): N 119.700 119.700 121.968 -2.268 RESID 237 (D): C 175.800 175.800 177.119 -1.319 RESID 237 (D): CA 52.980 52.980 52.627 0.353 RESID 237 (D): CB 39.210 39.210 41.789 -2.579 RESID 237 (D): H 8.831 8.831 8.627 0.204 RESID 238 (V): N 129.900 129.900 122.547 7.353 RESID 238 (V): C 175.200 175.200 176.684 -1.484 RESID 238 (V): CA 61.840 61.840 65.112 -3.272 RESID 238 (V): CB 32.500 32.500 31.891 0.609 RESID 238 (V): H 7.376 7.376 8.367 -0.991 RESID 239 (Y): N 123.500 123.500 119.011 4.489 RESID 239 (Y): C 176.500 176.500 178.534 -2.034 RESID 239 (Y): CA 61.920 61.920 61.101 0.819 RESID 239 (Y): CB 38.010 38.010 37.712 0.298 RESID 239 (Y): H 8.314 8.314 7.927 0.387 RESID 240 (G): N 104.100 104.100 104.528 -0.428 RESID 240 (G): C 174.600 174.600 174.880 -0.280 RESID 240 (G): CA 45.930 45.930 45.310 0.620 RESID 240 (G): H 7.428 7.428 8.395 -0.967 N HA C CA CB H RESID 6 (P): ----- ----- -0.713 -0.616 -0.729 ----- RESID 7 (Q): 0.504 ----- -0.441 -0.894 -0.492 -0.341 RESID 8 (N): 1.749 ----- -0.508 -0.550 -1.006 -0.333 RESID 9 (I): -1.707 ----- -0.247 -0.555 -0.579 -0.713 RESID 10 (R): -0.516 ----- 0.320 -1.456 -0.676 0.142 RESID 11 (I): 2.762 ----- 0.527 0.160 -4.466 0.183 RESID 12 (G): 1.093 ----- -1.270 0.247 ----- 0.882 RESID 13 (T): -1.469 ----- 8.384 -0.232 -1.753 0.686 RESID 14 (D): -0.592 ----- 2.925 -0.294 -1.349 -0.403 RESID 15 (P): ----- ----- -1.103 -1.419 -4.505 ----- RESID 16 (T): 5.416 ----- 0.496 -2.500 -1.218 0.490 RESID 17 (Y): 3.872 ----- -0.402 -1.990 0.146 0.863 RESID 18 (A): 2.413 ----- -0.484 -4.588 -0.228 0.012 RESID 19 (P): ----- ----- -4.110 -2.388 0.137 ----- RESID 20 (F): 6.977 ----- 1.545 2.653 -3.305 -0.222 RESID 21 (E): -2.551 ----- -0.917 -0.963 -5.466 -0.915 RESID 22 (S): 4.211 ----- -0.799 -1.312 -1.109 0.432 RESID 23 (K): -2.071 ----- 2.525 -1.610 -1.702 -0.005 RESID 24 (N): 1.228 ----- 0.847 -1.404 -1.835 -0.115 RESID 25 (S): ----- ----- 0.112 0.031 -0.049 ----- RESID 26 (Q): -0.305 ----- -0.592 -0.414 -0.443 -0.465 RESID 27 (G): 1.164 ----- -0.407 -0.038 ----- 0.314 RESID 28 (E): 0.573 ----- 0.167 -1.432 -0.879 -0.225 RESID 29 (L): 2.970 ----- 1.160 0.517 -2.175 0.031 RESID 30 (V): -3.736 ----- 1.802 -1.723 0.134 1.235 RESID 31 (G): -0.389 ----- 0.982 -1.514 ----- 0.927 RESID 32 (F): -2.579 ----- 1.873 -1.046 -0.481 -0.152 RESID 33 (D): -2.726 ----- 1.038 -0.627 -1.815 1.494 RESID 34 (I): -0.813 ----- 0.262 -3.829 -4.173 -1.268 RESID 35 (D): 1.407 ----- 1.927 -0.343 0.121 0.630 RESID 36 (L): -0.384 ----- 0.535 -0.039 0.666 1.309 RESID 37 (A): -1.593 ----- -0.933 -0.127 -1.118 0.719 RESID 38 (K): -2.872 ----- 0.957 0.449 -0.490 0.636 RESID 39 (E): 2.180 ----- -1.065 -0.864 -1.494 -0.050 RESID 40 (L): 1.022 ----- -0.120 0.192 -1.518 0.701 RESID 41 (C): -2.695 ----- -1.676 -0.349 21.416 -0.135 RESID 42 (K): -0.383 ----- 1.681 -0.636 -0.926 -0.577 RESID 43 (R): 1.518 ----- 0.031 0.300 -0.239 0.420 RESID 44 (I): -5.730 ----- -0.839 -2.152 -1.575 -0.661 RESID 45 (N): 3.095 ----- -0.333 -0.954 0.700 -0.330 RESID 46 (T): 7.100 ----- 0.273 -0.260 -1.355 -0.025 RESID 47 (Q): 3.528 ----- 0.814 -0.560 -1.844 -0.298 RESID 48 (C): -0.425 ----- -0.585 -4.729 17.851 0.214 RESID 49 (T): -1.921 ----- 0.159 -1.052 -0.016 -0.479 RESID 50 (F): -2.161 ----- -0.120 0.067 0.385 0.363 RESID 51 (V): 2.736 ----- -0.003 -0.024 -1.758 0.279 RESID 52 (E): -2.135 ----- 1.792 -3.066 -1.006 -0.171 RESID 53 (N): 7.378 ----- -2.087 0.153 5.270 0.727 RESID 54 (P): ----- ----- -0.169 -0.725 -1.551 ----- RESID 55 (L): -0.182 ----- 0.890 -1.075 -0.019 0.403 RESID 56 (D): -3.629 ----- -0.835 -0.773 -0.546 0.128 RESID 57 (A): 0.465 ----- 1.036 -2.190 -0.467 -0.279 RESID 58 (L): 1.109 ----- -0.962 0.858 -1.767 -0.308 RESID 59 (I): 0.101 ----- 1.254 1.622 -0.711 1.378 RESID 60 (P): ----- ----- 0.873 -0.631 -1.275 ----- RESID 61 (S): -0.108 ----- -1.201 0.328 ----- -0.417 RESID 62 (L): 3.176 ----- 2.006 -0.327 0.035 0.172 RESID 63 (K): 1.904 ----- 0.121 0.336 -1.725 0.700 RESID 64 (A): 0.015 ----- -0.472 -0.319 -0.473 -0.251 RESID 65 (K): -1.828 ----- -0.445 -0.167 -2.166 0.083 RESID 66 (K): 2.900 ----- -0.536 -1.234 -0.844 0.601 RESID 67 (I): -4.957 ----- -1.407 0.031 -0.581 -0.226 RESID 68 (D): -2.781 ----- -3.581 0.115 1.670 1.052 RESID 69 (A): -0.385 ----- 1.047 -1.091 -0.043 0.050 RESID 70 (I): 0.077 ----- 0.051 -0.589 0.165 1.366 RESID 71 (M): -0.881 ----- -1.542 -1.888 -0.617 0.167 RESID 72 (S): 1.338 ----- -0.521 0.498 -0.738 0.087 RESID 73 (S): 4.613 ----- -0.220 -1.380 -0.191 -0.102 RESID 74 (L): -3.228 ----- -0.532 -1.321 -0.235 0.927 RESID 75 (S): 1.741 ----- 0.917 2.056 -1.724 0.205 RESID 76 (I): 9.342 ----- 1.051 1.641 -3.825 -0.009 RESID 77 (T): 3.081 ----- -0.266 -2.222 -0.722 -1.024 RESID 78 (E): -0.515 ----- 1.629 -1.737 -0.639 0.045 RESID 79 (K): 0.077 ----- 1.570 -0.306 -0.689 0.050 RESID 80 (R): -0.314 ----- 0.142 0.378 0.305 0.281 RESID 81 (Q): -0.707 ----- -2.407 -1.508 0.325 0.116 RESID 82 (Q): -2.577 ----- -0.400 -1.127 -0.534 -0.670 RESID 83 (E): -2.092 ----- -0.897 -1.421 1.894 -0.303 RESID 84 (I): 3.266 ----- -1.343 0.464 -0.665 0.305 RESID 85 (A): 0.229 ----- -0.240 -1.098 0.815 0.230 RESID 86 (F): -3.505 ----- 2.986 -1.035 0.245 -0.321 RESID 87 (T): -6.724 ----- 0.893 0.739 2.710 -0.455 RESID 88 (D): -2.108 ----- -1.317 -0.737 1.066 -0.005 RESID 89 (K): 1.578 ----- -0.392 -1.719 0.316 -0.019 RESID 90 (L): -3.064 ----- 0.347 -2.746 -1.642 0.053 RESID 91 (Y): 0.599 ----- -1.140 0.689 -2.844 -0.329 RESID 92 (A): 0.730 ----- -1.178 0.716 0.571 -0.946 RESID 93 (A): -0.351 ----- -0.926 0.482 -0.103 0.108 RESID 94 (D): 1.304 ----- -0.816 -1.224 -0.194 0.765 RESID 95 (S): -1.860 ----- -1.450 0.543 -0.082 -1.026 RESID 96 (R): 4.661 ----- -0.135 1.619 -0.295 0.464 RESID 97 (L): -0.878 ----- 1.665 0.347 -1.756 1.326 RESID 98 (V): 0.897 ----- 0.755 0.847 0.272 1.506 RESID 99 (V): -5.391 ----- 0.626 -0.820 0.890 1.137 RESID 100 (A): 0.909 ----- 0.653 2.095 -1.690 0.690 RESID 101 (K): -4.012 ----- -0.205 0.390 -0.485 -1.063 RESID 102 (N): -1.138 ----- 0.276 -2.286 -1.610 -0.225 RESID 103 (S): 0.160 ----- 2.742 0.713 0.404 0.095 RESID 104 (D): -0.786 ----- 1.717 -0.968 -0.603 0.004 RESID 105 (I): -1.220 ----- -0.715 3.182 -2.937 -0.341 RESID 106 (Q): -0.642 ----- 0.690 -0.668 2.051 -0.223 RESID 107 (P): ----- ----- -0.475 -1.769 -3.935 ----- RESID 108 (T): -3.149 ----- -0.376 -3.896 -1.064 0.824 RESID 109 (V): -1.718 ----- 0.368 0.838 -2.198 0.292 RESID 110 (E): -3.360 ----- -0.493 -0.892 -0.837 -0.351 RESID 111 (S): -0.092 ----- 0.762 -1.440 1.275 -1.133 RESID 112 (L): -4.290 ----- 0.005 -0.793 0.090 0.350 RESID 113 (K): 1.786 ----- 0.692 0.629 -1.399 -0.296 RESID 114 (G): 0.949 ----- -0.594 -0.125 ----- 0.094 RESID 115 (K): -1.120 ----- -1.331 -1.059 -1.272 0.661 RESID 116 (R): -1.468 ----- 0.581 -1.174 0.668 1.048 RESID 117 (V): 2.889 ----- 0.286 -0.281 -1.799 0.647 RESID 118 (G): 0.493 ----- -0.341 1.380 ----- 1.351 RESID 119 (V): -6.215 ----- 0.043 -2.179 -0.601 -0.143 RESID 120 (L): 0.277 ----- 1.247 -0.293 -1.526 0.126 RESID 121 (Q): 0.917 ----- -0.326 -0.421 -1.623 0.329 RESID 122 (G): -0.232 ----- 1.519 -0.232 ----- 0.720 RESID 123 (T): -1.884 ----- 2.320 0.294 2.862 -0.530 RESID 124 (T): 1.023 ----- 1.575 -0.879 -1.015 0.293 RESID 125 (Q): -1.715 ----- 0.138 1.982 -2.721 -0.755 RESID 126 (E): 2.117 ----- -1.322 -0.188 -0.917 -0.085 RESID 127 (T): 1.518 ----- -0.190 -0.572 -1.165 0.542 RESID 128 (F): -0.077 ----- 0.454 0.841 -0.125 0.206 RESID 129 (G): -0.107 ----- -0.384 -0.526 ----- -0.261 RESID 130 (N): 4.551 ----- 0.362 0.053 -0.628 0.350 RESID 131 (E): 2.287 ----- 0.799 1.238 -1.413 0.421 RESID 132 (H): -6.055 ----- 0.349 -1.900 0.710 -0.002 RESID 133 (W): 1.880 ----- 0.618 -0.969 0.673 0.166 RESID 134 (A): 0.749 ----- 0.473 0.783 -0.818 1.176 RESID 135 (P): ----- ----- -0.180 0.321 -0.188 ----- RESID 136 (K): -0.415 ----- -1.128 -2.396 -0.622 -0.462 RESID 137 (G): -2.245 ----- 0.786 0.375 ----- 0.200 RESID 138 (I): 5.022 ----- -0.401 0.344 -1.739 -0.591 RESID 139 (E): 1.078 ----- -1.200 0.431 -1.754 -0.104 RESID 140 (I): 7.941 ----- 1.347 -1.934 -6.211 0.293 RESID 141 (V): 7.883 ----- -0.119 -0.088 -3.815 0.433 RESID 142 (S): 2.794 ----- 1.448 0.328 -0.009 0.096 RESID 143 (Y): -2.768 ----- -0.504 -0.423 0.988 -0.302 RESID 144 (Q): -0.550 ----- 1.088 0.583 -1.401 0.233 RESID 145 (G): -0.537 ----- -0.664 -0.033 ----- -0.331 RESID 146 (Q): 1.398 ----- -0.146 -1.007 -0.445 0.087 RESID 147 (D): -0.541 ----- 0.421 -0.228 -0.851 -0.039 RESID 148 (N): -0.361 ----- -0.570 -0.559 0.577 -1.042 RESID 149 (I): 0.297 ----- -0.184 -0.516 -1.726 -0.281 RESID 150 (Y): -0.663 ----- 0.663 -1.852 -1.720 -0.500 RESID 151 (S): 1.976 ----- -0.071 -0.596 -0.319 -0.084 RESID 152 (D): -1.015 ----- 0.700 -0.244 -2.148 -0.147 RESID 153 (L): 2.623 ----- 1.062 0.513 -0.208 0.543 RESID 154 (T): -2.900 ----- 1.498 -1.724 -0.209 -0.037 RESID 155 (A): 1.659 ----- 0.154 -0.667 -0.358 0.378 RESID 156 (G): 0.625 ----- -0.285 0.214 ----- 0.004 RESID 157 (R): -0.199 ----- 0.877 -0.347 -0.364 0.340 RESID 158 (I): -4.073 ----- -0.614 0.672 -0.895 -0.018 RESID 159 (D): -5.004 ----- -0.980 -0.457 1.936 0.168 RESID 160 (A): 0.029 ----- 0.571 -1.282 1.643 0.535 RESID 161 (A): 1.614 ----- -0.164 -0.502 -0.513 0.922 RESID 162 (F): 2.671 ----- -2.086 -3.686 0.574 0.520 RESID 163 (Q): 1.250 ----- -0.289 -0.086 1.260 -0.391 RESID 164 (D): 0.996 ----- -1.414 1.137 0.343 -0.120 RESID 165 (E): 5.883 ----- -0.395 0.138 0.220 -0.115 RESID 166 (V): 1.281 ----- 1.023 0.106 -0.184 0.591 RESID 167 (A): 3.054 ----- 3.416 0.296 -0.082 0.754 RESID 168 (A): -0.815 ----- 0.109 -0.370 0.371 0.556 RESID 169 (S): -1.036 ----- -0.475 -1.488 0.426 0.044 RESID 170 (E): -4.663 ----- 1.526 -0.548 0.628 0.944 RESID 171 (G): -1.021 ----- -1.272 -0.233 ----- 0.794 RESID 172 (F): -2.383 ----- -2.489 -0.588 1.657 -1.080 RESID 173 (L): 0.075 ----- 0.705 0.809 -1.827 0.952 RESID 174 (K): -2.653 ----- 0.733 -0.793 -0.815 0.455 RESID 175 (Q): 1.753 ----- 2.083 0.286 -3.112 -0.107 RESID 176 (P): ----- ----- 1.994 0.676 -0.799 ----- RESID 177 (V): -5.012 ----- -1.983 -3.091 0.114 -0.195 RESID 178 (G): 3.963 ----- 0.211 -2.119 ----- -0.730 RESID 179 (K): 1.713 ----- -0.502 -0.103 -1.049 -0.407 RESID 180 (D): 0.076 ----- -1.975 -1.981 -1.592 0.586 RESID 181 (Y): 5.547 ----- -1.183 0.158 -0.504 0.326 RESID 182 (K): -1.917 ----- 0.610 -2.119 2.288 0.641 RESID 183 (F): -3.224 ----- 2.654 -1.110 -4.622 0.317 RESID 184 (G): 4.682 ----- -1.566 1.987 ----- 0.297 RESID 185 (G): 2.205 ----- -1.744 -0.911 ----- -0.545 RESID 186 (P): ----- ----- -0.707 -2.502 0.814 ----- RESID 187 (S): -5.833 ----- -0.450 0.724 -2.592 0.114 RESID 188 (V): 1.542 ----- 0.397 -0.274 -0.790 1.152 RESID 189 (K): 3.152 ----- 2.764 -1.471 -1.061 -0.096 RESID 190 (D): -1.860 ----- -1.618 2.111 2.144 0.545 RESID 191 (E): 2.444 ----- -0.294 0.794 -1.092 0.378 RESID 192 (K): -1.071 ----- 0.341 -0.735 -0.486 -0.843 RESID 193 (L): -0.072 ----- -0.676 -1.070 0.326 1.149 RESID 194 (F): 1.603 ----- 2.334 -2.662 -2.148 0.661 RESID 195 (G): -1.987 ----- -0.375 -0.832 ----- -0.157 RESID 196 (V): -11.680 ----- -0.525 -3.251 -1.500 -0.267 RESID 197 (G): 2.884 ----- 0.291 -2.061 ----- 0.538 RESID 198 (T): -4.192 ----- -0.351 -0.221 -0.210 -0.174 RESID 199 (G): -4.265 ----- -0.433 -1.799 ----- 0.077 RESID 200 (M): 1.931 ----- 0.112 0.504 -2.215 -0.218 RESID 201 (G): 1.669 ----- -0.763 0.192 ----- 0.348 RESID 202 (L): -0.382 ----- 0.009 0.868 0.178 0.102 RESID 203 (R): 1.428 ----- 2.483 1.639 -1.631 2.146 RESID 204 (K): -1.235 ----- 0.552 -0.096 -0.308 0.562 RESID 205 (E): -3.281 ----- -0.203 -0.979 -1.124 0.806 RESID 206 (D): 5.107 ----- 0.818 0.071 -1.175 -0.819 RESID 207 (N): -0.348 ----- -0.106 0.461 -0.076 -0.863 RESID 208 (E): 1.540 ----- 1.409 0.886 -1.804 0.450 RESID 209 (L): 2.493 ----- -1.103 -0.155 -1.187 0.497 RESID 210 (R): 0.332 ----- -0.816 0.237 0.087 -0.738 RESID 211 (E): -3.048 ----- 1.272 -0.112 -0.996 0.536 RESID 212 (A): 0.824 ----- 1.639 0.097 -0.968 0.506 RESID 213 (L): 1.624 ----- -1.207 -0.469 0.238 0.307 RESID 214 (N): 2.685 ----- 1.854 -0.622 -0.792 0.125 RESID 215 (K): 2.479 ----- -0.117 -0.317 -0.737 -0.378 RESID 216 (A): 0.510 ----- 0.000 -0.739 0.446 -0.224 RESID 217 (F): -0.621 ----- 0.248 1.110 -1.056 0.621 RESID 218 (A): 0.112 ----- 2.430 -0.390 -1.331 -0.190 RESID 219 (E): 0.970 ----- -0.401 -0.264 -1.159 0.136 RESID 220 (M): 2.792 ----- 0.451 -2.018 0.175 0.058 RESID 221 (R): 0.838 ----- 0.435 -0.209 -2.368 0.248 RESID 222 (A): 0.429 ----- 0.364 -0.448 -0.527 0.104 RESID 223 (D): 0.413 ----- 0.656 -0.111 -0.933 0.127 RESID 224 (G): -2.075 ----- 0.003 -1.193 ----- -0.183 RESID 225 (T): 5.260 ----- 0.444 -0.261 -1.907 0.299 RESID 226 (Y): -0.165 ----- -0.898 0.298 0.147 0.418 RESID 227 (E): -0.461 ----- -0.488 -0.497 -0.300 -0.426 RESID 228 (K): -1.394 ----- 0.407 -0.257 -0.914 -0.796 RESID 229 (L): -0.256 ----- 0.441 -0.769 -0.214 -0.082 RESID 230 (A): -0.857 ----- 1.266 -0.560 -0.131 0.630 RESID 231 (K): -0.864 ----- -0.539 -1.449 -1.061 -0.065 RESID 232 (K): 0.672 ----- -2.564 -0.935 -1.634 -0.535 RESID 233 (Y): -3.160 ----- -0.657 -3.183 0.325 -1.275 RESID 234 (F): 2.983 ----- 2.350 -1.823 -1.565 -0.145 RESID 235 (D): 2.236 ----- -0.578 -0.713 0.178 0.242 RESID 236 (F): -6.624 ----- -0.057 -2.245 0.087 -0.644 RESID 237 (D): -2.268 ----- -1.319 0.353 -2.579 0.204 RESID 238 (V): 7.353 ----- -1.484 -3.272 0.609 -0.991 RESID 239 (Y): 4.489 ----- -2.034 0.819 0.298 0.387 RESID 240 (G): -0.428 ----- -0.280 0.620 ----- -0.967 DATA CS_STAT_INFO N RMS: 2.923 ppm Count: 226 Average Difference: -0.150 +/- 2.925 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.291 ppm Count: 236 Average Difference: -0.108 +/- 1.290 ppm DATA CS_STAT_INFO CA RMS: 1.333 ppm Count: 236 Average Difference: 0.534 +/- 1.224 ppm DATA CS_STAT_INFO CB RMS: 2.458 ppm Count: 215 Average Difference: 0.517 +/- 2.409 ppm DATA CS_STAT_INFO HN RMS: 0.589 ppm Count: 226 Average Difference: -0.112 +/- 0.579 ppm ############################################################################ For conformer 14: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.241 0.059 RESID 5 (I): C 174.300 174.300 174.353 -0.053 RESID 5 (I): CA 57.710 57.710 59.767 -2.057 RESID 5 (I): CB 37.260 37.260 37.759 -0.499 RESID 5 (I): H 7.868 7.868 8.239 -0.371 RESID 6 (P): C 176.100 176.100 176.803 -0.703 RESID 6 (P): CA 62.180 62.180 62.797 -0.617 RESID 6 (P): CB 31.620 31.620 32.347 -0.727 RESID 7 (Q): N 119.200 119.200 119.573 -0.373 RESID 7 (Q): C 175.600 175.600 176.004 -0.404 RESID 7 (Q): CA 57.190 57.190 57.858 -0.667 RESID 7 (Q): CB 28.500 28.500 29.139 -0.639 RESID 7 (Q): H 8.380 8.380 8.680 -0.300 RESID 8 (N): N 116.300 116.300 114.459 1.841 RESID 8 (N): C 173.600 173.600 173.896 -0.296 RESID 8 (N): CA 51.720 51.720 52.382 -0.662 RESID 8 (N): CB 40.540 40.540 41.822 -1.282 RESID 8 (N): H 7.472 7.472 7.805 -0.333 RESID 9 (I): N 121.000 121.000 123.399 -2.399 RESID 9 (I): C 174.700 174.700 174.861 -0.161 RESID 9 (I): CA 59.480 59.480 60.192 -0.712 RESID 9 (I): CB 39.740 39.740 39.654 0.086 RESID 9 (I): H 8.416 8.416 9.138 -0.722 RESID 10 (R): N 126.500 126.500 127.778 -1.278 RESID 10 (R): C 175.800 175.800 175.046 0.754 RESID 10 (R): CA 53.950 53.950 55.741 -1.791 RESID 10 (R): CB 30.670 30.670 30.920 -0.250 RESID 10 (R): H 9.098 9.098 8.682 0.416 RESID 11 (I): N 127.500 127.500 124.206 3.294 RESID 11 (I): C 175.600 175.600 175.261 0.339 RESID 11 (I): CA 59.480 59.480 59.363 0.117 RESID 11 (I): CB 37.460 37.460 41.472 -4.012 RESID 11 (I): H 9.279 9.279 8.999 0.280 RESID 12 (G): N 114.800 114.800 114.282 0.518 RESID 12 (G): C 171.700 171.700 172.965 -1.265 RESID 12 (G): CA 44.540 44.540 44.278 0.262 RESID 12 (G): H 9.382 9.382 8.590 0.792 RESID 13 (T): N 120.600 120.600 121.540 -0.940 RESID 13 (T): C 181.600 181.600 173.028 8.572 RESID 13 (T): CA 61.470 61.470 62.098 -0.628 RESID 13 (T): CB 69.970 69.970 71.834 -1.863 RESID 13 (T): H 8.594 8.594 7.972 0.622 RESID 14 (D): N 127.000 127.000 127.692 -0.692 RESID 14 (D): C 177.500 177.500 174.726 2.774 RESID 14 (D): CA 49.760 49.760 50.307 -0.547 RESID 14 (D): CB 40.580 40.580 42.374 -1.794 RESID 14 (D): H 8.200 8.200 8.691 -0.491 RESID 15 (P): C 175.400 175.400 176.447 -1.047 RESID 15 (P): CA 61.920 61.920 63.309 -1.389 RESID 15 (P): CB 27.890 27.890 32.395 -4.505 RESID 16 (T): N 116.200 116.200 110.687 5.513 RESID 16 (T): C 174.000 174.000 173.195 0.805 RESID 16 (T): CA 59.560 59.560 62.013 -2.453 RESID 16 (T): CB 68.650 68.650 69.765 -1.115 RESID 16 (T): H 8.739 8.739 8.284 0.455 RESID 17 (Y): N 125.800 125.800 121.899 3.901 RESID 17 (Y): C 175.200 175.200 175.658 -0.458 RESID 17 (Y): CA 54.180 54.180 56.083 -1.903 RESID 17 (Y): CB 38.700 38.700 38.418 0.282 RESID 17 (Y): H 8.943 8.943 8.043 0.900 RESID 18 (A): N 132.100 132.100 129.677 2.423 RESID 18 (A): C 176.000 176.000 176.450 -0.450 RESID 18 (A): CA 51.490 51.490 56.072 -4.582 RESID 18 (A): CB 16.070 16.070 16.251 -0.181 RESID 18 (A): H 8.945 8.945 8.926 0.019 RESID 19 (P): C 173.500 173.500 177.800 -4.300 RESID 19 (P): CA 62.890 62.890 65.243 -2.353 RESID 19 (P): CB 31.790 31.790 31.585 0.205 RESID 20 (F): N 125.100 125.100 117.331 7.769 RESID 20 (F): C 176.700 176.700 175.107 1.593 RESID 20 (F): CA 62.420 62.420 59.717 2.703 RESID 20 (F): CB 37.980 37.980 41.049 -3.069 RESID 20 (F): H 8.117 8.117 8.239 -0.122 RESID 21 (E): N 111.800 111.800 114.513 -2.713 RESID 21 (E): C 173.600 173.600 174.432 -0.832 RESID 21 (E): CA 54.400 54.400 55.230 -0.830 RESID 21 (E): CB 28.770 28.770 34.144 -5.374 RESID 21 (E): H 7.701 7.701 8.487 -0.786 RESID 22 (S): N 117.200 117.200 113.136 4.064 RESID 22 (S): C 171.500 171.500 172.280 -0.780 RESID 22 (S): CA 57.290 57.290 58.557 -1.267 RESID 22 (S): CB 62.940 62.940 64.158 -1.218 RESID 22 (S): H 8.750 8.750 8.311 0.439 RESID 23 (K): N 117.400 117.400 119.251 -1.851 RESID 23 (K): C 177.600 177.600 174.989 2.611 RESID 23 (K): CA 53.700 53.700 55.369 -1.669 RESID 23 (K): CB 33.330 33.330 35.137 -1.807 RESID 23 (K): H 8.238 8.238 8.231 0.007 RESID 24 (N): N 122.400 122.400 120.768 1.632 RESID 24 (N): C 178.000 178.000 176.930 1.070 RESID 24 (N): CA 50.600 50.600 51.895 -1.295 RESID 24 (N): CB 38.140 38.140 40.029 -1.889 RESID 24 (N): H 8.584 8.584 8.513 0.071 RESID 25 (S): C 175.400 175.400 175.451 -0.051 RESID 25 (S): CA 60.970 60.970 60.923 0.047 RESID 25 (S): CB 62.410 62.410 62.582 -0.172 RESID 26 (Q): N 119.300 119.300 119.505 -0.205 RESID 26 (Q): C 176.200 176.200 176.792 -0.592 RESID 26 (Q): CA 55.180 55.180 55.586 -0.405 RESID 26 (Q): CB 28.260 28.260 28.714 -0.454 RESID 26 (Q): H 7.520 7.520 7.882 -0.362 RESID 27 (G): N 108.800 108.800 107.554 1.246 RESID 27 (G): C 173.700 173.700 173.978 -0.278 RESID 27 (G): CA 45.050 45.050 44.985 0.065 RESID 27 (G): H 8.169 8.169 7.802 0.367 RESID 28 (E): N 121.200 121.200 119.542 1.658 RESID 28 (E): C 175.800 175.800 175.534 0.266 RESID 28 (E): CA 54.490 54.490 55.800 -1.310 RESID 28 (E): CB 29.750 29.750 30.735 -0.985 RESID 28 (E): H 7.836 7.836 8.126 -0.290 RESID 29 (L): N 123.500 123.500 121.017 2.483 RESID 29 (L): C 176.400 176.400 175.896 0.504 RESID 29 (L): CA 54.310 54.310 53.874 0.436 RESID 29 (L): CB 41.180 41.180 43.006 -1.826 RESID 29 (L): H 8.281 8.281 8.269 0.012 RESID 30 (V): N 118.200 118.200 122.640 -4.440 RESID 30 (V): C 175.300 175.300 173.590 1.710 RESID 30 (V): CA 58.360 58.360 60.124 -1.764 RESID 30 (V): CB 36.080 36.080 35.947 0.133 RESID 30 (V): H 8.900 8.900 7.910 0.990 RESID 31 (G): N 109.800 109.800 110.522 -0.722 RESID 31 (G): C 174.400 174.400 173.527 0.873 RESID 31 (G): CA 43.830 43.830 45.220 -1.390 RESID 31 (G): H 8.611 8.611 7.500 1.111 RESID 32 (F): N 119.900 119.900 122.790 -2.890 RESID 32 (F): C 177.900 177.900 175.950 1.950 RESID 32 (F): CA 59.800 59.800 60.119 -0.319 RESID 32 (F): CB 38.950 38.950 39.245 -0.295 RESID 32 (F): H 8.295 8.295 8.234 0.061 RESID 33 (D): N 116.500 116.500 119.057 -2.557 RESID 33 (D): C 179.100 179.100 178.032 1.068 RESID 33 (D): CA 56.180 56.180 56.533 -0.353 RESID 33 (D): CB 38.610 38.610 40.213 -1.603 RESID 33 (D): H 8.935 8.935 7.198 1.737 RESID 34 (I): N 118.800 118.800 119.677 -0.877 RESID 34 (I): C 178.000 178.000 177.721 0.279 RESID 34 (I): CA 60.950 60.950 64.752 -3.802 RESID 34 (I): CB 33.620 33.620 37.815 -4.195 RESID 34 (I): H 6.535 6.535 7.724 -1.189 RESID 35 (D): N 121.000 121.000 120.359 0.641 RESID 35 (D): C 180.300 180.300 178.685 1.615 RESID 35 (D): CA 57.100 57.100 57.408 -0.308 RESID 35 (D): CB 40.420 40.420 40.311 0.109 RESID 35 (D): H 8.536 8.536 7.803 0.733 RESID 36 (L): N 120.500 120.500 120.921 -0.421 RESID 36 (L): C 178.500 178.500 177.981 0.519 RESID 36 (L): CA 57.720 57.720 57.802 -0.082 RESID 36 (L): CB 42.230 42.230 41.569 0.661 RESID 36 (L): H 8.508 8.508 7.215 1.293 RESID 37 (A): N 120.200 120.200 121.851 -1.651 RESID 37 (A): C 178.600 178.600 179.510 -0.910 RESID 37 (A): CA 55.170 55.170 55.333 -0.163 RESID 37 (A): CB 17.340 17.340 18.407 -1.067 RESID 37 (A): H 8.383 8.383 7.631 0.752 RESID 38 (K): N 116.400 116.400 119.281 -2.881 RESID 38 (K): C 180.100 180.100 179.165 0.935 RESID 38 (K): CA 60.530 60.530 60.017 0.513 RESID 38 (K): CB 31.840 31.840 32.337 -0.498 RESID 38 (K): H 8.780 8.780 8.106 0.674 RESID 39 (E): N 121.500 121.500 119.323 2.177 RESID 39 (E): C 178.300 178.300 179.393 -1.093 RESID 39 (E): CA 58.430 58.430 59.330 -0.900 RESID 39 (E): CB 27.990 27.990 29.517 -1.527 RESID 39 (E): H 7.692 7.692 7.790 -0.098 RESID 40 (L): N 121.500 121.500 120.383 1.117 RESID 40 (L): C 178.700 178.700 178.839 -0.139 RESID 40 (L): CA 58.490 58.490 58.267 0.224 RESID 40 (L): CB 40.250 40.250 41.749 -1.499 RESID 40 (L): H 8.563 8.563 7.940 0.623 RESID 41 (C): N 115.700 115.700 118.540 -2.840 RESID 41 (C): C 175.800 175.800 177.478 -1.678 RESID 41 (C): CA 62.390 62.390 62.791 -0.401 RESID 41 (C): CB 46.860 46.860 25.453 21.407 RESID 41 (C): H 8.598 8.598 8.759 -0.161 RESID 42 (K): N 119.300 119.300 119.569 -0.269 RESID 42 (K): C 180.800 180.800 179.172 1.628 RESID 42 (K): CA 58.810 58.810 59.457 -0.647 RESID 42 (K): CB 31.430 31.430 32.355 -0.925 RESID 42 (K): H 7.490 7.490 8.075 -0.585 RESID 43 (R): N 119.500 119.500 118.107 1.393 RESID 43 (R): C 178.700 178.700 178.675 0.025 RESID 43 (R): CA 58.760 58.760 58.472 0.288 RESID 43 (R): CB 29.980 29.980 30.207 -0.227 RESID 43 (R): H 8.057 8.057 7.554 0.503 RESID 44 (I): N 111.800 111.800 117.527 -5.727 RESID 44 (I): C 175.000 175.000 175.818 -0.818 RESID 44 (I): CA 60.940 60.940 63.098 -2.158 RESID 44 (I): CB 36.630 36.630 38.167 -1.537 RESID 44 (I): H 7.765 7.765 8.467 -0.702 RESID 45 (N): N 118.800 118.800 115.732 3.068 RESID 45 (N): C 173.600 173.600 173.941 -0.341 RESID 45 (N): CA 53.670 53.670 54.621 -0.952 RESID 45 (N): CB 36.620 36.620 35.915 0.705 RESID 45 (N): H 7.752 7.752 8.027 -0.275 RESID 46 (T): N 112.800 112.800 105.630 7.170 RESID 46 (T): C 173.100 173.100 172.793 0.307 RESID 46 (T): CA 60.020 60.020 60.335 -0.315 RESID 46 (T): CB 70.500 70.500 71.804 -1.304 RESID 46 (T): H 7.920 7.920 7.949 -0.029 RESID 47 (Q): N 123.500 123.500 119.924 3.576 RESID 47 (Q): C 175.400 175.400 174.582 0.818 RESID 47 (Q): CA 54.550 54.550 55.060 -0.510 RESID 47 (Q): CB 28.670 28.670 30.603 -1.933 RESID 47 (Q): H 8.037 8.037 8.289 -0.252 RESID 48 (C): N 123.800 123.800 124.196 -0.396 RESID 48 (C): C 173.800 173.800 174.462 -0.662 RESID 48 (C): CA 53.170 53.170 57.813 -4.643 RESID 48 (C): CB 47.290 47.290 29.426 17.864 RESID 48 (C): H 8.881 8.881 8.674 0.207 RESID 49 (T): N 118.600 118.600 120.653 -2.053 RESID 49 (T): C 172.700 172.700 172.555 0.145 RESID 49 (T): CA 60.210 60.210 61.243 -1.033 RESID 49 (T): CB 70.980 70.980 71.025 -0.045 RESID 49 (T): H 8.324 8.324 8.827 -0.503 RESID 50 (F): N 123.800 123.800 126.010 -2.210 RESID 50 (F): C 175.800 175.800 175.917 -0.117 RESID 50 (F): CA 57.370 57.370 57.424 -0.054 RESID 50 (F): CB 40.730 40.730 40.230 0.500 RESID 50 (F): H 8.982 8.982 8.647 0.335 RESID 51 (V): N 126.300 126.300 123.863 2.437 RESID 51 (V): C 174.700 174.700 174.742 -0.042 RESID 51 (V): CA 60.650 60.650 60.676 -0.026 RESID 51 (V): CB 33.700 33.700 35.319 -1.619 RESID 51 (V): H 9.271 9.271 9.051 0.220 RESID 52 (E): N 126.900 126.900 129.077 -2.177 RESID 52 (E): C 176.900 176.900 175.248 1.652 RESID 52 (E): CA 54.480 54.480 57.265 -2.785 RESID 52 (E): CB 29.350 29.350 30.373 -1.023 RESID 52 (E): H 8.617 8.617 8.770 -0.153 RESID 53 (N): N 127.100 127.100 120.871 6.229 RESID 53 (N): C 170.600 170.600 172.404 -1.804 RESID 53 (N): CA 51.220 51.220 51.414 -0.194 RESID 53 (N): CB 43.980 43.980 38.357 5.623 RESID 53 (N): H 8.917 8.917 8.232 0.685 RESID 54 (P): C 178.600 178.600 178.749 -0.149 RESID 54 (P): CA 61.650 61.650 62.360 -0.710 RESID 54 (P): CB 31.460 31.460 32.889 -1.429 RESID 55 (L): N 124.200 124.200 124.196 0.004 RESID 55 (L): C 179.600 179.600 178.713 0.887 RESID 55 (L): CA 58.130 58.130 59.209 -1.079 RESID 55 (L): CB 41.470 41.470 41.390 0.080 RESID 55 (L): H 9.096 9.096 8.788 0.308 RESID 56 (D): N 115.400 115.400 119.010 -3.610 RESID 56 (D): C 176.500 176.500 177.328 -0.828 RESID 56 (D): CA 56.080 56.080 56.855 -0.774 RESID 56 (D): CB 39.640 39.640 40.182 -0.542 RESID 56 (D): H 8.651 8.651 8.527 0.124 RESID 57 (A): N 120.400 120.400 119.937 0.463 RESID 57 (A): C 180.000 180.000 178.962 1.038 RESID 57 (A): CA 51.440 51.440 53.618 -2.178 RESID 57 (A): CB 19.170 19.170 19.638 -0.468 RESID 57 (A): H 8.079 8.079 8.346 -0.267 RESID 58 (L): N 122.300 122.300 121.179 1.121 RESID 58 (L): C 177.800 177.800 178.758 -0.958 RESID 58 (L): CA 58.960 58.960 58.105 0.855 RESID 58 (L): CB 40.150 40.150 41.906 -1.756 RESID 58 (L): H 7.783 7.783 8.087 -0.304 RESID 59 (I): N 119.600 119.600 119.482 0.118 RESID 59 (I): C 176.400 176.400 175.151 1.249 RESID 59 (I): CA 68.170 68.170 66.525 1.645 RESID 59 (I): CB 33.980 33.980 34.688 -0.708 RESID 59 (I): H 9.094 9.094 7.708 1.386 RESID 60 (P): C 180.100 180.100 179.218 0.882 RESID 60 (P): CA 65.890 65.890 66.491 -0.601 RESID 60 (P): CB 29.980 29.980 31.260 -1.280 RESID 61 (S): N 114.800 114.800 114.931 -0.131 RESID 61 (S): C 175.500 175.500 176.696 -1.196 RESID 61 (S): CA 62.170 62.170 61.837 0.333 RESID 61 (S): H 7.865 7.865 8.220 -0.355 RESID 62 (L): N 126.200 126.200 123.035 3.165 RESID 62 (L): C 181.000 181.000 179.046 1.954 RESID 62 (L): CA 57.400 57.400 57.749 -0.349 RESID 62 (L): CB 41.820 41.820 41.811 0.009 RESID 62 (L): H 8.296 8.296 8.114 0.182 RESID 63 (K): N 121.000 121.000 119.139 1.861 RESID 63 (K): C 178.000 178.000 178.253 -0.253 RESID 63 (K): CA 59.500 59.500 59.265 0.235 RESID 63 (K): CB 30.770 30.770 32.465 -1.695 RESID 63 (K): H 8.461 8.461 7.716 0.745 RESID 64 (A): N 118.700 118.700 118.513 0.187 RESID 64 (A): C 176.200 176.200 176.653 -0.453 RESID 64 (A): CA 51.680 51.680 51.909 -0.229 RESID 64 (A): CB 18.140 18.140 18.443 -0.303 RESID 64 (A): H 7.686 7.686 7.980 -0.294 RESID 65 (K): N 112.200 112.200 114.010 -1.810 RESID 65 (K): C 176.000 176.000 176.455 -0.455 RESID 65 (K): CA 57.800 57.800 57.967 -0.167 RESID 65 (K): CB 27.730 27.730 29.886 -2.156 RESID 65 (K): H 7.751 7.751 7.693 0.058 RESID 66 (K): N 118.300 118.300 115.421 2.879 RESID 66 (K): C 176.600 176.600 177.149 -0.549 RESID 66 (K): CA 57.200 57.200 58.465 -1.265 RESID 66 (K): CB 32.170 32.170 33.012 -0.842 RESID 66 (K): H 8.415 8.415 7.823 0.592 RESID 67 (I): N 107.500 107.500 112.657 -5.157 RESID 67 (I): C 174.000 174.000 175.409 -1.409 RESID 67 (I): CA 59.050 59.050 59.068 -0.018 RESID 67 (I): CB 40.470 40.470 41.002 -0.532 RESID 67 (I): H 7.034 7.034 7.259 -0.225 RESID 68 (D): N 119.000 119.000 122.487 -3.487 RESID 68 (D): C 172.200 172.200 175.949 -3.749 RESID 68 (D): CA 55.560 55.560 55.307 0.253 RESID 68 (D): CB 44.210 44.210 42.503 1.707 RESID 68 (D): H 9.739 9.739 8.475 1.264 RESID 69 (A): N 117.400 117.400 118.317 -0.917 RESID 69 (A): C 175.900 175.900 174.814 1.086 RESID 69 (A): CA 50.120 50.120 51.169 -1.049 RESID 69 (A): CB 21.960 21.960 22.158 -0.198 RESID 69 (A): H 7.660 7.660 7.777 -0.117 RESID 70 (I): N 120.500 120.500 120.892 -0.392 RESID 70 (I): C 174.500 174.500 174.517 -0.017 RESID 70 (I): CA 60.060 60.060 60.622 -0.562 RESID 70 (I): CB 41.190 41.190 40.926 0.264 RESID 70 (I): H 9.402 9.402 8.130 1.272 RESID 71 (M): N 128.300 128.300 129.274 -0.974 RESID 71 (M): C 172.500 172.500 173.723 -1.223 RESID 71 (M): CA 53.040 53.040 55.050 -2.010 RESID 71 (M): CB 33.940 33.940 34.215 -0.275 RESID 71 (M): H 8.431 8.431 8.216 0.215 RESID 72 (S): N 122.700 122.700 120.151 2.549 RESID 72 (S): C 172.800 172.800 174.744 -1.944 RESID 72 (S): CA 57.630 57.630 56.526 1.104 RESID 72 (S): CB 64.590 64.590 65.157 -0.567 RESID 72 (S): H 8.717 8.717 8.564 0.153 RESID 73 (S): N 120.600 120.600 115.548 5.052 RESID 73 (S): C 174.900 174.900 174.842 0.058 RESID 73 (S): CA 58.590 58.590 59.649 -1.059 RESID 73 (S): CB 62.920 62.920 62.808 0.112 RESID 73 (S): H 8.570 8.570 8.663 -0.093 RESID 74 (L): N 120.700 120.700 124.419 -3.719 RESID 74 (L): C 175.300 175.300 175.844 -0.544 RESID 74 (L): CA 54.320 54.320 55.634 -1.314 RESID 74 (L): CB 42.350 42.350 42.885 -0.535 RESID 74 (L): H 8.678 8.678 7.345 1.333 RESID 75 (S): N 122.000 122.000 119.781 2.219 RESID 75 (S): C 174.500 174.500 173.705 0.795 RESID 75 (S): CA 59.250 59.250 57.018 2.232 RESID 75 (S): CB 63.060 63.060 64.671 -1.611 RESID 75 (S): H 8.142 8.142 7.876 0.266 RESID 76 (I): N 125.200 125.200 115.879 9.321 RESID 76 (I): C 175.500 175.500 174.569 0.931 RESID 76 (I): CA 61.340 61.340 59.569 1.771 RESID 76 (I): CB 35.790 35.790 39.638 -3.848 RESID 76 (I): H 8.307 8.307 8.297 0.010 RESID 77 (T): N 116.600 116.600 113.470 3.130 RESID 77 (T): C 174.800 174.800 175.087 -0.287 RESID 77 (T): CA 57.760 57.760 59.967 -2.207 RESID 77 (T): CB 71.570 71.570 72.312 -0.742 RESID 77 (T): H 6.513 6.513 7.525 -1.012 RESID 78 (E): N 124.500 124.500 124.935 -0.435 RESID 78 (E): C 179.500 179.500 177.884 1.616 RESID 78 (E): CA 59.140 59.140 60.880 -1.740 RESID 78 (E): CB 28.630 28.630 29.263 -0.633 RESID 78 (E): H 8.935 8.935 8.924 0.011 RESID 79 (K): N 118.400 118.400 118.340 0.060 RESID 79 (K): C 180.600 180.600 179.062 1.538 RESID 79 (K): CA 58.890 58.890 59.200 -0.311 RESID 79 (K): CB 31.610 31.610 32.301 -0.691 RESID 79 (K): H 8.415 8.415 8.371 0.044 RESID 80 (R): N 118.500 118.500 118.829 -0.329 RESID 80 (R): C 179.100 179.100 178.960 0.140 RESID 80 (R): CA 59.580 59.580 59.226 0.354 RESID 80 (R): CB 30.380 30.380 30.097 0.283 RESID 80 (R): H 7.678 7.678 7.407 0.271 RESID 81 (Q): N 119.000 119.000 119.812 -0.812 RESID 81 (Q): C 176.600 176.600 178.740 -2.140 RESID 81 (Q): CA 57.510 57.510 59.074 -1.564 RESID 81 (Q): CB 28.880 28.880 28.582 0.298 RESID 81 (Q): H 8.418 8.418 8.308 0.110 RESID 82 (Q): N 115.300 115.300 117.469 -2.169 RESID 82 (Q): C 177.400 177.400 177.940 -0.540 RESID 82 (Q): CA 57.280 57.280 58.372 -1.092 RESID 82 (Q): CB 27.950 27.950 28.506 -0.556 RESID 82 (Q): H 7.297 7.297 7.942 -0.645 RESID 83 (E): N 115.600 115.600 117.708 -2.108 RESID 83 (E): C 176.400 176.400 177.309 -0.909 RESID 83 (E): CA 56.950 56.950 58.344 -1.394 RESID 83 (E): CB 33.090 33.090 31.201 1.889 RESID 83 (E): H 7.627 7.627 7.925 -0.298 RESID 84 (I): N 115.100 115.100 111.863 3.237 RESID 84 (I): C 172.600 172.600 173.923 -1.323 RESID 84 (I): CA 59.380 59.380 58.918 0.462 RESID 84 (I): CB 40.830 40.830 41.503 -0.673 RESID 84 (I): H 8.275 8.275 8.000 0.275 RESID 85 (A): N 120.600 120.600 120.380 0.220 RESID 85 (A): C 175.000 175.000 175.208 -0.208 RESID 85 (A): CA 49.150 49.150 50.233 -1.083 RESID 85 (A): CB 22.280 22.280 21.515 0.765 RESID 85 (A): H 8.679 8.679 8.461 0.218 RESID 86 (F): N 115.500 115.500 118.918 -3.418 RESID 86 (F): C 178.800 178.800 175.870 2.930 RESID 86 (F): CA 55.850 55.850 56.767 -0.917 RESID 86 (F): CB 44.300 44.300 44.030 0.270 RESID 86 (F): H 8.283 8.283 8.613 -0.330 RESID 87 (T): N 108.200 108.200 114.792 -6.592 RESID 87 (T): C 174.700 174.700 173.814 0.886 RESID 87 (T): CA 61.930 61.930 61.016 0.914 RESID 87 (T): CB 72.740 72.740 70.146 2.594 RESID 87 (T): H 7.898 7.898 8.320 -0.422 RESID 88 (D): N 118.400 118.400 120.592 -2.192 RESID 88 (D): C 174.300 174.300 175.720 -1.420 RESID 88 (D): CA 55.030 55.030 55.842 -0.812 RESID 88 (D): CB 40.870 40.870 39.847 1.023 RESID 88 (D): H 8.789 8.789 8.835 -0.046 RESID 89 (K): N 118.100 118.100 116.729 1.371 RESID 89 (K): C 176.200 176.200 176.837 -0.637 RESID 89 (K): CA 55.570 55.570 57.239 -1.669 RESID 89 (K): CB 31.850 31.850 31.515 0.335 RESID 89 (K): H 7.666 7.666 7.727 -0.061 RESID 90 (L): N 123.400 123.400 125.929 -2.529 RESID 90 (L): C 178.000 178.000 177.850 0.150 RESID 90 (L): CA 54.450 54.450 57.144 -2.694 RESID 90 (L): CB 41.710 41.710 43.051 -1.341 RESID 90 (L): H 8.778 8.778 8.584 0.194 RESID 91 (Y): N 110.500 110.500 110.091 0.409 RESID 91 (Y): C 172.600 172.600 173.654 -1.054 RESID 91 (Y): CA 56.070 56.070 55.696 0.374 RESID 91 (Y): CB 37.670 37.670 40.556 -2.886 RESID 91 (Y): H 6.810 6.810 7.258 -0.448 RESID 92 (A): N 123.100 123.100 122.459 0.641 RESID 92 (A): C 175.600 175.600 176.687 -1.087 RESID 92 (A): CA 51.940 51.940 51.028 0.912 RESID 92 (A): CB 20.320 20.320 19.573 0.747 RESID 92 (A): H 8.135 8.135 9.071 -0.936 RESID 93 (A): N 127.000 127.000 127.767 -0.767 RESID 93 (A): C 175.700 175.700 176.635 -0.935 RESID 93 (A): CA 51.020 51.020 50.611 0.409 RESID 93 (A): CB 18.310 18.310 18.347 -0.037 RESID 93 (A): H 8.658 8.658 8.232 0.426 RESID 94 (D): N 122.900 122.900 121.598 1.302 RESID 94 (D): C 175.300 175.300 176.135 -0.835 RESID 94 (D): CA 53.910 53.910 55.174 -1.264 RESID 94 (D): CB 42.030 42.030 42.226 -0.196 RESID 94 (D): H 8.497 8.497 7.743 0.754 RESID 95 (S): N 110.300 110.300 112.120 -1.820 RESID 95 (S): C 171.600 171.600 173.068 -1.468 RESID 95 (S): CA 57.850 57.850 57.396 0.454 RESID 95 (S): CB 66.410 66.410 66.509 -0.099 RESID 95 (S): H 6.844 6.844 7.880 -1.036 RESID 96 (R): N 124.300 124.300 119.772 4.528 RESID 96 (R): C 173.700 173.700 173.846 -0.146 RESID 96 (R): CA 57.450 57.450 55.900 1.550 RESID 96 (R): CB 34.070 34.070 34.367 -0.297 RESID 96 (R): H 9.227 9.227 8.846 0.381 RESID 97 (L): N 124.100 124.100 125.037 -0.937 RESID 97 (L): C 177.600 177.600 175.926 1.674 RESID 97 (L): CA 54.150 54.150 53.835 0.315 RESID 97 (L): CB 42.640 42.640 44.409 -1.769 RESID 97 (L): H 9.343 9.343 8.072 1.271 RESID 98 (V): N 124.500 124.500 123.622 0.878 RESID 98 (V): C 175.700 175.700 174.950 0.750 RESID 98 (V): CA 61.770 61.770 60.934 0.836 RESID 98 (V): CB 32.950 32.950 32.630 0.320 RESID 98 (V): H 9.500 9.500 8.023 1.477 RESID 99 (V): N 116.800 116.800 122.172 -5.372 RESID 99 (V): C 174.600 174.600 173.986 0.614 RESID 99 (V): CA 58.190 58.190 58.977 -0.787 RESID 99 (V): CB 36.780 36.780 35.930 0.850 RESID 99 (V): H 9.192 9.192 8.184 1.008 RESID 100 (A): N 123.400 123.400 122.345 1.055 RESID 100 (A): C 179.200 179.200 178.546 0.654 RESID 100 (A): CA 52.690 52.690 50.571 2.119 RESID 100 (A): CB 18.160 18.160 19.959 -1.799 RESID 100 (A): H 9.043 9.043 8.365 0.678 RESID 101 (K): N 119.600 119.600 123.641 -4.041 RESID 101 (K): C 176.800 176.800 177.009 -0.209 RESID 101 (K): CA 59.360 59.360 58.973 0.387 RESID 101 (K): CB 31.380 31.380 31.854 -0.474 RESID 101 (K): H 7.840 7.840 8.905 -1.065 RESID 102 (N): N 114.400 114.400 115.565 -1.165 RESID 102 (N): C 175.500 175.500 175.249 0.251 RESID 102 (N): CA 52.330 52.330 54.638 -2.308 RESID 102 (N): CB 36.990 36.990 38.616 -1.626 RESID 102 (N): H 7.941 7.941 8.172 -0.231 RESID 103 (S): N 114.800 114.800 114.662 0.138 RESID 103 (S): C 176.000 176.000 173.264 2.736 RESID 103 (S): CA 58.180 58.180 57.483 0.698 RESID 103 (S): CB 64.310 64.310 63.914 0.396 RESID 103 (S): H 7.700 7.700 7.632 0.068 RESID 104 (D): N 128.500 128.500 129.316 -0.816 RESID 104 (D): C 176.700 176.700 174.985 1.715 RESID 104 (D): CA 52.990 52.990 53.960 -0.970 RESID 104 (D): CB 40.330 40.330 40.931 -0.601 RESID 104 (D): H 8.548 8.548 8.549 -0.001 RESID 105 (I): N 122.800 122.800 124.009 -1.209 RESID 105 (I): C 173.800 173.800 174.511 -0.711 RESID 105 (I): CA 63.580 63.580 60.374 3.205 RESID 105 (I): CB 37.490 37.490 40.468 -2.978 RESID 105 (I): H 7.826 7.826 8.156 -0.330 RESID 106 (Q): N 124.600 124.600 125.196 -0.596 RESID 106 (Q): C 174.700 174.700 174.030 0.670 RESID 106 (Q): CA 51.380 51.380 52.042 -0.662 RESID 106 (Q): CB 31.050 31.050 29.032 2.018 RESID 106 (Q): H 8.174 8.174 8.358 -0.184 RESID 107 (P): C 175.300 175.300 175.780 -0.480 RESID 107 (P): CA 61.880 61.880 63.675 -1.794 RESID 107 (P): CB 26.860 26.860 30.751 -3.891 RESID 108 (T): N 114.600 114.600 117.675 -3.075 RESID 108 (T): C 174.000 174.000 174.399 -0.399 RESID 108 (T): CA 57.690 57.690 61.597 -3.907 RESID 108 (T): CB 71.020 71.020 72.091 -1.071 RESID 108 (T): H 8.531 8.531 7.740 0.791 RESID 109 (V): N 121.800 121.800 123.605 -1.805 RESID 109 (V): C 177.300 177.300 176.929 0.371 RESID 109 (V): CA 65.600 65.600 64.769 0.831 RESID 109 (V): CB 30.580 30.580 32.769 -2.189 RESID 109 (V): H 8.775 8.775 8.494 0.281 RESID 110 (E): N 116.900 116.900 120.815 -3.915 RESID 110 (E): C 178.400 178.400 178.654 -0.254 RESID 110 (E): CA 59.260 59.260 60.135 -0.875 RESID 110 (E): CB 28.170 28.170 29.048 -0.878 RESID 110 (E): H 8.414 8.414 8.382 0.032 RESID 111 (S): N 113.200 113.200 113.483 -0.283 RESID 111 (S): C 176.500 176.500 175.932 0.568 RESID 111 (S): CA 59.370 59.370 60.999 -1.629 RESID 111 (S): CB 63.730 63.730 62.514 1.216 RESID 111 (S): H 7.387 7.387 8.439 -1.052 RESID 112 (L): N 116.100 116.100 120.369 -4.269 RESID 112 (L): C 176.700 176.700 176.701 -0.001 RESID 112 (L): CA 54.580 54.580 55.372 -0.792 RESID 112 (L): CB 42.650 42.650 42.563 0.087 RESID 112 (L): H 7.676 7.676 7.322 0.354 RESID 113 (K): N 121.000 121.000 119.250 1.750 RESID 113 (K): C 178.200 178.200 177.496 0.704 RESID 113 (K): CA 58.850 58.850 58.235 0.615 RESID 113 (K): CB 30.850 30.850 32.238 -1.388 RESID 113 (K): H 7.445 7.445 7.769 -0.324 RESID 114 (G): N 113.900 113.900 112.973 0.927 RESID 114 (G): C 174.200 174.200 174.799 -0.599 RESID 114 (G): CA 45.240 45.240 45.360 -0.120 RESID 114 (G): H 8.454 8.454 8.354 0.100 RESID 115 (K): N 120.600 120.600 121.731 -1.131 RESID 115 (K): C 174.800 174.800 176.134 -1.334 RESID 115 (K): CA 53.710 53.710 54.768 -1.058 RESID 115 (K): CB 31.990 31.990 33.260 -1.270 RESID 115 (K): H 8.530 8.530 7.876 0.654 RESID 116 (R): N 119.300 119.300 120.857 -1.557 RESID 116 (R): C 176.000 176.000 175.435 0.565 RESID 116 (R): CA 54.720 54.720 55.742 -1.022 RESID 116 (R): CB 32.310 32.310 31.794 0.516 RESID 116 (R): H 9.455 9.455 8.465 0.990 RESID 117 (V): N 126.100 126.100 123.245 2.855 RESID 117 (V): C 175.300 175.300 174.940 0.360 RESID 117 (V): CA 60.090 60.090 60.230 -0.140 RESID 117 (V): CB 33.620 33.620 35.549 -1.929 RESID 117 (V): H 9.217 9.217 8.629 0.588 RESID 118 (G): N 114.000 114.000 113.688 0.312 RESID 118 (G): C 172.300 172.300 172.531 -0.231 RESID 118 (G): CA 45.010 45.010 43.646 1.364 RESID 118 (G): H 9.367 9.367 8.068 1.299 RESID 119 (V): N 116.400 116.400 122.520 -6.120 RESID 119 (V): C 174.100 174.100 174.029 0.071 RESID 119 (V): CA 58.270 58.270 60.446 -2.176 RESID 119 (V): CB 36.370 36.370 36.982 -0.612 RESID 119 (V): H 9.166 9.166 9.302 -0.136 RESID 120 (L): N 124.400 124.400 124.130 0.270 RESID 120 (L): C 176.900 176.900 175.661 1.239 RESID 120 (L): CA 53.690 53.690 53.977 -0.288 RESID 120 (L): CB 41.240 41.240 42.686 -1.446 RESID 120 (L): H 8.961 8.961 8.827 0.134 RESID 121 (Q): N 128.000 128.000 127.155 0.845 RESID 121 (Q): C 176.900 176.900 177.237 -0.337 RESID 121 (Q): CA 56.680 56.680 57.085 -0.405 RESID 121 (Q): CB 27.920 27.920 29.536 -1.616 RESID 121 (Q): H 9.305 9.305 8.993 0.312 RESID 122 (G): N 113.600 113.600 113.594 0.006 RESID 122 (G): C 175.100 175.100 173.561 1.539 RESID 122 (G): CA 45.240 45.240 45.472 -0.232 RESID 122 (G): H 9.383 9.383 8.737 0.646 RESID 123 (T): N 108.400 108.400 110.132 -1.732 RESID 123 (T): C 176.800 176.800 174.410 2.390 RESID 123 (T): CA 60.260 60.260 60.014 0.246 RESID 123 (T): CB 73.530 73.530 70.633 2.897 RESID 123 (T): H 7.220 7.220 7.743 -0.523 RESID 124 (T): N 113.900 113.900 112.551 1.349 RESID 124 (T): C 178.100 178.100 176.526 1.574 RESID 124 (T): CA 63.990 63.990 64.698 -0.708 RESID 124 (T): CB 67.740 67.740 68.717 -0.977 RESID 124 (T): H 8.934 8.934 8.657 0.277 RESID 125 (Q): N 120.600 120.600 122.405 -1.805 RESID 125 (Q): C 178.300 178.300 178.091 0.209 RESID 125 (Q): CA 61.670 61.670 59.756 1.914 RESID 125 (Q): CB 25.310 25.310 28.047 -2.737 RESID 125 (Q): H 7.521 7.521 8.270 -0.749 RESID 126 (E): N 121.900 121.900 119.777 2.123 RESID 126 (E): C 177.600 177.600 178.890 -1.290 RESID 126 (E): CA 59.630 59.630 59.845 -0.215 RESID 126 (E): CB 28.730 28.730 29.638 -0.908 RESID 126 (E): H 7.717 7.717 7.808 -0.091 RESID 127 (T): N 117.800 117.800 116.204 1.596 RESID 127 (T): C 176.200 176.200 176.381 -0.181 RESID 127 (T): CA 66.340 66.340 66.812 -0.472 RESID 127 (T): CB 67.590 67.590 68.721 -1.131 RESID 127 (T): H 8.175 8.175 7.616 0.559 RESID 128 (F): N 121.900 121.900 121.980 -0.080 RESID 128 (F): C 178.000 178.000 177.534 0.466 RESID 128 (F): CA 61.590 61.590 60.740 0.850 RESID 128 (F): CB 38.810 38.810 38.927 -0.117 RESID 128 (F): H 8.882 8.882 8.609 0.273 RESID 129 (G): N 107.000 107.000 107.123 -0.123 RESID 129 (G): C 176.100 176.100 176.482 -0.382 RESID 129 (G): CA 46.690 46.690 47.209 -0.519 RESID 129 (G): H 8.900 8.900 9.174 -0.274 RESID 130 (N): N 123.000 123.000 118.464 4.536 RESID 130 (N): C 176.200 176.200 175.836 0.364 RESID 130 (N): CA 55.400 55.400 55.344 0.056 RESID 130 (N): CB 37.570 37.570 38.196 -0.626 RESID 130 (N): H 8.915 8.915 8.579 0.336 RESID 131 (E): N 119.000 119.000 116.720 2.280 RESID 131 (E): C 177.900 177.900 177.095 0.805 RESID 131 (E): CA 57.940 57.940 56.704 1.236 RESID 131 (E): CB 29.350 29.350 30.762 -1.412 RESID 131 (E): H 7.907 7.907 7.482 0.425 RESID 132 (H): N 112.600 112.600 118.639 -6.039 RESID 132 (H): C 175.900 175.900 175.552 0.348 RESID 132 (H): CA 56.910 56.910 58.790 -1.880 RESID 132 (H): CB 30.510 30.510 29.811 0.699 RESID 132 (H): H 7.877 7.877 7.877 0.000 RESID 133 (W): N 119.300 119.300 117.441 1.859 RESID 133 (W): C 176.800 176.800 176.195 0.605 RESID 133 (W): CA 55.570 55.570 56.547 -0.977 RESID 133 (W): CB 30.400 30.400 29.736 0.664 RESID 133 (W): H 7.653 7.653 7.509 0.144 RESID 134 (A): N 125.400 125.400 124.648 0.752 RESID 134 (A): C 177.700 177.700 177.223 0.477 RESID 134 (A): CA 55.410 55.410 54.642 0.768 RESID 134 (A): CB 15.990 15.990 16.800 -0.810 RESID 134 (A): H 8.711 8.711 7.535 1.176 RESID 135 (P): C 177.200 177.200 177.395 -0.195 RESID 135 (P): CA 64.510 64.510 64.188 0.322 RESID 135 (P): CB 30.800 30.800 30.986 -0.186 RESID 136 (K): N 115.800 115.800 116.250 -0.450 RESID 136 (K): C 176.500 176.500 177.629 -1.129 RESID 136 (K): CA 53.530 53.530 55.927 -2.397 RESID 136 (K): CB 31.430 31.430 32.078 -0.648 RESID 136 (K): H 7.665 7.665 8.129 -0.464 RESID 137 (G): N 106.100 106.100 108.366 -2.266 RESID 137 (G): C 174.300 174.300 173.540 0.760 RESID 137 (G): CA 45.740 45.740 45.372 0.368 RESID 137 (G): H 7.864 7.864 7.665 0.199 RESID 138 (I): N 124.400 124.400 119.392 5.008 RESID 138 (I): C 174.400 174.400 174.788 -0.388 RESID 138 (I): CA 60.460 60.460 60.117 0.343 RESID 138 (I): CB 38.080 38.080 39.816 -1.736 RESID 138 (I): H 6.889 6.889 7.481 -0.592 RESID 139 (E): N 128.400 128.400 127.267 1.133 RESID 139 (E): C 173.900 173.900 175.096 -1.196 RESID 139 (E): CA 56.050 56.050 55.609 0.441 RESID 139 (E): CB 29.490 29.490 31.217 -1.727 RESID 139 (E): H 8.230 8.230 8.341 -0.111 RESID 140 (I): N 129.500 129.500 121.644 7.856 RESID 140 (I): C 176.100 176.100 174.751 1.349 RESID 140 (I): CA 57.100 57.100 59.019 -1.919 RESID 140 (I): CB 34.440 34.440 40.614 -6.174 RESID 140 (I): H 8.642 8.642 8.354 0.288 RESID 141 (V): N 133.000 133.000 125.194 7.806 RESID 141 (V): C 174.400 174.400 174.496 -0.096 RESID 141 (V): CA 61.060 61.060 61.154 -0.094 RESID 141 (V): CB 32.410 32.410 36.194 -3.784 RESID 141 (V): H 9.387 9.387 9.009 0.378 RESID 142 (S): N 122.900 122.900 120.122 2.778 RESID 142 (S): C 175.000 175.000 173.535 1.465 RESID 142 (S): CA 57.710 57.710 57.372 0.338 RESID 142 (S): CB 63.710 63.710 63.775 -0.065 RESID 142 (S): H 8.490 8.490 8.392 0.098 RESID 143 (Y): N 123.400 123.400 126.094 -2.694 RESID 143 (Y): C 175.900 175.900 176.392 -0.492 RESID 143 (Y): CA 57.300 57.300 57.705 -0.405 RESID 143 (Y): CB 42.300 42.300 41.312 0.988 RESID 143 (Y): H 8.979 8.979 9.283 -0.304 RESID 144 (Q): N 119.500 119.500 120.037 -0.537 RESID 144 (Q): C 176.000 176.000 174.906 1.094 RESID 144 (Q): CA 56.490 56.490 55.905 0.585 RESID 144 (Q): CB 28.470 28.470 29.856 -1.386 RESID 144 (Q): H 8.974 8.974 8.742 0.232 RESID 145 (G): N 106.800 106.800 107.310 -0.510 RESID 145 (G): C 173.500 173.500 174.159 -0.659 RESID 145 (G): CA 44.300 44.300 44.314 -0.014 RESID 145 (G): H 7.531 7.531 7.857 -0.326 RESID 146 (Q): N 124.300 124.300 122.851 1.449 RESID 146 (Q): C 177.200 177.200 177.347 -0.147 RESID 146 (Q): CA 57.800 57.800 58.813 -1.013 RESID 146 (Q): CB 28.190 28.190 28.634 -0.444 RESID 146 (Q): H 8.949 8.949 8.861 0.088 RESID 147 (D): N 117.900 117.900 118.408 -0.508 RESID 147 (D): C 178.900 178.900 178.470 0.430 RESID 147 (D): CA 56.650 56.650 56.839 -0.189 RESID 147 (D): CB 38.890 38.890 39.743 -0.853 RESID 147 (D): H 8.746 8.746 8.782 -0.036 RESID 148 (N): N 117.500 117.500 117.819 -0.319 RESID 148 (N): C 176.700 176.700 177.352 -0.652 RESID 148 (N): CA 55.160 55.160 55.619 -0.459 RESID 148 (N): CB 38.700 38.700 38.104 0.596 RESID 148 (N): H 7.496 7.496 8.562 -1.066 RESID 149 (I): N 120.000 120.000 119.891 0.109 RESID 149 (I): C 177.400 177.400 177.521 -0.121 RESID 149 (I): CA 64.450 64.450 65.026 -0.576 RESID 149 (I): CB 35.900 35.900 37.570 -1.670 RESID 149 (I): H 6.793 6.793 7.171 -0.378 RESID 150 (Y): N 117.400 117.400 118.179 -0.779 RESID 150 (Y): C 178.800 178.800 178.053 0.747 RESID 150 (Y): CA 59.730 59.730 61.628 -1.898 RESID 150 (Y): CB 35.970 35.970 37.649 -1.679 RESID 150 (Y): H 6.897 6.897 7.380 -0.483 RESID 151 (S): N 117.000 117.000 114.943 2.057 RESID 151 (S): C 177.000 177.000 177.031 -0.031 RESID 151 (S): CA 61.300 61.300 61.693 -0.393 RESID 151 (S): CB 62.100 62.100 62.223 -0.123 RESID 151 (S): H 8.186 8.186 8.260 -0.074 RESID 152 (D): N 122.300 122.300 123.164 -0.864 RESID 152 (D): C 179.000 179.000 178.305 0.695 RESID 152 (D): CA 56.580 56.580 56.834 -0.254 RESID 152 (D): CB 38.240 38.240 40.392 -2.152 RESID 152 (D): H 7.541 7.541 7.699 -0.158 RESID 153 (L): N 124.100 124.100 121.251 2.849 RESID 153 (L): C 180.300 180.300 178.500 1.800 RESID 153 (L): CA 58.160 58.160 57.542 0.618 RESID 153 (L): CB 41.630 41.630 41.818 -0.188 RESID 153 (L): H 8.372 8.372 7.772 0.600 RESID 154 (T): N 111.900 111.900 113.307 -1.407 RESID 154 (T): C 176.700 176.700 175.346 1.354 RESID 154 (T): CA 63.920 63.920 65.406 -1.486 RESID 154 (T): CB 68.700 68.700 68.996 -0.296 RESID 154 (T): H 8.389 8.389 8.303 0.086 RESID 155 (A): N 121.800 121.800 120.124 1.676 RESID 155 (A): C 178.200 178.200 178.044 0.156 RESID 155 (A): CA 51.640 51.640 52.324 -0.684 RESID 155 (A): CB 18.990 18.990 19.460 -0.470 RESID 155 (A): H 7.444 7.444 7.076 0.368 RESID 156 (G): N 107.800 107.800 107.147 0.653 RESID 156 (G): C 175.100 175.100 175.361 -0.261 RESID 156 (G): CA 45.420 45.420 45.184 0.236 RESID 156 (G): H 7.921 7.921 7.963 -0.042 RESID 157 (R): N 119.000 119.000 119.193 -0.193 RESID 157 (R): C 176.600 176.600 175.724 0.876 RESID 157 (R): CA 57.260 57.260 57.581 -0.321 RESID 157 (R): CB 30.400 30.400 30.773 -0.372 RESID 157 (R): H 8.443 8.443 8.110 0.333 RESID 158 (I): N 108.900 108.900 112.988 -4.088 RESID 158 (I): C 173.700 173.700 174.307 -0.607 RESID 158 (I): CA 59.900 59.900 59.227 0.673 RESID 158 (I): CB 40.070 40.070 40.986 -0.916 RESID 158 (I): H 7.109 7.109 7.127 -0.018 RESID 159 (D): N 119.100 119.100 123.974 -4.874 RESID 159 (D): C 174.700 174.700 175.647 -0.947 RESID 159 (D): CA 55.900 55.900 56.340 -0.440 RESID 159 (D): CB 43.630 43.630 41.701 1.929 RESID 159 (D): H 8.737 8.737 8.487 0.250 RESID 160 (A): N 116.400 116.400 116.428 -0.028 RESID 160 (A): C 174.900 174.900 174.323 0.577 RESID 160 (A): CA 50.190 50.190 51.485 -1.295 RESID 160 (A): CB 23.030 23.030 21.357 1.673 RESID 160 (A): H 7.702 7.702 7.163 0.539 RESID 161 (A): N 123.400 123.400 121.784 1.616 RESID 161 (A): C 175.500 175.500 175.675 -0.175 RESID 161 (A): CA 49.730 49.730 50.291 -0.561 RESID 161 (A): CB 21.110 21.110 21.592 -0.482 RESID 161 (A): H 8.915 8.915 7.987 0.928 RESID 162 (F): N 125.100 125.100 122.584 2.516 RESID 162 (F): C 172.900 172.900 175.028 -2.128 RESID 162 (F): CA 54.500 54.500 58.214 -3.714 RESID 162 (F): CB 39.400 39.400 38.807 0.593 RESID 162 (F): H 8.971 8.971 8.501 0.470 RESID 163 (Q): N 124.600 124.600 123.385 1.215 RESID 163 (Q): C 173.400 173.400 173.712 -0.312 RESID 163 (Q): CA 53.550 53.550 53.645 -0.095 RESID 163 (Q): CB 34.390 34.390 33.137 1.253 RESID 163 (Q): H 7.904 7.904 8.294 -0.390 RESID 164 (D): N 122.300 122.300 121.240 1.060 RESID 164 (D): C 175.800 175.800 177.274 -1.474 RESID 164 (D): CA 55.540 55.540 54.493 1.047 RESID 164 (D): CB 42.370 42.370 42.068 0.302 RESID 164 (D): H 8.304 8.304 8.453 -0.149 RESID 165 (E): N 128.600 128.600 122.743 5.857 RESID 165 (E): C 177.700 177.700 178.146 -0.446 RESID 165 (E): CA 60.230 60.230 60.147 0.083 RESID 165 (E): CB 30.020 30.020 29.853 0.167 RESID 165 (E): H 8.605 8.605 8.783 -0.178 RESID 166 (V): N 120.100 120.100 118.897 1.203 RESID 166 (V): C 178.300 178.300 177.320 0.980 RESID 166 (V): CA 66.800 66.800 66.732 0.068 RESID 166 (V): CB 30.070 30.070 30.321 -0.251 RESID 166 (V): H 8.748 8.748 8.244 0.504 RESID 167 (A): N 123.200 123.200 120.042 3.158 RESID 167 (A): C 182.500 182.500 179.091 3.409 RESID 167 (A): CA 54.980 54.980 54.728 0.252 RESID 167 (A): CB 17.910 17.910 18.054 -0.144 RESID 167 (A): H 8.655 8.655 7.965 0.690 RESID 168 (A): N 121.300 121.300 122.158 -0.858 RESID 168 (A): C 179.800 179.800 179.727 0.073 RESID 168 (A): CA 54.180 54.180 54.539 -0.359 RESID 168 (A): CB 18.750 18.750 18.440 0.310 RESID 168 (A): H 8.349 8.349 7.899 0.450 RESID 169 (S): N 113.400 113.400 114.433 -1.033 RESID 169 (S): C 175.700 175.700 176.164 -0.464 RESID 169 (S): CA 61.050 61.050 62.563 -1.513 RESID 169 (S): CB 63.050 63.050 62.655 0.395 RESID 169 (S): H 8.058 8.058 8.155 -0.097 RESID 170 (E): N 115.600 115.600 120.419 -4.819 RESID 170 (E): C 178.800 178.800 177.424 1.376 RESID 170 (E): CA 57.610 57.610 58.103 -0.493 RESID 170 (E): CB 29.790 29.790 29.041 0.749 RESID 170 (E): H 8.824 8.824 7.840 0.984 RESID 171 (G): N 103.400 103.400 104.961 -1.561 RESID 171 (G): C 173.700 173.700 175.009 -1.309 RESID 171 (G): CA 44.970 44.970 45.273 -0.303 RESID 171 (G): H 8.154 8.154 7.326 0.828 RESID 172 (F): N 120.100 120.100 122.518 -2.418 RESID 172 (F): C 175.200 175.200 177.698 -2.498 RESID 172 (F): CA 60.690 60.690 61.140 -0.450 RESID 172 (F): CB 40.740 40.740 39.082 1.658 RESID 172 (F): H 7.297 7.297 8.342 -1.045 RESID 173 (L): N 117.800 117.800 117.787 0.013 RESID 173 (L): C 179.000 179.000 178.294 0.706 RESID 173 (L): CA 57.670 57.670 56.864 0.806 RESID 173 (L): CB 40.020 40.020 41.838 -1.818 RESID 173 (L): H 8.470 8.470 7.517 0.953 RESID 174 (K): N 114.600 114.600 116.398 -1.798 RESID 174 (K): C 176.900 176.900 176.409 0.491 RESID 174 (K): CA 56.450 56.450 57.289 -0.840 RESID 174 (K): CB 31.770 31.770 32.636 -0.866 RESID 174 (K): H 8.018 8.018 7.584 0.434 RESID 175 (Q): N 118.800 118.800 116.834 1.966 RESID 175 (Q): C 176.000 176.000 173.996 2.004 RESID 175 (Q): CA 52.510 52.510 52.258 0.252 RESID 175 (Q): CB 26.740 26.740 29.828 -3.088 RESID 175 (Q): H 7.151 7.151 7.273 -0.122 RESID 176 (P): C 179.300 179.300 177.716 1.584 RESID 176 (P): CA 66.100 66.100 65.382 0.718 RESID 176 (P): CB 30.720 30.720 31.707 -0.987 RESID 177 (V): N 112.300 112.300 117.248 -4.948 RESID 177 (V): C 175.900 175.900 177.755 -1.855 RESID 177 (V): CA 62.860 62.860 65.849 -2.989 RESID 177 (V): CB 30.660 30.660 30.989 -0.329 RESID 177 (V): H 7.480 7.480 7.755 -0.275 RESID 178 (G): N 109.700 109.700 105.437 4.263 RESID 178 (G): C 175.000 175.000 174.885 0.115 RESID 178 (G): CA 44.080 44.080 46.071 -1.991 RESID 178 (G): H 7.173 7.173 7.604 -0.431 RESID 179 (K): N 120.900 120.900 119.137 1.763 RESID 179 (K): C 177.100 177.100 177.659 -0.559 RESID 179 (K): CA 58.360 58.360 58.449 -0.089 RESID 179 (K): CB 31.260 31.260 32.303 -1.043 RESID 179 (K): H 6.972 6.972 7.265 -0.293 RESID 180 (D): N 117.200 117.200 117.131 0.069 RESID 180 (D): C 173.900 173.900 175.832 -1.932 RESID 180 (D): CA 53.920 53.920 55.870 -1.950 RESID 180 (D): CB 39.690 39.690 41.276 -1.586 RESID 180 (D): H 8.036 8.036 7.546 0.490 RESID 181 (Y): N 120.500 120.500 114.952 5.548 RESID 181 (Y): C 172.300 172.300 173.464 -1.164 RESID 181 (Y): CA 57.890 57.890 57.706 0.184 RESID 181 (Y): CB 41.860 41.860 42.289 -0.429 RESID 181 (Y): H 7.768 7.768 7.401 0.367 RESID 182 (K): N 116.900 116.900 118.651 -1.751 RESID 182 (K): C 174.900 174.900 174.278 0.622 RESID 182 (K): CA 54.330 54.330 56.450 -2.120 RESID 182 (K): CB 35.610 35.610 33.353 2.257 RESID 182 (K): H 9.497 9.497 8.834 0.663 RESID 183 (F): N 117.900 117.900 121.091 -3.191 RESID 183 (F): C 177.800 177.800 175.117 2.683 RESID 183 (F): CA 56.780 56.780 57.909 -1.129 RESID 183 (F): CB 38.320 38.320 43.006 -4.686 RESID 183 (F): H 8.470 8.470 8.114 0.356 RESID 184 (G): N 113.700 113.700 108.983 4.717 RESID 184 (G): C 173.300 173.300 174.863 -1.563 RESID 184 (G): CA 46.900 46.900 44.910 1.990 RESID 184 (G): H 9.107 9.107 8.822 0.285 RESID 185 (G): N 111.000 111.000 108.825 2.175 RESID 185 (G): C 171.100 171.100 172.854 -1.754 RESID 185 (G): CA 44.530 44.530 45.447 -0.917 RESID 185 (G): H 7.702 7.702 8.253 -0.551 RESID 186 (P): C 175.500 175.500 176.196 -0.696 RESID 186 (P): CA 61.920 61.920 64.460 -2.540 RESID 186 (P): CB 32.640 32.640 31.865 0.775 RESID 187 (S): N 113.500 113.500 120.147 -6.647 RESID 187 (S): C 173.500 173.500 173.794 -0.294 RESID 187 (S): CA 57.930 57.930 57.494 0.436 RESID 187 (S): CB 63.260 63.260 65.642 -2.382 RESID 187 (S): H 8.452 8.452 8.321 0.131 RESID 188 (V): N 123.300 123.300 121.706 1.594 RESID 188 (V): C 173.900 173.900 173.614 0.286 RESID 188 (V): CA 61.800 61.800 62.335 -0.535 RESID 188 (V): CB 32.680 32.680 34.671 -1.991 RESID 188 (V): H 9.080 9.080 7.836 1.244 RESID 189 (K): N 125.200 125.200 122.371 2.829 RESID 189 (K): C 176.700 176.700 174.073 2.627 RESID 189 (K): CA 54.680 54.680 56.179 -1.499 RESID 189 (K): CB 33.780 33.780 34.714 -0.934 RESID 189 (K): H 8.123 8.123 8.137 -0.014 RESID 190 (D): N 120.300 120.300 122.018 -1.718 RESID 190 (D): C 175.300 175.300 176.885 -1.585 RESID 190 (D): CA 55.610 55.610 53.395 2.215 RESID 190 (D): CB 42.620 42.620 40.402 2.218 RESID 190 (D): H 8.823 8.823 8.277 0.546 RESID 191 (E): N 129.100 129.100 126.614 2.486 RESID 191 (E): C 177.300 177.300 177.546 -0.246 RESID 191 (E): CA 59.310 59.310 58.472 0.838 RESID 191 (E): CB 28.420 28.420 29.514 -1.094 RESID 191 (E): H 9.239 9.239 8.843 0.396 RESID 192 (K): N 118.000 118.000 119.273 -1.273 RESID 192 (K): C 178.200 178.200 178.111 0.089 RESID 192 (K): CA 58.140 58.140 58.928 -0.788 RESID 192 (K): CB 31.690 31.690 32.150 -0.460 RESID 192 (K): H 7.918 7.918 8.759 -0.841 RESID 193 (L): N 118.200 118.200 118.070 0.130 RESID 193 (L): C 177.700 177.700 177.713 -0.013 RESID 193 (L): CA 55.790 55.790 56.995 -1.205 RESID 193 (L): CB 42.330 42.330 42.069 0.261 RESID 193 (L): H 8.362 8.362 7.138 1.224 RESID 194 (F): N 116.800 116.800 113.472 3.328 RESID 194 (F): C 178.200 178.200 175.828 2.372 RESID 194 (F): CA 54.620 54.620 57.305 -2.685 RESID 194 (F): CB 37.390 37.390 39.705 -2.315 RESID 194 (F): H 8.036 8.036 7.305 0.731 RESID 195 (G): N 106.900 106.900 108.842 -1.942 RESID 195 (G): C 174.200 174.200 173.892 0.308 RESID 195 (G): CA 44.120 44.120 45.009 -0.889 RESID 195 (G): H 7.510 7.510 7.682 -0.172 RESID 196 (V): N 112.400 112.400 123.542 -11.142 RESID 196 (V): C 175.300 175.300 176.000 -0.700 RESID 196 (V): CA 60.720 60.720 64.263 -3.543 RESID 196 (V): CB 30.630 30.630 32.175 -1.545 RESID 196 (V): H 8.064 8.064 8.298 -0.234 RESID 197 (G): N 108.100 108.100 105.298 2.802 RESID 197 (G): C 172.300 172.300 172.006 0.294 RESID 197 (G): CA 43.210 43.210 45.245 -2.035 RESID 197 (G): H 7.788 7.788 7.237 0.551 RESID 198 (T): N 109.200 109.200 113.756 -4.556 RESID 198 (T): C 172.800 172.800 173.229 -0.429 RESID 198 (T): CA 59.090 59.090 59.367 -0.278 RESID 198 (T): CB 71.080 71.080 71.293 -0.213 RESID 198 (T): H 7.796 7.796 7.951 -0.155 RESID 199 (G): N 103.900 103.900 108.607 -4.707 RESID 199 (G): C 171.800 171.800 172.591 -0.791 RESID 199 (G): CA 43.840 43.840 45.339 -1.499 RESID 199 (G): H 7.928 7.928 7.844 0.084 RESID 200 (M): N 121.400 121.400 119.865 1.535 RESID 200 (M): C 176.200 176.200 175.980 0.220 RESID 200 (M): CA 55.260 55.260 55.265 -0.005 RESID 200 (M): CB 33.390 33.390 34.969 -1.579 RESID 200 (M): H 7.971 7.971 8.502 -0.531 RESID 201 (G): N 112.200 112.200 110.707 1.493 RESID 201 (G): C 172.000 172.000 172.793 -0.793 RESID 201 (G): CA 44.540 44.540 44.421 0.119 RESID 201 (G): H 8.818 8.818 8.323 0.495 RESID 202 (L): N 124.700 124.700 124.780 -0.080 RESID 202 (L): C 176.000 176.000 175.869 0.131 RESID 202 (L): CA 53.740 53.740 52.827 0.913 RESID 202 (L): CB 46.010 46.010 46.137 -0.127 RESID 202 (L): H 8.767 8.767 8.608 0.159 RESID 203 (R): N 121.600 121.600 120.170 1.430 RESID 203 (R): C 180.400 180.400 177.904 2.496 RESID 203 (R): CA 57.130 57.130 55.472 1.658 RESID 203 (R): CB 29.650 29.650 31.315 -1.665 RESID 203 (R): H 10.270 10.270 8.257 2.013 RESID 204 (K): N 123.200 123.200 124.655 -1.455 RESID 204 (K): C 178.200 178.200 177.549 0.651 RESID 204 (K): CA 59.570 59.570 59.731 -0.161 RESID 204 (K): CB 31.840 31.840 32.070 -0.230 RESID 204 (K): H 9.231 9.231 8.663 0.568 RESID 205 (E): N 113.800 113.800 117.207 -3.407 RESID 205 (E): C 177.700 177.700 177.935 -0.235 RESID 205 (E): CA 57.230 57.230 58.282 -1.052 RESID 205 (E): CB 27.770 27.770 28.922 -1.152 RESID 205 (E): H 9.026 9.026 8.223 0.802 RESID 206 (D): N 126.000 126.000 120.598 5.402 RESID 206 (D): C 177.300 177.300 176.533 0.767 RESID 206 (D): CA 53.710 53.710 53.669 0.041 RESID 206 (D): CB 37.530 37.530 38.640 -1.110 RESID 206 (D): H 7.253 7.253 8.029 -0.776 RESID 207 (N): N 120.100 120.100 120.301 -0.201 RESID 207 (N): C 176.900 176.900 176.975 -0.075 RESID 207 (N): CA 56.950 56.950 56.329 0.621 RESID 207 (N): CB 38.820 38.820 38.983 -0.163 RESID 207 (N): H 7.839 7.839 8.719 -0.880 RESID 208 (E): N 120.500 120.500 118.593 1.907 RESID 208 (E): C 179.900 179.900 178.285 1.615 RESID 208 (E): CA 59.870 59.870 58.917 0.953 RESID 208 (E): CB 27.630 27.630 29.482 -1.852 RESID 208 (E): H 8.776 8.776 8.405 0.371 RESID 209 (L): N 122.900 122.900 120.512 2.388 RESID 209 (L): C 177.100 177.100 178.233 -1.133 RESID 209 (L): CA 57.400 57.400 57.375 0.025 RESID 209 (L): CB 40.660 40.660 41.816 -1.156 RESID 209 (L): H 8.366 8.366 7.789 0.577 RESID 210 (R): N 119.100 119.100 118.784 0.316 RESID 210 (R): C 177.400 177.400 178.184 -0.784 RESID 210 (R): CA 59.970 59.970 59.769 0.201 RESID 210 (R): CB 30.110 30.110 30.023 0.087 RESID 210 (R): H 7.582 7.582 8.344 -0.762 RESID 211 (E): N 116.200 116.200 119.232 -3.032 RESID 211 (E): C 179.800 179.800 178.533 1.267 RESID 211 (E): CA 59.150 59.150 59.261 -0.112 RESID 211 (E): CB 28.600 28.600 29.576 -0.977 RESID 211 (E): H 8.407 8.407 7.886 0.521 RESID 212 (A): N 123.500 123.500 122.684 0.816 RESID 212 (A): C 181.300 181.300 179.636 1.664 RESID 212 (A): CA 54.810 54.810 54.703 0.107 RESID 212 (A): CB 17.170 17.170 18.147 -0.977 RESID 212 (A): H 8.128 8.128 7.576 0.552 RESID 213 (L): N 121.200 121.200 119.725 1.475 RESID 213 (L): C 178.400 178.400 179.646 -1.246 RESID 213 (L): CA 57.710 57.710 58.152 -0.442 RESID 213 (L): CB 41.450 41.450 41.122 0.328 RESID 213 (L): H 8.364 8.364 8.077 0.287 RESID 214 (N): N 119.200 119.200 116.376 2.824 RESID 214 (N): C 179.700 179.700 177.843 1.857 RESID 214 (N): CA 55.260 55.260 55.873 -0.613 RESID 214 (N): CB 37.120 37.120 37.937 -0.817 RESID 214 (N): H 8.435 8.435 8.397 0.038 RESID 215 (K): N 123.800 123.800 121.357 2.443 RESID 215 (K): C 178.400 178.400 178.517 -0.117 RESID 215 (K): CA 59.090 59.090 59.388 -0.298 RESID 215 (K): CB 31.740 31.740 32.483 -0.743 RESID 215 (K): H 8.080 8.080 8.429 -0.349 RESID 216 (A): N 122.200 122.200 121.766 0.434 RESID 216 (A): C 179.500 179.500 179.522 -0.022 RESID 216 (A): CA 54.140 54.140 54.878 -0.738 RESID 216 (A): CB 18.700 18.700 18.277 0.423 RESID 216 (A): H 7.935 7.935 8.334 -0.399 RESID 217 (F): N 119.500 119.500 120.139 -0.639 RESID 217 (F): C 177.200 177.200 176.977 0.223 RESID 217 (F): CA 61.390 61.390 60.199 1.192 RESID 217 (F): CB 38.000 38.000 39.051 -1.051 RESID 217 (F): H 8.916 8.916 8.307 0.609 RESID 218 (A): N 121.300 121.300 121.221 0.079 RESID 218 (A): C 182.100 182.100 179.660 2.440 RESID 218 (A): CA 54.810 54.810 55.215 -0.405 RESID 218 (A): CB 16.650 16.650 17.983 -1.333 RESID 218 (A): H 7.956 7.956 8.167 -0.211 RESID 219 (E): N 120.000 120.000 119.047 0.953 RESID 219 (E): C 178.600 178.600 179.016 -0.416 RESID 219 (E): CA 59.040 59.040 59.340 -0.300 RESID 219 (E): CB 28.320 28.320 29.483 -1.163 RESID 219 (E): H 7.952 7.952 7.856 0.096 RESID 220 (M): N 120.900 120.900 118.230 2.670 RESID 220 (M): C 179.000 179.000 178.661 0.339 RESID 220 (M): CA 57.430 57.430 59.412 -1.982 RESID 220 (M): CB 32.620 32.620 32.510 0.110 RESID 220 (M): H 8.190 8.190 8.089 0.101 RESID 221 (R): N 119.200 119.200 118.394 0.806 RESID 221 (R): C 179.300 179.300 178.984 0.316 RESID 221 (R): CA 58.710 58.710 59.108 -0.398 RESID 221 (R): CB 27.480 27.480 29.875 -2.395 RESID 221 (R): H 7.762 7.762 7.502 0.260 RESID 222 (A): N 122.500 122.500 121.998 0.502 RESID 222 (A): C 179.300 179.300 178.956 0.344 RESID 222 (A): CA 54.180 54.180 54.578 -0.398 RESID 222 (A): CB 18.030 18.030 18.612 -0.582 RESID 222 (A): H 7.838 7.838 7.787 0.051 RESID 223 (D): N 115.100 115.100 114.742 0.358 RESID 223 (D): C 177.900 177.900 177.237 0.663 RESID 223 (D): CA 53.020 53.020 53.172 -0.152 RESID 223 (D): CB 39.570 39.570 40.281 -0.711 RESID 223 (D): H 8.091 8.091 8.052 0.039 RESID 224 (G): N 106.700 106.700 108.322 -1.622 RESID 224 (G): C 176.000 176.000 176.055 -0.055 RESID 224 (G): CA 45.070 45.070 46.322 -1.252 RESID 224 (G): H 7.199 7.199 7.451 -0.252 RESID 225 (T): N 122.400 122.400 117.111 5.289 RESID 225 (T): C 175.700 175.700 175.284 0.416 RESID 225 (T): CA 67.610 67.610 68.059 -0.449 RESID 225 (T): CB 66.840 66.840 68.790 -1.950 RESID 225 (T): H 9.095 9.095 9.320 -0.225 RESID 226 (Y): N 121.500 121.500 121.711 -0.211 RESID 226 (Y): C 176.000 176.000 176.907 -0.907 RESID 226 (Y): CA 62.530 62.530 62.343 0.187 RESID 226 (Y): CB 38.410 38.410 38.337 0.073 RESID 226 (Y): H 8.040 8.040 7.648 0.392 RESID 227 (E): N 118.200 118.200 118.685 -0.485 RESID 227 (E): C 178.200 178.200 178.691 -0.491 RESID 227 (E): CA 58.940 58.940 59.472 -0.533 RESID 227 (E): CB 28.810 28.810 29.122 -0.312 RESID 227 (E): H 8.153 8.153 8.598 -0.445 RESID 228 (K): N 119.100 119.100 120.388 -1.288 RESID 228 (K): C 179.500 179.500 179.062 0.438 RESID 228 (K): CA 59.260 59.260 59.491 -0.231 RESID 228 (K): CB 31.520 31.520 32.418 -0.898 RESID 228 (K): H 7.558 7.558 8.369 -0.811 RESID 229 (L): N 119.100 119.100 119.381 -0.281 RESID 229 (L): C 179.300 179.300 178.797 0.503 RESID 229 (L): CA 56.970 56.970 57.697 -0.727 RESID 229 (L): CB 41.520 41.520 41.869 -0.349 RESID 229 (L): H 8.055 8.055 8.084 -0.029 RESID 230 (A): N 121.200 121.200 122.146 -0.946 RESID 230 (A): C 180.500 180.500 179.236 1.264 RESID 230 (A): CA 54.890 54.890 55.527 -0.637 RESID 230 (A): CB 17.570 17.570 17.716 -0.146 RESID 230 (A): H 8.901 8.901 8.326 0.575 RESID 231 (K): N 117.200 117.200 118.339 -1.139 RESID 231 (K): C 177.700 177.700 178.444 -0.744 RESID 231 (K): CA 57.370 57.370 58.899 -1.529 RESID 231 (K): CB 31.330 31.330 32.309 -0.978 RESID 231 (K): H 8.062 8.062 8.089 -0.027 RESID 232 (K): N 117.600 117.600 117.150 0.450 RESID 232 (K): C 176.800 176.800 179.154 -2.354 RESID 232 (K): CA 57.890 57.890 58.695 -0.805 RESID 232 (K): CB 31.150 31.150 32.634 -1.484 RESID 232 (K): H 7.053 7.053 7.412 -0.359 RESID 233 (Y): N 114.000 114.000 117.031 -3.031 RESID 233 (Y): C 175.100 175.100 175.762 -0.662 RESID 233 (Y): CA 58.110 58.110 61.179 -3.069 RESID 233 (Y): CB 39.360 39.360 38.829 0.531 RESID 233 (Y): H 7.013 7.013 7.905 -0.892 RESID 234 (F): N 116.400 116.400 113.508 2.892 RESID 234 (F): C 175.800 175.800 173.438 2.362 RESID 234 (F): CA 54.920 54.920 56.654 -1.734 RESID 234 (F): CB 41.260 41.260 42.786 -1.526 RESID 234 (F): H 8.038 8.038 8.161 -0.123 RESID 235 (D): N 123.000 123.000 120.817 2.183 RESID 235 (D): C 174.500 174.500 174.985 -0.485 RESID 235 (D): CA 52.680 52.680 53.297 -0.617 RESID 235 (D): CB 39.860 39.860 39.482 0.378 RESID 235 (D): H 8.879 8.879 8.616 0.263 RESID 236 (F): N 115.500 115.500 122.063 -6.563 RESID 236 (F): C 173.600 173.600 173.609 -0.009 RESID 236 (F): CA 53.950 53.950 56.200 -2.250 RESID 236 (F): CB 39.860 39.860 39.855 0.005 RESID 236 (F): H 6.793 6.793 7.446 -0.653 RESID 237 (D): N 119.700 119.700 121.878 -2.178 RESID 237 (D): C 175.800 175.800 177.116 -1.316 RESID 237 (D): CA 52.980 52.980 52.628 0.352 RESID 237 (D): CB 39.210 39.210 41.925 -2.715 RESID 237 (D): H 8.831 8.831 8.628 0.203 RESID 238 (V): N 129.900 129.900 122.611 7.289 RESID 238 (V): C 175.200 175.200 176.691 -1.491 RESID 238 (V): CA 61.840 61.840 65.088 -3.248 RESID 238 (V): CB 32.500 32.500 31.881 0.619 RESID 238 (V): H 7.376 7.376 8.349 -0.973 RESID 239 (Y): N 123.500 123.500 119.108 4.392 RESID 239 (Y): C 176.500 176.500 178.566 -2.066 RESID 239 (Y): CA 61.920 61.920 61.159 0.761 RESID 239 (Y): CB 38.010 38.010 37.735 0.275 RESID 239 (Y): H 8.314 8.314 7.815 0.499 RESID 240 (G): N 104.100 104.100 104.381 -0.281 RESID 240 (G): C 174.600 174.600 174.901 -0.301 RESID 240 (G): CA 45.930 45.930 45.327 0.603 RESID 240 (G): H 7.428 7.428 8.415 -0.987 N HA C CA CB H RESID 6 (P): ----- ----- -0.703 -0.617 -0.727 ----- RESID 7 (Q): -0.373 ----- -0.404 -0.667 -0.639 -0.300 RESID 8 (N): 1.841 ----- -0.296 -0.662 -1.282 -0.333 RESID 9 (I): -2.399 ----- -0.161 -0.712 0.086 -0.722 RESID 10 (R): -1.278 ----- 0.754 -1.791 -0.250 0.416 RESID 11 (I): 3.294 ----- 0.339 0.117 -4.012 0.280 RESID 12 (G): 0.518 ----- -1.265 0.262 ----- 0.792 RESID 13 (T): -0.940 ----- 8.572 -0.628 -1.863 0.622 RESID 14 (D): -0.692 ----- 2.774 -0.547 -1.794 -0.491 RESID 15 (P): ----- ----- -1.047 -1.389 -4.505 ----- RESID 16 (T): 5.513 ----- 0.805 -2.453 -1.115 0.455 RESID 17 (Y): 3.901 ----- -0.458 -1.903 0.282 0.900 RESID 18 (A): 2.423 ----- -0.450 -4.582 -0.181 0.019 RESID 19 (P): ----- ----- -4.300 -2.353 0.205 ----- RESID 20 (F): 7.769 ----- 1.593 2.703 -3.069 -0.122 RESID 21 (E): -2.713 ----- -0.832 -0.830 -5.374 -0.786 RESID 22 (S): 4.064 ----- -0.780 -1.267 -1.218 0.439 RESID 23 (K): -1.851 ----- 2.611 -1.669 -1.807 0.007 RESID 24 (N): 1.632 ----- 1.070 -1.295 -1.889 0.071 RESID 25 (S): ----- ----- -0.051 0.047 -0.172 ----- RESID 26 (Q): -0.205 ----- -0.592 -0.405 -0.454 -0.362 RESID 27 (G): 1.246 ----- -0.278 0.065 ----- 0.367 RESID 28 (E): 1.658 ----- 0.266 -1.310 -0.985 -0.290 RESID 29 (L): 2.483 ----- 0.504 0.436 -1.826 0.012 RESID 30 (V): -4.440 ----- 1.710 -1.764 0.133 0.990 RESID 31 (G): -0.722 ----- 0.873 -1.390 ----- 1.111 RESID 32 (F): -2.890 ----- 1.950 -0.319 -0.295 0.061 RESID 33 (D): -2.557 ----- 1.068 -0.353 -1.603 1.737 RESID 34 (I): -0.877 ----- 0.279 -3.802 -4.195 -1.189 RESID 35 (D): 0.641 ----- 1.615 -0.308 0.109 0.733 RESID 36 (L): -0.421 ----- 0.519 -0.082 0.661 1.293 RESID 37 (A): -1.651 ----- -0.910 -0.163 -1.067 0.752 RESID 38 (K): -2.881 ----- 0.935 0.513 -0.498 0.674 RESID 39 (E): 2.177 ----- -1.093 -0.900 -1.527 -0.098 RESID 40 (L): 1.117 ----- -0.139 0.224 -1.499 0.623 RESID 41 (C): -2.840 ----- -1.678 -0.401 21.407 -0.161 RESID 42 (K): -0.269 ----- 1.628 -0.647 -0.925 -0.585 RESID 43 (R): 1.393 ----- 0.025 0.288 -0.227 0.503 RESID 44 (I): -5.727 ----- -0.818 -2.158 -1.537 -0.702 RESID 45 (N): 3.068 ----- -0.341 -0.952 0.705 -0.275 RESID 46 (T): 7.170 ----- 0.307 -0.315 -1.304 -0.029 RESID 47 (Q): 3.576 ----- 0.818 -0.510 -1.933 -0.252 RESID 48 (C): -0.396 ----- -0.662 -4.643 17.864 0.207 RESID 49 (T): -2.053 ----- 0.145 -1.033 -0.045 -0.503 RESID 50 (F): -2.210 ----- -0.117 -0.054 0.500 0.335 RESID 51 (V): 2.437 ----- -0.042 -0.026 -1.619 0.220 RESID 52 (E): -2.177 ----- 1.652 -2.785 -1.023 -0.153 RESID 53 (N): 6.229 ----- -1.804 -0.194 5.623 0.685 RESID 54 (P): ----- ----- -0.149 -0.710 -1.429 ----- RESID 55 (L): 0.004 ----- 0.887 -1.079 0.080 0.308 RESID 56 (D): -3.610 ----- -0.828 -0.774 -0.542 0.124 RESID 57 (A): 0.463 ----- 1.038 -2.178 -0.468 -0.267 RESID 58 (L): 1.121 ----- -0.958 0.855 -1.756 -0.304 RESID 59 (I): 0.118 ----- 1.249 1.645 -0.708 1.386 RESID 60 (P): ----- ----- 0.882 -0.601 -1.280 ----- RESID 61 (S): -0.131 ----- -1.196 0.333 ----- -0.355 RESID 62 (L): 3.165 ----- 1.954 -0.349 0.009 0.182 RESID 63 (K): 1.861 ----- -0.253 0.235 -1.695 0.745 RESID 64 (A): 0.187 ----- -0.453 -0.229 -0.303 -0.294 RESID 65 (K): -1.810 ----- -0.455 -0.167 -2.156 0.058 RESID 66 (K): 2.879 ----- -0.549 -1.265 -0.842 0.592 RESID 67 (I): -5.157 ----- -1.409 -0.018 -0.532 -0.225 RESID 68 (D): -3.487 ----- -3.749 0.253 1.707 1.264 RESID 69 (A): -0.917 ----- 1.086 -1.049 -0.198 -0.117 RESID 70 (I): -0.392 ----- -0.017 -0.562 0.264 1.272 RESID 71 (M): -0.974 ----- -1.223 -2.010 -0.275 0.215 RESID 72 (S): 2.549 ----- -1.944 1.104 -0.567 0.153 RESID 73 (S): 5.052 ----- 0.058 -1.059 0.112 -0.093 RESID 74 (L): -3.719 ----- -0.544 -1.314 -0.535 1.333 RESID 75 (S): 2.219 ----- 0.795 2.232 -1.611 0.266 RESID 76 (I): 9.321 ----- 0.931 1.771 -3.848 0.010 RESID 77 (T): 3.130 ----- -0.287 -2.207 -0.742 -1.012 RESID 78 (E): -0.435 ----- 1.616 -1.740 -0.633 0.011 RESID 79 (K): 0.060 ----- 1.538 -0.311 -0.691 0.044 RESID 80 (R): -0.329 ----- 0.140 0.354 0.283 0.271 RESID 81 (Q): -0.812 ----- -2.140 -1.564 0.298 0.110 RESID 82 (Q): -2.169 ----- -0.540 -1.092 -0.556 -0.645 RESID 83 (E): -2.108 ----- -0.909 -1.394 1.889 -0.298 RESID 84 (I): 3.237 ----- -1.323 0.462 -0.673 0.275 RESID 85 (A): 0.220 ----- -0.208 -1.083 0.765 0.218 RESID 86 (F): -3.418 ----- 2.930 -0.917 0.270 -0.330 RESID 87 (T): -6.592 ----- 0.886 0.914 2.594 -0.422 RESID 88 (D): -2.192 ----- -1.420 -0.812 1.023 -0.046 RESID 89 (K): 1.371 ----- -0.637 -1.669 0.335 -0.061 RESID 90 (L): -2.529 ----- 0.150 -2.694 -1.341 0.194 RESID 91 (Y): 0.409 ----- -1.054 0.374 -2.886 -0.448 RESID 92 (A): 0.641 ----- -1.087 0.912 0.747 -0.936 RESID 93 (A): -0.767 ----- -0.935 0.409 -0.037 0.426 RESID 94 (D): 1.302 ----- -0.835 -1.264 -0.196 0.754 RESID 95 (S): -1.820 ----- -1.468 0.454 -0.099 -1.036 RESID 96 (R): 4.528 ----- -0.146 1.550 -0.297 0.381 RESID 97 (L): -0.937 ----- 1.674 0.315 -1.769 1.271 RESID 98 (V): 0.878 ----- 0.750 0.836 0.320 1.477 RESID 99 (V): -5.372 ----- 0.614 -0.787 0.850 1.008 RESID 100 (A): 1.055 ----- 0.654 2.119 -1.799 0.678 RESID 101 (K): -4.041 ----- -0.209 0.387 -0.474 -1.065 RESID 102 (N): -1.165 ----- 0.251 -2.308 -1.626 -0.231 RESID 103 (S): 0.138 ----- 2.736 0.698 0.396 0.068 RESID 104 (D): -0.816 ----- 1.715 -0.970 -0.601 -0.001 RESID 105 (I): -1.209 ----- -0.711 3.205 -2.978 -0.330 RESID 106 (Q): -0.596 ----- 0.670 -0.662 2.018 -0.184 RESID 107 (P): ----- ----- -0.480 -1.794 -3.891 ----- RESID 108 (T): -3.075 ----- -0.399 -3.907 -1.071 0.791 RESID 109 (V): -1.805 ----- 0.371 0.831 -2.189 0.281 RESID 110 (E): -3.915 ----- -0.254 -0.875 -0.878 0.032 RESID 111 (S): -0.283 ----- 0.568 -1.629 1.216 -1.052 RESID 112 (L): -4.269 ----- -0.001 -0.792 0.087 0.354 RESID 113 (K): 1.750 ----- 0.704 0.615 -1.388 -0.324 RESID 114 (G): 0.927 ----- -0.599 -0.120 ----- 0.100 RESID 115 (K): -1.131 ----- -1.334 -1.058 -1.270 0.654 RESID 116 (R): -1.557 ----- 0.565 -1.022 0.516 0.990 RESID 117 (V): 2.855 ----- 0.360 -0.140 -1.929 0.588 RESID 118 (G): 0.312 ----- -0.231 1.364 ----- 1.299 RESID 119 (V): -6.120 ----- 0.071 -2.176 -0.612 -0.136 RESID 120 (L): 0.270 ----- 1.239 -0.288 -1.446 0.134 RESID 121 (Q): 0.845 ----- -0.337 -0.405 -1.616 0.312 RESID 122 (G): 0.006 ----- 1.539 -0.232 ----- 0.646 RESID 123 (T): -1.732 ----- 2.390 0.246 2.897 -0.523 RESID 124 (T): 1.349 ----- 1.574 -0.708 -0.977 0.277 RESID 125 (Q): -1.805 ----- 0.209 1.914 -2.737 -0.749 RESID 126 (E): 2.123 ----- -1.290 -0.215 -0.908 -0.091 RESID 127 (T): 1.596 ----- -0.181 -0.472 -1.131 0.559 RESID 128 (F): -0.080 ----- 0.466 0.850 -0.117 0.273 RESID 129 (G): -0.123 ----- -0.382 -0.519 ----- -0.274 RESID 130 (N): 4.536 ----- 0.364 0.056 -0.626 0.336 RESID 131 (E): 2.280 ----- 0.805 1.236 -1.412 0.425 RESID 132 (H): -6.039 ----- 0.348 -1.880 0.699 0.000 RESID 133 (W): 1.859 ----- 0.605 -0.977 0.664 0.144 RESID 134 (A): 0.752 ----- 0.477 0.768 -0.810 1.176 RESID 135 (P): ----- ----- -0.195 0.322 -0.186 ----- RESID 136 (K): -0.450 ----- -1.129 -2.397 -0.648 -0.464 RESID 137 (G): -2.266 ----- 0.760 0.368 ----- 0.199 RESID 138 (I): 5.008 ----- -0.388 0.343 -1.736 -0.592 RESID 139 (E): 1.133 ----- -1.196 0.441 -1.727 -0.111 RESID 140 (I): 7.856 ----- 1.349 -1.919 -6.174 0.288 RESID 141 (V): 7.806 ----- -0.096 -0.094 -3.784 0.378 RESID 142 (S): 2.778 ----- 1.465 0.338 -0.065 0.098 RESID 143 (Y): -2.694 ----- -0.492 -0.405 0.988 -0.304 RESID 144 (Q): -0.537 ----- 1.094 0.585 -1.386 0.232 RESID 145 (G): -0.510 ----- -0.659 -0.014 ----- -0.326 RESID 146 (Q): 1.449 ----- -0.147 -1.013 -0.444 0.088 RESID 147 (D): -0.508 ----- 0.430 -0.189 -0.853 -0.036 RESID 148 (N): -0.319 ----- -0.652 -0.459 0.596 -1.066 RESID 149 (I): 0.109 ----- -0.121 -0.576 -1.670 -0.378 RESID 150 (Y): -0.779 ----- 0.747 -1.898 -1.679 -0.483 RESID 151 (S): 2.057 ----- -0.031 -0.393 -0.123 -0.074 RESID 152 (D): -0.864 ----- 0.695 -0.254 -2.152 -0.158 RESID 153 (L): 2.849 ----- 1.800 0.618 -0.188 0.600 RESID 154 (T): -1.407 ----- 1.354 -1.486 -0.296 0.086 RESID 155 (A): 1.676 ----- 0.156 -0.684 -0.470 0.368 RESID 156 (G): 0.653 ----- -0.261 0.236 ----- -0.042 RESID 157 (R): -0.193 ----- 0.876 -0.321 -0.372 0.333 RESID 158 (I): -4.088 ----- -0.607 0.673 -0.916 -0.018 RESID 159 (D): -4.874 ----- -0.947 -0.440 1.929 0.250 RESID 160 (A): -0.028 ----- 0.577 -1.295 1.673 0.539 RESID 161 (A): 1.616 ----- -0.175 -0.561 -0.482 0.928 RESID 162 (F): 2.516 ----- -2.128 -3.714 0.593 0.470 RESID 163 (Q): 1.215 ----- -0.312 -0.095 1.253 -0.390 RESID 164 (D): 1.060 ----- -1.474 1.047 0.302 -0.149 RESID 165 (E): 5.857 ----- -0.446 0.083 0.167 -0.178 RESID 166 (V): 1.203 ----- 0.980 0.068 -0.251 0.504 RESID 167 (A): 3.158 ----- 3.409 0.252 -0.144 0.690 RESID 168 (A): -0.858 ----- 0.073 -0.359 0.310 0.450 RESID 169 (S): -1.033 ----- -0.464 -1.513 0.395 -0.097 RESID 170 (E): -4.819 ----- 1.376 -0.493 0.749 0.984 RESID 171 (G): -1.561 ----- -1.309 -0.303 ----- 0.828 RESID 172 (F): -2.418 ----- -2.498 -0.450 1.658 -1.045 RESID 173 (L): 0.013 ----- 0.706 0.806 -1.818 0.953 RESID 174 (K): -1.798 ----- 0.491 -0.840 -0.866 0.434 RESID 175 (Q): 1.966 ----- 2.004 0.252 -3.088 -0.122 RESID 176 (P): ----- ----- 1.584 0.718 -0.987 ----- RESID 177 (V): -4.948 ----- -1.855 -2.989 -0.329 -0.275 RESID 178 (G): 4.263 ----- 0.115 -1.991 ----- -0.431 RESID 179 (K): 1.763 ----- -0.559 -0.089 -1.043 -0.293 RESID 180 (D): 0.069 ----- -1.932 -1.950 -1.586 0.490 RESID 181 (Y): 5.548 ----- -1.164 0.184 -0.429 0.367 RESID 182 (K): -1.751 ----- 0.622 -2.120 2.257 0.663 RESID 183 (F): -3.191 ----- 2.683 -1.129 -4.686 0.356 RESID 184 (G): 4.717 ----- -1.563 1.990 ----- 0.285 RESID 185 (G): 2.175 ----- -1.754 -0.917 ----- -0.551 RESID 186 (P): ----- ----- -0.696 -2.540 0.775 ----- RESID 187 (S): -6.647 ----- -0.294 0.436 -2.382 0.131 RESID 188 (V): 1.594 ----- 0.286 -0.535 -1.991 1.244 RESID 189 (K): 2.829 ----- 2.627 -1.499 -0.934 -0.014 RESID 190 (D): -1.718 ----- -1.585 2.215 2.218 0.546 RESID 191 (E): 2.486 ----- -0.246 0.838 -1.094 0.396 RESID 192 (K): -1.273 ----- 0.089 -0.788 -0.460 -0.841 RESID 193 (L): 0.130 ----- -0.013 -1.205 0.261 1.224 RESID 194 (F): 3.328 ----- 2.372 -2.685 -2.315 0.731 RESID 195 (G): -1.942 ----- 0.308 -0.889 ----- -0.172 RESID 196 (V): -11.142 ----- -0.700 -3.543 -1.545 -0.234 RESID 197 (G): 2.802 ----- 0.294 -2.035 ----- 0.551 RESID 198 (T): -4.556 ----- -0.429 -0.278 -0.213 -0.155 RESID 199 (G): -4.707 ----- -0.791 -1.499 ----- 0.084 RESID 200 (M): 1.535 ----- 0.220 -0.005 -1.579 -0.531 RESID 201 (G): 1.493 ----- -0.793 0.119 ----- 0.495 RESID 202 (L): -0.080 ----- 0.131 0.913 -0.127 0.159 RESID 203 (R): 1.430 ----- 2.496 1.658 -1.665 2.013 RESID 204 (K): -1.455 ----- 0.651 -0.161 -0.230 0.568 RESID 205 (E): -3.407 ----- -0.235 -1.052 -1.152 0.802 RESID 206 (D): 5.402 ----- 0.767 0.041 -1.110 -0.776 RESID 207 (N): -0.201 ----- -0.075 0.621 -0.163 -0.880 RESID 208 (E): 1.907 ----- 1.615 0.953 -1.852 0.371 RESID 209 (L): 2.388 ----- -1.133 0.025 -1.156 0.577 RESID 210 (R): 0.316 ----- -0.784 0.201 0.087 -0.762 RESID 211 (E): -3.032 ----- 1.267 -0.112 -0.977 0.521 RESID 212 (A): 0.816 ----- 1.664 0.107 -0.977 0.552 RESID 213 (L): 1.475 ----- -1.246 -0.442 0.328 0.287 RESID 214 (N): 2.824 ----- 1.857 -0.613 -0.817 0.038 RESID 215 (K): 2.443 ----- -0.117 -0.298 -0.743 -0.349 RESID 216 (A): 0.434 ----- -0.022 -0.738 0.423 -0.399 RESID 217 (F): -0.639 ----- 0.223 1.192 -1.051 0.609 RESID 218 (A): 0.079 ----- 2.440 -0.405 -1.333 -0.211 RESID 219 (E): 0.953 ----- -0.416 -0.300 -1.163 0.096 RESID 220 (M): 2.670 ----- 0.339 -1.982 0.110 0.101 RESID 221 (R): 0.806 ----- 0.316 -0.398 -2.395 0.260 RESID 222 (A): 0.502 ----- 0.344 -0.398 -0.582 0.051 RESID 223 (D): 0.358 ----- 0.663 -0.152 -0.711 0.039 RESID 224 (G): -1.622 ----- -0.055 -1.252 ----- -0.252 RESID 225 (T): 5.289 ----- 0.416 -0.449 -1.950 -0.225 RESID 226 (Y): -0.211 ----- -0.907 0.187 0.073 0.392 RESID 227 (E): -0.485 ----- -0.491 -0.533 -0.312 -0.445 RESID 228 (K): -1.288 ----- 0.438 -0.231 -0.898 -0.811 RESID 229 (L): -0.281 ----- 0.503 -0.727 -0.349 -0.029 RESID 230 (A): -0.946 ----- 1.264 -0.637 -0.146 0.575 RESID 231 (K): -1.139 ----- -0.744 -1.529 -0.978 -0.027 RESID 232 (K): 0.450 ----- -2.354 -0.805 -1.484 -0.359 RESID 233 (Y): -3.031 ----- -0.662 -3.069 0.531 -0.892 RESID 234 (F): 2.892 ----- 2.362 -1.734 -1.526 -0.123 RESID 235 (D): 2.183 ----- -0.485 -0.617 0.378 0.263 RESID 236 (F): -6.563 ----- -0.009 -2.250 0.005 -0.653 RESID 237 (D): -2.178 ----- -1.316 0.352 -2.715 0.203 RESID 238 (V): 7.289 ----- -1.491 -3.248 0.619 -0.973 RESID 239 (Y): 4.392 ----- -2.066 0.761 0.275 0.499 RESID 240 (G): -0.281 ----- -0.301 0.603 ----- -0.987 DATA CS_STAT_INFO N RMS: 2.941 ppm Count: 226 Average Difference: -0.145 +/- 2.944 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.294 ppm Count: 236 Average Difference: -0.104 +/- 1.292 ppm DATA CS_STAT_INFO CA RMS: 1.327 ppm Count: 236 Average Difference: 0.527 +/- 1.220 ppm DATA CS_STAT_INFO CB RMS: 2.455 ppm Count: 215 Average Difference: 0.508 +/- 2.408 ppm DATA CS_STAT_INFO HN RMS: 0.586 ppm Count: 226 Average Difference: -0.118 +/- 0.575 ppm ############################################################################ For conformer 15: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.221 0.079 RESID 5 (I): C 174.300 174.300 174.356 -0.056 RESID 5 (I): CA 57.710 57.710 59.789 -2.079 RESID 5 (I): CB 37.260 37.260 37.755 -0.495 RESID 5 (I): H 7.868 7.868 8.236 -0.368 RESID 6 (P): C 176.100 176.100 176.813 -0.713 RESID 6 (P): CA 62.180 62.180 62.803 -0.623 RESID 6 (P): CB 31.620 31.620 32.347 -0.727 RESID 7 (Q): N 119.200 119.200 119.569 -0.369 RESID 7 (Q): C 175.600 175.600 176.007 -0.407 RESID 7 (Q): CA 57.190 57.190 57.857 -0.667 RESID 7 (Q): CB 28.500 28.500 29.140 -0.640 RESID 7 (Q): H 8.380 8.380 8.681 -0.301 RESID 8 (N): N 116.300 116.300 114.437 1.863 RESID 8 (N): C 173.600 173.600 173.892 -0.292 RESID 8 (N): CA 51.720 51.720 52.385 -0.665 RESID 8 (N): CB 40.540 40.540 41.841 -1.301 RESID 8 (N): H 7.472 7.472 7.805 -0.333 RESID 9 (I): N 121.000 121.000 123.379 -2.379 RESID 9 (I): C 174.700 174.700 174.869 -0.169 RESID 9 (I): CA 59.480 59.480 60.194 -0.714 RESID 9 (I): CB 39.740 39.740 39.645 0.095 RESID 9 (I): H 8.416 8.416 9.146 -0.730 RESID 10 (R): N 126.500 126.500 127.788 -1.288 RESID 10 (R): C 175.800 175.800 175.052 0.748 RESID 10 (R): CA 53.950 53.950 55.733 -1.783 RESID 10 (R): CB 30.670 30.670 30.908 -0.238 RESID 10 (R): H 9.098 9.098 8.689 0.409 RESID 11 (I): N 127.500 127.500 124.234 3.266 RESID 11 (I): C 175.600 175.600 175.278 0.322 RESID 11 (I): CA 59.480 59.480 59.368 0.112 RESID 11 (I): CB 37.460 37.460 41.439 -3.979 RESID 11 (I): H 9.279 9.279 9.002 0.277 RESID 12 (G): N 114.800 114.800 114.311 0.489 RESID 12 (G): C 171.700 171.700 172.975 -1.275 RESID 12 (G): CA 44.540 44.540 44.283 0.257 RESID 12 (G): H 9.382 9.382 8.598 0.784 RESID 13 (T): N 120.600 120.600 121.580 -0.980 RESID 13 (T): C 181.600 181.600 173.040 8.560 RESID 13 (T): CA 61.470 61.470 62.077 -0.607 RESID 13 (T): CB 69.970 69.970 71.801 -1.831 RESID 13 (T): H 8.594 8.594 7.969 0.625 RESID 14 (D): N 127.000 127.000 127.736 -0.736 RESID 14 (D): C 177.500 177.500 174.755 2.745 RESID 14 (D): CA 49.760 49.760 50.312 -0.552 RESID 14 (D): CB 40.580 40.580 42.299 -1.719 RESID 14 (D): H 8.200 8.200 8.695 -0.495 RESID 15 (P): C 175.400 175.400 176.486 -1.086 RESID 15 (P): CA 61.920 61.920 63.340 -1.420 RESID 15 (P): CB 27.890 27.890 32.400 -4.510 RESID 16 (T): N 116.200 116.200 110.741 5.459 RESID 16 (T): C 174.000 174.000 173.272 0.728 RESID 16 (T): CA 59.560 59.560 62.041 -2.481 RESID 16 (T): CB 68.650 68.650 69.897 -1.247 RESID 16 (T): H 8.739 8.739 8.306 0.433 RESID 17 (Y): N 125.800 125.800 121.865 3.935 RESID 17 (Y): C 175.200 175.200 175.667 -0.467 RESID 17 (Y): CA 54.180 54.180 56.125 -1.945 RESID 17 (Y): CB 38.700 38.700 38.483 0.217 RESID 17 (Y): H 8.943 8.943 8.088 0.855 RESID 18 (A): N 132.100 132.100 129.658 2.442 RESID 18 (A): C 176.000 176.000 176.463 -0.463 RESID 18 (A): CA 51.490 51.490 56.056 -4.566 RESID 18 (A): CB 16.070 16.070 16.238 -0.168 RESID 18 (A): H 8.945 8.945 8.917 0.028 RESID 19 (P): C 173.500 173.500 177.641 -4.141 RESID 19 (P): CA 62.890 62.890 65.153 -2.263 RESID 19 (P): CB 31.790 31.790 31.609 0.181 RESID 20 (F): N 125.100 125.100 117.781 7.319 RESID 20 (F): C 176.700 176.700 174.922 1.778 RESID 20 (F): CA 62.420 62.420 59.717 2.703 RESID 20 (F): CB 37.980 37.980 41.116 -3.136 RESID 20 (F): H 8.117 8.117 8.261 -0.144 RESID 21 (E): N 111.800 111.800 114.515 -2.715 RESID 21 (E): C 173.600 173.600 174.431 -0.831 RESID 21 (E): CA 54.400 54.400 55.231 -0.831 RESID 21 (E): CB 28.770 28.770 34.147 -5.377 RESID 21 (E): H 7.701 7.701 8.491 -0.790 RESID 22 (S): N 117.200 117.200 113.144 4.056 RESID 22 (S): C 171.500 171.500 172.280 -0.780 RESID 22 (S): CA 57.290 57.290 58.559 -1.269 RESID 22 (S): CB 62.940 62.940 64.163 -1.223 RESID 22 (S): H 8.750 8.750 8.318 0.432 RESID 23 (K): N 117.400 117.400 119.254 -1.854 RESID 23 (K): C 177.600 177.600 174.995 2.605 RESID 23 (K): CA 53.700 53.700 55.373 -1.673 RESID 23 (K): CB 33.330 33.330 35.137 -1.807 RESID 23 (K): H 8.238 8.238 8.232 0.006 RESID 24 (N): N 122.400 122.400 120.807 1.593 RESID 24 (N): C 178.000 178.000 176.951 1.049 RESID 24 (N): CA 50.600 50.600 51.899 -1.299 RESID 24 (N): CB 38.140 38.140 40.002 -1.862 RESID 24 (N): H 8.584 8.584 8.513 0.071 RESID 25 (S): C 175.400 175.400 175.415 -0.015 RESID 25 (S): CA 60.970 60.970 60.962 0.008 RESID 25 (S): CB 62.410 62.410 62.601 -0.191 RESID 26 (Q): N 119.300 119.300 119.478 -0.178 RESID 26 (Q): C 176.200 176.200 176.768 -0.568 RESID 26 (Q): CA 55.180 55.180 55.584 -0.404 RESID 26 (Q): CB 28.260 28.260 28.733 -0.473 RESID 26 (Q): H 7.520 7.520 7.873 -0.353 RESID 27 (G): N 108.800 108.800 107.673 1.127 RESID 27 (G): C 173.700 173.700 174.067 -0.367 RESID 27 (G): CA 45.050 45.050 45.047 0.003 RESID 27 (G): H 8.169 8.169 7.912 0.257 RESID 28 (E): N 121.200 121.200 120.713 0.487 RESID 28 (E): C 175.800 175.800 175.605 0.195 RESID 28 (E): CA 54.490 54.490 55.885 -1.395 RESID 28 (E): CB 29.750 29.750 30.641 -0.891 RESID 28 (E): H 7.836 7.836 8.044 -0.208 RESID 29 (L): N 123.500 123.500 120.999 2.501 RESID 29 (L): C 176.400 176.400 175.905 0.495 RESID 29 (L): CA 54.310 54.310 53.732 0.578 RESID 29 (L): CB 41.180 41.180 42.750 -1.570 RESID 29 (L): H 8.281 8.281 8.332 -0.051 RESID 30 (V): N 118.200 118.200 122.321 -4.121 RESID 30 (V): C 175.300 175.300 173.649 1.651 RESID 30 (V): CA 58.360 58.360 60.145 -1.785 RESID 30 (V): CB 36.080 36.080 36.201 -0.121 RESID 30 (V): H 8.900 8.900 7.867 1.033 RESID 31 (G): N 109.800 109.800 109.813 -0.013 RESID 31 (G): C 174.400 174.400 173.532 0.868 RESID 31 (G): CA 43.830 43.830 45.162 -1.332 RESID 31 (G): H 8.611 8.611 7.435 1.176 RESID 32 (F): N 119.900 119.900 122.902 -3.002 RESID 32 (F): C 177.900 177.900 176.181 1.719 RESID 32 (F): CA 59.800 59.800 59.963 -0.163 RESID 32 (F): CB 38.950 38.950 39.323 -0.373 RESID 32 (F): H 8.295 8.295 8.265 0.030 RESID 33 (D): N 116.500 116.500 119.072 -2.572 RESID 33 (D): C 179.100 179.100 178.025 1.075 RESID 33 (D): CA 56.180 56.180 56.556 -0.376 RESID 33 (D): CB 38.610 38.610 40.208 -1.598 RESID 33 (D): H 8.935 8.935 7.200 1.735 RESID 34 (I): N 118.800 118.800 119.545 -0.745 RESID 34 (I): C 178.000 178.000 177.695 0.305 RESID 34 (I): CA 60.950 60.950 64.712 -3.762 RESID 34 (I): CB 33.620 33.620 37.798 -4.178 RESID 34 (I): H 6.535 6.535 7.734 -1.199 RESID 35 (D): N 121.000 121.000 120.410 0.590 RESID 35 (D): C 180.300 180.300 178.718 1.582 RESID 35 (D): CA 57.100 57.100 57.457 -0.357 RESID 35 (D): CB 40.420 40.420 40.348 0.072 RESID 35 (D): H 8.536 8.536 7.771 0.765 RESID 36 (L): N 120.500 120.500 120.953 -0.453 RESID 36 (L): C 178.500 178.500 177.987 0.513 RESID 36 (L): CA 57.720 57.720 57.802 -0.082 RESID 36 (L): CB 42.230 42.230 41.575 0.655 RESID 36 (L): H 8.508 8.508 7.220 1.288 RESID 37 (A): N 120.200 120.200 121.842 -1.642 RESID 37 (A): C 178.600 178.600 179.510 -0.910 RESID 37 (A): CA 55.170 55.170 55.330 -0.160 RESID 37 (A): CB 17.340 17.340 18.408 -1.068 RESID 37 (A): H 8.383 8.383 7.640 0.743 RESID 38 (K): N 116.400 116.400 119.278 -2.878 RESID 38 (K): C 180.100 180.100 179.164 0.936 RESID 38 (K): CA 60.530 60.530 60.024 0.506 RESID 38 (K): CB 31.840 31.840 32.334 -0.494 RESID 38 (K): H 8.780 8.780 8.120 0.660 RESID 39 (E): N 121.500 121.500 119.322 2.178 RESID 39 (E): C 178.300 178.300 179.391 -1.091 RESID 39 (E): CA 58.430 58.430 59.331 -0.901 RESID 39 (E): CB 27.990 27.990 29.515 -1.525 RESID 39 (E): H 7.692 7.692 7.798 -0.106 RESID 40 (L): N 121.500 121.500 120.362 1.138 RESID 40 (L): C 178.700 178.700 178.842 -0.142 RESID 40 (L): CA 58.490 58.490 58.265 0.225 RESID 40 (L): CB 40.250 40.250 41.752 -1.502 RESID 40 (L): H 8.563 8.563 7.938 0.625 RESID 41 (C): N 115.700 115.700 118.550 -2.850 RESID 41 (C): C 175.800 175.800 177.476 -1.676 RESID 41 (C): CA 62.390 62.390 62.793 -0.403 RESID 41 (C): CB 46.860 46.860 25.455 21.405 RESID 41 (C): H 8.598 8.598 8.762 -0.164 RESID 42 (K): N 119.300 119.300 119.592 -0.292 RESID 42 (K): C 180.800 180.800 179.172 1.628 RESID 42 (K): CA 58.810 58.810 59.458 -0.648 RESID 42 (K): CB 31.430 31.430 32.357 -0.927 RESID 42 (K): H 7.490 7.490 8.085 -0.595 RESID 43 (R): N 119.500 119.500 118.110 1.390 RESID 43 (R): C 178.700 178.700 178.677 0.023 RESID 43 (R): CA 58.760 58.760 58.488 0.272 RESID 43 (R): CB 29.980 29.980 30.205 -0.225 RESID 43 (R): H 8.057 8.057 7.561 0.496 RESID 44 (I): N 111.800 111.800 117.520 -5.720 RESID 44 (I): C 175.000 175.000 175.820 -0.820 RESID 44 (I): CA 60.940 60.940 63.092 -2.152 RESID 44 (I): CB 36.630 36.630 38.167 -1.537 RESID 44 (I): H 7.765 7.765 8.464 -0.699 RESID 45 (N): N 118.800 118.800 115.731 3.069 RESID 45 (N): C 173.600 173.600 173.942 -0.342 RESID 45 (N): CA 53.670 53.670 54.624 -0.954 RESID 45 (N): CB 36.620 36.620 35.912 0.708 RESID 45 (N): H 7.752 7.752 8.032 -0.280 RESID 46 (T): N 112.800 112.800 105.645 7.155 RESID 46 (T): C 173.100 173.100 172.802 0.298 RESID 46 (T): CA 60.020 60.020 60.326 -0.306 RESID 46 (T): CB 70.500 70.500 71.815 -1.315 RESID 46 (T): H 7.920 7.920 7.950 -0.030 RESID 47 (Q): N 123.500 123.500 119.940 3.560 RESID 47 (Q): C 175.400 175.400 174.582 0.818 RESID 47 (Q): CA 54.550 54.550 55.066 -0.516 RESID 47 (Q): CB 28.670 28.670 30.587 -1.917 RESID 47 (Q): H 8.037 8.037 8.304 -0.267 RESID 48 (C): N 123.800 123.800 124.216 -0.416 RESID 48 (C): C 173.800 173.800 174.465 -0.665 RESID 48 (C): CA 53.170 53.170 57.810 -4.640 RESID 48 (C): CB 47.290 47.290 29.428 17.862 RESID 48 (C): H 8.881 8.881 8.675 0.206 RESID 49 (T): N 118.600 118.600 120.644 -2.044 RESID 49 (T): C 172.700 172.700 172.560 0.140 RESID 49 (T): CA 60.210 60.210 61.243 -1.033 RESID 49 (T): CB 70.980 70.980 71.025 -0.045 RESID 49 (T): H 8.324 8.324 8.835 -0.511 RESID 50 (F): N 123.800 123.800 126.018 -2.218 RESID 50 (F): C 175.800 175.800 175.927 -0.127 RESID 50 (F): CA 57.370 57.370 57.429 -0.059 RESID 50 (F): CB 40.730 40.730 40.216 0.514 RESID 50 (F): H 8.982 8.982 8.641 0.341 RESID 51 (V): N 126.300 126.300 123.886 2.414 RESID 51 (V): C 174.700 174.700 174.743 -0.043 RESID 51 (V): CA 60.650 60.650 60.687 -0.037 RESID 51 (V): CB 33.700 33.700 35.308 -1.608 RESID 51 (V): H 9.271 9.271 9.060 0.211 RESID 52 (E): N 126.900 126.900 129.110 -2.210 RESID 52 (E): C 176.900 176.900 175.253 1.647 RESID 52 (E): CA 54.480 54.480 57.272 -2.792 RESID 52 (E): CB 29.350 29.350 30.376 -1.026 RESID 52 (E): H 8.617 8.617 8.773 -0.156 RESID 53 (N): N 127.100 127.100 120.877 6.223 RESID 53 (N): C 170.600 170.600 172.406 -1.806 RESID 53 (N): CA 51.220 51.220 51.421 -0.201 RESID 53 (N): CB 43.980 43.980 38.355 5.625 RESID 53 (N): H 8.917 8.917 8.234 0.683 RESID 54 (P): C 178.600 178.600 178.789 -0.189 RESID 54 (P): CA 61.650 61.650 62.347 -0.697 RESID 54 (P): CB 31.460 31.460 32.903 -1.442 RESID 55 (L): N 124.200 124.200 124.158 0.042 RESID 55 (L): C 179.600 179.600 178.714 0.886 RESID 55 (L): CA 58.130 58.130 59.222 -1.092 RESID 55 (L): CB 41.470 41.470 41.368 0.102 RESID 55 (L): H 9.096 9.096 8.809 0.287 RESID 56 (D): N 115.400 115.400 119.013 -3.613 RESID 56 (D): C 176.500 176.500 177.327 -0.827 RESID 56 (D): CA 56.080 56.080 56.855 -0.775 RESID 56 (D): CB 39.640 39.640 40.180 -0.540 RESID 56 (D): H 8.651 8.651 8.529 0.122 RESID 57 (A): N 120.400 120.400 119.928 0.472 RESID 57 (A): C 180.000 180.000 178.956 1.044 RESID 57 (A): CA 51.440 51.440 53.624 -2.184 RESID 57 (A): CB 19.170 19.170 19.640 -0.470 RESID 57 (A): H 8.079 8.079 8.344 -0.265 RESID 58 (L): N 122.300 122.300 121.161 1.139 RESID 58 (L): C 177.800 177.800 178.760 -0.960 RESID 58 (L): CA 58.960 58.960 58.093 0.867 RESID 58 (L): CB 40.150 40.150 41.907 -1.757 RESID 58 (L): H 7.783 7.783 8.060 -0.277 RESID 59 (I): N 119.600 119.600 119.504 0.096 RESID 59 (I): C 176.400 176.400 175.143 1.257 RESID 59 (I): CA 68.170 68.170 66.541 1.629 RESID 59 (I): CB 33.980 33.980 34.689 -0.709 RESID 59 (I): H 9.094 9.094 7.709 1.385 RESID 60 (P): C 180.100 180.100 179.234 0.866 RESID 60 (P): CA 65.890 65.890 66.483 -0.593 RESID 60 (P): CB 29.980 29.980 31.260 -1.280 RESID 61 (S): N 114.800 114.800 114.901 -0.101 RESID 61 (S): C 175.500 175.500 176.709 -1.209 RESID 61 (S): CA 62.170 62.170 61.743 0.427 RESID 61 (S): H 7.865 7.865 8.203 -0.338 RESID 62 (L): N 126.200 126.200 123.018 3.182 RESID 62 (L): C 181.000 181.000 179.063 1.937 RESID 62 (L): CA 57.400 57.400 57.751 -0.351 RESID 62 (L): CB 41.820 41.820 41.817 0.003 RESID 62 (L): H 8.296 8.296 8.107 0.189 RESID 63 (K): N 121.000 121.000 119.127 1.873 RESID 63 (K): C 178.000 178.000 178.243 -0.243 RESID 63 (K): CA 59.500 59.500 59.259 0.241 RESID 63 (K): CB 30.770 30.770 32.465 -1.696 RESID 63 (K): H 8.461 8.461 7.721 0.740 RESID 64 (A): N 118.700 118.700 118.525 0.175 RESID 64 (A): C 176.200 176.200 176.656 -0.456 RESID 64 (A): CA 51.680 51.680 51.913 -0.233 RESID 64 (A): CB 18.140 18.140 18.444 -0.304 RESID 64 (A): H 7.686 7.686 7.982 -0.296 RESID 65 (K): N 112.200 112.200 113.999 -1.799 RESID 65 (K): C 176.000 176.000 176.454 -0.454 RESID 65 (K): CA 57.800 57.800 57.969 -0.169 RESID 65 (K): CB 27.730 27.730 29.885 -2.155 RESID 65 (K): H 7.751 7.751 7.695 0.056 RESID 66 (K): N 118.300 118.300 115.427 2.873 RESID 66 (K): C 176.600 176.600 177.147 -0.547 RESID 66 (K): CA 57.200 57.200 58.459 -1.259 RESID 66 (K): CB 32.170 32.170 33.017 -0.847 RESID 66 (K): H 8.415 8.415 7.821 0.594 RESID 67 (I): N 107.500 107.500 112.660 -5.160 RESID 67 (I): C 174.000 174.000 175.406 -1.406 RESID 67 (I): CA 59.050 59.050 59.068 -0.018 RESID 67 (I): CB 40.470 40.470 41.003 -0.533 RESID 67 (I): H 7.034 7.034 7.261 -0.227 RESID 68 (D): N 119.000 119.000 122.474 -3.474 RESID 68 (D): C 172.200 172.200 175.949 -3.749 RESID 68 (D): CA 55.560 55.560 55.302 0.258 RESID 68 (D): CB 44.210 44.210 42.510 1.700 RESID 68 (D): H 9.739 9.739 8.487 1.252 RESID 69 (A): N 117.400 117.400 118.332 -0.932 RESID 69 (A): C 175.900 175.900 174.813 1.087 RESID 69 (A): CA 50.120 50.120 51.164 -1.044 RESID 69 (A): CB 21.960 21.960 22.168 -0.208 RESID 69 (A): H 7.660 7.660 7.781 -0.121 RESID 70 (I): N 120.500 120.500 120.921 -0.421 RESID 70 (I): C 174.500 174.500 174.510 -0.010 RESID 70 (I): CA 60.060 60.060 60.618 -0.558 RESID 70 (I): CB 41.190 41.190 40.926 0.264 RESID 70 (I): H 9.402 9.402 8.127 1.275 RESID 71 (M): N 128.300 128.300 128.996 -0.696 RESID 71 (M): C 172.500 172.500 173.931 -1.431 RESID 71 (M): CA 53.040 53.040 55.071 -2.031 RESID 71 (M): CB 33.940 33.940 34.142 -0.202 RESID 71 (M): H 8.431 8.431 8.257 0.174 RESID 72 (S): N 122.700 122.700 121.006 1.694 RESID 72 (S): C 172.800 172.800 174.676 -1.876 RESID 72 (S): CA 57.630 57.630 56.566 1.064 RESID 72 (S): CB 64.590 64.590 65.122 -0.532 RESID 72 (S): H 8.717 8.717 8.652 0.065 RESID 73 (S): N 120.600 120.600 115.542 5.058 RESID 73 (S): C 174.900 174.900 174.827 0.073 RESID 73 (S): CA 58.590 58.590 59.623 -1.033 RESID 73 (S): CB 62.920 62.920 62.789 0.131 RESID 73 (S): H 8.570 8.570 8.646 -0.076 RESID 74 (L): N 120.700 120.700 124.336 -3.636 RESID 74 (L): C 175.300 175.300 175.862 -0.562 RESID 74 (L): CA 54.320 54.320 55.724 -1.404 RESID 74 (L): CB 42.350 42.350 42.857 -0.507 RESID 74 (L): H 8.678 8.678 7.334 1.344 RESID 75 (S): N 122.000 122.000 119.808 2.192 RESID 75 (S): C 174.500 174.500 173.657 0.843 RESID 75 (S): CA 59.250 59.250 57.214 2.036 RESID 75 (S): CB 63.060 63.060 64.634 -1.574 RESID 75 (S): H 8.142 8.142 7.862 0.280 RESID 76 (I): N 125.200 125.200 115.806 9.394 RESID 76 (I): C 175.500 175.500 174.638 0.862 RESID 76 (I): CA 61.340 61.340 59.519 1.821 RESID 76 (I): CB 35.790 35.790 39.626 -3.836 RESID 76 (I): H 8.307 8.307 8.289 0.018 RESID 77 (T): N 116.600 116.600 113.501 3.099 RESID 77 (T): C 174.800 174.800 175.088 -0.288 RESID 77 (T): CA 57.760 57.760 59.958 -2.198 RESID 77 (T): CB 71.570 71.570 72.309 -0.739 RESID 77 (T): H 6.513 6.513 7.524 -1.011 RESID 78 (E): N 124.500 124.500 124.930 -0.430 RESID 78 (E): C 179.500 179.500 177.886 1.614 RESID 78 (E): CA 59.140 59.140 60.875 -1.735 RESID 78 (E): CB 28.630 28.630 29.260 -0.630 RESID 78 (E): H 8.935 8.935 8.925 0.010 RESID 79 (K): N 118.400 118.400 118.359 0.041 RESID 79 (K): C 180.600 180.600 179.063 1.537 RESID 79 (K): CA 58.890 58.890 59.199 -0.309 RESID 79 (K): CB 31.610 31.610 32.300 -0.690 RESID 79 (K): H 8.415 8.415 8.364 0.051 RESID 80 (R): N 118.500 118.500 118.820 -0.320 RESID 80 (R): C 179.100 179.100 178.960 0.140 RESID 80 (R): CA 59.580 59.580 59.222 0.358 RESID 80 (R): CB 30.380 30.380 30.097 0.283 RESID 80 (R): H 7.678 7.678 7.408 0.270 RESID 81 (Q): N 119.000 119.000 119.726 -0.726 RESID 81 (Q): C 176.600 176.600 178.642 -2.042 RESID 81 (Q): CA 57.510 57.510 58.978 -1.468 RESID 81 (Q): CB 28.880 28.880 28.596 0.284 RESID 81 (Q): H 8.418 8.418 8.279 0.139 RESID 82 (Q): N 115.300 115.300 117.310 -2.010 RESID 82 (Q): C 177.400 177.400 177.966 -0.566 RESID 82 (Q): CA 57.280 57.280 58.307 -1.027 RESID 82 (Q): CB 27.950 27.950 28.538 -0.588 RESID 82 (Q): H 7.297 7.297 7.908 -0.611 RESID 83 (E): N 115.600 115.600 117.706 -2.106 RESID 83 (E): C 176.400 176.400 177.314 -0.914 RESID 83 (E): CA 56.950 56.950 58.349 -1.399 RESID 83 (E): CB 33.090 33.090 31.191 1.899 RESID 83 (E): H 7.627 7.627 7.925 -0.298 RESID 84 (I): N 115.100 115.100 111.865 3.235 RESID 84 (I): C 172.600 172.600 173.925 -1.325 RESID 84 (I): CA 59.380 59.380 58.914 0.466 RESID 84 (I): CB 40.830 40.830 41.500 -0.670 RESID 84 (I): H 8.275 8.275 7.998 0.277 RESID 85 (A): N 120.600 120.600 120.380 0.220 RESID 85 (A): C 175.000 175.000 175.208 -0.208 RESID 85 (A): CA 49.150 49.150 50.237 -1.087 RESID 85 (A): CB 22.280 22.280 21.505 0.775 RESID 85 (A): H 8.679 8.679 8.452 0.227 RESID 86 (F): N 115.500 115.500 118.900 -3.400 RESID 86 (F): C 178.800 178.800 175.869 2.931 RESID 86 (F): CA 55.850 55.850 56.764 -0.914 RESID 86 (F): CB 44.300 44.300 44.033 0.267 RESID 86 (F): H 8.283 8.283 8.608 -0.325 RESID 87 (T): N 108.200 108.200 114.774 -6.574 RESID 87 (T): C 174.700 174.700 173.809 0.891 RESID 87 (T): CA 61.930 61.930 61.017 0.913 RESID 87 (T): CB 72.740 72.740 70.140 2.600 RESID 87 (T): H 7.898 7.898 8.315 -0.417 RESID 88 (D): N 118.400 118.400 120.055 -1.655 RESID 88 (D): C 174.300 174.300 174.949 -0.649 RESID 88 (D): CA 55.030 55.030 55.793 -0.763 RESID 88 (D): CB 40.870 40.870 39.772 1.098 RESID 88 (D): H 8.789 8.789 8.772 0.017 RESID 89 (K): N 118.100 118.100 116.147 1.953 RESID 89 (K): C 176.200 176.200 177.009 -0.809 RESID 89 (K): CA 55.570 55.570 57.214 -1.643 RESID 89 (K): CB 31.850 31.850 31.647 0.203 RESID 89 (K): H 7.666 7.666 7.624 0.042 RESID 90 (L): N 123.400 123.400 124.139 -0.739 RESID 90 (L): C 178.000 178.000 177.674 0.326 RESID 90 (L): CA 54.450 54.450 57.149 -2.699 RESID 90 (L): CB 41.710 41.710 43.077 -1.367 RESID 90 (L): H 8.778 8.778 8.527 0.251 RESID 91 (Y): N 110.500 110.500 111.311 -0.811 RESID 91 (Y): C 172.600 172.600 173.300 -0.700 RESID 91 (Y): CA 56.070 56.070 56.200 -0.130 RESID 91 (Y): CB 37.670 37.670 40.367 -2.697 RESID 91 (Y): H 6.810 6.810 7.247 -0.437 RESID 92 (A): N 123.100 123.100 122.415 0.685 RESID 92 (A): C 175.600 175.600 176.677 -1.077 RESID 92 (A): CA 51.940 51.940 51.010 0.930 RESID 92 (A): CB 20.320 20.320 19.587 0.733 RESID 92 (A): H 8.135 8.135 9.075 -0.940 RESID 93 (A): N 127.000 127.000 127.764 -0.764 RESID 93 (A): C 175.700 175.700 176.624 -0.924 RESID 93 (A): CA 51.020 51.020 50.599 0.421 RESID 93 (A): CB 18.310 18.310 18.363 -0.053 RESID 93 (A): H 8.658 8.658 8.238 0.420 RESID 94 (D): N 122.900 122.900 121.608 1.292 RESID 94 (D): C 175.300 175.300 176.130 -0.830 RESID 94 (D): CA 53.910 53.910 55.163 -1.254 RESID 94 (D): CB 42.030 42.030 42.239 -0.208 RESID 94 (D): H 8.497 8.497 7.746 0.751 RESID 95 (S): N 110.300 110.300 112.154 -1.854 RESID 95 (S): C 171.600 171.600 173.067 -1.467 RESID 95 (S): CA 57.850 57.850 57.405 0.445 RESID 95 (S): CB 66.410 66.410 66.502 -0.092 RESID 95 (S): H 6.844 6.844 7.880 -1.036 RESID 96 (R): N 124.300 124.300 119.779 4.521 RESID 96 (R): C 173.700 173.700 173.870 -0.170 RESID 96 (R): CA 57.450 57.450 55.904 1.546 RESID 96 (R): CB 34.070 34.070 34.351 -0.281 RESID 96 (R): H 9.227 9.227 8.835 0.392 RESID 97 (L): N 124.100 124.100 125.135 -1.035 RESID 97 (L): C 177.600 177.600 175.927 1.673 RESID 97 (L): CA 54.150 54.150 53.811 0.339 RESID 97 (L): CB 42.640 42.640 44.393 -1.753 RESID 97 (L): H 9.343 9.343 8.057 1.286 RESID 98 (V): N 124.500 124.500 123.644 0.856 RESID 98 (V): C 175.700 175.700 175.007 0.693 RESID 98 (V): CA 61.770 61.770 60.862 0.908 RESID 98 (V): CB 32.950 32.950 32.482 0.468 RESID 98 (V): H 9.500 9.500 8.040 1.460 RESID 99 (V): N 116.800 116.800 122.198 -5.398 RESID 99 (V): C 174.600 174.600 173.875 0.725 RESID 99 (V): CA 58.190 58.190 58.471 -0.281 RESID 99 (V): CB 36.780 36.780 35.532 1.248 RESID 99 (V): H 9.192 9.192 8.180 1.012 RESID 100 (A): N 123.400 123.400 122.596 0.804 RESID 100 (A): C 179.200 179.200 178.454 0.746 RESID 100 (A): CA 52.690 52.690 50.658 2.032 RESID 100 (A): CB 18.160 18.160 20.012 -1.853 RESID 100 (A): H 9.043 9.043 8.375 0.668 RESID 101 (K): N 119.600 119.600 123.611 -4.011 RESID 101 (K): C 176.800 176.800 177.037 -0.237 RESID 101 (K): CA 59.360 59.360 58.975 0.385 RESID 101 (K): CB 31.380 31.380 31.886 -0.506 RESID 101 (K): H 7.840 7.840 8.908 -1.068 RESID 102 (N): N 114.400 114.400 115.541 -1.141 RESID 102 (N): C 175.500 175.500 175.246 0.254 RESID 102 (N): CA 52.330 52.330 54.648 -2.318 RESID 102 (N): CB 36.990 36.990 38.607 -1.617 RESID 102 (N): H 7.941 7.941 8.198 -0.257 RESID 103 (S): N 114.800 114.800 114.678 0.122 RESID 103 (S): C 176.000 176.000 173.289 2.711 RESID 103 (S): CA 58.180 58.180 57.495 0.685 RESID 103 (S): CB 64.310 64.310 63.908 0.402 RESID 103 (S): H 7.700 7.700 7.593 0.107 RESID 104 (D): N 128.500 128.500 129.295 -0.795 RESID 104 (D): C 176.700 176.700 175.175 1.525 RESID 104 (D): CA 52.990 52.990 54.020 -1.030 RESID 104 (D): CB 40.330 40.330 40.878 -0.548 RESID 104 (D): H 8.548 8.548 8.542 0.006 RESID 105 (I): N 122.800 122.800 124.858 -2.058 RESID 105 (I): C 173.800 173.800 174.618 -0.818 RESID 105 (I): CA 63.580 63.580 60.546 3.034 RESID 105 (I): CB 37.490 37.490 40.537 -3.047 RESID 105 (I): H 7.826 7.826 8.197 -0.371 RESID 106 (Q): N 124.600 124.600 125.054 -0.454 RESID 106 (Q): C 174.700 174.700 173.827 0.873 RESID 106 (Q): CA 51.380 51.380 52.054 -0.674 RESID 106 (Q): CB 31.050 31.050 29.819 1.231 RESID 106 (Q): H 8.174 8.174 8.495 -0.321 RESID 107 (P): C 175.300 175.300 175.797 -0.497 RESID 107 (P): CA 61.880 61.880 63.661 -1.781 RESID 107 (P): CB 26.860 26.860 31.023 -4.163 RESID 108 (T): N 114.600 114.600 117.723 -3.123 RESID 108 (T): C 174.000 174.000 174.383 -0.383 RESID 108 (T): CA 57.690 57.690 61.629 -3.939 RESID 108 (T): CB 71.020 71.020 71.959 -0.939 RESID 108 (T): H 8.531 8.531 7.671 0.860 RESID 109 (V): N 121.800 121.800 123.206 -1.406 RESID 109 (V): C 177.300 177.300 176.938 0.362 RESID 109 (V): CA 65.600 65.600 64.744 0.856 RESID 109 (V): CB 30.580 30.580 32.769 -2.189 RESID 109 (V): H 8.775 8.775 8.484 0.291 RESID 110 (E): N 116.900 116.900 120.822 -3.922 RESID 110 (E): C 178.400 178.400 178.675 -0.275 RESID 110 (E): CA 59.260 59.260 60.121 -0.862 RESID 110 (E): CB 28.170 28.170 29.048 -0.878 RESID 110 (E): H 8.414 8.414 8.384 0.030 RESID 111 (S): N 113.200 113.200 113.413 -0.213 RESID 111 (S): C 176.500 176.500 175.919 0.581 RESID 111 (S): CA 59.370 59.370 60.988 -1.618 RESID 111 (S): CB 63.730 63.730 62.528 1.202 RESID 111 (S): H 7.387 7.387 8.444 -1.057 RESID 112 (L): N 116.100 116.100 120.421 -4.321 RESID 112 (L): C 176.700 176.700 176.697 0.003 RESID 112 (L): CA 54.580 54.580 55.362 -0.782 RESID 112 (L): CB 42.650 42.650 42.557 0.093 RESID 112 (L): H 7.676 7.676 7.330 0.346 RESID 113 (K): N 121.000 121.000 119.214 1.786 RESID 113 (K): C 178.200 178.200 177.498 0.702 RESID 113 (K): CA 58.850 58.850 58.244 0.606 RESID 113 (K): CB 30.850 30.850 32.249 -1.399 RESID 113 (K): H 7.445 7.445 7.749 -0.304 RESID 114 (G): N 113.900 113.900 112.933 0.967 RESID 114 (G): C 174.200 174.200 174.800 -0.600 RESID 114 (G): CA 45.240 45.240 45.329 -0.089 RESID 114 (G): H 8.454 8.454 8.350 0.104 RESID 115 (K): N 120.600 120.600 121.798 -1.198 RESID 115 (K): C 174.800 174.800 176.110 -1.310 RESID 115 (K): CA 53.710 53.710 54.790 -1.080 RESID 115 (K): CB 31.990 31.990 33.270 -1.280 RESID 115 (K): H 8.530 8.530 7.879 0.651 RESID 116 (R): N 119.300 119.300 120.763 -1.463 RESID 116 (R): C 176.000 176.000 175.438 0.562 RESID 116 (R): CA 54.720 54.720 55.692 -0.972 RESID 116 (R): CB 32.310 32.310 31.846 0.464 RESID 116 (R): H 9.455 9.455 8.447 1.008 RESID 117 (V): N 126.100 126.100 123.063 3.037 RESID 117 (V): C 175.300 175.300 174.936 0.364 RESID 117 (V): CA 60.090 60.090 60.225 -0.135 RESID 117 (V): CB 33.620 33.620 35.633 -2.013 RESID 117 (V): H 9.217 9.217 8.565 0.652 RESID 118 (G): N 114.000 114.000 113.627 0.373 RESID 118 (G): C 172.300 172.300 172.508 -0.208 RESID 118 (G): CA 45.010 45.010 43.597 1.413 RESID 118 (G): H 9.367 9.367 8.076 1.291 RESID 119 (V): N 116.400 116.400 122.137 -5.737 RESID 119 (V): C 174.100 174.100 173.996 0.104 RESID 119 (V): CA 58.270 58.270 60.435 -2.165 RESID 119 (V): CB 36.370 36.370 37.017 -0.647 RESID 119 (V): H 9.166 9.166 9.314 -0.148 RESID 120 (L): N 124.400 124.400 124.103 0.297 RESID 120 (L): C 176.900 176.900 175.682 1.218 RESID 120 (L): CA 53.690 53.690 53.956 -0.266 RESID 120 (L): CB 41.240 41.240 42.693 -1.453 RESID 120 (L): H 8.961 8.961 8.831 0.130 RESID 121 (Q): N 128.000 128.000 127.196 0.804 RESID 121 (Q): C 176.900 176.900 177.254 -0.354 RESID 121 (Q): CA 56.680 56.680 57.080 -0.400 RESID 121 (Q): CB 27.920 27.920 29.527 -1.607 RESID 121 (Q): H 9.305 9.305 9.003 0.302 RESID 122 (G): N 113.600 113.600 113.504 0.096 RESID 122 (G): C 175.100 175.100 173.546 1.554 RESID 122 (G): CA 45.240 45.240 45.473 -0.233 RESID 122 (G): H 9.383 9.383 8.819 0.564 RESID 123 (T): N 108.400 108.400 110.051 -1.651 RESID 123 (T): C 176.800 176.800 174.416 2.384 RESID 123 (T): CA 60.260 60.260 59.985 0.275 RESID 123 (T): CB 73.530 73.530 70.668 2.862 RESID 123 (T): H 7.220 7.220 7.731 -0.511 RESID 124 (T): N 113.900 113.900 112.506 1.394 RESID 124 (T): C 178.100 178.100 176.524 1.576 RESID 124 (T): CA 63.990 63.990 64.635 -0.645 RESID 124 (T): CB 67.740 67.740 68.716 -0.976 RESID 124 (T): H 8.934 8.934 8.665 0.269 RESID 125 (Q): N 120.600 120.600 122.433 -1.833 RESID 125 (Q): C 178.300 178.300 178.078 0.222 RESID 125 (Q): CA 61.670 61.670 59.771 1.899 RESID 125 (Q): CB 25.310 25.310 28.051 -2.741 RESID 125 (Q): H 7.521 7.521 8.272 -0.751 RESID 126 (E): N 121.900 121.900 119.750 2.150 RESID 126 (E): C 177.600 177.600 178.893 -1.293 RESID 126 (E): CA 59.630 59.630 59.828 -0.197 RESID 126 (E): CB 28.730 28.730 29.634 -0.904 RESID 126 (E): H 7.717 7.717 7.814 -0.097 RESID 127 (T): N 117.800 117.800 116.185 1.615 RESID 127 (T): C 176.200 176.200 176.353 -0.153 RESID 127 (T): CA 66.340 66.340 66.793 -0.453 RESID 127 (T): CB 67.590 67.590 68.722 -1.132 RESID 127 (T): H 8.175 8.175 7.613 0.562 RESID 128 (F): N 121.900 121.900 121.934 -0.034 RESID 128 (F): C 178.000 178.000 177.530 0.470 RESID 128 (F): CA 61.590 61.590 60.699 0.891 RESID 128 (F): CB 38.810 38.810 38.934 -0.124 RESID 128 (F): H 8.882 8.882 8.579 0.303 RESID 129 (G): N 107.000 107.000 107.149 -0.149 RESID 129 (G): C 176.100 176.100 176.469 -0.369 RESID 129 (G): CA 46.690 46.690 47.223 -0.533 RESID 129 (G): H 8.900 8.900 9.161 -0.261 RESID 130 (N): N 123.000 123.000 118.443 4.557 RESID 130 (N): C 176.200 176.200 175.834 0.366 RESID 130 (N): CA 55.400 55.400 55.331 0.069 RESID 130 (N): CB 37.570 37.570 38.194 -0.624 RESID 130 (N): H 8.915 8.915 8.555 0.360 RESID 131 (E): N 119.000 119.000 116.751 2.249 RESID 131 (E): C 177.900 177.900 177.102 0.798 RESID 131 (E): CA 57.940 57.940 56.710 1.230 RESID 131 (E): CB 29.350 29.350 30.757 -1.407 RESID 131 (E): H 7.907 7.907 7.490 0.417 RESID 132 (H): N 112.600 112.600 118.640 -6.040 RESID 132 (H): C 175.900 175.900 175.558 0.342 RESID 132 (H): CA 56.910 56.910 58.794 -1.884 RESID 132 (H): CB 30.510 30.510 29.803 0.707 RESID 132 (H): H 7.877 7.877 7.877 0.000 RESID 133 (W): N 119.300 119.300 117.446 1.854 RESID 133 (W): C 176.800 176.800 176.179 0.621 RESID 133 (W): CA 55.570 55.570 56.538 -0.968 RESID 133 (W): CB 30.400 30.400 29.717 0.683 RESID 133 (W): H 7.653 7.653 7.505 0.148 RESID 134 (A): N 125.400 125.400 124.649 0.751 RESID 134 (A): C 177.700 177.700 177.215 0.485 RESID 134 (A): CA 55.410 55.410 54.624 0.786 RESID 134 (A): CB 15.990 15.990 16.802 -0.812 RESID 134 (A): H 8.711 8.711 7.536 1.175 RESID 135 (P): C 177.200 177.200 177.447 -0.247 RESID 135 (P): CA 64.510 64.510 64.203 0.307 RESID 135 (P): CB 30.800 30.800 30.976 -0.176 RESID 136 (K): N 115.800 115.800 116.263 -0.463 RESID 136 (K): C 176.500 176.500 177.634 -1.134 RESID 136 (K): CA 53.530 53.530 55.917 -2.387 RESID 136 (K): CB 31.430 31.430 32.009 -0.579 RESID 136 (K): H 7.665 7.665 8.151 -0.486 RESID 137 (G): N 106.100 106.100 108.360 -2.260 RESID 137 (G): C 174.300 174.300 173.533 0.767 RESID 137 (G): CA 45.740 45.740 45.376 0.364 RESID 137 (G): H 7.864 7.864 7.670 0.194 RESID 138 (I): N 124.400 124.400 119.380 5.020 RESID 138 (I): C 174.400 174.400 174.765 -0.365 RESID 138 (I): CA 60.460 60.460 60.104 0.356 RESID 138 (I): CB 38.080 38.080 39.826 -1.746 RESID 138 (I): H 6.889 6.889 7.475 -0.586 RESID 139 (E): N 128.400 128.400 127.204 1.196 RESID 139 (E): C 173.900 173.900 175.092 -1.192 RESID 139 (E): CA 56.050 56.050 55.603 0.447 RESID 139 (E): CB 29.490 29.490 31.216 -1.726 RESID 139 (E): H 8.230 8.230 8.336 -0.106 RESID 140 (I): N 129.500 129.500 121.570 7.930 RESID 140 (I): C 176.100 176.100 174.719 1.381 RESID 140 (I): CA 57.100 57.100 59.020 -1.920 RESID 140 (I): CB 34.440 34.440 40.645 -6.205 RESID 140 (I): H 8.642 8.642 8.349 0.293 RESID 141 (V): N 133.000 133.000 125.011 7.989 RESID 141 (V): C 174.400 174.400 174.428 -0.028 RESID 141 (V): CA 61.060 61.060 61.145 -0.084 RESID 141 (V): CB 32.410 32.410 36.305 -3.895 RESID 141 (V): H 9.387 9.387 9.126 0.262 RESID 142 (S): N 122.900 122.900 120.229 2.671 RESID 142 (S): C 175.000 175.000 173.586 1.414 RESID 142 (S): CA 57.710 57.710 57.136 0.574 RESID 142 (S): CB 63.710 63.710 63.903 -0.193 RESID 142 (S): H 8.490 8.490 8.359 0.131 RESID 143 (Y): N 123.400 123.400 125.900 -2.500 RESID 143 (Y): C 175.900 175.900 176.422 -0.522 RESID 143 (Y): CA 57.300 57.300 57.658 -0.358 RESID 143 (Y): CB 42.300 42.300 41.404 0.896 RESID 143 (Y): H 8.979 8.979 9.327 -0.348 RESID 144 (Q): N 119.500 119.500 119.701 -0.201 RESID 144 (Q): C 176.000 176.000 174.962 1.038 RESID 144 (Q): CA 56.490 56.490 55.899 0.591 RESID 144 (Q): CB 28.470 28.470 29.912 -1.442 RESID 144 (Q): H 8.974 8.974 8.733 0.241 RESID 145 (G): N 106.800 106.800 107.317 -0.517 RESID 145 (G): C 173.500 173.500 174.160 -0.660 RESID 145 (G): CA 44.300 44.300 44.298 0.001 RESID 145 (G): H 7.531 7.531 7.860 -0.329 RESID 146 (Q): N 124.300 124.300 122.868 1.432 RESID 146 (Q): C 177.200 177.200 177.358 -0.158 RESID 146 (Q): CA 57.800 57.800 58.825 -1.025 RESID 146 (Q): CB 28.190 28.190 28.639 -0.449 RESID 146 (Q): H 8.949 8.949 8.864 0.085 RESID 147 (D): N 117.900 117.900 118.410 -0.510 RESID 147 (D): C 178.900 178.900 178.471 0.429 RESID 147 (D): CA 56.650 56.650 56.843 -0.193 RESID 147 (D): CB 38.890 38.890 39.744 -0.854 RESID 147 (D): H 8.746 8.746 8.784 -0.038 RESID 148 (N): N 117.500 117.500 117.795 -0.295 RESID 148 (N): C 176.700 176.700 177.351 -0.651 RESID 148 (N): CA 55.160 55.160 55.606 -0.446 RESID 148 (N): CB 38.700 38.700 38.095 0.605 RESID 148 (N): H 7.496 7.496 8.567 -1.071 RESID 149 (I): N 120.000 120.000 119.955 0.045 RESID 149 (I): C 177.400 177.400 177.514 -0.114 RESID 149 (I): CA 64.450 64.450 65.062 -0.612 RESID 149 (I): CB 35.900 35.900 37.599 -1.699 RESID 149 (I): H 6.793 6.793 7.182 -0.389 RESID 150 (Y): N 117.400 117.400 118.194 -0.794 RESID 150 (Y): C 178.800 178.800 178.076 0.724 RESID 150 (Y): CA 59.730 59.730 61.651 -1.921 RESID 150 (Y): CB 35.970 35.970 37.658 -1.688 RESID 150 (Y): H 6.897 6.897 7.387 -0.490 RESID 151 (S): N 117.000 117.000 114.903 2.097 RESID 151 (S): C 177.000 177.000 177.022 -0.022 RESID 151 (S): CA 61.300 61.300 61.694 -0.394 RESID 151 (S): CB 62.100 62.100 62.215 -0.115 RESID 151 (S): H 8.186 8.186 8.264 -0.078 RESID 152 (D): N 122.300 122.300 123.237 -0.937 RESID 152 (D): C 179.000 179.000 178.349 0.651 RESID 152 (D): CA 56.580 56.580 56.862 -0.282 RESID 152 (D): CB 38.240 38.240 40.374 -2.134 RESID 152 (D): H 7.541 7.541 7.707 -0.166 RESID 153 (L): N 124.100 124.100 121.195 2.905 RESID 153 (L): C 180.300 180.300 178.563 1.737 RESID 153 (L): CA 58.160 58.160 57.562 0.598 RESID 153 (L): CB 41.630 41.630 41.821 -0.191 RESID 153 (L): H 8.372 8.372 7.851 0.521 RESID 154 (T): N 111.900 111.900 113.372 -1.472 RESID 154 (T): C 176.700 176.700 175.352 1.348 RESID 154 (T): CA 63.920 63.920 65.415 -1.495 RESID 154 (T): CB 68.700 68.700 68.995 -0.295 RESID 154 (T): H 8.389 8.389 8.304 0.085 RESID 155 (A): N 121.800 121.800 120.093 1.707 RESID 155 (A): C 178.200 178.200 178.043 0.157 RESID 155 (A): CA 51.640 51.640 52.320 -0.680 RESID 155 (A): CB 18.990 18.990 19.431 -0.441 RESID 155 (A): H 7.444 7.444 7.071 0.373 RESID 156 (G): N 107.800 107.800 107.091 0.709 RESID 156 (G): C 175.100 175.100 175.352 -0.252 RESID 156 (G): CA 45.420 45.420 45.170 0.250 RESID 156 (G): H 7.921 7.921 8.043 -0.122 RESID 157 (R): N 119.000 119.000 119.212 -0.212 RESID 157 (R): C 176.600 176.600 175.704 0.896 RESID 157 (R): CA 57.260 57.260 57.600 -0.340 RESID 157 (R): CB 30.400 30.400 30.767 -0.367 RESID 157 (R): H 8.443 8.443 8.126 0.317 RESID 158 (I): N 108.900 108.900 112.855 -3.955 RESID 158 (I): C 173.700 173.700 174.305 -0.605 RESID 158 (I): CA 59.900 59.900 59.212 0.688 RESID 158 (I): CB 40.070 40.070 41.055 -0.985 RESID 158 (I): H 7.109 7.109 7.120 -0.011 RESID 159 (D): N 119.100 119.100 123.849 -4.749 RESID 159 (D): C 174.700 174.700 175.654 -0.954 RESID 159 (D): CA 55.900 55.900 56.306 -0.406 RESID 159 (D): CB 43.630 43.630 41.694 1.936 RESID 159 (D): H 8.737 8.737 8.557 0.180 RESID 160 (A): N 116.400 116.400 116.443 -0.043 RESID 160 (A): C 174.900 174.900 174.319 0.581 RESID 160 (A): CA 50.190 50.190 51.493 -1.303 RESID 160 (A): CB 23.030 23.030 21.335 1.695 RESID 160 (A): H 7.702 7.702 7.165 0.537 RESID 161 (A): N 123.400 123.400 121.793 1.607 RESID 161 (A): C 175.500 175.500 175.680 -0.180 RESID 161 (A): CA 49.730 49.730 50.309 -0.578 RESID 161 (A): CB 21.110 21.110 21.601 -0.491 RESID 161 (A): H 8.915 8.915 7.991 0.924 RESID 162 (F): N 125.100 125.100 122.644 2.456 RESID 162 (F): C 172.900 172.900 175.012 -2.112 RESID 162 (F): CA 54.500 54.500 58.249 -3.749 RESID 162 (F): CB 39.400 39.400 38.797 0.603 RESID 162 (F): H 8.971 8.971 8.462 0.509 RESID 163 (Q): N 124.600 124.600 123.375 1.225 RESID 163 (Q): C 173.400 173.400 173.710 -0.310 RESID 163 (Q): CA 53.550 53.550 53.639 -0.090 RESID 163 (Q): CB 34.390 34.390 33.150 1.240 RESID 163 (Q): H 7.904 7.904 8.323 -0.419 RESID 164 (D): N 122.300 122.300 121.170 1.130 RESID 164 (D): C 175.800 175.800 177.265 -1.465 RESID 164 (D): CA 55.540 55.540 54.502 1.038 RESID 164 (D): CB 42.370 42.370 42.069 0.301 RESID 164 (D): H 8.304 8.304 8.455 -0.151 RESID 165 (E): N 128.600 128.600 122.841 5.759 RESID 165 (E): C 177.700 177.700 178.141 -0.441 RESID 165 (E): CA 60.230 60.230 60.150 0.080 RESID 165 (E): CB 30.020 30.020 29.849 0.171 RESID 165 (E): H 8.605 8.605 8.785 -0.180 RESID 166 (V): N 120.100 120.100 118.893 1.207 RESID 166 (V): C 178.300 178.300 177.318 0.982 RESID 166 (V): CA 66.800 66.800 66.730 0.070 RESID 166 (V): CB 30.070 30.070 30.312 -0.242 RESID 166 (V): H 8.748 8.748 8.234 0.514 RESID 167 (A): N 123.200 123.200 120.040 3.160 RESID 167 (A): C 182.500 182.500 179.102 3.398 RESID 167 (A): CA 54.980 54.980 54.726 0.254 RESID 167 (A): CB 17.910 17.910 18.058 -0.148 RESID 167 (A): H 8.655 8.655 7.967 0.688 RESID 168 (A): N 121.300 121.300 122.184 -0.884 RESID 168 (A): C 179.800 179.800 179.734 0.066 RESID 168 (A): CA 54.180 54.180 54.548 -0.368 RESID 168 (A): CB 18.750 18.750 18.445 0.305 RESID 168 (A): H 8.349 8.349 7.901 0.448 RESID 169 (S): N 113.400 113.400 114.433 -1.033 RESID 169 (S): C 175.700 175.700 176.178 -0.478 RESID 169 (S): CA 61.050 61.050 62.553 -1.503 RESID 169 (S): CB 63.050 63.050 62.653 0.397 RESID 169 (S): H 8.058 8.058 8.160 -0.102 RESID 170 (E): N 115.600 115.600 120.129 -4.529 RESID 170 (E): C 178.800 178.800 177.254 1.546 RESID 170 (E): CA 57.610 57.610 58.041 -0.431 RESID 170 (E): CB 29.790 29.790 29.063 0.727 RESID 170 (E): H 8.824 8.824 7.828 0.996 RESID 171 (G): N 103.400 103.400 104.686 -1.286 RESID 171 (G): C 173.700 173.700 175.007 -1.307 RESID 171 (G): CA 44.970 44.970 45.247 -0.277 RESID 171 (G): H 8.154 8.154 7.330 0.824 RESID 172 (F): N 120.100 120.100 122.530 -2.430 RESID 172 (F): C 175.200 175.200 177.716 -2.516 RESID 172 (F): CA 60.690 60.690 61.139 -0.449 RESID 172 (F): CB 40.740 40.740 39.088 1.652 RESID 172 (F): H 7.297 7.297 8.336 -1.039 RESID 173 (L): N 117.800 117.800 117.844 -0.044 RESID 173 (L): C 179.000 179.000 178.308 0.692 RESID 173 (L): CA 57.670 57.670 56.895 0.775 RESID 173 (L): CB 40.020 40.020 41.840 -1.820 RESID 173 (L): H 8.470 8.470 7.529 0.941 RESID 174 (K): N 114.600 114.600 116.394 -1.794 RESID 174 (K): C 176.900 176.900 176.408 0.492 RESID 174 (K): CA 56.450 56.450 57.269 -0.819 RESID 174 (K): CB 31.770 31.770 32.658 -0.888 RESID 174 (K): H 8.018 8.018 7.598 0.420 RESID 175 (Q): N 118.800 118.800 116.940 1.860 RESID 175 (Q): C 176.000 176.000 173.999 2.001 RESID 175 (Q): CA 52.510 52.510 52.266 0.244 RESID 175 (Q): CB 26.740 26.740 29.815 -3.075 RESID 175 (Q): H 7.151 7.151 7.282 -0.131 RESID 176 (P): C 179.300 179.300 177.709 1.591 RESID 176 (P): CA 66.100 66.100 65.398 0.702 RESID 176 (P): CB 30.720 30.720 31.705 -0.985 RESID 177 (V): N 112.300 112.300 117.232 -4.932 RESID 177 (V): C 175.900 175.900 177.759 -1.859 RESID 177 (V): CA 62.860 62.860 65.856 -2.996 RESID 177 (V): CB 30.660 30.660 31.008 -0.348 RESID 177 (V): H 7.480 7.480 7.750 -0.270 RESID 178 (G): N 109.700 109.700 105.469 4.231 RESID 178 (G): C 175.000 175.000 174.897 0.103 RESID 178 (G): CA 44.080 44.080 46.063 -1.983 RESID 178 (G): H 7.173 7.173 7.641 -0.468 RESID 179 (K): N 120.900 120.900 119.157 1.743 RESID 179 (K): C 177.100 177.100 177.651 -0.551 RESID 179 (K): CA 58.360 58.360 58.457 -0.097 RESID 179 (K): CB 31.260 31.260 32.309 -1.049 RESID 179 (K): H 6.972 6.972 7.238 -0.266 RESID 180 (D): N 117.200 117.200 117.077 0.123 RESID 180 (D): C 173.900 173.900 175.821 -1.921 RESID 180 (D): CA 53.920 53.920 55.871 -1.951 RESID 180 (D): CB 39.690 39.690 41.261 -1.571 RESID 180 (D): H 8.036 8.036 7.553 0.483 RESID 181 (Y): N 120.500 120.500 114.966 5.534 RESID 181 (Y): C 172.300 172.300 173.460 -1.160 RESID 181 (Y): CA 57.890 57.890 57.705 0.186 RESID 181 (Y): CB 41.860 41.860 42.303 -0.443 RESID 181 (Y): H 7.768 7.768 7.380 0.388 RESID 182 (K): N 116.900 116.900 118.692 -1.792 RESID 182 (K): C 174.900 174.900 174.282 0.618 RESID 182 (K): CA 54.330 54.330 56.446 -2.116 RESID 182 (K): CB 35.610 35.610 33.324 2.286 RESID 182 (K): H 9.497 9.497 8.836 0.661 RESID 183 (F): N 117.900 117.900 122.208 -4.308 RESID 183 (F): C 177.800 177.800 174.990 2.810 RESID 183 (F): CA 56.780 56.780 58.099 -1.319 RESID 183 (F): CB 38.320 38.320 42.864 -4.543 RESID 183 (F): H 8.470 8.470 7.868 0.602 RESID 184 (G): N 113.700 113.700 109.376 4.324 RESID 184 (G): C 173.300 173.300 174.705 -1.405 RESID 184 (G): CA 46.900 46.900 45.019 1.881 RESID 184 (G): H 9.107 9.107 8.856 0.251 RESID 185 (G): N 111.000 111.000 110.208 0.792 RESID 185 (G): C 171.100 171.100 172.906 -1.806 RESID 185 (G): CA 44.530 44.530 45.559 -1.029 RESID 185 (G): H 7.702 7.702 8.483 -0.781 RESID 186 (P): C 175.500 175.500 176.205 -0.705 RESID 186 (P): CA 61.920 61.920 64.455 -2.535 RESID 186 (P): CB 32.640 32.640 31.852 0.788 RESID 187 (S): N 113.500 113.500 119.677 -6.177 RESID 187 (S): C 173.500 173.500 173.675 -0.175 RESID 187 (S): CA 57.930 57.930 57.471 0.459 RESID 187 (S): CB 63.260 63.260 65.790 -2.530 RESID 187 (S): H 8.452 8.452 8.359 0.093 RESID 188 (V): N 123.300 123.300 122.222 1.078 RESID 188 (V): C 173.900 173.900 173.737 0.163 RESID 188 (V): CA 61.800 61.800 61.786 0.014 RESID 188 (V): CB 32.680 32.680 34.154 -1.474 RESID 188 (V): H 9.080 9.080 7.924 1.156 RESID 189 (K): N 125.200 125.200 121.840 3.360 RESID 189 (K): C 176.700 176.700 174.085 2.615 RESID 189 (K): CA 54.680 54.680 56.259 -1.579 RESID 189 (K): CB 33.780 33.780 34.416 -0.636 RESID 189 (K): H 8.123 8.123 8.173 -0.050 RESID 190 (D): N 120.300 120.300 122.091 -1.791 RESID 190 (D): C 175.300 175.300 176.883 -1.583 RESID 190 (D): CA 55.610 55.610 53.443 2.167 RESID 190 (D): CB 42.620 42.620 40.416 2.204 RESID 190 (D): H 8.823 8.823 8.298 0.525 RESID 191 (E): N 129.100 129.100 126.600 2.500 RESID 191 (E): C 177.300 177.300 177.549 -0.249 RESID 191 (E): CA 59.310 59.310 58.449 0.861 RESID 191 (E): CB 28.420 28.420 29.524 -1.104 RESID 191 (E): H 9.239 9.239 8.842 0.397 RESID 192 (K): N 118.000 118.000 119.286 -1.286 RESID 192 (K): C 178.200 178.200 178.109 0.091 RESID 192 (K): CA 58.140 58.140 58.924 -0.784 RESID 192 (K): CB 31.690 31.690 32.146 -0.456 RESID 192 (K): H 7.918 7.918 8.764 -0.846 RESID 193 (L): N 118.200 118.200 118.580 -0.380 RESID 193 (L): C 177.700 177.700 178.322 -0.622 RESID 193 (L): CA 55.790 55.790 56.935 -1.145 RESID 193 (L): CB 42.330 42.330 41.911 0.419 RESID 193 (L): H 8.362 8.362 7.202 1.160 RESID 194 (F): N 116.800 116.800 115.213 1.587 RESID 194 (F): C 178.200 178.200 175.860 2.340 RESID 194 (F): CA 54.620 54.620 57.161 -2.541 RESID 194 (F): CB 37.390 37.390 39.290 -1.900 RESID 194 (F): H 8.036 8.036 7.358 0.678 RESID 195 (G): N 106.900 106.900 108.837 -1.937 RESID 195 (G): C 174.200 174.200 173.876 0.324 RESID 195 (G): CA 44.120 44.120 45.002 -0.882 RESID 195 (G): H 7.510 7.510 7.676 -0.166 RESID 196 (V): N 112.400 112.400 123.530 -11.130 RESID 196 (V): C 175.300 175.300 175.990 -0.690 RESID 196 (V): CA 60.720 60.720 64.238 -3.518 RESID 196 (V): CB 30.630 30.630 32.167 -1.537 RESID 196 (V): H 8.064 8.064 8.295 -0.231 RESID 197 (G): N 108.100 108.100 105.055 3.045 RESID 197 (G): C 172.300 172.300 172.211 0.089 RESID 197 (G): CA 43.210 43.210 45.290 -2.080 RESID 197 (G): H 7.788 7.788 7.286 0.502 RESID 198 (T): N 109.200 109.200 114.097 -4.897 RESID 198 (T): C 172.800 172.800 173.287 -0.487 RESID 198 (T): CA 59.090 59.090 59.454 -0.364 RESID 198 (T): CB 71.080 71.080 71.555 -0.475 RESID 198 (T): H 7.796 7.796 7.845 -0.049 RESID 199 (G): N 103.900 103.900 108.454 -4.554 RESID 199 (G): C 171.800 171.800 172.642 -0.842 RESID 199 (G): CA 43.840 43.840 45.448 -1.608 RESID 199 (G): H 7.928 7.928 7.781 0.147 RESID 200 (M): N 121.400 121.400 119.862 1.538 RESID 200 (M): C 176.200 176.200 175.977 0.223 RESID 200 (M): CA 55.260 55.260 55.249 0.011 RESID 200 (M): CB 33.390 33.390 34.986 -1.596 RESID 200 (M): H 7.971 7.971 8.497 -0.526 RESID 201 (G): N 112.200 112.200 110.727 1.473 RESID 201 (G): C 172.000 172.000 172.790 -0.790 RESID 201 (G): CA 44.540 44.540 44.421 0.119 RESID 201 (G): H 8.818 8.818 8.322 0.496 RESID 202 (L): N 124.700 124.700 124.779 -0.079 RESID 202 (L): C 176.000 176.000 175.877 0.123 RESID 202 (L): CA 53.740 53.740 52.824 0.916 RESID 202 (L): CB 46.010 46.010 46.131 -0.121 RESID 202 (L): H 8.767 8.767 8.605 0.162 RESID 203 (R): N 121.600 121.600 120.181 1.419 RESID 203 (R): C 180.400 180.400 177.905 2.495 RESID 203 (R): CA 57.130 57.130 55.486 1.644 RESID 203 (R): CB 29.650 29.650 31.310 -1.660 RESID 203 (R): H 10.270 10.270 8.260 2.010 RESID 204 (K): N 123.200 123.200 124.666 -1.466 RESID 204 (K): C 178.200 178.200 177.545 0.655 RESID 204 (K): CA 59.570 59.570 59.726 -0.156 RESID 204 (K): CB 31.840 31.840 32.068 -0.228 RESID 204 (K): H 9.231 9.231 8.662 0.569 RESID 205 (E): N 113.800 113.800 117.202 -3.402 RESID 205 (E): C 177.700 177.700 177.937 -0.237 RESID 205 (E): CA 57.230 57.230 58.284 -1.054 RESID 205 (E): CB 27.770 27.770 28.923 -1.153 RESID 205 (E): H 9.026 9.026 8.224 0.802 RESID 206 (D): N 126.000 126.000 120.760 5.240 RESID 206 (D): C 177.300 177.300 176.520 0.780 RESID 206 (D): CA 53.710 53.710 53.681 0.029 RESID 206 (D): CB 37.530 37.530 38.694 -1.164 RESID 206 (D): H 7.253 7.253 8.024 -0.771 RESID 207 (N): N 120.100 120.100 120.437 -0.337 RESID 207 (N): C 176.900 176.900 177.017 -0.117 RESID 207 (N): CA 56.950 56.950 56.429 0.521 RESID 207 (N): CB 38.820 38.820 38.895 -0.075 RESID 207 (N): H 7.839 7.839 8.732 -0.893 RESID 208 (E): N 120.500 120.500 118.945 1.555 RESID 208 (E): C 179.900 179.900 178.463 1.437 RESID 208 (E): CA 59.870 59.870 58.965 0.905 RESID 208 (E): CB 27.630 27.630 29.448 -1.818 RESID 208 (E): H 8.776 8.776 8.329 0.447 RESID 209 (L): N 122.900 122.900 120.432 2.468 RESID 209 (L): C 177.100 177.100 178.209 -1.109 RESID 209 (L): CA 57.400 57.400 57.502 -0.102 RESID 209 (L): CB 40.660 40.660 41.820 -1.160 RESID 209 (L): H 8.366 8.366 7.849 0.517 RESID 210 (R): N 119.100 119.100 118.797 0.303 RESID 210 (R): C 177.400 177.400 178.182 -0.782 RESID 210 (R): CA 59.970 59.970 59.771 0.199 RESID 210 (R): CB 30.110 30.110 30.020 0.090 RESID 210 (R): H 7.582 7.582 8.348 -0.766 RESID 211 (E): N 116.200 116.200 119.234 -3.034 RESID 211 (E): C 179.800 179.800 178.537 1.263 RESID 211 (E): CA 59.150 59.150 59.268 -0.118 RESID 211 (E): CB 28.600 28.600 29.573 -0.973 RESID 211 (E): H 8.407 8.407 7.884 0.523 RESID 212 (A): N 123.500 123.500 122.680 0.820 RESID 212 (A): C 181.300 181.300 179.648 1.652 RESID 212 (A): CA 54.810 54.810 54.723 0.087 RESID 212 (A): CB 17.170 17.170 18.136 -0.966 RESID 212 (A): H 8.128 8.128 7.576 0.552 RESID 213 (L): N 121.200 121.200 119.698 1.502 RESID 213 (L): C 178.400 178.400 179.646 -1.246 RESID 213 (L): CA 57.710 57.710 58.153 -0.443 RESID 213 (L): CB 41.450 41.450 41.126 0.324 RESID 213 (L): H 8.364 8.364 8.079 0.285 RESID 214 (N): N 119.200 119.200 116.395 2.805 RESID 214 (N): C 179.700 179.700 177.841 1.859 RESID 214 (N): CA 55.260 55.260 55.873 -0.613 RESID 214 (N): CB 37.120 37.120 37.935 -0.815 RESID 214 (N): H 8.435 8.435 8.396 0.039 RESID 215 (K): N 123.800 123.800 121.356 2.444 RESID 215 (K): C 178.400 178.400 178.519 -0.119 RESID 215 (K): CA 59.090 59.090 59.390 -0.300 RESID 215 (K): CB 31.740 31.740 32.484 -0.744 RESID 215 (K): H 8.080 8.080 8.430 -0.350 RESID 216 (A): N 122.200 122.200 121.776 0.424 RESID 216 (A): C 179.500 179.500 179.523 -0.023 RESID 216 (A): CA 54.140 54.140 54.875 -0.735 RESID 216 (A): CB 18.700 18.700 18.275 0.425 RESID 216 (A): H 7.935 7.935 8.323 -0.388 RESID 217 (F): N 119.500 119.500 120.128 -0.628 RESID 217 (F): C 177.200 177.200 176.975 0.225 RESID 217 (F): CA 61.390 61.390 60.219 1.171 RESID 217 (F): CB 38.000 38.000 39.053 -1.054 RESID 217 (F): H 8.916 8.916 8.304 0.612 RESID 218 (A): N 121.300 121.300 121.220 0.080 RESID 218 (A): C 182.100 182.100 179.663 2.437 RESID 218 (A): CA 54.810 54.810 55.213 -0.403 RESID 218 (A): CB 16.650 16.650 17.983 -1.333 RESID 218 (A): H 7.956 7.956 8.175 -0.219 RESID 219 (E): N 120.000 120.000 119.064 0.936 RESID 219 (E): C 178.600 178.600 179.014 -0.414 RESID 219 (E): CA 59.040 59.040 59.337 -0.297 RESID 219 (E): CB 28.320 28.320 29.482 -1.162 RESID 219 (E): H 7.952 7.952 7.855 0.097 RESID 220 (M): N 120.900 120.900 118.230 2.670 RESID 220 (M): C 179.000 179.000 178.662 0.338 RESID 220 (M): CA 57.430 57.430 59.418 -1.988 RESID 220 (M): CB 32.620 32.620 32.491 0.129 RESID 220 (M): H 8.190 8.190 8.090 0.100 RESID 221 (R): N 119.200 119.200 118.366 0.834 RESID 221 (R): C 179.300 179.300 178.982 0.318 RESID 221 (R): CA 58.710 58.710 59.106 -0.396 RESID 221 (R): CB 27.480 27.480 29.881 -2.401 RESID 221 (R): H 7.762 7.762 7.505 0.257 RESID 222 (A): N 122.500 122.500 122.014 0.486 RESID 222 (A): C 179.300 179.300 178.957 0.343 RESID 222 (A): CA 54.180 54.180 54.580 -0.400 RESID 222 (A): CB 18.030 18.030 18.611 -0.581 RESID 222 (A): H 7.838 7.838 7.774 0.064 RESID 223 (D): N 115.100 115.100 114.761 0.339 RESID 223 (D): C 177.900 177.900 177.241 0.659 RESID 223 (D): CA 53.020 53.020 53.177 -0.157 RESID 223 (D): CB 39.570 39.570 40.282 -0.712 RESID 223 (D): H 8.091 8.091 8.057 0.034 RESID 224 (G): N 106.700 106.700 108.307 -1.607 RESID 224 (G): C 176.000 176.000 176.059 -0.059 RESID 224 (G): CA 45.070 45.070 46.321 -1.251 RESID 224 (G): H 7.199 7.199 7.443 -0.244 RESID 225 (T): N 122.400 122.400 117.128 5.272 RESID 225 (T): C 175.700 175.700 175.278 0.422 RESID 225 (T): CA 67.610 67.610 68.072 -0.462 RESID 225 (T): CB 66.840 66.840 68.790 -1.950 RESID 225 (T): H 9.095 9.095 9.324 -0.229 RESID 226 (Y): N 121.500 121.500 121.703 -0.203 RESID 226 (Y): C 176.000 176.000 176.919 -0.919 RESID 226 (Y): CA 62.530 62.530 62.309 0.221 RESID 226 (Y): CB 38.410 38.410 38.330 0.080 RESID 226 (Y): H 8.040 8.040 7.652 0.388 RESID 227 (E): N 118.200 118.200 118.696 -0.496 RESID 227 (E): C 178.200 178.200 178.699 -0.499 RESID 227 (E): CA 58.940 58.940 59.487 -0.547 RESID 227 (E): CB 28.810 28.810 29.134 -0.324 RESID 227 (E): H 8.153 8.153 8.602 -0.449 RESID 228 (K): N 119.100 119.100 120.403 -1.303 RESID 228 (K): C 179.500 179.500 179.069 0.431 RESID 228 (K): CA 59.260 59.260 59.493 -0.233 RESID 228 (K): CB 31.520 31.520 32.422 -0.902 RESID 228 (K): H 7.558 7.558 8.374 -0.816 RESID 229 (L): N 119.100 119.100 119.388 -0.288 RESID 229 (L): C 179.300 179.300 178.811 0.489 RESID 229 (L): CA 56.970 56.970 57.712 -0.742 RESID 229 (L): CB 41.520 41.520 41.876 -0.356 RESID 229 (L): H 8.055 8.055 8.109 -0.054 RESID 230 (A): N 121.200 121.200 122.095 -0.895 RESID 230 (A): C 180.500 180.500 179.229 1.271 RESID 230 (A): CA 54.890 54.890 55.524 -0.634 RESID 230 (A): CB 17.570 17.570 17.726 -0.156 RESID 230 (A): H 8.901 8.901 8.346 0.555 RESID 231 (K): N 117.200 117.200 117.934 -0.734 RESID 231 (K): C 177.700 177.700 178.121 -0.421 RESID 231 (K): CA 57.370 57.370 58.764 -1.394 RESID 231 (K): CB 31.330 31.330 32.352 -1.022 RESID 231 (K): H 8.062 8.062 8.066 -0.004 RESID 232 (K): N 117.600 117.600 116.712 0.888 RESID 232 (K): C 176.800 176.800 179.165 -2.365 RESID 232 (K): CA 57.890 57.890 58.616 -0.726 RESID 232 (K): CB 31.150 31.150 32.551 -1.401 RESID 232 (K): H 7.053 7.053 7.422 -0.369 RESID 233 (Y): N 114.000 114.000 117.015 -3.015 RESID 233 (Y): C 175.100 175.100 175.737 -0.637 RESID 233 (Y): CA 58.110 58.110 61.167 -3.057 RESID 233 (Y): CB 39.360 39.360 38.846 0.514 RESID 233 (Y): H 7.013 7.013 7.980 -0.967 RESID 234 (F): N 116.400 116.400 113.424 2.976 RESID 234 (F): C 175.800 175.800 173.432 2.368 RESID 234 (F): CA 54.920 54.920 56.732 -1.812 RESID 234 (F): CB 41.260 41.260 42.776 -1.516 RESID 234 (F): H 8.038 8.038 8.161 -0.123 RESID 235 (D): N 123.000 123.000 120.712 2.288 RESID 235 (D): C 174.500 174.500 175.094 -0.594 RESID 235 (D): CA 52.680 52.680 53.416 -0.736 RESID 235 (D): CB 39.860 39.860 39.697 0.163 RESID 235 (D): H 8.879 8.879 8.628 0.251 RESID 236 (F): N 115.500 115.500 122.032 -6.532 RESID 236 (F): C 173.600 173.600 173.598 0.002 RESID 236 (F): CA 53.950 53.950 56.253 -2.303 RESID 236 (F): CB 39.860 39.860 39.806 0.054 RESID 236 (F): H 6.793 6.793 7.453 -0.660 RESID 237 (D): N 119.700 119.700 122.049 -2.349 RESID 237 (D): C 175.800 175.800 177.083 -1.283 RESID 237 (D): CA 52.980 52.980 52.585 0.395 RESID 237 (D): CB 39.210 39.210 41.868 -2.658 RESID 237 (D): H 8.831 8.831 8.672 0.159 RESID 238 (V): N 129.900 129.900 122.617 7.283 RESID 238 (V): C 175.200 175.200 176.692 -1.492 RESID 238 (V): CA 61.840 61.840 65.092 -3.252 RESID 238 (V): CB 32.500 32.500 31.836 0.664 RESID 238 (V): H 7.376 7.376 8.400 -1.024 RESID 239 (Y): N 123.500 123.500 118.017 5.483 RESID 239 (Y): C 176.500 176.500 178.628 -2.128 RESID 239 (Y): CA 61.920 61.920 60.809 1.111 RESID 239 (Y): CB 38.010 38.010 37.885 0.125 RESID 239 (Y): H 8.314 8.314 8.410 -0.096 RESID 240 (G): N 104.100 104.100 104.491 -0.391 RESID 240 (G): C 174.600 174.600 174.841 -0.241 RESID 240 (G): CA 45.930 45.930 45.411 0.519 RESID 240 (G): H 7.428 7.428 7.944 -0.516 N HA C CA CB H RESID 6 (P): ----- ----- -0.713 -0.623 -0.727 ----- RESID 7 (Q): -0.369 ----- -0.407 -0.667 -0.640 -0.301 RESID 8 (N): 1.863 ----- -0.292 -0.665 -1.301 -0.333 RESID 9 (I): -2.379 ----- -0.169 -0.714 0.095 -0.730 RESID 10 (R): -1.288 ----- 0.748 -1.783 -0.238 0.409 RESID 11 (I): 3.266 ----- 0.322 0.112 -3.979 0.277 RESID 12 (G): 0.489 ----- -1.275 0.257 ----- 0.784 RESID 13 (T): -0.980 ----- 8.560 -0.607 -1.831 0.625 RESID 14 (D): -0.736 ----- 2.745 -0.552 -1.719 -0.495 RESID 15 (P): ----- ----- -1.086 -1.420 -4.510 ----- RESID 16 (T): 5.459 ----- 0.728 -2.481 -1.247 0.433 RESID 17 (Y): 3.935 ----- -0.467 -1.945 0.217 0.855 RESID 18 (A): 2.442 ----- -0.463 -4.566 -0.168 0.028 RESID 19 (P): ----- ----- -4.141 -2.263 0.181 ----- RESID 20 (F): 7.319 ----- 1.778 2.703 -3.136 -0.144 RESID 21 (E): -2.715 ----- -0.831 -0.831 -5.377 -0.790 RESID 22 (S): 4.056 ----- -0.780 -1.269 -1.223 0.432 RESID 23 (K): -1.854 ----- 2.605 -1.673 -1.807 0.006 RESID 24 (N): 1.593 ----- 1.049 -1.299 -1.862 0.071 RESID 25 (S): ----- ----- -0.015 0.008 -0.191 ----- RESID 26 (Q): -0.178 ----- -0.568 -0.404 -0.473 -0.353 RESID 27 (G): 1.127 ----- -0.367 0.003 ----- 0.257 RESID 28 (E): 0.487 ----- 0.195 -1.395 -0.891 -0.208 RESID 29 (L): 2.501 ----- 0.495 0.578 -1.570 -0.051 RESID 30 (V): -4.121 ----- 1.651 -1.785 -0.121 1.033 RESID 31 (G): -0.013 ----- 0.868 -1.332 ----- 1.176 RESID 32 (F): -3.002 ----- 1.719 -0.163 -0.373 0.030 RESID 33 (D): -2.572 ----- 1.075 -0.376 -1.598 1.735 RESID 34 (I): -0.745 ----- 0.305 -3.762 -4.178 -1.199 RESID 35 (D): 0.590 ----- 1.582 -0.357 0.072 0.765 RESID 36 (L): -0.453 ----- 0.513 -0.082 0.655 1.288 RESID 37 (A): -1.642 ----- -0.910 -0.160 -1.068 0.743 RESID 38 (K): -2.878 ----- 0.936 0.506 -0.494 0.660 RESID 39 (E): 2.178 ----- -1.091 -0.901 -1.525 -0.106 RESID 40 (L): 1.138 ----- -0.142 0.225 -1.502 0.625 RESID 41 (C): -2.850 ----- -1.676 -0.403 21.405 -0.164 RESID 42 (K): -0.292 ----- 1.628 -0.648 -0.927 -0.595 RESID 43 (R): 1.390 ----- 0.023 0.272 -0.225 0.496 RESID 44 (I): -5.720 ----- -0.820 -2.152 -1.537 -0.699 RESID 45 (N): 3.069 ----- -0.342 -0.954 0.708 -0.280 RESID 46 (T): 7.155 ----- 0.298 -0.306 -1.315 -0.030 RESID 47 (Q): 3.560 ----- 0.818 -0.516 -1.917 -0.267 RESID 48 (C): -0.416 ----- -0.665 -4.640 17.862 0.206 RESID 49 (T): -2.044 ----- 0.140 -1.033 -0.045 -0.511 RESID 50 (F): -2.218 ----- -0.127 -0.059 0.514 0.341 RESID 51 (V): 2.414 ----- -0.043 -0.037 -1.608 0.211 RESID 52 (E): -2.210 ----- 1.647 -2.792 -1.026 -0.156 RESID 53 (N): 6.223 ----- -1.806 -0.201 5.625 0.683 RESID 54 (P): ----- ----- -0.189 -0.697 -1.442 ----- RESID 55 (L): 0.042 ----- 0.886 -1.092 0.102 0.287 RESID 56 (D): -3.613 ----- -0.827 -0.775 -0.540 0.122 RESID 57 (A): 0.472 ----- 1.044 -2.184 -0.470 -0.265 RESID 58 (L): 1.139 ----- -0.960 0.867 -1.757 -0.277 RESID 59 (I): 0.096 ----- 1.257 1.629 -0.709 1.385 RESID 60 (P): ----- ----- 0.866 -0.593 -1.280 ----- RESID 61 (S): -0.101 ----- -1.209 0.427 ----- -0.338 RESID 62 (L): 3.182 ----- 1.937 -0.351 0.003 0.189 RESID 63 (K): 1.873 ----- -0.243 0.241 -1.696 0.740 RESID 64 (A): 0.175 ----- -0.456 -0.233 -0.304 -0.296 RESID 65 (K): -1.799 ----- -0.454 -0.169 -2.155 0.056 RESID 66 (K): 2.873 ----- -0.547 -1.259 -0.847 0.594 RESID 67 (I): -5.160 ----- -1.406 -0.018 -0.533 -0.227 RESID 68 (D): -3.474 ----- -3.749 0.258 1.700 1.252 RESID 69 (A): -0.932 ----- 1.087 -1.044 -0.208 -0.121 RESID 70 (I): -0.421 ----- -0.010 -0.558 0.264 1.275 RESID 71 (M): -0.696 ----- -1.431 -2.031 -0.202 0.174 RESID 72 (S): 1.694 ----- -1.876 1.064 -0.532 0.065 RESID 73 (S): 5.058 ----- 0.073 -1.033 0.131 -0.076 RESID 74 (L): -3.636 ----- -0.562 -1.404 -0.507 1.344 RESID 75 (S): 2.192 ----- 0.843 2.036 -1.574 0.280 RESID 76 (I): 9.394 ----- 0.862 1.821 -3.836 0.018 RESID 77 (T): 3.099 ----- -0.288 -2.198 -0.739 -1.011 RESID 78 (E): -0.430 ----- 1.614 -1.735 -0.630 0.010 RESID 79 (K): 0.041 ----- 1.537 -0.309 -0.690 0.051 RESID 80 (R): -0.320 ----- 0.140 0.358 0.283 0.270 RESID 81 (Q): -0.726 ----- -2.042 -1.468 0.284 0.139 RESID 82 (Q): -2.010 ----- -0.566 -1.027 -0.588 -0.611 RESID 83 (E): -2.106 ----- -0.914 -1.399 1.899 -0.298 RESID 84 (I): 3.235 ----- -1.325 0.466 -0.670 0.277 RESID 85 (A): 0.220 ----- -0.208 -1.087 0.775 0.227 RESID 86 (F): -3.400 ----- 2.931 -0.914 0.267 -0.325 RESID 87 (T): -6.574 ----- 0.891 0.913 2.600 -0.417 RESID 88 (D): -1.655 ----- -0.649 -0.763 1.098 0.017 RESID 89 (K): 1.953 ----- -0.809 -1.643 0.203 0.042 RESID 90 (L): -0.739 ----- 0.326 -2.699 -1.367 0.251 RESID 91 (Y): -0.811 ----- -0.700 -0.130 -2.697 -0.437 RESID 92 (A): 0.685 ----- -1.077 0.930 0.733 -0.940 RESID 93 (A): -0.764 ----- -0.924 0.421 -0.053 0.420 RESID 94 (D): 1.292 ----- -0.830 -1.254 -0.208 0.751 RESID 95 (S): -1.854 ----- -1.467 0.445 -0.092 -1.036 RESID 96 (R): 4.521 ----- -0.170 1.546 -0.281 0.392 RESID 97 (L): -1.035 ----- 1.673 0.339 -1.753 1.286 RESID 98 (V): 0.856 ----- 0.693 0.908 0.468 1.460 RESID 99 (V): -5.398 ----- 0.725 -0.281 1.248 1.012 RESID 100 (A): 0.804 ----- 0.746 2.032 -1.853 0.668 RESID 101 (K): -4.011 ----- -0.237 0.385 -0.506 -1.068 RESID 102 (N): -1.141 ----- 0.254 -2.318 -1.617 -0.257 RESID 103 (S): 0.122 ----- 2.711 0.685 0.402 0.107 RESID 104 (D): -0.795 ----- 1.525 -1.030 -0.548 0.006 RESID 105 (I): -2.058 ----- -0.818 3.034 -3.047 -0.371 RESID 106 (Q): -0.454 ----- 0.873 -0.674 1.231 -0.321 RESID 107 (P): ----- ----- -0.497 -1.781 -4.163 ----- RESID 108 (T): -3.123 ----- -0.383 -3.939 -0.939 0.860 RESID 109 (V): -1.406 ----- 0.362 0.856 -2.189 0.291 RESID 110 (E): -3.922 ----- -0.275 -0.862 -0.878 0.030 RESID 111 (S): -0.213 ----- 0.581 -1.618 1.202 -1.057 RESID 112 (L): -4.321 ----- 0.003 -0.782 0.093 0.346 RESID 113 (K): 1.786 ----- 0.702 0.606 -1.399 -0.304 RESID 114 (G): 0.967 ----- -0.600 -0.089 ----- 0.104 RESID 115 (K): -1.198 ----- -1.310 -1.080 -1.280 0.651 RESID 116 (R): -1.463 ----- 0.562 -0.972 0.464 1.008 RESID 117 (V): 3.037 ----- 0.364 -0.135 -2.013 0.652 RESID 118 (G): 0.373 ----- -0.208 1.413 ----- 1.291 RESID 119 (V): -5.737 ----- 0.104 -2.165 -0.647 -0.148 RESID 120 (L): 0.297 ----- 1.218 -0.266 -1.453 0.130 RESID 121 (Q): 0.804 ----- -0.354 -0.400 -1.607 0.302 RESID 122 (G): 0.096 ----- 1.554 -0.233 ----- 0.564 RESID 123 (T): -1.651 ----- 2.384 0.275 2.862 -0.511 RESID 124 (T): 1.394 ----- 1.576 -0.645 -0.976 0.269 RESID 125 (Q): -1.833 ----- 0.222 1.899 -2.741 -0.751 RESID 126 (E): 2.150 ----- -1.293 -0.197 -0.904 -0.097 RESID 127 (T): 1.615 ----- -0.153 -0.453 -1.132 0.562 RESID 128 (F): -0.034 ----- 0.470 0.891 -0.124 0.303 RESID 129 (G): -0.149 ----- -0.369 -0.533 ----- -0.261 RESID 130 (N): 4.557 ----- 0.366 0.069 -0.624 0.360 RESID 131 (E): 2.249 ----- 0.798 1.230 -1.407 0.417 RESID 132 (H): -6.040 ----- 0.342 -1.884 0.707 0.000 RESID 133 (W): 1.854 ----- 0.621 -0.968 0.683 0.148 RESID 134 (A): 0.751 ----- 0.485 0.786 -0.812 1.175 RESID 135 (P): ----- ----- -0.247 0.307 -0.176 ----- RESID 136 (K): -0.463 ----- -1.134 -2.387 -0.579 -0.486 RESID 137 (G): -2.260 ----- 0.767 0.364 ----- 0.194 RESID 138 (I): 5.020 ----- -0.365 0.356 -1.746 -0.586 RESID 139 (E): 1.196 ----- -1.192 0.447 -1.726 -0.106 RESID 140 (I): 7.930 ----- 1.381 -1.920 -6.205 0.293 RESID 141 (V): 7.989 ----- -0.028 -0.084 -3.895 0.262 RESID 142 (S): 2.671 ----- 1.414 0.574 -0.193 0.131 RESID 143 (Y): -2.500 ----- -0.522 -0.358 0.896 -0.348 RESID 144 (Q): -0.201 ----- 1.038 0.591 -1.442 0.241 RESID 145 (G): -0.517 ----- -0.660 0.001 ----- -0.329 RESID 146 (Q): 1.432 ----- -0.158 -1.025 -0.449 0.085 RESID 147 (D): -0.510 ----- 0.429 -0.193 -0.854 -0.038 RESID 148 (N): -0.295 ----- -0.651 -0.446 0.605 -1.071 RESID 149 (I): 0.045 ----- -0.114 -0.612 -1.699 -0.389 RESID 150 (Y): -0.794 ----- 0.724 -1.921 -1.688 -0.490 RESID 151 (S): 2.097 ----- -0.022 -0.394 -0.115 -0.078 RESID 152 (D): -0.937 ----- 0.651 -0.282 -2.134 -0.166 RESID 153 (L): 2.905 ----- 1.737 0.598 -0.191 0.521 RESID 154 (T): -1.472 ----- 1.348 -1.495 -0.295 0.085 RESID 155 (A): 1.707 ----- 0.157 -0.680 -0.441 0.373 RESID 156 (G): 0.709 ----- -0.252 0.250 ----- -0.122 RESID 157 (R): -0.212 ----- 0.896 -0.340 -0.367 0.317 RESID 158 (I): -3.955 ----- -0.605 0.688 -0.985 -0.011 RESID 159 (D): -4.749 ----- -0.954 -0.406 1.936 0.180 RESID 160 (A): -0.043 ----- 0.581 -1.303 1.695 0.537 RESID 161 (A): 1.607 ----- -0.180 -0.578 -0.491 0.924 RESID 162 (F): 2.456 ----- -2.112 -3.749 0.603 0.509 RESID 163 (Q): 1.225 ----- -0.310 -0.090 1.240 -0.419 RESID 164 (D): 1.130 ----- -1.465 1.038 0.301 -0.151 RESID 165 (E): 5.759 ----- -0.441 0.080 0.171 -0.180 RESID 166 (V): 1.207 ----- 0.982 0.070 -0.242 0.514 RESID 167 (A): 3.160 ----- 3.398 0.254 -0.148 0.688 RESID 168 (A): -0.884 ----- 0.066 -0.368 0.305 0.448 RESID 169 (S): -1.033 ----- -0.478 -1.503 0.397 -0.102 RESID 170 (E): -4.529 ----- 1.546 -0.431 0.727 0.996 RESID 171 (G): -1.286 ----- -1.307 -0.277 ----- 0.824 RESID 172 (F): -2.430 ----- -2.516 -0.449 1.652 -1.039 RESID 173 (L): -0.044 ----- 0.692 0.775 -1.820 0.941 RESID 174 (K): -1.794 ----- 0.492 -0.819 -0.888 0.420 RESID 175 (Q): 1.860 ----- 2.001 0.244 -3.075 -0.131 RESID 176 (P): ----- ----- 1.591 0.702 -0.985 ----- RESID 177 (V): -4.932 ----- -1.859 -2.996 -0.348 -0.270 RESID 178 (G): 4.231 ----- 0.103 -1.983 ----- -0.468 RESID 179 (K): 1.743 ----- -0.551 -0.097 -1.049 -0.266 RESID 180 (D): 0.123 ----- -1.921 -1.951 -1.571 0.483 RESID 181 (Y): 5.534 ----- -1.160 0.186 -0.443 0.388 RESID 182 (K): -1.792 ----- 0.618 -2.116 2.286 0.661 RESID 183 (F): -4.308 ----- 2.810 -1.319 -4.543 0.602 RESID 184 (G): 4.324 ----- -1.405 1.881 ----- 0.251 RESID 185 (G): 0.792 ----- -1.806 -1.029 ----- -0.781 RESID 186 (P): ----- ----- -0.705 -2.535 0.788 ----- RESID 187 (S): -6.177 ----- -0.175 0.459 -2.530 0.093 RESID 188 (V): 1.078 ----- 0.163 0.014 -1.474 1.156 RESID 189 (K): 3.360 ----- 2.615 -1.579 -0.636 -0.050 RESID 190 (D): -1.791 ----- -1.583 2.167 2.204 0.525 RESID 191 (E): 2.500 ----- -0.249 0.861 -1.104 0.397 RESID 192 (K): -1.286 ----- 0.091 -0.784 -0.456 -0.846 RESID 193 (L): -0.380 ----- -0.622 -1.145 0.419 1.160 RESID 194 (F): 1.587 ----- 2.340 -2.541 -1.900 0.678 RESID 195 (G): -1.937 ----- 0.324 -0.882 ----- -0.166 RESID 196 (V): -11.130 ----- -0.690 -3.518 -1.537 -0.231 RESID 197 (G): 3.045 ----- 0.089 -2.080 ----- 0.502 RESID 198 (T): -4.897 ----- -0.487 -0.364 -0.475 -0.049 RESID 199 (G): -4.554 ----- -0.842 -1.608 ----- 0.147 RESID 200 (M): 1.538 ----- 0.223 0.011 -1.596 -0.526 RESID 201 (G): 1.473 ----- -0.790 0.119 ----- 0.496 RESID 202 (L): -0.079 ----- 0.123 0.916 -0.121 0.162 RESID 203 (R): 1.419 ----- 2.495 1.644 -1.660 2.010 RESID 204 (K): -1.466 ----- 0.655 -0.156 -0.228 0.569 RESID 205 (E): -3.402 ----- -0.237 -1.054 -1.153 0.802 RESID 206 (D): 5.240 ----- 0.780 0.029 -1.164 -0.771 RESID 207 (N): -0.337 ----- -0.117 0.521 -0.075 -0.893 RESID 208 (E): 1.555 ----- 1.437 0.905 -1.818 0.447 RESID 209 (L): 2.468 ----- -1.109 -0.102 -1.160 0.517 RESID 210 (R): 0.303 ----- -0.782 0.199 0.090 -0.766 RESID 211 (E): -3.034 ----- 1.263 -0.118 -0.973 0.523 RESID 212 (A): 0.820 ----- 1.652 0.087 -0.966 0.552 RESID 213 (L): 1.502 ----- -1.246 -0.443 0.324 0.285 RESID 214 (N): 2.805 ----- 1.859 -0.613 -0.815 0.039 RESID 215 (K): 2.444 ----- -0.119 -0.300 -0.744 -0.350 RESID 216 (A): 0.424 ----- -0.023 -0.735 0.425 -0.388 RESID 217 (F): -0.628 ----- 0.225 1.171 -1.054 0.612 RESID 218 (A): 0.080 ----- 2.437 -0.403 -1.333 -0.219 RESID 219 (E): 0.936 ----- -0.414 -0.297 -1.162 0.097 RESID 220 (M): 2.670 ----- 0.338 -1.988 0.129 0.100 RESID 221 (R): 0.834 ----- 0.318 -0.396 -2.401 0.257 RESID 222 (A): 0.486 ----- 0.343 -0.400 -0.581 0.064 RESID 223 (D): 0.339 ----- 0.659 -0.157 -0.712 0.034 RESID 224 (G): -1.607 ----- -0.059 -1.251 ----- -0.244 RESID 225 (T): 5.272 ----- 0.422 -0.462 -1.950 -0.229 RESID 226 (Y): -0.203 ----- -0.919 0.221 0.080 0.388 RESID 227 (E): -0.496 ----- -0.499 -0.547 -0.324 -0.449 RESID 228 (K): -1.303 ----- 0.431 -0.233 -0.902 -0.816 RESID 229 (L): -0.288 ----- 0.489 -0.742 -0.356 -0.054 RESID 230 (A): -0.895 ----- 1.271 -0.634 -0.156 0.555 RESID 231 (K): -0.734 ----- -0.421 -1.394 -1.022 -0.004 RESID 232 (K): 0.888 ----- -2.365 -0.726 -1.401 -0.369 RESID 233 (Y): -3.015 ----- -0.637 -3.057 0.514 -0.967 RESID 234 (F): 2.976 ----- 2.368 -1.812 -1.516 -0.123 RESID 235 (D): 2.288 ----- -0.594 -0.736 0.163 0.251 RESID 236 (F): -6.532 ----- 0.002 -2.303 0.054 -0.660 RESID 237 (D): -2.349 ----- -1.283 0.395 -2.658 0.159 RESID 238 (V): 7.283 ----- -1.492 -3.252 0.664 -1.024 RESID 239 (Y): 5.483 ----- -2.128 1.111 0.125 -0.096 RESID 240 (G): -0.391 ----- -0.241 0.519 ----- -0.516 DATA CS_STAT_INFO N RMS: 2.920 ppm Count: 226 Average Difference: -0.139 +/- 2.923 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.286 ppm Count: 236 Average Difference: -0.104 +/- 1.284 ppm DATA CS_STAT_INFO CA RMS: 1.323 ppm Count: 236 Average Difference: 0.525 +/- 1.217 ppm DATA CS_STAT_INFO CB RMS: 2.451 ppm Count: 215 Average Difference: 0.508 +/- 2.403 ppm DATA CS_STAT_INFO HN RMS: 0.584 ppm Count: 226 Average Difference: -0.114 +/- 0.574 ppm ############################################################################ For conformer 16: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.205 0.095 RESID 5 (I): C 174.300 174.300 174.337 -0.037 RESID 5 (I): CA 57.710 57.710 59.759 -2.049 RESID 5 (I): CB 37.260 37.260 37.771 -0.511 RESID 5 (I): H 7.868 7.868 8.236 -0.368 RESID 6 (P): C 176.100 176.100 176.809 -0.709 RESID 6 (P): CA 62.180 62.180 62.795 -0.615 RESID 6 (P): CB 31.620 31.620 32.347 -0.727 RESID 7 (Q): N 119.200 119.200 119.540 -0.340 RESID 7 (Q): C 175.600 175.600 176.025 -0.425 RESID 7 (Q): CA 57.190 57.190 57.828 -0.638 RESID 7 (Q): CB 28.500 28.500 29.137 -0.637 RESID 7 (Q): H 8.380 8.380 8.685 -0.305 RESID 8 (N): N 116.300 116.300 114.325 1.975 RESID 8 (N): C 173.600 173.600 173.863 -0.263 RESID 8 (N): CA 51.720 51.720 52.363 -0.643 RESID 8 (N): CB 40.540 40.540 41.936 -1.396 RESID 8 (N): H 7.472 7.472 7.806 -0.334 RESID 9 (I): N 121.000 121.000 122.785 -1.785 RESID 9 (I): C 174.700 174.700 174.918 -0.218 RESID 9 (I): CA 59.480 59.480 60.097 -0.617 RESID 9 (I): CB 39.740 39.740 40.180 -0.440 RESID 9 (I): H 8.416 8.416 9.150 -0.734 RESID 10 (R): N 126.500 126.500 127.152 -0.652 RESID 10 (R): C 175.800 175.800 175.488 0.312 RESID 10 (R): CA 53.950 53.950 55.407 -1.457 RESID 10 (R): CB 30.670 30.670 31.307 -0.637 RESID 10 (R): H 9.098 9.098 8.521 0.577 RESID 11 (I): N 127.500 127.500 124.891 2.609 RESID 11 (I): C 175.600 175.600 175.099 0.501 RESID 11 (I): CA 59.480 59.480 59.400 0.080 RESID 11 (I): CB 37.460 37.460 41.702 -4.242 RESID 11 (I): H 9.279 9.279 9.095 0.184 RESID 12 (G): N 114.800 114.800 114.149 0.651 RESID 12 (G): C 171.700 171.700 173.022 -1.322 RESID 12 (G): CA 44.540 44.540 44.299 0.241 RESID 12 (G): H 9.382 9.382 8.535 0.847 RESID 13 (T): N 120.600 120.600 121.604 -1.004 RESID 13 (T): C 181.600 181.600 173.061 8.539 RESID 13 (T): CA 61.470 61.470 62.088 -0.618 RESID 13 (T): CB 69.970 69.970 71.750 -1.780 RESID 13 (T): H 8.594 8.594 7.994 0.600 RESID 14 (D): N 127.000 127.000 127.760 -0.760 RESID 14 (D): C 177.500 177.500 174.619 2.881 RESID 14 (D): CA 49.760 49.760 50.262 -0.502 RESID 14 (D): CB 40.580 40.580 42.374 -1.794 RESID 14 (D): H 8.200 8.200 8.675 -0.475 RESID 15 (P): C 175.400 175.400 176.484 -1.084 RESID 15 (P): CA 61.920 61.920 63.313 -1.393 RESID 15 (P): CB 27.890 27.890 32.361 -4.471 RESID 16 (T): N 116.200 116.200 111.365 4.835 RESID 16 (T): C 174.000 174.000 173.905 0.095 RESID 16 (T): CA 59.560 59.560 62.141 -2.581 RESID 16 (T): CB 68.650 68.650 70.023 -1.373 RESID 16 (T): H 8.739 8.739 8.241 0.498 RESID 17 (Y): N 125.800 125.800 121.795 4.005 RESID 17 (Y): C 175.200 175.200 175.644 -0.444 RESID 17 (Y): CA 54.180 54.180 56.153 -1.973 RESID 17 (Y): CB 38.700 38.700 38.544 0.156 RESID 17 (Y): H 8.943 8.943 8.075 0.868 RESID 18 (A): N 132.100 132.100 129.640 2.460 RESID 18 (A): C 176.000 176.000 176.477 -0.477 RESID 18 (A): CA 51.490 51.490 56.054 -4.564 RESID 18 (A): CB 16.070 16.070 16.247 -0.177 RESID 18 (A): H 8.945 8.945 8.918 0.027 RESID 19 (P): C 173.500 173.500 177.808 -4.308 RESID 19 (P): CA 62.890 62.890 65.243 -2.353 RESID 19 (P): CB 31.790 31.790 31.598 0.192 RESID 20 (F): N 125.100 125.100 117.238 7.862 RESID 20 (F): C 176.700 176.700 175.486 1.214 RESID 20 (F): CA 62.420 62.420 59.493 2.927 RESID 20 (F): CB 37.980 37.980 41.083 -3.103 RESID 20 (F): H 8.117 8.117 8.288 -0.171 RESID 21 (E): N 111.800 111.800 114.862 -3.062 RESID 21 (E): C 173.600 173.600 174.357 -0.757 RESID 21 (E): CA 54.400 54.400 55.312 -0.912 RESID 21 (E): CB 28.770 28.770 34.115 -5.345 RESID 21 (E): H 7.701 7.701 8.521 -0.820 RESID 22 (S): N 117.200 117.200 113.085 4.115 RESID 22 (S): C 171.500 171.500 172.283 -0.783 RESID 22 (S): CA 57.290 57.290 58.573 -1.283 RESID 22 (S): CB 62.940 62.940 64.152 -1.212 RESID 22 (S): H 8.750 8.750 8.308 0.442 RESID 23 (K): N 117.400 117.400 119.494 -2.094 RESID 23 (K): C 177.600 177.600 175.051 2.549 RESID 23 (K): CA 53.700 53.700 55.367 -1.667 RESID 23 (K): CB 33.330 33.330 35.087 -1.758 RESID 23 (K): H 8.238 8.238 8.250 -0.012 RESID 24 (N): N 122.400 122.400 121.171 1.229 RESID 24 (N): C 178.000 178.000 177.022 0.978 RESID 24 (N): CA 50.600 50.600 52.036 -1.436 RESID 24 (N): CB 38.140 38.140 40.041 -1.901 RESID 24 (N): H 8.584 8.584 8.605 -0.021 RESID 25 (S): C 175.400 175.400 175.400 0.000 RESID 25 (S): CA 60.970 60.970 60.950 0.020 RESID 25 (S): CB 62.410 62.410 62.565 -0.155 RESID 26 (Q): N 119.300 119.300 119.498 -0.198 RESID 26 (Q): C 176.200 176.200 176.770 -0.570 RESID 26 (Q): CA 55.180 55.180 55.567 -0.387 RESID 26 (Q): CB 28.260 28.260 28.718 -0.458 RESID 26 (Q): H 7.520 7.520 7.877 -0.357 RESID 27 (G): N 108.800 108.800 107.607 1.193 RESID 27 (G): C 173.700 173.700 173.987 -0.287 RESID 27 (G): CA 45.050 45.050 44.994 0.056 RESID 27 (G): H 8.169 8.169 7.796 0.373 RESID 28 (E): N 121.200 121.200 119.604 1.596 RESID 28 (E): C 175.800 175.800 175.556 0.244 RESID 28 (E): CA 54.490 54.490 55.870 -1.380 RESID 28 (E): CB 29.750 29.750 30.698 -0.949 RESID 28 (E): H 7.836 7.836 8.138 -0.302 RESID 29 (L): N 123.500 123.500 121.438 2.062 RESID 29 (L): C 176.400 176.400 175.333 1.067 RESID 29 (L): CA 54.310 54.310 53.912 0.398 RESID 29 (L): CB 41.180 41.180 43.245 -2.065 RESID 29 (L): H 8.281 8.281 8.283 -0.002 RESID 30 (V): N 118.200 118.200 122.484 -4.284 RESID 30 (V): C 175.300 175.300 173.445 1.855 RESID 30 (V): CA 58.360 58.360 60.007 -1.647 RESID 30 (V): CB 36.080 36.080 35.887 0.193 RESID 30 (V): H 8.900 8.900 7.619 1.281 RESID 31 (G): N 109.800 109.800 110.005 -0.205 RESID 31 (G): C 174.400 174.400 173.484 0.916 RESID 31 (G): CA 43.830 43.830 45.142 -1.312 RESID 31 (G): H 8.611 8.611 7.518 1.093 RESID 32 (F): N 119.900 119.900 122.608 -2.708 RESID 32 (F): C 177.900 177.900 175.873 2.027 RESID 32 (F): CA 59.800 59.800 60.656 -0.856 RESID 32 (F): CB 38.950 38.950 39.268 -0.318 RESID 32 (F): H 8.295 8.295 8.118 0.177 RESID 33 (D): N 116.500 116.500 118.974 -2.474 RESID 33 (D): C 179.100 179.100 178.118 0.982 RESID 33 (D): CA 56.180 56.180 56.239 -0.058 RESID 33 (D): CB 38.610 38.610 40.444 -1.834 RESID 33 (D): H 8.935 8.935 7.643 1.292 RESID 34 (I): N 118.800 118.800 119.849 -1.049 RESID 34 (I): C 178.000 178.000 177.947 0.053 RESID 34 (I): CA 60.950 60.950 64.305 -3.355 RESID 34 (I): CB 33.620 33.620 37.942 -4.322 RESID 34 (I): H 6.535 6.535 6.901 -0.366 RESID 35 (D): N 121.000 121.000 120.401 0.599 RESID 35 (D): C 180.300 180.300 178.686 1.614 RESID 35 (D): CA 57.100 57.100 57.421 -0.321 RESID 35 (D): CB 40.420 40.420 40.295 0.124 RESID 35 (D): H 8.536 8.536 7.825 0.711 RESID 36 (L): N 120.500 120.500 120.852 -0.352 RESID 36 (L): C 178.500 178.500 177.997 0.503 RESID 36 (L): CA 57.720 57.720 57.747 -0.027 RESID 36 (L): CB 42.230 42.230 41.584 0.645 RESID 36 (L): H 8.508 8.508 7.220 1.288 RESID 37 (A): N 120.200 120.200 121.789 -1.589 RESID 37 (A): C 178.600 178.600 179.579 -0.979 RESID 37 (A): CA 55.170 55.170 55.260 -0.090 RESID 37 (A): CB 17.340 17.340 18.463 -1.123 RESID 37 (A): H 8.383 8.383 7.648 0.735 RESID 38 (K): N 116.400 116.400 119.333 -2.933 RESID 38 (K): C 180.100 180.100 179.141 0.959 RESID 38 (K): CA 60.530 60.530 59.984 0.546 RESID 38 (K): CB 31.840 31.840 32.375 -0.535 RESID 38 (K): H 8.780 8.780 8.168 0.612 RESID 39 (E): N 121.500 121.500 119.389 2.111 RESID 39 (E): C 178.300 178.300 179.376 -1.076 RESID 39 (E): CA 58.430 58.430 59.315 -0.885 RESID 39 (E): CB 27.990 27.990 29.496 -1.506 RESID 39 (E): H 7.692 7.692 7.775 -0.083 RESID 40 (L): N 121.500 121.500 120.352 1.148 RESID 40 (L): C 178.700 178.700 178.805 -0.105 RESID 40 (L): CA 58.490 58.490 58.251 0.239 RESID 40 (L): CB 40.250 40.250 41.770 -1.520 RESID 40 (L): H 8.563 8.563 7.840 0.723 RESID 41 (C): N 115.700 115.700 118.482 -2.782 RESID 41 (C): C 175.800 175.800 177.467 -1.667 RESID 41 (C): CA 62.390 62.390 62.747 -0.357 RESID 41 (C): CB 46.860 46.860 25.451 21.409 RESID 41 (C): H 8.598 8.598 8.612 -0.014 RESID 42 (K): N 119.300 119.300 119.635 -0.335 RESID 42 (K): C 180.800 180.800 179.129 1.671 RESID 42 (K): CA 58.810 58.810 59.447 -0.637 RESID 42 (K): CB 31.430 31.430 32.355 -0.925 RESID 42 (K): H 7.490 7.490 8.030 -0.540 RESID 43 (R): N 119.500 119.500 117.974 1.526 RESID 43 (R): C 178.700 178.700 178.669 0.031 RESID 43 (R): CA 58.760 58.760 58.464 0.296 RESID 43 (R): CB 29.980 29.980 30.218 -0.238 RESID 43 (R): H 8.057 8.057 7.605 0.452 RESID 44 (I): N 111.800 111.800 117.527 -5.727 RESID 44 (I): C 175.000 175.000 175.833 -0.833 RESID 44 (I): CA 60.940 60.940 63.068 -2.128 RESID 44 (I): CB 36.630 36.630 38.198 -1.568 RESID 44 (I): H 7.765 7.765 8.429 -0.664 RESID 45 (N): N 118.800 118.800 115.745 3.055 RESID 45 (N): C 173.600 173.600 173.940 -0.340 RESID 45 (N): CA 53.670 53.670 54.627 -0.957 RESID 45 (N): CB 36.620 36.620 35.916 0.704 RESID 45 (N): H 7.752 7.752 8.067 -0.315 RESID 46 (T): N 112.800 112.800 105.710 7.090 RESID 46 (T): C 173.100 173.100 172.824 0.276 RESID 46 (T): CA 60.020 60.020 60.287 -0.267 RESID 46 (T): CB 70.500 70.500 71.853 -1.353 RESID 46 (T): H 7.920 7.920 7.927 -0.007 RESID 47 (Q): N 123.500 123.500 119.979 3.521 RESID 47 (Q): C 175.400 175.400 174.576 0.824 RESID 47 (Q): CA 54.550 54.550 55.099 -0.549 RESID 47 (Q): CB 28.670 28.670 30.504 -1.834 RESID 47 (Q): H 8.037 8.037 8.341 -0.304 RESID 48 (C): N 123.800 123.800 124.371 -0.571 RESID 48 (C): C 173.800 173.800 174.393 -0.593 RESID 48 (C): CA 53.170 53.170 57.897 -4.727 RESID 48 (C): CB 47.290 47.290 29.359 17.931 RESID 48 (C): H 8.881 8.881 8.680 0.201 RESID 49 (T): N 118.600 118.600 120.540 -1.940 RESID 49 (T): C 172.700 172.700 172.541 0.159 RESID 49 (T): CA 60.210 60.210 61.252 -1.042 RESID 49 (T): CB 70.980 70.980 71.078 -0.098 RESID 49 (T): H 8.324 8.324 8.814 -0.490 RESID 50 (F): N 123.800 123.800 125.909 -2.109 RESID 50 (F): C 175.800 175.800 175.939 -0.139 RESID 50 (F): CA 57.370 57.370 57.333 0.037 RESID 50 (F): CB 40.730 40.730 40.304 0.426 RESID 50 (F): H 8.982 8.982 8.617 0.365 RESID 51 (V): N 126.300 126.300 123.682 2.618 RESID 51 (V): C 174.700 174.700 174.721 -0.021 RESID 51 (V): CA 60.650 60.650 60.669 -0.019 RESID 51 (V): CB 33.700 33.700 35.423 -1.723 RESID 51 (V): H 9.271 9.271 9.069 0.202 RESID 52 (E): N 126.900 126.900 128.944 -2.044 RESID 52 (E): C 176.900 176.900 175.242 1.658 RESID 52 (E): CA 54.480 54.480 57.245 -2.765 RESID 52 (E): CB 29.350 29.350 30.406 -1.056 RESID 52 (E): H 8.617 8.617 8.771 -0.154 RESID 53 (N): N 127.100 127.100 120.717 6.383 RESID 53 (N): C 170.600 170.600 172.412 -1.812 RESID 53 (N): CA 51.220 51.220 51.454 -0.234 RESID 53 (N): CB 43.980 43.980 38.340 5.639 RESID 53 (N): H 8.917 8.917 8.235 0.682 RESID 54 (P): C 178.600 178.600 178.707 -0.107 RESID 54 (P): CA 61.650 61.650 62.348 -0.698 RESID 54 (P): CB 31.460 31.460 32.943 -1.483 RESID 55 (L): N 124.200 124.200 124.164 0.036 RESID 55 (L): C 179.600 179.600 178.718 0.882 RESID 55 (L): CA 58.130 58.130 59.221 -1.091 RESID 55 (L): CB 41.470 41.470 41.403 0.067 RESID 55 (L): H 9.096 9.096 8.757 0.339 RESID 56 (D): N 115.400 115.400 119.004 -3.604 RESID 56 (D): C 176.500 176.500 177.330 -0.830 RESID 56 (D): CA 56.080 56.080 56.863 -0.783 RESID 56 (D): CB 39.640 39.640 40.181 -0.541 RESID 56 (D): H 8.651 8.651 8.534 0.117 RESID 57 (A): N 120.400 120.400 119.837 0.563 RESID 57 (A): C 180.000 180.000 178.812 1.188 RESID 57 (A): CA 51.440 51.440 53.521 -2.081 RESID 57 (A): CB 19.170 19.170 19.660 -0.490 RESID 57 (A): H 8.079 8.079 8.338 -0.259 RESID 58 (L): N 122.300 122.300 120.924 1.376 RESID 58 (L): C 177.800 177.800 178.822 -1.022 RESID 58 (L): CA 58.960 58.960 58.161 0.799 RESID 58 (L): CB 40.150 40.150 41.878 -1.728 RESID 58 (L): H 7.783 7.783 8.120 -0.337 RESID 59 (I): N 119.600 119.600 119.506 0.094 RESID 59 (I): C 176.400 176.400 175.145 1.255 RESID 59 (I): CA 68.170 68.170 66.528 1.642 RESID 59 (I): CB 33.980 33.980 34.688 -0.708 RESID 59 (I): H 9.094 9.094 7.720 1.374 RESID 60 (P): C 180.100 180.100 179.278 0.822 RESID 60 (P): CA 65.890 65.890 66.445 -0.555 RESID 60 (P): CB 29.980 29.980 31.200 -1.220 RESID 61 (S): N 114.800 114.800 114.695 0.105 RESID 61 (S): C 175.500 175.500 176.639 -1.139 RESID 61 (S): CA 62.170 62.170 62.214 -0.044 RESID 61 (S): H 7.865 7.865 8.236 -0.371 RESID 62 (L): N 126.200 126.200 123.337 2.863 RESID 62 (L): C 181.000 181.000 179.116 1.884 RESID 62 (L): CA 57.400 57.400 57.692 -0.292 RESID 62 (L): CB 41.820 41.820 41.774 0.046 RESID 62 (L): H 8.296 8.296 8.196 0.100 RESID 63 (K): N 121.000 121.000 119.045 1.955 RESID 63 (K): C 178.000 178.000 177.914 0.086 RESID 63 (K): CA 59.500 59.500 59.168 0.332 RESID 63 (K): CB 30.770 30.770 32.472 -1.702 RESID 63 (K): H 8.461 8.461 7.758 0.704 RESID 64 (A): N 118.700 118.700 118.683 0.017 RESID 64 (A): C 176.200 176.200 176.673 -0.473 RESID 64 (A): CA 51.680 51.680 51.981 -0.301 RESID 64 (A): CB 18.140 18.140 18.581 -0.441 RESID 64 (A): H 7.686 7.686 7.954 -0.268 RESID 65 (K): N 112.200 112.200 114.017 -1.817 RESID 65 (K): C 176.000 176.000 176.466 -0.466 RESID 65 (K): CA 57.800 57.800 57.983 -0.183 RESID 65 (K): CB 27.730 27.730 29.909 -2.179 RESID 65 (K): H 7.751 7.751 7.678 0.073 RESID 66 (K): N 118.300 118.300 115.406 2.894 RESID 66 (K): C 176.600 176.600 177.125 -0.525 RESID 66 (K): CA 57.200 57.200 58.446 -1.246 RESID 66 (K): CB 32.170 32.170 33.013 -0.843 RESID 66 (K): H 8.415 8.415 7.773 0.642 RESID 67 (I): N 107.500 107.500 112.501 -5.001 RESID 67 (I): C 174.000 174.000 175.400 -1.400 RESID 67 (I): CA 59.050 59.050 59.039 0.011 RESID 67 (I): CB 40.470 40.470 41.040 -0.570 RESID 67 (I): H 7.034 7.034 7.238 -0.204 RESID 68 (D): N 119.000 119.000 121.954 -2.954 RESID 68 (D): C 172.200 172.200 175.771 -3.571 RESID 68 (D): CA 55.560 55.560 55.396 0.164 RESID 68 (D): CB 44.210 44.210 42.592 1.618 RESID 68 (D): H 9.739 9.739 8.555 1.184 RESID 69 (A): N 117.400 117.400 118.089 -0.689 RESID 69 (A): C 175.900 175.900 174.848 1.052 RESID 69 (A): CA 50.120 50.120 51.164 -1.044 RESID 69 (A): CB 21.960 21.960 22.130 -0.170 RESID 69 (A): H 7.660 7.660 7.660 -0.000 RESID 70 (I): N 120.500 120.500 120.775 -0.275 RESID 70 (I): C 174.500 174.500 174.424 0.076 RESID 70 (I): CA 60.060 60.060 60.663 -0.602 RESID 70 (I): CB 41.190 41.190 40.970 0.220 RESID 70 (I): H 9.402 9.402 8.046 1.356 RESID 71 (M): N 128.300 128.300 129.198 -0.898 RESID 71 (M): C 172.500 172.500 174.109 -1.609 RESID 71 (M): CA 53.040 53.040 54.948 -1.908 RESID 71 (M): CB 33.940 33.940 34.514 -0.574 RESID 71 (M): H 8.431 8.431 8.281 0.150 RESID 72 (S): N 122.700 122.700 121.216 1.484 RESID 72 (S): C 172.800 172.800 173.766 -0.966 RESID 72 (S): CA 57.630 57.630 56.694 0.936 RESID 72 (S): CB 64.590 64.590 65.161 -0.571 RESID 72 (S): H 8.717 8.717 8.644 0.073 RESID 73 (S): N 120.600 120.600 115.776 4.824 RESID 73 (S): C 174.900 174.900 174.784 0.116 RESID 73 (S): CA 58.590 58.590 59.567 -0.977 RESID 73 (S): CB 62.920 62.920 62.810 0.110 RESID 73 (S): H 8.570 8.570 8.642 -0.072 RESID 74 (L): N 120.700 120.700 123.821 -3.121 RESID 74 (L): C 175.300 175.300 176.054 -0.754 RESID 74 (L): CA 54.320 54.320 55.576 -1.256 RESID 74 (L): CB 42.350 42.350 42.812 -0.462 RESID 74 (L): H 8.678 8.678 7.475 1.203 RESID 75 (S): N 122.000 122.000 119.835 2.165 RESID 75 (S): C 174.500 174.500 173.681 0.819 RESID 75 (S): CA 59.250 59.250 56.899 2.351 RESID 75 (S): CB 63.060 63.060 64.776 -1.716 RESID 75 (S): H 8.142 8.142 7.869 0.273 RESID 76 (I): N 125.200 125.200 115.673 9.527 RESID 76 (I): C 175.500 175.500 174.543 0.957 RESID 76 (I): CA 61.340 61.340 59.583 1.757 RESID 76 (I): CB 35.790 35.790 39.673 -3.883 RESID 76 (I): H 8.307 8.307 8.241 0.066 RESID 77 (T): N 116.600 116.600 113.467 3.133 RESID 77 (T): C 174.800 174.800 175.068 -0.268 RESID 77 (T): CA 57.760 57.760 59.990 -2.230 RESID 77 (T): CB 71.570 71.570 72.292 -0.722 RESID 77 (T): H 6.513 6.513 7.529 -1.016 RESID 78 (E): N 124.500 124.500 124.971 -0.471 RESID 78 (E): C 179.500 179.500 177.891 1.609 RESID 78 (E): CA 59.140 59.140 60.864 -1.724 RESID 78 (E): CB 28.630 28.630 29.273 -0.644 RESID 78 (E): H 8.935 8.935 8.904 0.031 RESID 79 (K): N 118.400 118.400 118.297 0.103 RESID 79 (K): C 180.600 180.600 179.037 1.563 RESID 79 (K): CA 58.890 58.890 59.180 -0.290 RESID 79 (K): CB 31.610 31.610 32.302 -0.692 RESID 79 (K): H 8.415 8.415 8.367 0.048 RESID 80 (R): N 118.500 118.500 118.833 -0.333 RESID 80 (R): C 179.100 179.100 178.951 0.149 RESID 80 (R): CA 59.580 59.580 59.199 0.381 RESID 80 (R): CB 30.380 30.380 30.077 0.303 RESID 80 (R): H 7.678 7.678 7.401 0.277 RESID 81 (Q): N 119.000 119.000 119.747 -0.747 RESID 81 (Q): C 176.600 176.600 178.649 -2.049 RESID 81 (Q): CA 57.510 57.510 59.031 -1.521 RESID 81 (Q): CB 28.880 28.880 28.569 0.311 RESID 81 (Q): H 8.418 8.418 8.301 0.117 RESID 82 (Q): N 115.300 115.300 117.481 -2.181 RESID 82 (Q): C 177.400 177.400 177.965 -0.565 RESID 82 (Q): CA 57.280 57.280 58.385 -1.105 RESID 82 (Q): CB 27.950 27.950 28.506 -0.556 RESID 82 (Q): H 7.297 7.297 7.925 -0.628 RESID 83 (E): N 115.600 115.600 117.726 -2.126 RESID 83 (E): C 176.400 176.400 177.290 -0.890 RESID 83 (E): CA 56.950 56.950 58.365 -1.415 RESID 83 (E): CB 33.090 33.090 31.209 1.881 RESID 83 (E): H 7.627 7.627 7.925 -0.298 RESID 84 (I): N 115.100 115.100 111.867 3.233 RESID 84 (I): C 172.600 172.600 173.939 -1.339 RESID 84 (I): CA 59.380 59.380 58.897 0.483 RESID 84 (I): CB 40.830 40.830 41.532 -0.702 RESID 84 (I): H 8.275 8.275 7.971 0.304 RESID 85 (A): N 120.600 120.600 120.391 0.209 RESID 85 (A): C 175.000 175.000 175.271 -0.271 RESID 85 (A): CA 49.150 49.150 50.276 -1.127 RESID 85 (A): CB 22.280 22.280 21.421 0.859 RESID 85 (A): H 8.679 8.679 8.421 0.258 RESID 86 (F): N 115.500 115.500 119.145 -3.645 RESID 86 (F): C 178.800 178.800 175.816 2.984 RESID 86 (F): CA 55.850 55.850 56.922 -1.072 RESID 86 (F): CB 44.300 44.300 44.041 0.259 RESID 86 (F): H 8.283 8.283 8.622 -0.339 RESID 87 (T): N 108.200 108.200 114.966 -6.766 RESID 87 (T): C 174.700 174.700 173.799 0.901 RESID 87 (T): CA 61.930 61.930 61.143 0.787 RESID 87 (T): CB 72.740 72.740 70.094 2.646 RESID 87 (T): H 7.898 7.898 8.395 -0.497 RESID 88 (D): N 118.400 118.400 120.431 -2.031 RESID 88 (D): C 174.300 174.300 175.632 -1.332 RESID 88 (D): CA 55.030 55.030 55.788 -0.757 RESID 88 (D): CB 40.870 40.870 39.821 1.049 RESID 88 (D): H 8.789 8.789 8.806 -0.017 RESID 89 (K): N 118.100 118.100 116.603 1.497 RESID 89 (K): C 176.200 176.200 176.719 -0.519 RESID 89 (K): CA 55.570 55.570 57.279 -1.710 RESID 89 (K): CB 31.850 31.850 31.538 0.312 RESID 89 (K): H 7.666 7.666 7.689 -0.023 RESID 90 (L): N 123.400 123.400 126.339 -2.939 RESID 90 (L): C 178.000 178.000 177.759 0.241 RESID 90 (L): CA 54.450 54.450 57.334 -2.884 RESID 90 (L): CB 41.710 41.710 43.310 -1.600 RESID 90 (L): H 8.778 8.778 8.760 0.018 RESID 91 (Y): N 110.500 110.500 110.061 0.439 RESID 91 (Y): C 172.600 172.600 173.669 -1.069 RESID 91 (Y): CA 56.070 56.070 55.579 0.491 RESID 91 (Y): CB 37.670 37.670 40.587 -2.917 RESID 91 (Y): H 6.810 6.810 7.214 -0.404 RESID 92 (A): N 123.100 123.100 122.558 0.542 RESID 92 (A): C 175.600 175.600 176.755 -1.155 RESID 92 (A): CA 51.940 51.940 51.084 0.856 RESID 92 (A): CB 20.320 20.320 19.590 0.730 RESID 92 (A): H 8.135 8.135 9.096 -0.961 RESID 93 (A): N 127.000 127.000 127.754 -0.754 RESID 93 (A): C 175.700 175.700 176.688 -0.988 RESID 93 (A): CA 51.020 51.020 50.696 0.324 RESID 93 (A): CB 18.310 18.310 18.316 -0.006 RESID 93 (A): H 8.658 8.658 8.374 0.284 RESID 94 (D): N 122.900 122.900 121.778 1.122 RESID 94 (D): C 175.300 175.300 176.133 -0.833 RESID 94 (D): CA 53.910 53.910 55.156 -1.246 RESID 94 (D): CB 42.030 42.030 42.266 -0.236 RESID 94 (D): H 8.497 8.497 7.739 0.758 RESID 95 (S): N 110.300 110.300 112.161 -1.861 RESID 95 (S): C 171.600 171.600 173.069 -1.469 RESID 95 (S): CA 57.850 57.850 57.375 0.475 RESID 95 (S): CB 66.410 66.410 66.520 -0.110 RESID 95 (S): H 6.844 6.844 7.877 -1.033 RESID 96 (R): N 124.300 124.300 119.756 4.544 RESID 96 (R): C 173.700 173.700 173.836 -0.136 RESID 96 (R): CA 57.450 57.450 55.895 1.555 RESID 96 (R): CB 34.070 34.070 34.354 -0.284 RESID 96 (R): H 9.227 9.227 8.765 0.462 RESID 97 (L): N 124.100 124.100 125.045 -0.945 RESID 97 (L): C 177.600 177.600 175.926 1.674 RESID 97 (L): CA 54.150 54.150 53.821 0.329 RESID 97 (L): CB 42.640 42.640 44.411 -1.771 RESID 97 (L): H 9.343 9.343 8.053 1.290 RESID 98 (V): N 124.500 124.500 123.700 0.800 RESID 98 (V): C 175.700 175.700 174.991 0.709 RESID 98 (V): CA 61.770 61.770 60.888 0.882 RESID 98 (V): CB 32.950 32.950 32.564 0.386 RESID 98 (V): H 9.500 9.500 8.030 1.470 RESID 99 (V): N 116.800 116.800 122.273 -5.473 RESID 99 (V): C 174.600 174.600 173.872 0.728 RESID 99 (V): CA 58.190 58.190 58.443 -0.253 RESID 99 (V): CB 36.780 36.780 35.559 1.222 RESID 99 (V): H 9.192 9.192 8.155 1.037 RESID 100 (A): N 123.400 123.400 122.566 0.834 RESID 100 (A): C 179.200 179.200 178.445 0.755 RESID 100 (A): CA 52.690 52.690 50.622 2.068 RESID 100 (A): CB 18.160 18.160 20.015 -1.855 RESID 100 (A): H 9.043 9.043 8.375 0.668 RESID 101 (K): N 119.600 119.600 123.643 -4.043 RESID 101 (K): C 176.800 176.800 177.015 -0.215 RESID 101 (K): CA 59.360 59.360 58.977 0.383 RESID 101 (K): CB 31.380 31.380 31.871 -0.491 RESID 101 (K): H 7.840 7.840 8.913 -1.073 RESID 102 (N): N 114.400 114.400 115.556 -1.156 RESID 102 (N): C 175.500 175.500 175.243 0.257 RESID 102 (N): CA 52.330 52.330 54.638 -2.308 RESID 102 (N): CB 36.990 36.990 38.609 -1.619 RESID 102 (N): H 7.941 7.941 8.177 -0.236 RESID 103 (S): N 114.800 114.800 114.652 0.148 RESID 103 (S): C 176.000 176.000 173.268 2.732 RESID 103 (S): CA 58.180 58.180 57.480 0.700 RESID 103 (S): CB 64.310 64.310 63.917 0.393 RESID 103 (S): H 7.700 7.700 7.618 0.082 RESID 104 (D): N 128.500 128.500 129.290 -0.790 RESID 104 (D): C 176.700 176.700 174.989 1.711 RESID 104 (D): CA 52.990 52.990 53.978 -0.988 RESID 104 (D): CB 40.330 40.330 40.923 -0.593 RESID 104 (D): H 8.548 8.548 8.545 0.003 RESID 105 (I): N 122.800 122.800 123.993 -1.193 RESID 105 (I): C 173.800 173.800 174.510 -0.710 RESID 105 (I): CA 63.580 63.580 60.377 3.203 RESID 105 (I): CB 37.490 37.490 40.499 -3.009 RESID 105 (I): H 7.826 7.826 8.156 -0.330 RESID 106 (Q): N 124.600 124.600 125.173 -0.573 RESID 106 (Q): C 174.700 174.700 174.017 0.683 RESID 106 (Q): CA 51.380 51.380 52.037 -0.657 RESID 106 (Q): CB 31.050 31.050 29.043 2.007 RESID 106 (Q): H 8.174 8.174 8.359 -0.185 RESID 107 (P): C 175.300 175.300 175.779 -0.479 RESID 107 (P): CA 61.880 61.880 63.670 -1.790 RESID 107 (P): CB 26.860 26.860 30.765 -3.905 RESID 108 (T): N 114.600 114.600 117.682 -3.082 RESID 108 (T): C 174.000 174.000 174.392 -0.392 RESID 108 (T): CA 57.690 57.690 61.597 -3.907 RESID 108 (T): CB 71.020 71.020 72.075 -1.055 RESID 108 (T): H 8.531 8.531 7.731 0.800 RESID 109 (V): N 121.800 121.800 123.573 -1.773 RESID 109 (V): C 177.300 177.300 176.928 0.372 RESID 109 (V): CA 65.600 65.600 64.762 0.838 RESID 109 (V): CB 30.580 30.580 32.769 -2.189 RESID 109 (V): H 8.775 8.775 8.491 0.284 RESID 110 (E): N 116.900 116.900 120.827 -3.927 RESID 110 (E): C 178.400 178.400 178.653 -0.253 RESID 110 (E): CA 59.260 59.260 60.143 -0.883 RESID 110 (E): CB 28.170 28.170 29.044 -0.874 RESID 110 (E): H 8.414 8.414 8.386 0.028 RESID 111 (S): N 113.200 113.200 113.447 -0.247 RESID 111 (S): C 176.500 176.500 175.921 0.579 RESID 111 (S): CA 59.370 59.370 60.991 -1.621 RESID 111 (S): CB 63.730 63.730 62.516 1.214 RESID 111 (S): H 7.387 7.387 8.439 -1.052 RESID 112 (L): N 116.100 116.100 120.380 -4.280 RESID 112 (L): C 176.700 176.700 176.693 0.007 RESID 112 (L): CA 54.580 54.580 55.361 -0.781 RESID 112 (L): CB 42.650 42.650 42.563 0.087 RESID 112 (L): H 7.676 7.676 7.322 0.354 RESID 113 (K): N 121.000 121.000 119.245 1.755 RESID 113 (K): C 178.200 178.200 177.500 0.700 RESID 113 (K): CA 58.850 58.850 58.233 0.617 RESID 113 (K): CB 30.850 30.850 32.240 -1.390 RESID 113 (K): H 7.445 7.445 7.756 -0.311 RESID 114 (G): N 113.900 113.900 112.945 0.955 RESID 114 (G): C 174.200 174.200 174.796 -0.596 RESID 114 (G): CA 45.240 45.240 45.367 -0.127 RESID 114 (G): H 8.454 8.454 8.354 0.100 RESID 115 (K): N 120.600 120.600 121.691 -1.091 RESID 115 (K): C 174.800 174.800 176.120 -1.320 RESID 115 (K): CA 53.710 53.710 54.759 -1.049 RESID 115 (K): CB 31.990 31.990 33.287 -1.297 RESID 115 (K): H 8.530 8.530 7.878 0.652 RESID 116 (R): N 119.300 119.300 120.823 -1.523 RESID 116 (R): C 176.000 176.000 175.684 0.316 RESID 116 (R): CA 54.720 54.720 55.701 -0.981 RESID 116 (R): CB 32.310 32.310 31.751 0.559 RESID 116 (R): H 9.455 9.455 8.450 1.005 RESID 117 (V): N 126.100 126.100 123.061 3.039 RESID 117 (V): C 175.300 175.300 174.714 0.586 RESID 117 (V): CA 60.090 60.090 60.186 -0.096 RESID 117 (V): CB 33.620 33.620 35.934 -2.314 RESID 117 (V): H 9.217 9.217 8.633 0.584 RESID 118 (G): N 114.000 114.000 113.411 0.589 RESID 118 (G): C 172.300 172.300 172.598 -0.298 RESID 118 (G): CA 45.010 45.010 43.575 1.435 RESID 118 (G): H 9.367 9.367 8.020 1.347 RESID 119 (V): N 116.400 116.400 122.528 -6.128 RESID 119 (V): C 174.100 174.100 174.040 0.060 RESID 119 (V): CA 58.270 58.270 60.447 -2.177 RESID 119 (V): CB 36.370 36.370 36.979 -0.609 RESID 119 (V): H 9.166 9.166 9.304 -0.138 RESID 120 (L): N 124.400 124.400 124.142 0.258 RESID 120 (L): C 176.900 176.900 175.667 1.233 RESID 120 (L): CA 53.690 53.690 53.974 -0.284 RESID 120 (L): CB 41.240 41.240 42.675 -1.435 RESID 120 (L): H 8.961 8.961 8.831 0.130 RESID 121 (Q): N 128.000 128.000 127.155 0.845 RESID 121 (Q): C 176.900 176.900 177.232 -0.332 RESID 121 (Q): CA 56.680 56.680 57.101 -0.421 RESID 121 (Q): CB 27.920 27.920 29.535 -1.615 RESID 121 (Q): H 9.305 9.305 8.995 0.310 RESID 122 (G): N 113.600 113.600 113.659 -0.059 RESID 122 (G): C 175.100 175.100 173.565 1.535 RESID 122 (G): CA 45.240 45.240 45.469 -0.229 RESID 122 (G): H 9.383 9.383 8.711 0.672 RESID 123 (T): N 108.400 108.400 110.173 -1.773 RESID 123 (T): C 176.800 176.800 174.405 2.395 RESID 123 (T): CA 60.260 60.260 60.013 0.247 RESID 123 (T): CB 73.530 73.530 70.626 2.904 RESID 123 (T): H 7.220 7.220 7.746 -0.526 RESID 124 (T): N 113.900 113.900 112.610 1.290 RESID 124 (T): C 178.100 178.100 176.527 1.573 RESID 124 (T): CA 63.990 63.990 64.719 -0.729 RESID 124 (T): CB 67.740 67.740 68.712 -0.972 RESID 124 (T): H 8.934 8.934 8.652 0.282 RESID 125 (Q): N 120.600 120.600 122.402 -1.802 RESID 125 (Q): C 178.300 178.300 178.100 0.200 RESID 125 (Q): CA 61.670 61.670 59.747 1.923 RESID 125 (Q): CB 25.310 25.310 28.040 -2.730 RESID 125 (Q): H 7.521 7.521 8.269 -0.748 RESID 126 (E): N 121.900 121.900 119.771 2.129 RESID 126 (E): C 177.600 177.600 178.893 -1.293 RESID 126 (E): CA 59.630 59.630 59.845 -0.215 RESID 126 (E): CB 28.730 28.730 29.640 -0.910 RESID 126 (E): H 7.717 7.717 7.805 -0.088 RESID 127 (T): N 117.800 117.800 116.213 1.587 RESID 127 (T): C 176.200 176.200 176.400 -0.200 RESID 127 (T): CA 66.340 66.340 66.808 -0.468 RESID 127 (T): CB 67.590 67.590 68.718 -1.128 RESID 127 (T): H 8.175 8.175 7.618 0.557 RESID 128 (F): N 121.900 121.900 122.008 -0.108 RESID 128 (F): C 178.000 178.000 177.533 0.467 RESID 128 (F): CA 61.590 61.590 60.751 0.839 RESID 128 (F): CB 38.810 38.810 38.918 -0.108 RESID 128 (F): H 8.882 8.882 8.630 0.252 RESID 129 (G): N 107.000 107.000 107.119 -0.119 RESID 129 (G): C 176.100 176.100 176.487 -0.387 RESID 129 (G): CA 46.690 46.690 47.215 -0.525 RESID 129 (G): H 8.900 8.900 9.175 -0.275 RESID 130 (N): N 123.000 123.000 118.463 4.537 RESID 130 (N): C 176.200 176.200 175.843 0.357 RESID 130 (N): CA 55.400 55.400 55.353 0.047 RESID 130 (N): CB 37.570 37.570 38.196 -0.626 RESID 130 (N): H 8.915 8.915 8.578 0.337 RESID 131 (E): N 119.000 119.000 116.740 2.260 RESID 131 (E): C 177.900 177.900 177.107 0.793 RESID 131 (E): CA 57.940 57.940 56.710 1.230 RESID 131 (E): CB 29.350 29.350 30.759 -1.409 RESID 131 (E): H 7.907 7.907 7.483 0.424 RESID 132 (H): N 112.600 112.600 118.644 -6.044 RESID 132 (H): C 175.900 175.900 175.555 0.345 RESID 132 (H): CA 56.910 56.910 58.796 -1.886 RESID 132 (H): CB 30.510 30.510 29.806 0.704 RESID 132 (H): H 7.877 7.877 7.884 -0.007 RESID 133 (W): N 119.300 119.300 117.468 1.832 RESID 133 (W): C 176.800 176.800 176.186 0.614 RESID 133 (W): CA 55.570 55.570 56.536 -0.966 RESID 133 (W): CB 30.400 30.400 29.729 0.671 RESID 133 (W): H 7.653 7.653 7.511 0.142 RESID 134 (A): N 125.400 125.400 124.643 0.757 RESID 134 (A): C 177.700 177.700 177.221 0.479 RESID 134 (A): CA 55.410 55.410 54.627 0.783 RESID 134 (A): CB 15.990 15.990 16.806 -0.816 RESID 134 (A): H 8.711 8.711 7.537 1.174 RESID 135 (P): C 177.200 177.200 177.438 -0.238 RESID 135 (P): CA 64.510 64.510 64.187 0.323 RESID 135 (P): CB 30.800 30.800 30.981 -0.181 RESID 136 (K): N 115.800 115.800 116.295 -0.495 RESID 136 (K): C 176.500 176.500 177.627 -1.127 RESID 136 (K): CA 53.530 53.530 55.920 -2.390 RESID 136 (K): CB 31.430 31.430 32.061 -0.631 RESID 136 (K): H 7.665 7.665 8.149 -0.484 RESID 137 (G): N 106.100 106.100 108.371 -2.271 RESID 137 (G): C 174.300 174.300 173.524 0.776 RESID 137 (G): CA 45.740 45.740 45.372 0.368 RESID 137 (G): H 7.864 7.864 7.665 0.199 RESID 138 (I): N 124.400 124.400 119.360 5.040 RESID 138 (I): C 174.400 174.400 174.786 -0.386 RESID 138 (I): CA 60.460 60.460 60.098 0.362 RESID 138 (I): CB 38.080 38.080 39.868 -1.788 RESID 138 (I): H 6.889 6.889 7.473 -0.584 RESID 139 (E): N 128.400 128.400 127.208 1.192 RESID 139 (E): C 173.900 173.900 175.096 -1.196 RESID 139 (E): CA 56.050 56.050 55.591 0.459 RESID 139 (E): CB 29.490 29.490 31.243 -1.753 RESID 139 (E): H 8.230 8.230 8.331 -0.101 RESID 140 (I): N 129.500 129.500 121.630 7.870 RESID 140 (I): C 176.100 176.100 174.764 1.336 RESID 140 (I): CA 57.100 57.100 59.024 -1.924 RESID 140 (I): CB 34.440 34.440 40.603 -6.163 RESID 140 (I): H 8.642 8.642 8.356 0.286 RESID 141 (V): N 133.000 133.000 125.226 7.774 RESID 141 (V): C 174.400 174.400 174.514 -0.114 RESID 141 (V): CA 61.060 61.060 61.154 -0.094 RESID 141 (V): CB 32.410 32.410 36.194 -3.784 RESID 141 (V): H 9.387 9.387 9.000 0.387 RESID 142 (S): N 122.900 122.900 120.107 2.793 RESID 142 (S): C 175.000 175.000 173.536 1.464 RESID 142 (S): CA 57.710 57.710 57.378 0.332 RESID 142 (S): CB 63.710 63.710 63.740 -0.030 RESID 142 (S): H 8.490 8.490 8.394 0.096 RESID 143 (Y): N 123.400 123.400 126.125 -2.725 RESID 143 (Y): C 175.900 175.900 176.386 -0.486 RESID 143 (Y): CA 57.300 57.300 57.717 -0.417 RESID 143 (Y): CB 42.300 42.300 41.316 0.984 RESID 143 (Y): H 8.979 8.979 9.285 -0.306 RESID 144 (Q): N 119.500 119.500 120.086 -0.586 RESID 144 (Q): C 176.000 176.000 174.903 1.097 RESID 144 (Q): CA 56.490 56.490 55.906 0.584 RESID 144 (Q): CB 28.470 28.470 29.857 -1.387 RESID 144 (Q): H 8.974 8.974 8.742 0.232 RESID 145 (G): N 106.800 106.800 107.336 -0.536 RESID 145 (G): C 173.500 173.500 174.160 -0.660 RESID 145 (G): CA 44.300 44.300 44.329 -0.029 RESID 145 (G): H 7.531 7.531 7.861 -0.330 RESID 146 (Q): N 124.300 124.300 122.907 1.393 RESID 146 (Q): C 177.200 177.200 177.344 -0.144 RESID 146 (Q): CA 57.800 57.800 58.807 -1.007 RESID 146 (Q): CB 28.190 28.190 28.633 -0.443 RESID 146 (Q): H 8.949 8.949 8.862 0.087 RESID 147 (D): N 117.900 117.900 117.351 0.549 RESID 147 (D): C 178.900 178.900 178.243 0.657 RESID 147 (D): CA 56.650 56.650 57.252 -0.602 RESID 147 (D): CB 38.890 38.890 39.796 -0.906 RESID 147 (D): H 8.746 8.746 8.761 -0.015 RESID 148 (N): N 117.500 117.500 117.788 -0.288 RESID 148 (N): C 176.700 176.700 177.340 -0.640 RESID 148 (N): CA 55.160 55.160 55.611 -0.451 RESID 148 (N): CB 38.700 38.700 38.106 0.594 RESID 148 (N): H 7.496 7.496 8.563 -1.067 RESID 149 (I): N 120.000 120.000 119.872 0.128 RESID 149 (I): C 177.400 177.400 177.526 -0.126 RESID 149 (I): CA 64.450 64.450 65.028 -0.578 RESID 149 (I): CB 35.900 35.900 37.570 -1.670 RESID 149 (I): H 6.793 6.793 7.173 -0.380 RESID 150 (Y): N 117.400 117.400 118.193 -0.793 RESID 150 (Y): C 178.800 178.800 178.050 0.750 RESID 150 (Y): CA 59.730 59.730 61.615 -1.885 RESID 150 (Y): CB 35.970 35.970 37.641 -1.671 RESID 150 (Y): H 6.897 6.897 7.383 -0.486 RESID 151 (S): N 117.000 117.000 114.944 2.056 RESID 151 (S): C 177.000 177.000 177.029 -0.029 RESID 151 (S): CA 61.300 61.300 61.692 -0.392 RESID 151 (S): CB 62.100 62.100 62.228 -0.128 RESID 151 (S): H 8.186 8.186 8.255 -0.069 RESID 152 (D): N 122.300 122.300 123.142 -0.842 RESID 152 (D): C 179.000 179.000 178.292 0.708 RESID 152 (D): CA 56.580 56.580 56.823 -0.243 RESID 152 (D): CB 38.240 38.240 40.405 -2.165 RESID 152 (D): H 7.541 7.541 7.697 -0.156 RESID 153 (L): N 124.100 124.100 121.303 2.797 RESID 153 (L): C 180.300 180.300 178.490 1.810 RESID 153 (L): CA 58.160 58.160 57.555 0.605 RESID 153 (L): CB 41.630 41.630 41.819 -0.189 RESID 153 (L): H 8.372 8.372 7.781 0.591 RESID 154 (T): N 111.900 111.900 113.267 -1.367 RESID 154 (T): C 176.700 176.700 175.366 1.334 RESID 154 (T): CA 63.920 63.920 65.409 -1.489 RESID 154 (T): CB 68.700 68.700 69.001 -0.302 RESID 154 (T): H 8.389 8.389 8.295 0.094 RESID 155 (A): N 121.800 121.800 120.149 1.651 RESID 155 (A): C 178.200 178.200 178.043 0.157 RESID 155 (A): CA 51.640 51.640 52.316 -0.676 RESID 155 (A): CB 18.990 18.990 19.448 -0.458 RESID 155 (A): H 7.444 7.444 7.077 0.367 RESID 156 (G): N 107.800 107.800 107.186 0.614 RESID 156 (G): C 175.100 175.100 175.355 -0.255 RESID 156 (G): CA 45.420 45.420 45.196 0.224 RESID 156 (G): H 7.921 7.921 7.928 -0.007 RESID 157 (R): N 119.000 119.000 119.135 -0.135 RESID 157 (R): C 176.600 176.600 175.713 0.887 RESID 157 (R): CA 57.260 57.260 57.562 -0.302 RESID 157 (R): CB 30.400 30.400 30.772 -0.372 RESID 157 (R): H 8.443 8.443 8.106 0.337 RESID 158 (I): N 108.900 108.900 112.970 -4.070 RESID 158 (I): C 173.700 173.700 174.315 -0.615 RESID 158 (I): CA 59.900 59.900 59.230 0.670 RESID 158 (I): CB 40.070 40.070 40.978 -0.908 RESID 158 (I): H 7.109 7.109 7.126 -0.017 RESID 159 (D): N 119.100 119.100 123.971 -4.871 RESID 159 (D): C 174.700 174.700 175.651 -0.951 RESID 159 (D): CA 55.900 55.900 56.352 -0.452 RESID 159 (D): CB 43.630 43.630 41.705 1.925 RESID 159 (D): H 8.737 8.737 8.542 0.195 RESID 160 (A): N 116.400 116.400 116.442 -0.042 RESID 160 (A): C 174.900 174.900 174.324 0.576 RESID 160 (A): CA 50.190 50.190 51.479 -1.289 RESID 160 (A): CB 23.030 23.030 21.379 1.651 RESID 160 (A): H 7.702 7.702 7.163 0.539 RESID 161 (A): N 123.400 123.400 121.834 1.566 RESID 161 (A): C 175.500 175.500 175.675 -0.175 RESID 161 (A): CA 49.730 49.730 50.282 -0.552 RESID 161 (A): CB 21.110 21.110 21.594 -0.484 RESID 161 (A): H 8.915 8.915 7.992 0.923 RESID 162 (F): N 125.100 125.100 122.581 2.519 RESID 162 (F): C 172.900 172.900 175.025 -2.125 RESID 162 (F): CA 54.500 54.500 58.233 -3.733 RESID 162 (F): CB 39.400 39.400 38.783 0.617 RESID 162 (F): H 8.971 8.971 8.509 0.462 RESID 163 (Q): N 124.600 124.600 123.384 1.216 RESID 163 (Q): C 173.400 173.400 173.705 -0.305 RESID 163 (Q): CA 53.550 53.550 53.642 -0.092 RESID 163 (Q): CB 34.390 34.390 33.137 1.253 RESID 163 (Q): H 7.904 7.904 8.303 -0.399 RESID 164 (D): N 122.300 122.300 121.251 1.049 RESID 164 (D): C 175.800 175.800 177.249 -1.449 RESID 164 (D): CA 55.540 55.540 54.434 1.106 RESID 164 (D): CB 42.370 42.370 42.063 0.307 RESID 164 (D): H 8.304 8.304 8.438 -0.134 RESID 165 (E): N 128.600 128.600 122.734 5.866 RESID 165 (E): C 177.700 177.700 178.116 -0.416 RESID 165 (E): CA 60.230 60.230 60.127 0.103 RESID 165 (E): CB 30.020 30.020 29.824 0.196 RESID 165 (E): H 8.605 8.605 8.760 -0.155 RESID 166 (V): N 120.100 120.100 118.852 1.248 RESID 166 (V): C 178.300 178.300 177.279 1.021 RESID 166 (V): CA 66.800 66.800 66.693 0.107 RESID 166 (V): CB 30.070 30.070 30.253 -0.183 RESID 166 (V): H 8.748 8.748 8.195 0.553 RESID 167 (A): N 123.200 123.200 120.042 3.158 RESID 167 (A): C 182.500 182.500 179.083 3.417 RESID 167 (A): CA 54.980 54.980 54.716 0.264 RESID 167 (A): CB 17.910 17.910 18.034 -0.124 RESID 167 (A): H 8.655 8.655 7.903 0.752 RESID 168 (A): N 121.300 121.300 122.159 -0.859 RESID 168 (A): C 179.800 179.800 179.729 0.071 RESID 168 (A): CA 54.180 54.180 54.540 -0.360 RESID 168 (A): CB 18.750 18.750 18.417 0.333 RESID 168 (A): H 8.349 8.349 7.877 0.472 RESID 169 (S): N 113.400 113.400 114.309 -0.909 RESID 169 (S): C 175.700 175.700 176.251 -0.551 RESID 169 (S): CA 61.050 61.050 62.837 -1.787 RESID 169 (S): CB 63.050 63.050 62.581 0.468 RESID 169 (S): H 8.058 8.058 8.167 -0.109 RESID 170 (E): N 115.600 115.600 119.735 -4.135 RESID 170 (E): C 178.800 178.800 177.376 1.424 RESID 170 (E): CA 57.610 57.610 57.860 -0.250 RESID 170 (E): CB 29.790 29.790 29.050 0.740 RESID 170 (E): H 8.824 8.824 7.838 0.986 RESID 171 (G): N 103.400 103.400 104.981 -1.581 RESID 171 (G): C 173.700 173.700 174.862 -1.162 RESID 171 (G): CA 44.970 44.970 45.211 -0.241 RESID 171 (G): H 8.154 8.154 7.376 0.778 RESID 172 (F): N 120.100 120.100 122.511 -2.411 RESID 172 (F): C 175.200 175.200 177.686 -2.486 RESID 172 (F): CA 60.690 60.690 61.141 -0.451 RESID 172 (F): CB 40.740 40.740 39.081 1.659 RESID 172 (F): H 7.297 7.297 8.340 -1.043 RESID 173 (L): N 117.800 117.800 117.749 0.051 RESID 173 (L): C 179.000 179.000 178.292 0.708 RESID 173 (L): CA 57.670 57.670 56.869 0.801 RESID 173 (L): CB 40.020 40.020 41.828 -1.808 RESID 173 (L): H 8.470 8.470 7.519 0.951 RESID 174 (K): N 114.600 114.600 116.440 -1.840 RESID 174 (K): C 176.900 176.900 176.352 0.548 RESID 174 (K): CA 56.450 56.450 57.278 -0.827 RESID 174 (K): CB 31.770 31.770 32.651 -0.881 RESID 174 (K): H 8.018 8.018 7.557 0.461 RESID 175 (Q): N 118.800 118.800 117.092 1.708 RESID 175 (Q): C 176.000 176.000 173.946 2.054 RESID 175 (Q): CA 52.510 52.510 52.212 0.298 RESID 175 (Q): CB 26.740 26.740 29.788 -3.048 RESID 175 (Q): H 7.151 7.151 7.281 -0.130 RESID 176 (P): C 179.300 179.300 177.330 1.970 RESID 176 (P): CA 66.100 66.100 65.424 0.676 RESID 176 (P): CB 30.720 30.720 31.530 -0.810 RESID 177 (V): N 112.300 112.300 117.266 -4.966 RESID 177 (V): C 175.900 175.900 177.891 -1.991 RESID 177 (V): CA 62.860 62.860 65.940 -3.080 RESID 177 (V): CB 30.660 30.660 30.578 0.082 RESID 177 (V): H 7.480 7.480 7.687 -0.207 RESID 178 (G): N 109.700 109.700 105.754 3.946 RESID 178 (G): C 175.000 175.000 174.790 0.210 RESID 178 (G): CA 44.080 44.080 46.247 -2.167 RESID 178 (G): H 7.173 7.173 7.911 -0.738 RESID 179 (K): N 120.900 120.900 119.075 1.825 RESID 179 (K): C 177.100 177.100 177.669 -0.569 RESID 179 (K): CA 58.360 58.360 58.453 -0.093 RESID 179 (K): CB 31.260 31.260 32.279 -1.019 RESID 179 (K): H 6.972 6.972 7.420 -0.448 RESID 180 (D): N 117.200 117.200 117.308 -0.108 RESID 180 (D): C 173.900 173.900 175.856 -1.956 RESID 180 (D): CA 53.920 53.920 55.858 -1.938 RESID 180 (D): CB 39.690 39.690 41.388 -1.698 RESID 180 (D): H 8.036 8.036 7.453 0.583 RESID 181 (Y): N 120.500 120.500 114.969 5.531 RESID 181 (Y): C 172.300 172.300 173.480 -1.180 RESID 181 (Y): CA 57.890 57.890 57.739 0.151 RESID 181 (Y): CB 41.860 41.860 42.344 -0.484 RESID 181 (Y): H 7.768 7.768 7.444 0.324 RESID 182 (K): N 116.900 116.900 118.733 -1.833 RESID 182 (K): C 174.900 174.900 174.281 0.619 RESID 182 (K): CA 54.330 54.330 56.450 -2.120 RESID 182 (K): CB 35.610 35.610 33.347 2.263 RESID 182 (K): H 9.497 9.497 8.841 0.655 RESID 183 (F): N 117.900 117.900 121.115 -3.215 RESID 183 (F): C 177.800 177.800 175.141 2.659 RESID 183 (F): CA 56.780 56.780 57.903 -1.123 RESID 183 (F): CB 38.320 38.320 42.952 -4.632 RESID 183 (F): H 8.470 8.470 8.129 0.341 RESID 184 (G): N 113.700 113.700 108.992 4.708 RESID 184 (G): C 173.300 173.300 174.872 -1.572 RESID 184 (G): CA 46.900 46.900 44.920 1.980 RESID 184 (G): H 9.107 9.107 8.817 0.290 RESID 185 (G): N 111.000 111.000 108.792 2.208 RESID 185 (G): C 171.100 171.100 172.853 -1.753 RESID 185 (G): CA 44.530 44.530 45.446 -0.916 RESID 185 (G): H 7.702 7.702 8.252 -0.550 RESID 186 (P): C 175.500 175.500 176.198 -0.698 RESID 186 (P): CA 61.920 61.920 64.454 -2.534 RESID 186 (P): CB 32.640 32.640 31.847 0.793 RESID 187 (S): N 113.500 113.500 119.610 -6.110 RESID 187 (S): C 173.500 173.500 173.671 -0.171 RESID 187 (S): CA 57.930 57.930 57.461 0.469 RESID 187 (S): CB 63.260 63.260 65.786 -2.526 RESID 187 (S): H 8.452 8.452 8.362 0.090 RESID 188 (V): N 123.300 123.300 122.233 1.067 RESID 188 (V): C 173.900 173.900 173.725 0.175 RESID 188 (V): CA 61.800 61.800 61.802 -0.002 RESID 188 (V): CB 32.680 32.680 34.142 -1.462 RESID 188 (V): H 9.080 9.080 7.917 1.163 RESID 189 (K): N 125.200 125.200 121.835 3.365 RESID 189 (K): C 176.700 176.700 174.068 2.632 RESID 189 (K): CA 54.680 54.680 56.246 -1.566 RESID 189 (K): CB 33.780 33.780 34.404 -0.624 RESID 189 (K): H 8.123 8.123 8.164 -0.041 RESID 190 (D): N 120.300 120.300 122.054 -1.754 RESID 190 (D): C 175.300 175.300 176.876 -1.576 RESID 190 (D): CA 55.610 55.610 53.409 2.201 RESID 190 (D): CB 42.620 42.620 40.448 2.172 RESID 190 (D): H 8.823 8.823 8.272 0.551 RESID 191 (E): N 129.100 129.100 126.563 2.537 RESID 191 (E): C 177.300 177.300 177.505 -0.205 RESID 191 (E): CA 59.310 59.310 58.398 0.912 RESID 191 (E): CB 28.420 28.420 29.490 -1.070 RESID 191 (E): H 9.239 9.239 8.854 0.385 RESID 192 (K): N 118.000 118.000 119.191 -1.191 RESID 192 (K): C 178.200 178.200 177.846 0.354 RESID 192 (K): CA 58.140 58.140 58.897 -0.757 RESID 192 (K): CB 31.690 31.690 32.186 -0.496 RESID 192 (K): H 7.918 7.918 8.593 -0.675 RESID 193 (L): N 118.200 118.200 118.031 0.169 RESID 193 (L): C 177.700 177.700 177.756 -0.056 RESID 193 (L): CA 55.790 55.790 56.944 -1.154 RESID 193 (L): CB 42.330 42.330 42.106 0.224 RESID 193 (L): H 8.362 8.362 7.127 1.235 RESID 194 (F): N 116.800 116.800 113.484 3.316 RESID 194 (F): C 178.200 178.200 175.894 2.306 RESID 194 (F): CA 54.620 54.620 57.400 -2.780 RESID 194 (F): CB 37.390 37.390 39.739 -2.349 RESID 194 (F): H 8.036 8.036 7.328 0.708 RESID 195 (G): N 106.900 106.900 108.859 -1.959 RESID 195 (G): C 174.200 174.200 174.570 -0.370 RESID 195 (G): CA 44.120 44.120 44.928 -0.808 RESID 195 (G): H 7.510 7.510 7.655 -0.145 RESID 196 (V): N 112.400 112.400 123.942 -11.542 RESID 196 (V): C 175.300 175.300 175.818 -0.518 RESID 196 (V): CA 60.720 60.720 63.983 -3.264 RESID 196 (V): CB 30.630 30.630 32.159 -1.529 RESID 196 (V): H 8.064 8.064 8.331 -0.267 RESID 197 (G): N 108.100 108.100 105.188 2.912 RESID 197 (G): C 172.300 172.300 172.001 0.299 RESID 197 (G): CA 43.210 43.210 45.255 -2.045 RESID 197 (G): H 7.788 7.788 7.247 0.541 RESID 198 (T): N 109.200 109.200 113.351 -4.151 RESID 198 (T): C 172.800 172.800 173.169 -0.369 RESID 198 (T): CA 59.090 59.090 59.334 -0.244 RESID 198 (T): CB 71.080 71.080 71.333 -0.253 RESID 198 (T): H 7.796 7.796 7.937 -0.141 RESID 199 (G): N 103.900 103.900 108.225 -4.325 RESID 199 (G): C 171.800 171.800 172.271 -0.471 RESID 199 (G): CA 43.840 43.840 45.638 -1.798 RESID 199 (G): H 7.928 7.928 7.863 0.065 RESID 200 (M): N 121.400 121.400 119.411 1.989 RESID 200 (M): C 176.200 176.200 176.029 0.171 RESID 200 (M): CA 55.260 55.260 54.824 0.436 RESID 200 (M): CB 33.390 33.390 35.630 -2.240 RESID 200 (M): H 7.971 7.971 8.244 -0.273 RESID 201 (G): N 112.200 112.200 110.387 1.813 RESID 201 (G): C 172.000 172.000 172.664 -0.664 RESID 201 (G): CA 44.540 44.540 44.288 0.252 RESID 201 (G): H 8.818 8.818 8.439 0.379 RESID 202 (L): N 124.700 124.700 124.884 -0.184 RESID 202 (L): C 176.000 176.000 175.939 0.061 RESID 202 (L): CA 53.740 53.740 52.828 0.912 RESID 202 (L): CB 46.010 46.010 46.008 0.002 RESID 202 (L): H 8.767 8.767 8.669 0.098 RESID 203 (R): N 121.600 121.600 120.066 1.534 RESID 203 (R): C 180.400 180.400 177.913 2.487 RESID 203 (R): CA 57.130 57.130 55.444 1.686 RESID 203 (R): CB 29.650 29.650 31.290 -1.640 RESID 203 (R): H 10.270 10.270 8.128 2.142 RESID 204 (K): N 123.200 123.200 124.423 -1.223 RESID 204 (K): C 178.200 178.200 177.671 0.529 RESID 204 (K): CA 59.570 59.570 59.682 -0.112 RESID 204 (K): CB 31.840 31.840 32.146 -0.306 RESID 204 (K): H 9.231 9.231 8.671 0.560 RESID 205 (E): N 113.800 113.800 117.097 -3.297 RESID 205 (E): C 177.700 177.700 177.898 -0.198 RESID 205 (E): CA 57.230 57.230 58.232 -1.002 RESID 205 (E): CB 27.770 27.770 28.900 -1.130 RESID 205 (E): H 9.026 9.026 8.229 0.797 RESID 206 (D): N 126.000 126.000 120.850 5.150 RESID 206 (D): C 177.300 177.300 176.506 0.794 RESID 206 (D): CA 53.710 53.710 53.660 0.050 RESID 206 (D): CB 37.530 37.530 38.695 -1.165 RESID 206 (D): H 7.253 7.253 8.042 -0.789 RESID 207 (N): N 120.100 120.100 120.455 -0.355 RESID 207 (N): C 176.900 176.900 177.007 -0.107 RESID 207 (N): CA 56.950 56.950 56.439 0.511 RESID 207 (N): CB 38.820 38.820 38.896 -0.076 RESID 207 (N): H 7.839 7.839 8.723 -0.884 RESID 208 (E): N 120.500 120.500 118.980 1.520 RESID 208 (E): C 179.900 179.900 178.469 1.431 RESID 208 (E): CA 59.870 59.870 58.980 0.890 RESID 208 (E): CB 27.630 27.630 29.447 -1.817 RESID 208 (E): H 8.776 8.776 8.329 0.447 RESID 209 (L): N 122.900 122.900 120.440 2.460 RESID 209 (L): C 177.100 177.100 178.211 -1.111 RESID 209 (L): CA 57.400 57.400 57.551 -0.151 RESID 209 (L): CB 40.660 40.660 41.841 -1.181 RESID 209 (L): H 8.366 8.366 7.862 0.504 RESID 210 (R): N 119.100 119.100 118.758 0.342 RESID 210 (R): C 177.400 177.400 178.228 -0.828 RESID 210 (R): CA 59.970 59.970 59.734 0.236 RESID 210 (R): CB 30.110 30.110 30.024 0.086 RESID 210 (R): H 7.582 7.582 8.324 -0.742 RESID 211 (E): N 116.200 116.200 119.257 -3.057 RESID 211 (E): C 179.800 179.800 178.534 1.266 RESID 211 (E): CA 59.150 59.150 59.262 -0.112 RESID 211 (E): CB 28.600 28.600 29.597 -0.997 RESID 211 (E): H 8.407 8.407 7.878 0.529 RESID 212 (A): N 123.500 123.500 122.687 0.813 RESID 212 (A): C 181.300 181.300 179.653 1.647 RESID 212 (A): CA 54.810 54.810 54.714 0.096 RESID 212 (A): CB 17.170 17.170 18.136 -0.966 RESID 212 (A): H 8.128 8.128 7.638 0.490 RESID 213 (L): N 121.200 121.200 119.615 1.585 RESID 213 (L): C 178.400 178.400 179.620 -1.220 RESID 213 (L): CA 57.710 57.710 58.198 -0.488 RESID 213 (L): CB 41.450 41.450 41.209 0.242 RESID 213 (L): H 8.364 8.364 8.057 0.307 RESID 214 (N): N 119.200 119.200 116.478 2.722 RESID 214 (N): C 179.700 179.700 177.855 1.845 RESID 214 (N): CA 55.260 55.260 55.883 -0.623 RESID 214 (N): CB 37.120 37.120 37.916 -0.796 RESID 214 (N): H 8.435 8.435 8.332 0.103 RESID 215 (K): N 123.800 123.800 121.325 2.475 RESID 215 (K): C 178.400 178.400 178.521 -0.121 RESID 215 (K): CA 59.090 59.090 59.398 -0.308 RESID 215 (K): CB 31.740 31.740 32.483 -0.743 RESID 215 (K): H 8.080 8.080 8.449 -0.369 RESID 216 (A): N 122.200 122.200 121.742 0.458 RESID 216 (A): C 179.500 179.500 179.513 -0.013 RESID 216 (A): CA 54.140 54.140 54.888 -0.748 RESID 216 (A): CB 18.700 18.700 18.269 0.431 RESID 216 (A): H 7.935 7.935 8.243 -0.308 RESID 217 (F): N 119.500 119.500 120.120 -0.620 RESID 217 (F): C 177.200 177.200 176.980 0.220 RESID 217 (F): CA 61.390 61.390 60.288 1.102 RESID 217 (F): CB 38.000 38.000 39.072 -1.072 RESID 217 (F): H 8.916 8.916 8.337 0.579 RESID 218 (A): N 121.300 121.300 121.207 0.093 RESID 218 (A): C 182.100 182.100 179.675 2.425 RESID 218 (A): CA 54.810 54.810 55.206 -0.396 RESID 218 (A): CB 16.650 16.650 17.991 -1.341 RESID 218 (A): H 7.956 7.956 8.159 -0.203 RESID 219 (E): N 120.000 120.000 119.043 0.957 RESID 219 (E): C 178.600 178.600 179.005 -0.405 RESID 219 (E): CA 59.040 59.040 59.311 -0.271 RESID 219 (E): CB 28.320 28.320 29.480 -1.160 RESID 219 (E): H 7.952 7.952 7.837 0.115 RESID 220 (M): N 120.900 120.900 118.147 2.753 RESID 220 (M): C 179.000 179.000 178.534 0.466 RESID 220 (M): CA 57.430 57.430 59.487 -2.057 RESID 220 (M): CB 32.620 32.620 32.447 0.173 RESID 220 (M): H 8.190 8.190 8.058 0.132 RESID 221 (R): N 119.200 119.200 118.348 0.852 RESID 221 (R): C 179.300 179.300 178.888 0.412 RESID 221 (R): CA 58.710 58.710 58.926 -0.216 RESID 221 (R): CB 27.480 27.480 29.859 -2.379 RESID 221 (R): H 7.762 7.762 7.517 0.245 RESID 222 (A): N 122.500 122.500 122.114 0.386 RESID 222 (A): C 179.300 179.300 178.932 0.368 RESID 222 (A): CA 54.180 54.180 54.627 -0.447 RESID 222 (A): CB 18.030 18.030 18.549 -0.519 RESID 222 (A): H 7.838 7.838 7.751 0.087 RESID 223 (D): N 115.100 115.100 114.670 0.430 RESID 223 (D): C 177.900 177.900 177.265 0.635 RESID 223 (D): CA 53.020 53.020 53.135 -0.115 RESID 223 (D): CB 39.570 39.570 40.412 -0.842 RESID 223 (D): H 8.091 8.091 7.988 0.103 RESID 224 (G): N 106.700 106.700 108.875 -2.175 RESID 224 (G): C 176.000 176.000 175.998 0.002 RESID 224 (G): CA 45.070 45.070 46.326 -1.256 RESID 224 (G): H 7.199 7.199 7.462 -0.263 RESID 225 (T): N 122.400 122.400 117.160 5.240 RESID 225 (T): C 175.700 175.700 175.322 0.378 RESID 225 (T): CA 67.610 67.610 67.870 -0.260 RESID 225 (T): CB 66.840 66.840 68.755 -1.915 RESID 225 (T): H 9.095 9.095 8.750 0.345 RESID 226 (Y): N 121.500 121.500 121.691 -0.191 RESID 226 (Y): C 176.000 176.000 176.910 -0.910 RESID 226 (Y): CA 62.530 62.530 62.367 0.163 RESID 226 (Y): CB 38.410 38.410 38.330 0.080 RESID 226 (Y): H 8.040 8.040 7.641 0.399 RESID 227 (E): N 118.200 118.200 118.715 -0.515 RESID 227 (E): C 178.200 178.200 178.692 -0.492 RESID 227 (E): CA 58.940 58.940 59.480 -0.541 RESID 227 (E): CB 28.810 28.810 29.122 -0.312 RESID 227 (E): H 8.153 8.153 8.587 -0.434 RESID 228 (K): N 119.100 119.100 120.393 -1.293 RESID 228 (K): C 179.500 179.500 179.061 0.439 RESID 228 (K): CA 59.260 59.260 59.503 -0.243 RESID 228 (K): CB 31.520 31.520 32.415 -0.895 RESID 228 (K): H 7.558 7.558 8.390 -0.832 RESID 229 (L): N 119.100 119.100 119.359 -0.259 RESID 229 (L): C 179.300 179.300 178.834 0.466 RESID 229 (L): CA 56.970 56.970 57.709 -0.739 RESID 229 (L): CB 41.520 41.520 41.845 -0.325 RESID 229 (L): H 8.055 8.055 8.070 -0.015 RESID 230 (A): N 121.200 121.200 122.127 -0.927 RESID 230 (A): C 180.500 180.500 179.257 1.243 RESID 230 (A): CA 54.890 54.890 55.542 -0.652 RESID 230 (A): CB 17.570 17.570 17.739 -0.169 RESID 230 (A): H 8.901 8.901 8.320 0.581 RESID 231 (K): N 117.200 117.200 117.992 -0.792 RESID 231 (K): C 177.700 177.700 178.149 -0.449 RESID 231 (K): CA 57.370 57.370 58.786 -1.416 RESID 231 (K): CB 31.330 31.330 32.360 -1.030 RESID 231 (K): H 8.062 8.062 8.098 -0.036 RESID 232 (K): N 117.600 117.600 116.711 0.889 RESID 232 (K): C 176.800 176.800 179.191 -2.391 RESID 232 (K): CA 57.890 57.890 58.637 -0.747 RESID 232 (K): CB 31.150 31.150 32.562 -1.412 RESID 232 (K): H 7.053 7.053 7.459 -0.406 RESID 233 (Y): N 114.000 114.000 117.052 -3.052 RESID 233 (Y): C 175.100 175.100 175.783 -0.683 RESID 233 (Y): CA 58.110 58.110 61.234 -3.124 RESID 233 (Y): CB 39.360 39.360 38.946 0.414 RESID 233 (Y): H 7.013 7.013 8.023 -1.010 RESID 234 (F): N 116.400 116.400 113.502 2.898 RESID 234 (F): C 175.800 175.800 173.437 2.363 RESID 234 (F): CA 54.920 54.920 56.716 -1.796 RESID 234 (F): CB 41.260 41.260 42.815 -1.555 RESID 234 (F): H 8.038 8.038 8.196 -0.158 RESID 235 (D): N 123.000 123.000 121.056 1.944 RESID 235 (D): C 174.500 174.500 174.844 -0.344 RESID 235 (D): CA 52.680 52.680 53.324 -0.644 RESID 235 (D): CB 39.860 39.860 39.433 0.427 RESID 235 (D): H 8.879 8.879 8.560 0.319 RESID 236 (F): N 115.500 115.500 120.728 -5.228 RESID 236 (F): C 173.600 173.600 173.652 -0.052 RESID 236 (F): CA 53.950 53.950 56.705 -2.755 RESID 236 (F): CB 39.860 39.860 39.744 0.116 RESID 236 (F): H 6.793 6.793 7.424 -0.631 RESID 237 (D): N 119.700 119.700 121.922 -2.222 RESID 237 (D): C 175.800 175.800 177.127 -1.327 RESID 237 (D): CA 52.980 52.980 52.677 0.303 RESID 237 (D): CB 39.210 39.210 41.886 -2.676 RESID 237 (D): H 8.831 8.831 8.625 0.206 RESID 238 (V): N 129.900 129.900 122.497 7.403 RESID 238 (V): C 175.200 175.200 176.711 -1.511 RESID 238 (V): CA 61.840 61.840 65.079 -3.239 RESID 238 (V): CB 32.500 32.500 31.906 0.594 RESID 238 (V): H 7.376 7.376 8.338 -0.962 RESID 239 (Y): N 123.500 123.500 119.211 4.289 RESID 239 (Y): C 176.500 176.500 178.507 -2.007 RESID 239 (Y): CA 61.920 61.920 61.158 0.762 RESID 239 (Y): CB 38.010 38.010 37.726 0.284 RESID 239 (Y): H 8.314 8.314 7.808 0.506 RESID 240 (G): N 104.100 104.100 104.329 -0.229 RESID 240 (G): C 174.600 174.600 174.901 -0.301 RESID 240 (G): CA 45.930 45.930 45.326 0.604 RESID 240 (G): H 7.428 7.428 8.431 -1.003 N HA C CA CB H RESID 6 (P): ----- ----- -0.709 -0.615 -0.727 ----- RESID 7 (Q): -0.340 ----- -0.425 -0.638 -0.637 -0.305 RESID 8 (N): 1.975 ----- -0.263 -0.643 -1.396 -0.334 RESID 9 (I): -1.785 ----- -0.218 -0.617 -0.440 -0.734 RESID 10 (R): -0.652 ----- 0.312 -1.457 -0.637 0.577 RESID 11 (I): 2.609 ----- 0.501 0.080 -4.242 0.184 RESID 12 (G): 0.651 ----- -1.322 0.241 ----- 0.847 RESID 13 (T): -1.004 ----- 8.539 -0.618 -1.780 0.600 RESID 14 (D): -0.760 ----- 2.881 -0.502 -1.794 -0.475 RESID 15 (P): ----- ----- -1.084 -1.393 -4.471 ----- RESID 16 (T): 4.835 ----- 0.095 -2.581 -1.373 0.498 RESID 17 (Y): 4.005 ----- -0.444 -1.973 0.156 0.868 RESID 18 (A): 2.460 ----- -0.477 -4.564 -0.177 0.027 RESID 19 (P): ----- ----- -4.308 -2.353 0.192 ----- RESID 20 (F): 7.862 ----- 1.214 2.927 -3.103 -0.171 RESID 21 (E): -3.062 ----- -0.757 -0.912 -5.345 -0.820 RESID 22 (S): 4.115 ----- -0.783 -1.283 -1.212 0.442 RESID 23 (K): -2.094 ----- 2.549 -1.667 -1.758 -0.012 RESID 24 (N): 1.229 ----- 0.978 -1.436 -1.901 -0.021 RESID 25 (S): ----- ----- 0.000 0.020 -0.155 ----- RESID 26 (Q): -0.198 ----- -0.570 -0.387 -0.458 -0.357 RESID 27 (G): 1.193 ----- -0.287 0.056 ----- 0.373 RESID 28 (E): 1.596 ----- 0.244 -1.380 -0.949 -0.302 RESID 29 (L): 2.062 ----- 1.067 0.398 -2.065 -0.002 RESID 30 (V): -4.284 ----- 1.855 -1.647 0.193 1.281 RESID 31 (G): -0.205 ----- 0.916 -1.312 ----- 1.093 RESID 32 (F): -2.708 ----- 2.027 -0.856 -0.318 0.177 RESID 33 (D): -2.474 ----- 0.982 -0.058 -1.834 1.292 RESID 34 (I): -1.049 ----- 0.053 -3.355 -4.322 -0.366 RESID 35 (D): 0.599 ----- 1.614 -0.321 0.124 0.711 RESID 36 (L): -0.352 ----- 0.503 -0.027 0.645 1.288 RESID 37 (A): -1.589 ----- -0.979 -0.090 -1.123 0.735 RESID 38 (K): -2.933 ----- 0.959 0.546 -0.535 0.612 RESID 39 (E): 2.111 ----- -1.076 -0.885 -1.506 -0.083 RESID 40 (L): 1.148 ----- -0.105 0.239 -1.520 0.723 RESID 41 (C): -2.782 ----- -1.667 -0.357 21.409 -0.014 RESID 42 (K): -0.335 ----- 1.671 -0.637 -0.925 -0.540 RESID 43 (R): 1.526 ----- 0.031 0.296 -0.238 0.452 RESID 44 (I): -5.727 ----- -0.833 -2.128 -1.568 -0.664 RESID 45 (N): 3.055 ----- -0.340 -0.957 0.704 -0.315 RESID 46 (T): 7.090 ----- 0.276 -0.267 -1.353 -0.007 RESID 47 (Q): 3.521 ----- 0.824 -0.549 -1.834 -0.304 RESID 48 (C): -0.571 ----- -0.593 -4.727 17.931 0.201 RESID 49 (T): -1.940 ----- 0.159 -1.042 -0.098 -0.490 RESID 50 (F): -2.109 ----- -0.139 0.037 0.426 0.365 RESID 51 (V): 2.618 ----- -0.021 -0.019 -1.723 0.202 RESID 52 (E): -2.044 ----- 1.658 -2.765 -1.056 -0.154 RESID 53 (N): 6.383 ----- -1.812 -0.234 5.639 0.682 RESID 54 (P): ----- ----- -0.107 -0.698 -1.483 ----- RESID 55 (L): 0.036 ----- 0.882 -1.091 0.067 0.339 RESID 56 (D): -3.604 ----- -0.830 -0.783 -0.541 0.117 RESID 57 (A): 0.563 ----- 1.188 -2.081 -0.490 -0.259 RESID 58 (L): 1.376 ----- -1.022 0.799 -1.728 -0.337 RESID 59 (I): 0.094 ----- 1.255 1.642 -0.708 1.374 RESID 60 (P): ----- ----- 0.822 -0.555 -1.220 ----- RESID 61 (S): 0.105 ----- -1.139 -0.044 ----- -0.371 RESID 62 (L): 2.863 ----- 1.884 -0.292 0.046 0.100 RESID 63 (K): 1.955 ----- 0.086 0.332 -1.702 0.704 RESID 64 (A): 0.017 ----- -0.473 -0.301 -0.441 -0.268 RESID 65 (K): -1.817 ----- -0.466 -0.183 -2.179 0.073 RESID 66 (K): 2.894 ----- -0.525 -1.246 -0.843 0.642 RESID 67 (I): -5.001 ----- -1.400 0.011 -0.570 -0.204 RESID 68 (D): -2.954 ----- -3.571 0.164 1.618 1.184 RESID 69 (A): -0.689 ----- 1.052 -1.044 -0.170 -0.000 RESID 70 (I): -0.275 ----- 0.076 -0.602 0.220 1.356 RESID 71 (M): -0.898 ----- -1.609 -1.908 -0.574 0.150 RESID 72 (S): 1.484 ----- -0.966 0.936 -0.571 0.073 RESID 73 (S): 4.824 ----- 0.116 -0.977 0.110 -0.072 RESID 74 (L): -3.121 ----- -0.754 -1.256 -0.462 1.203 RESID 75 (S): 2.165 ----- 0.819 2.351 -1.716 0.273 RESID 76 (I): 9.527 ----- 0.957 1.757 -3.883 0.066 RESID 77 (T): 3.133 ----- -0.268 -2.230 -0.722 -1.016 RESID 78 (E): -0.471 ----- 1.609 -1.724 -0.644 0.031 RESID 79 (K): 0.103 ----- 1.563 -0.290 -0.692 0.048 RESID 80 (R): -0.333 ----- 0.149 0.381 0.303 0.277 RESID 81 (Q): -0.747 ----- -2.049 -1.521 0.311 0.117 RESID 82 (Q): -2.181 ----- -0.565 -1.105 -0.556 -0.628 RESID 83 (E): -2.126 ----- -0.890 -1.415 1.881 -0.298 RESID 84 (I): 3.233 ----- -1.339 0.483 -0.702 0.304 RESID 85 (A): 0.209 ----- -0.271 -1.127 0.859 0.258 RESID 86 (F): -3.645 ----- 2.984 -1.072 0.259 -0.339 RESID 87 (T): -6.766 ----- 0.901 0.787 2.646 -0.497 RESID 88 (D): -2.031 ----- -1.332 -0.757 1.049 -0.017 RESID 89 (K): 1.497 ----- -0.519 -1.710 0.312 -0.023 RESID 90 (L): -2.939 ----- 0.241 -2.884 -1.600 0.018 RESID 91 (Y): 0.439 ----- -1.069 0.491 -2.917 -0.404 RESID 92 (A): 0.542 ----- -1.155 0.856 0.730 -0.961 RESID 93 (A): -0.754 ----- -0.988 0.324 -0.006 0.284 RESID 94 (D): 1.122 ----- -0.833 -1.246 -0.236 0.758 RESID 95 (S): -1.861 ----- -1.469 0.475 -0.110 -1.033 RESID 96 (R): 4.544 ----- -0.136 1.555 -0.284 0.462 RESID 97 (L): -0.945 ----- 1.674 0.329 -1.771 1.290 RESID 98 (V): 0.800 ----- 0.709 0.882 0.386 1.470 RESID 99 (V): -5.473 ----- 0.728 -0.253 1.222 1.037 RESID 100 (A): 0.834 ----- 0.755 2.068 -1.855 0.668 RESID 101 (K): -4.043 ----- -0.215 0.383 -0.491 -1.073 RESID 102 (N): -1.156 ----- 0.257 -2.308 -1.619 -0.236 RESID 103 (S): 0.148 ----- 2.732 0.700 0.393 0.082 RESID 104 (D): -0.790 ----- 1.711 -0.988 -0.593 0.003 RESID 105 (I): -1.193 ----- -0.710 3.203 -3.009 -0.330 RESID 106 (Q): -0.573 ----- 0.683 -0.657 2.007 -0.185 RESID 107 (P): ----- ----- -0.479 -1.790 -3.905 ----- RESID 108 (T): -3.082 ----- -0.392 -3.907 -1.055 0.800 RESID 109 (V): -1.773 ----- 0.372 0.838 -2.189 0.284 RESID 110 (E): -3.927 ----- -0.253 -0.883 -0.874 0.028 RESID 111 (S): -0.247 ----- 0.579 -1.621 1.214 -1.052 RESID 112 (L): -4.280 ----- 0.007 -0.781 0.087 0.354 RESID 113 (K): 1.755 ----- 0.700 0.617 -1.390 -0.311 RESID 114 (G): 0.955 ----- -0.596 -0.127 ----- 0.100 RESID 115 (K): -1.091 ----- -1.320 -1.049 -1.297 0.652 RESID 116 (R): -1.523 ----- 0.316 -0.981 0.559 1.005 RESID 117 (V): 3.039 ----- 0.586 -0.096 -2.314 0.584 RESID 118 (G): 0.589 ----- -0.298 1.435 ----- 1.347 RESID 119 (V): -6.128 ----- 0.060 -2.177 -0.609 -0.138 RESID 120 (L): 0.258 ----- 1.233 -0.284 -1.435 0.130 RESID 121 (Q): 0.845 ----- -0.332 -0.421 -1.615 0.310 RESID 122 (G): -0.059 ----- 1.535 -0.229 ----- 0.672 RESID 123 (T): -1.773 ----- 2.395 0.247 2.904 -0.526 RESID 124 (T): 1.290 ----- 1.573 -0.729 -0.972 0.282 RESID 125 (Q): -1.802 ----- 0.200 1.923 -2.730 -0.748 RESID 126 (E): 2.129 ----- -1.293 -0.215 -0.910 -0.088 RESID 127 (T): 1.587 ----- -0.200 -0.468 -1.128 0.557 RESID 128 (F): -0.108 ----- 0.467 0.839 -0.108 0.252 RESID 129 (G): -0.119 ----- -0.387 -0.525 ----- -0.275 RESID 130 (N): 4.537 ----- 0.357 0.047 -0.626 0.337 RESID 131 (E): 2.260 ----- 0.793 1.230 -1.409 0.424 RESID 132 (H): -6.044 ----- 0.345 -1.886 0.704 -0.007 RESID 133 (W): 1.832 ----- 0.614 -0.966 0.671 0.142 RESID 134 (A): 0.757 ----- 0.479 0.783 -0.816 1.174 RESID 135 (P): ----- ----- -0.238 0.323 -0.181 ----- RESID 136 (K): -0.495 ----- -1.127 -2.390 -0.631 -0.484 RESID 137 (G): -2.271 ----- 0.776 0.368 ----- 0.199 RESID 138 (I): 5.040 ----- -0.386 0.362 -1.788 -0.584 RESID 139 (E): 1.192 ----- -1.196 0.459 -1.753 -0.101 RESID 140 (I): 7.870 ----- 1.336 -1.924 -6.163 0.286 RESID 141 (V): 7.774 ----- -0.114 -0.094 -3.784 0.387 RESID 142 (S): 2.793 ----- 1.464 0.332 -0.030 0.096 RESID 143 (Y): -2.725 ----- -0.486 -0.417 0.984 -0.306 RESID 144 (Q): -0.586 ----- 1.097 0.584 -1.387 0.232 RESID 145 (G): -0.536 ----- -0.660 -0.029 ----- -0.330 RESID 146 (Q): 1.393 ----- -0.144 -1.007 -0.443 0.087 RESID 147 (D): 0.549 ----- 0.657 -0.602 -0.906 -0.015 RESID 148 (N): -0.288 ----- -0.640 -0.451 0.594 -1.067 RESID 149 (I): 0.128 ----- -0.126 -0.578 -1.670 -0.380 RESID 150 (Y): -0.793 ----- 0.750 -1.885 -1.671 -0.486 RESID 151 (S): 2.056 ----- -0.029 -0.392 -0.128 -0.069 RESID 152 (D): -0.842 ----- 0.708 -0.243 -2.165 -0.156 RESID 153 (L): 2.797 ----- 1.810 0.605 -0.189 0.591 RESID 154 (T): -1.367 ----- 1.334 -1.489 -0.302 0.094 RESID 155 (A): 1.651 ----- 0.157 -0.676 -0.458 0.367 RESID 156 (G): 0.614 ----- -0.255 0.224 ----- -0.007 RESID 157 (R): -0.135 ----- 0.887 -0.302 -0.372 0.337 RESID 158 (I): -4.070 ----- -0.615 0.670 -0.908 -0.017 RESID 159 (D): -4.871 ----- -0.951 -0.452 1.925 0.195 RESID 160 (A): -0.042 ----- 0.576 -1.289 1.651 0.539 RESID 161 (A): 1.566 ----- -0.175 -0.552 -0.484 0.923 RESID 162 (F): 2.519 ----- -2.125 -3.733 0.617 0.462 RESID 163 (Q): 1.216 ----- -0.305 -0.092 1.253 -0.399 RESID 164 (D): 1.049 ----- -1.449 1.106 0.307 -0.134 RESID 165 (E): 5.866 ----- -0.416 0.103 0.196 -0.155 RESID 166 (V): 1.248 ----- 1.021 0.107 -0.183 0.553 RESID 167 (A): 3.158 ----- 3.417 0.264 -0.124 0.752 RESID 168 (A): -0.859 ----- 0.071 -0.360 0.333 0.472 RESID 169 (S): -0.909 ----- -0.551 -1.787 0.468 -0.109 RESID 170 (E): -4.135 ----- 1.424 -0.250 0.740 0.986 RESID 171 (G): -1.581 ----- -1.162 -0.241 ----- 0.778 RESID 172 (F): -2.411 ----- -2.486 -0.451 1.659 -1.043 RESID 173 (L): 0.051 ----- 0.708 0.801 -1.808 0.951 RESID 174 (K): -1.840 ----- 0.548 -0.827 -0.881 0.461 RESID 175 (Q): 1.708 ----- 2.054 0.298 -3.048 -0.130 RESID 176 (P): ----- ----- 1.970 0.676 -0.810 ----- RESID 177 (V): -4.966 ----- -1.991 -3.080 0.082 -0.207 RESID 178 (G): 3.946 ----- 0.210 -2.167 ----- -0.738 RESID 179 (K): 1.825 ----- -0.569 -0.093 -1.019 -0.448 RESID 180 (D): -0.108 ----- -1.956 -1.938 -1.698 0.583 RESID 181 (Y): 5.531 ----- -1.180 0.151 -0.484 0.324 RESID 182 (K): -1.833 ----- 0.619 -2.120 2.263 0.655 RESID 183 (F): -3.215 ----- 2.659 -1.123 -4.632 0.341 RESID 184 (G): 4.708 ----- -1.572 1.980 ----- 0.290 RESID 185 (G): 2.208 ----- -1.753 -0.916 ----- -0.550 RESID 186 (P): ----- ----- -0.698 -2.534 0.793 ----- RESID 187 (S): -6.110 ----- -0.171 0.469 -2.526 0.090 RESID 188 (V): 1.067 ----- 0.175 -0.002 -1.462 1.163 RESID 189 (K): 3.365 ----- 2.632 -1.566 -0.624 -0.041 RESID 190 (D): -1.754 ----- -1.576 2.201 2.172 0.551 RESID 191 (E): 2.537 ----- -0.205 0.912 -1.070 0.385 RESID 192 (K): -1.191 ----- 0.354 -0.757 -0.496 -0.675 RESID 193 (L): 0.169 ----- -0.056 -1.154 0.224 1.235 RESID 194 (F): 3.316 ----- 2.306 -2.780 -2.349 0.708 RESID 195 (G): -1.959 ----- -0.370 -0.808 ----- -0.145 RESID 196 (V): -11.542 ----- -0.518 -3.264 -1.529 -0.267 RESID 197 (G): 2.912 ----- 0.299 -2.045 ----- 0.541 RESID 198 (T): -4.151 ----- -0.369 -0.244 -0.253 -0.141 RESID 199 (G): -4.325 ----- -0.471 -1.798 ----- 0.065 RESID 200 (M): 1.989 ----- 0.171 0.436 -2.240 -0.273 RESID 201 (G): 1.813 ----- -0.664 0.252 ----- 0.379 RESID 202 (L): -0.184 ----- 0.061 0.912 0.002 0.098 RESID 203 (R): 1.534 ----- 2.487 1.686 -1.640 2.142 RESID 204 (K): -1.223 ----- 0.529 -0.112 -0.306 0.560 RESID 205 (E): -3.297 ----- -0.198 -1.002 -1.130 0.797 RESID 206 (D): 5.150 ----- 0.794 0.050 -1.165 -0.789 RESID 207 (N): -0.355 ----- -0.107 0.511 -0.076 -0.884 RESID 208 (E): 1.520 ----- 1.431 0.890 -1.817 0.447 RESID 209 (L): 2.460 ----- -1.111 -0.151 -1.181 0.504 RESID 210 (R): 0.342 ----- -0.828 0.236 0.086 -0.742 RESID 211 (E): -3.057 ----- 1.266 -0.112 -0.997 0.529 RESID 212 (A): 0.813 ----- 1.647 0.096 -0.966 0.490 RESID 213 (L): 1.585 ----- -1.220 -0.488 0.242 0.307 RESID 214 (N): 2.722 ----- 1.845 -0.623 -0.796 0.103 RESID 215 (K): 2.475 ----- -0.121 -0.308 -0.743 -0.369 RESID 216 (A): 0.458 ----- -0.013 -0.748 0.431 -0.308 RESID 217 (F): -0.620 ----- 0.220 1.102 -1.072 0.579 RESID 218 (A): 0.093 ----- 2.425 -0.396 -1.341 -0.203 RESID 219 (E): 0.957 ----- -0.405 -0.271 -1.160 0.115 RESID 220 (M): 2.753 ----- 0.466 -2.057 0.173 0.132 RESID 221 (R): 0.852 ----- 0.412 -0.216 -2.379 0.245 RESID 222 (A): 0.386 ----- 0.368 -0.447 -0.519 0.087 RESID 223 (D): 0.430 ----- 0.635 -0.115 -0.842 0.103 RESID 224 (G): -2.175 ----- 0.002 -1.256 ----- -0.263 RESID 225 (T): 5.240 ----- 0.378 -0.260 -1.915 0.345 RESID 226 (Y): -0.191 ----- -0.910 0.163 0.080 0.399 RESID 227 (E): -0.515 ----- -0.492 -0.541 -0.312 -0.434 RESID 228 (K): -1.293 ----- 0.439 -0.243 -0.895 -0.832 RESID 229 (L): -0.259 ----- 0.466 -0.739 -0.325 -0.015 RESID 230 (A): -0.927 ----- 1.243 -0.652 -0.169 0.581 RESID 231 (K): -0.792 ----- -0.449 -1.416 -1.030 -0.036 RESID 232 (K): 0.889 ----- -2.391 -0.747 -1.412 -0.406 RESID 233 (Y): -3.052 ----- -0.683 -3.124 0.414 -1.010 RESID 234 (F): 2.898 ----- 2.363 -1.796 -1.555 -0.158 RESID 235 (D): 1.944 ----- -0.344 -0.644 0.427 0.319 RESID 236 (F): -5.228 ----- -0.052 -2.755 0.116 -0.631 RESID 237 (D): -2.222 ----- -1.327 0.303 -2.676 0.206 RESID 238 (V): 7.403 ----- -1.511 -3.239 0.594 -0.962 RESID 239 (Y): 4.289 ----- -2.007 0.762 0.284 0.506 RESID 240 (G): -0.229 ----- -0.301 0.604 ----- -1.003 DATA CS_STAT_INFO N RMS: 2.906 ppm Count: 226 Average Difference: -0.164 +/- 2.907 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.288 ppm Count: 236 Average Difference: -0.112 +/- 1.286 ppm DATA CS_STAT_INFO CA RMS: 1.331 ppm Count: 236 Average Difference: 0.523 +/- 1.226 ppm DATA CS_STAT_INFO CB RMS: 2.467 ppm Count: 215 Average Difference: 0.519 +/- 2.418 ppm DATA CS_STAT_INFO HN RMS: 0.580 ppm Count: 226 Average Difference: -0.124 +/- 0.568 ppm ############################################################################ For conformer 17: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.265 0.035 RESID 5 (I): C 174.300 174.300 174.342 -0.042 RESID 5 (I): CA 57.710 57.710 59.827 -2.117 RESID 5 (I): CB 37.260 37.260 37.773 -0.513 RESID 5 (I): H 7.868 7.868 8.227 -0.359 RESID 6 (P): C 176.100 176.100 176.819 -0.719 RESID 6 (P): CA 62.180 62.180 62.802 -0.622 RESID 6 (P): CB 31.620 31.620 32.348 -0.728 RESID 7 (Q): N 119.200 119.200 119.560 -0.360 RESID 7 (Q): C 175.600 175.600 176.052 -0.452 RESID 7 (Q): CA 57.190 57.190 57.836 -0.646 RESID 7 (Q): CB 28.500 28.500 29.146 -0.646 RESID 7 (Q): H 8.380 8.380 8.686 -0.306 RESID 8 (N): N 116.300 116.300 114.286 2.014 RESID 8 (N): C 173.600 173.600 173.863 -0.263 RESID 8 (N): CA 51.720 51.720 52.367 -0.647 RESID 8 (N): CB 40.540 40.540 41.993 -1.453 RESID 8 (N): H 7.472 7.472 7.832 -0.360 RESID 9 (I): N 121.000 121.000 122.414 -1.414 RESID 9 (I): C 174.700 174.700 174.833 -0.133 RESID 9 (I): CA 59.480 59.480 60.082 -0.602 RESID 9 (I): CB 39.740 39.740 40.292 -0.552 RESID 9 (I): H 8.416 8.416 9.147 -0.731 RESID 10 (R): N 126.500 126.500 127.428 -0.928 RESID 10 (R): C 175.800 175.800 175.051 0.749 RESID 10 (R): CA 53.950 53.950 55.431 -1.481 RESID 10 (R): CB 30.670 30.670 31.351 -0.681 RESID 10 (R): H 9.098 9.098 8.137 0.961 RESID 11 (I): N 127.500 127.500 124.180 3.320 RESID 11 (I): C 175.600 175.600 175.284 0.316 RESID 11 (I): CA 59.480 59.480 59.231 0.249 RESID 11 (I): CB 37.460 37.460 41.552 -4.092 RESID 11 (I): H 9.279 9.279 9.021 0.258 RESID 12 (G): N 114.800 114.800 114.475 0.325 RESID 12 (G): C 171.700 171.700 173.465 -1.765 RESID 12 (G): CA 44.540 44.540 44.389 0.151 RESID 12 (G): H 9.382 9.382 8.501 0.881 RESID 13 (T): N 120.600 120.600 122.261 -1.661 RESID 13 (T): C 181.600 181.600 173.264 8.336 RESID 13 (T): CA 61.470 61.470 61.753 -0.283 RESID 13 (T): CB 69.970 69.970 71.374 -1.404 RESID 13 (T): H 8.594 8.594 7.809 0.785 RESID 14 (D): N 127.000 127.000 127.628 -0.628 RESID 14 (D): C 177.500 177.500 174.384 3.116 RESID 14 (D): CA 49.760 49.760 50.191 -0.431 RESID 14 (D): CB 40.580 40.580 42.021 -1.441 RESID 14 (D): H 8.200 8.200 8.613 -0.413 RESID 15 (P): C 175.400 175.400 176.481 -1.081 RESID 15 (P): CA 61.920 61.920 63.312 -1.392 RESID 15 (P): CB 27.890 27.890 32.357 -4.467 RESID 16 (T): N 116.200 116.200 111.407 4.793 RESID 16 (T): C 174.000 174.000 173.917 0.083 RESID 16 (T): CA 59.560 59.560 62.138 -2.578 RESID 16 (T): CB 68.650 68.650 70.035 -1.385 RESID 16 (T): H 8.739 8.739 8.241 0.498 RESID 17 (Y): N 125.800 125.800 121.816 3.984 RESID 17 (Y): C 175.200 175.200 175.646 -0.446 RESID 17 (Y): CA 54.180 54.180 56.161 -1.981 RESID 17 (Y): CB 38.700 38.700 38.566 0.134 RESID 17 (Y): H 8.943 8.943 8.080 0.863 RESID 18 (A): N 132.100 132.100 129.668 2.432 RESID 18 (A): C 176.000 176.000 176.479 -0.479 RESID 18 (A): CA 51.490 51.490 56.060 -4.570 RESID 18 (A): CB 16.070 16.070 16.247 -0.177 RESID 18 (A): H 8.945 8.945 8.918 0.027 RESID 19 (P): C 173.500 173.500 177.799 -4.299 RESID 19 (P): CA 62.890 62.890 65.237 -2.347 RESID 19 (P): CB 31.790 31.790 31.602 0.188 RESID 20 (F): N 125.100 125.100 117.250 7.850 RESID 20 (F): C 176.700 176.700 175.488 1.212 RESID 20 (F): CA 62.420 62.420 59.498 2.922 RESID 20 (F): CB 37.980 37.980 41.098 -3.118 RESID 20 (F): H 8.117 8.117 8.294 -0.177 RESID 21 (E): N 111.800 111.800 114.867 -3.067 RESID 21 (E): C 173.600 173.600 174.354 -0.754 RESID 21 (E): CA 54.400 54.400 55.311 -0.911 RESID 21 (E): CB 28.770 28.770 34.121 -5.351 RESID 21 (E): H 7.701 7.701 8.526 -0.825 RESID 22 (S): N 117.200 117.200 113.078 4.122 RESID 22 (S): C 171.500 171.500 172.284 -0.784 RESID 22 (S): CA 57.290 57.290 58.573 -1.283 RESID 22 (S): CB 62.940 62.940 64.155 -1.215 RESID 22 (S): H 8.750 8.750 8.307 0.443 RESID 23 (K): N 117.400 117.400 119.512 -2.112 RESID 23 (K): C 177.600 177.600 175.046 2.554 RESID 23 (K): CA 53.700 53.700 55.373 -1.673 RESID 23 (K): CB 33.330 33.330 35.080 -1.750 RESID 23 (K): H 8.238 8.238 8.253 -0.015 RESID 24 (N): N 122.400 122.400 121.244 1.156 RESID 24 (N): C 178.000 178.000 177.030 0.970 RESID 24 (N): CA 50.600 50.600 52.045 -1.445 RESID 24 (N): CB 38.140 38.140 40.023 -1.883 RESID 24 (N): H 8.584 8.584 8.616 -0.032 RESID 25 (S): C 175.400 175.400 175.370 0.030 RESID 25 (S): CA 60.970 60.970 60.988 -0.018 RESID 25 (S): CB 62.410 62.410 62.604 -0.194 RESID 26 (Q): N 119.300 119.300 119.468 -0.168 RESID 26 (Q): C 176.200 176.200 176.739 -0.539 RESID 26 (Q): CA 55.180 55.180 55.543 -0.363 RESID 26 (Q): CB 28.260 28.260 28.709 -0.449 RESID 26 (Q): H 7.520 7.520 7.861 -0.341 RESID 27 (G): N 108.800 108.800 107.621 1.179 RESID 27 (G): C 173.700 173.700 173.981 -0.281 RESID 27 (G): CA 45.050 45.050 44.995 0.055 RESID 27 (G): H 8.169 8.169 7.806 0.363 RESID 28 (E): N 121.200 121.200 119.600 1.600 RESID 28 (E): C 175.800 175.800 175.544 0.256 RESID 28 (E): CA 54.490 54.490 55.853 -1.363 RESID 28 (E): CB 29.750 29.750 30.706 -0.956 RESID 28 (E): H 7.836 7.836 8.136 -0.300 RESID 29 (L): N 123.500 123.500 121.091 2.409 RESID 29 (L): C 176.400 176.400 175.963 0.437 RESID 29 (L): CA 54.310 54.310 53.842 0.468 RESID 29 (L): CB 41.180 41.180 43.171 -1.991 RESID 29 (L): H 8.281 8.281 8.276 0.005 RESID 30 (V): N 118.200 118.200 122.025 -3.825 RESID 30 (V): C 175.300 175.300 173.651 1.649 RESID 30 (V): CA 58.360 58.360 60.125 -1.765 RESID 30 (V): CB 36.080 36.080 36.192 -0.112 RESID 30 (V): H 8.900 8.900 7.832 1.068 RESID 31 (G): N 109.800 109.800 109.842 -0.042 RESID 31 (G): C 174.400 174.400 173.496 0.904 RESID 31 (G): CA 43.830 43.830 45.162 -1.332 RESID 31 (G): H 8.611 8.611 7.428 1.183 RESID 32 (F): N 119.900 119.900 122.577 -2.677 RESID 32 (F): C 177.900 177.900 175.882 2.018 RESID 32 (F): CA 59.800 59.800 60.542 -0.742 RESID 32 (F): CB 38.950 38.950 39.275 -0.325 RESID 32 (F): H 8.295 8.295 8.119 0.176 RESID 33 (D): N 116.500 116.500 118.947 -2.447 RESID 33 (D): C 179.100 179.100 178.112 0.988 RESID 33 (D): CA 56.180 56.180 56.244 -0.064 RESID 33 (D): CB 38.610 38.610 40.444 -1.835 RESID 33 (D): H 8.935 8.935 7.648 1.287 RESID 34 (I): N 118.800 118.800 119.883 -1.083 RESID 34 (I): C 178.000 178.000 177.945 0.055 RESID 34 (I): CA 60.950 60.950 64.299 -3.349 RESID 34 (I): CB 33.620 33.620 37.943 -4.323 RESID 34 (I): H 6.535 6.535 6.909 -0.374 RESID 35 (D): N 121.000 121.000 120.425 0.575 RESID 35 (D): C 180.300 180.300 178.726 1.574 RESID 35 (D): CA 57.100 57.100 57.464 -0.364 RESID 35 (D): CB 40.420 40.420 40.326 0.094 RESID 35 (D): H 8.536 8.536 7.789 0.747 RESID 36 (L): N 120.500 120.500 120.845 -0.345 RESID 36 (L): C 178.500 178.500 177.995 0.505 RESID 36 (L): CA 57.720 57.720 57.752 -0.032 RESID 36 (L): CB 42.230 42.230 41.587 0.643 RESID 36 (L): H 8.508 8.508 7.225 1.283 RESID 37 (A): N 120.200 120.200 121.753 -1.553 RESID 37 (A): C 178.600 178.600 179.573 -0.973 RESID 37 (A): CA 55.170 55.170 55.246 -0.076 RESID 37 (A): CB 17.340 17.340 18.456 -1.115 RESID 37 (A): H 8.383 8.383 7.655 0.728 RESID 38 (K): N 116.400 116.400 119.327 -2.927 RESID 38 (K): C 180.100 180.100 179.132 0.968 RESID 38 (K): CA 60.530 60.530 60.023 0.507 RESID 38 (K): CB 31.840 31.840 32.369 -0.529 RESID 38 (K): H 8.780 8.780 8.175 0.605 RESID 39 (E): N 121.500 121.500 119.406 2.094 RESID 39 (E): C 178.300 178.300 179.377 -1.077 RESID 39 (E): CA 58.430 58.430 59.320 -0.890 RESID 39 (E): CB 27.990 27.990 29.501 -1.511 RESID 39 (E): H 7.692 7.692 7.771 -0.079 RESID 40 (L): N 121.500 121.500 120.390 1.110 RESID 40 (L): C 178.700 178.700 178.817 -0.117 RESID 40 (L): CA 58.490 58.490 58.260 0.230 RESID 40 (L): CB 40.250 40.250 41.764 -1.514 RESID 40 (L): H 8.563 8.563 7.837 0.726 RESID 41 (C): N 115.700 115.700 118.445 -2.745 RESID 41 (C): C 175.800 175.800 177.464 -1.664 RESID 41 (C): CA 62.390 62.390 62.753 -0.363 RESID 41 (C): CB 46.860 46.860 25.455 21.405 RESID 41 (C): H 8.598 8.598 8.630 -0.032 RESID 42 (K): N 119.300 119.300 119.621 -0.321 RESID 42 (K): C 180.800 180.800 179.107 1.693 RESID 42 (K): CA 58.810 58.810 59.435 -0.625 RESID 42 (K): CB 31.430 31.430 32.356 -0.926 RESID 42 (K): H 7.490 7.490 8.047 -0.557 RESID 43 (R): N 119.500 119.500 117.943 1.557 RESID 43 (R): C 178.700 178.700 178.663 0.037 RESID 43 (R): CA 58.760 58.760 58.452 0.308 RESID 43 (R): CB 29.980 29.980 30.226 -0.246 RESID 43 (R): H 8.057 8.057 7.609 0.448 RESID 44 (I): N 111.800 111.800 117.526 -5.726 RESID 44 (I): C 175.000 175.000 175.827 -0.827 RESID 44 (I): CA 60.940 60.940 63.050 -2.110 RESID 44 (I): CB 36.630 36.630 38.201 -1.571 RESID 44 (I): H 7.765 7.765 8.412 -0.647 RESID 45 (N): N 118.800 118.800 115.727 3.073 RESID 45 (N): C 173.600 173.600 173.944 -0.344 RESID 45 (N): CA 53.670 53.670 54.627 -0.957 RESID 45 (N): CB 36.620 36.620 35.918 0.702 RESID 45 (N): H 7.752 7.752 8.062 -0.310 RESID 46 (T): N 112.800 112.800 105.788 7.012 RESID 46 (T): C 173.100 173.100 172.835 0.265 RESID 46 (T): CA 60.020 60.020 60.275 -0.255 RESID 46 (T): CB 70.500 70.500 71.865 -1.365 RESID 46 (T): H 7.920 7.920 7.931 -0.011 RESID 47 (Q): N 123.500 123.500 120.005 3.495 RESID 47 (Q): C 175.400 175.400 174.579 0.821 RESID 47 (Q): CA 54.550 54.550 55.103 -0.554 RESID 47 (Q): CB 28.670 28.670 30.476 -1.806 RESID 47 (Q): H 8.037 8.037 8.358 -0.321 RESID 48 (C): N 123.800 123.800 124.465 -0.665 RESID 48 (C): C 173.800 173.800 174.387 -0.587 RESID 48 (C): CA 53.170 53.170 57.901 -4.731 RESID 48 (C): CB 47.290 47.290 29.298 17.992 RESID 48 (C): H 8.881 8.881 8.687 0.194 RESID 49 (T): N 118.600 118.600 120.541 -1.941 RESID 49 (T): C 172.700 172.700 172.538 0.162 RESID 49 (T): CA 60.210 60.210 61.253 -1.043 RESID 49 (T): CB 70.980 70.980 71.101 -0.121 RESID 49 (T): H 8.324 8.324 8.880 -0.556 RESID 50 (F): N 123.800 123.800 125.903 -2.103 RESID 50 (F): C 175.800 175.800 175.945 -0.145 RESID 50 (F): CA 57.370 57.370 57.365 0.005 RESID 50 (F): CB 40.730 40.730 40.307 0.423 RESID 50 (F): H 8.982 8.982 8.636 0.346 RESID 51 (V): N 126.300 126.300 123.719 2.581 RESID 51 (V): C 174.700 174.700 174.708 -0.008 RESID 51 (V): CA 60.650 60.650 60.690 -0.040 RESID 51 (V): CB 33.700 33.700 35.365 -1.665 RESID 51 (V): H 9.271 9.271 9.142 0.129 RESID 52 (E): N 126.900 126.900 128.926 -2.026 RESID 52 (E): C 176.900 176.900 175.199 1.701 RESID 52 (E): CA 54.480 54.480 57.230 -2.750 RESID 52 (E): CB 29.350 29.350 30.404 -1.054 RESID 52 (E): H 8.617 8.617 8.776 -0.159 RESID 53 (N): N 127.100 127.100 120.617 6.483 RESID 53 (N): C 170.600 170.600 172.410 -1.810 RESID 53 (N): CA 51.220 51.220 51.552 -0.332 RESID 53 (N): CB 43.980 43.980 38.328 5.652 RESID 53 (N): H 8.917 8.917 8.223 0.694 RESID 54 (P): C 178.600 178.600 178.719 -0.119 RESID 54 (P): CA 61.650 61.650 62.346 -0.696 RESID 54 (P): CB 31.460 31.460 32.908 -1.448 RESID 55 (L): N 124.200 124.200 124.200 0.000 RESID 55 (L): C 179.600 179.600 178.720 0.880 RESID 55 (L): CA 58.130 58.130 59.231 -1.101 RESID 55 (L): CB 41.470 41.470 41.400 0.070 RESID 55 (L): H 9.096 9.096 8.762 0.334 RESID 56 (D): N 115.400 115.400 119.037 -3.637 RESID 56 (D): C 176.500 176.500 177.327 -0.827 RESID 56 (D): CA 56.080 56.080 56.864 -0.784 RESID 56 (D): CB 39.640 39.640 40.173 -0.533 RESID 56 (D): H 8.651 8.651 8.532 0.119 RESID 57 (A): N 120.400 120.400 119.916 0.484 RESID 57 (A): C 180.000 180.000 178.956 1.044 RESID 57 (A): CA 51.440 51.440 53.636 -2.196 RESID 57 (A): CB 19.170 19.170 19.653 -0.483 RESID 57 (A): H 8.079 8.079 8.332 -0.253 RESID 58 (L): N 122.300 122.300 121.067 1.233 RESID 58 (L): C 177.800 177.800 178.737 -0.937 RESID 58 (L): CA 58.960 58.960 58.078 0.882 RESID 58 (L): CB 40.150 40.150 41.873 -1.724 RESID 58 (L): H 7.783 7.783 8.120 -0.337 RESID 59 (I): N 119.600 119.600 119.639 -0.039 RESID 59 (I): C 176.400 176.400 175.204 1.196 RESID 59 (I): CA 68.170 68.170 65.922 2.248 RESID 59 (I): CB 33.980 33.980 34.571 -0.591 RESID 59 (I): H 9.094 9.094 7.791 1.303 RESID 60 (P): C 180.100 180.100 179.261 0.839 RESID 60 (P): CA 65.890 65.890 66.529 -0.639 RESID 60 (P): CB 29.980 29.980 31.250 -1.270 RESID 61 (S): N 114.800 114.800 114.944 -0.144 RESID 61 (S): C 175.500 175.500 176.689 -1.189 RESID 61 (S): CA 62.170 62.170 61.879 0.291 RESID 61 (S): H 7.865 7.865 8.242 -0.377 RESID 62 (L): N 126.200 126.200 123.102 3.098 RESID 62 (L): C 181.000 181.000 178.969 2.031 RESID 62 (L): CA 57.400 57.400 57.728 -0.328 RESID 62 (L): CB 41.820 41.820 41.780 0.040 RESID 62 (L): H 8.296 8.296 8.223 0.073 RESID 63 (K): N 121.000 121.000 119.027 1.973 RESID 63 (K): C 178.000 178.000 177.927 0.073 RESID 63 (K): CA 59.500 59.500 59.167 0.333 RESID 63 (K): CB 30.770 30.770 32.475 -1.705 RESID 63 (K): H 8.461 8.461 7.756 0.705 RESID 64 (A): N 118.700 118.700 118.694 0.006 RESID 64 (A): C 176.200 176.200 176.672 -0.472 RESID 64 (A): CA 51.680 51.680 51.977 -0.297 RESID 64 (A): CB 18.140 18.140 18.571 -0.431 RESID 64 (A): H 7.686 7.686 7.971 -0.285 RESID 65 (K): N 112.200 112.200 113.968 -1.768 RESID 65 (K): C 176.000 176.000 176.511 -0.511 RESID 65 (K): CA 57.800 57.800 58.000 -0.200 RESID 65 (K): CB 27.730 27.730 29.929 -2.199 RESID 65 (K): H 7.751 7.751 7.677 0.074 RESID 66 (K): N 118.300 118.300 115.438 2.862 RESID 66 (K): C 176.600 176.600 177.106 -0.506 RESID 66 (K): CA 57.200 57.200 58.442 -1.242 RESID 66 (K): CB 32.170 32.170 33.013 -0.843 RESID 66 (K): H 8.415 8.415 7.775 0.640 RESID 67 (I): N 107.500 107.500 112.504 -5.004 RESID 67 (I): C 174.000 174.000 175.374 -1.374 RESID 67 (I): CA 59.050 59.050 59.035 0.015 RESID 67 (I): CB 40.470 40.470 41.047 -0.577 RESID 67 (I): H 7.034 7.034 7.239 -0.205 RESID 68 (D): N 119.000 119.000 121.994 -2.994 RESID 68 (D): C 172.200 172.200 175.769 -3.569 RESID 68 (D): CA 55.560 55.560 55.340 0.220 RESID 68 (D): CB 44.210 44.210 42.652 1.558 RESID 68 (D): H 9.739 9.739 8.412 1.327 RESID 69 (A): N 117.400 117.400 118.290 -0.890 RESID 69 (A): C 175.900 175.900 174.852 1.048 RESID 69 (A): CA 50.120 50.120 51.139 -1.019 RESID 69 (A): CB 21.960 21.960 22.191 -0.231 RESID 69 (A): H 7.660 7.660 7.707 -0.047 RESID 70 (I): N 120.500 120.500 120.901 -0.401 RESID 70 (I): C 174.500 174.500 174.317 0.183 RESID 70 (I): CA 60.060 60.060 60.669 -0.609 RESID 70 (I): CB 41.190 41.190 41.026 0.164 RESID 70 (I): H 9.402 9.402 8.047 1.355 RESID 71 (M): N 128.300 128.300 128.841 -0.541 RESID 71 (M): C 172.500 172.500 174.011 -1.511 RESID 71 (M): CA 53.040 53.040 55.055 -2.015 RESID 71 (M): CB 33.940 33.940 34.006 -0.066 RESID 71 (M): H 8.431 8.431 8.253 0.178 RESID 72 (S): N 122.700 122.700 121.044 1.656 RESID 72 (S): C 172.800 172.800 173.806 -1.006 RESID 72 (S): CA 57.630 57.630 56.724 0.906 RESID 72 (S): CB 64.590 64.590 65.204 -0.614 RESID 72 (S): H 8.717 8.717 8.629 0.088 RESID 73 (S): N 120.600 120.600 115.816 4.784 RESID 73 (S): C 174.900 174.900 174.803 0.097 RESID 73 (S): CA 58.590 58.590 59.562 -0.972 RESID 73 (S): CB 62.920 62.920 62.822 0.098 RESID 73 (S): H 8.570 8.570 8.650 -0.080 RESID 74 (L): N 120.700 120.700 123.923 -3.223 RESID 74 (L): C 175.300 175.300 176.031 -0.731 RESID 74 (L): CA 54.320 54.320 55.601 -1.281 RESID 74 (L): CB 42.350 42.350 42.835 -0.485 RESID 74 (L): H 8.678 8.678 7.448 1.230 RESID 75 (S): N 122.000 122.000 119.802 2.198 RESID 75 (S): C 174.500 174.500 173.682 0.818 RESID 75 (S): CA 59.250 59.250 56.919 2.331 RESID 75 (S): CB 63.060 63.060 64.755 -1.695 RESID 75 (S): H 8.142 8.142 7.870 0.272 RESID 76 (I): N 125.200 125.200 115.712 9.488 RESID 76 (I): C 175.500 175.500 174.548 0.952 RESID 76 (I): CA 61.340 61.340 59.602 1.738 RESID 76 (I): CB 35.790 35.790 39.650 -3.860 RESID 76 (I): H 8.307 8.307 8.224 0.083 RESID 77 (T): N 116.600 116.600 113.518 3.082 RESID 77 (T): C 174.800 174.800 175.071 -0.271 RESID 77 (T): CA 57.760 57.760 60.004 -2.244 RESID 77 (T): CB 71.570 71.570 72.301 -0.731 RESID 77 (T): H 6.513 6.513 7.531 -1.018 RESID 78 (E): N 124.500 124.500 124.921 -0.421 RESID 78 (E): C 179.500 179.500 177.894 1.606 RESID 78 (E): CA 59.140 59.140 60.858 -1.718 RESID 78 (E): CB 28.630 28.630 29.273 -0.643 RESID 78 (E): H 8.935 8.935 8.911 0.024 RESID 79 (K): N 118.400 118.400 118.299 0.101 RESID 79 (K): C 180.600 180.600 179.034 1.566 RESID 79 (K): CA 58.890 58.890 59.191 -0.301 RESID 79 (K): CB 31.610 31.610 32.303 -0.693 RESID 79 (K): H 8.415 8.415 8.370 0.045 RESID 80 (R): N 118.500 118.500 118.824 -0.324 RESID 80 (R): C 179.100 179.100 178.958 0.142 RESID 80 (R): CA 59.580 59.580 59.197 0.383 RESID 80 (R): CB 30.380 30.380 30.075 0.305 RESID 80 (R): H 7.678 7.678 7.400 0.278 RESID 81 (Q): N 119.000 119.000 119.807 -0.807 RESID 81 (Q): C 176.600 176.600 178.855 -2.255 RESID 81 (Q): CA 57.510 57.510 59.152 -1.642 RESID 81 (Q): CB 28.880 28.880 28.542 0.338 RESID 81 (Q): H 8.418 8.418 8.335 0.083 RESID 82 (Q): N 115.300 115.300 117.257 -1.957 RESID 82 (Q): C 177.400 177.400 177.653 -0.253 RESID 82 (Q): CA 57.280 57.280 58.375 -1.095 RESID 82 (Q): CB 27.950 27.950 28.479 -0.528 RESID 82 (Q): H 7.297 7.297 7.915 -0.618 RESID 83 (E): N 115.600 115.600 117.155 -1.555 RESID 83 (E): C 176.400 176.400 177.245 -0.845 RESID 83 (E): CA 56.950 56.950 58.213 -1.263 RESID 83 (E): CB 33.090 33.090 31.424 1.665 RESID 83 (E): H 7.627 7.627 7.883 -0.256 RESID 84 (I): N 115.100 115.100 111.863 3.237 RESID 84 (I): C 172.600 172.600 173.929 -1.329 RESID 84 (I): CA 59.380 59.380 58.901 0.479 RESID 84 (I): CB 40.830 40.830 41.517 -0.687 RESID 84 (I): H 8.275 8.275 7.966 0.309 RESID 85 (A): N 120.600 120.600 120.384 0.216 RESID 85 (A): C 175.000 175.000 175.261 -0.261 RESID 85 (A): CA 49.150 49.150 50.274 -1.124 RESID 85 (A): CB 22.280 22.280 21.415 0.865 RESID 85 (A): H 8.679 8.679 8.425 0.254 RESID 86 (F): N 115.500 115.500 119.146 -3.646 RESID 86 (F): C 178.800 178.800 175.828 2.972 RESID 86 (F): CA 55.850 55.850 56.907 -1.057 RESID 86 (F): CB 44.300 44.300 44.037 0.263 RESID 86 (F): H 8.283 8.283 8.617 -0.334 RESID 87 (T): N 108.200 108.200 114.977 -6.777 RESID 87 (T): C 174.700 174.700 173.795 0.905 RESID 87 (T): CA 61.930 61.930 61.168 0.762 RESID 87 (T): CB 72.740 72.740 70.078 2.662 RESID 87 (T): H 7.898 7.898 8.392 -0.494 RESID 88 (D): N 118.400 118.400 120.433 -2.033 RESID 88 (D): C 174.300 174.300 175.633 -1.333 RESID 88 (D): CA 55.030 55.030 55.784 -0.754 RESID 88 (D): CB 40.870 40.870 39.819 1.051 RESID 88 (D): H 8.789 8.789 8.805 -0.016 RESID 89 (K): N 118.100 118.100 116.596 1.504 RESID 89 (K): C 176.200 176.200 176.700 -0.500 RESID 89 (K): CA 55.570 55.570 57.278 -1.708 RESID 89 (K): CB 31.850 31.850 31.530 0.320 RESID 89 (K): H 7.666 7.666 7.695 -0.029 RESID 90 (L): N 123.400 123.400 126.361 -2.961 RESID 90 (L): C 178.000 178.000 177.735 0.265 RESID 90 (L): CA 54.450 54.450 57.313 -2.864 RESID 90 (L): CB 41.710 41.710 43.322 -1.611 RESID 90 (L): H 8.778 8.778 8.758 0.020 RESID 91 (Y): N 110.500 110.500 110.057 0.443 RESID 91 (Y): C 172.600 172.600 173.679 -1.079 RESID 91 (Y): CA 56.070 56.070 55.564 0.506 RESID 91 (Y): CB 37.670 37.670 40.586 -2.916 RESID 91 (Y): H 6.810 6.810 7.203 -0.393 RESID 92 (A): N 123.100 123.100 122.585 0.515 RESID 92 (A): C 175.600 175.600 176.765 -1.165 RESID 92 (A): CA 51.940 51.940 51.117 0.823 RESID 92 (A): CB 20.320 20.320 19.574 0.746 RESID 92 (A): H 8.135 8.135 9.099 -0.964 RESID 93 (A): N 127.000 127.000 127.771 -0.771 RESID 93 (A): C 175.700 175.700 176.682 -0.982 RESID 93 (A): CA 51.020 51.020 50.714 0.306 RESID 93 (A): CB 18.310 18.310 18.337 -0.027 RESID 93 (A): H 8.658 8.658 8.376 0.282 RESID 94 (D): N 122.900 122.900 121.835 1.065 RESID 94 (D): C 175.300 175.300 176.122 -0.822 RESID 94 (D): CA 53.910 53.910 55.112 -1.202 RESID 94 (D): CB 42.030 42.030 42.298 -0.268 RESID 94 (D): H 8.497 8.497 7.740 0.757 RESID 95 (S): N 110.300 110.300 112.208 -1.908 RESID 95 (S): C 171.600 171.600 173.070 -1.470 RESID 95 (S): CA 57.850 57.850 57.421 0.429 RESID 95 (S): CB 66.410 66.410 66.510 -0.100 RESID 95 (S): H 6.844 6.844 7.884 -1.040 RESID 96 (R): N 124.300 124.300 119.769 4.531 RESID 96 (R): C 173.700 173.700 173.855 -0.155 RESID 96 (R): CA 57.450 57.450 55.905 1.545 RESID 96 (R): CB 34.070 34.070 34.352 -0.283 RESID 96 (R): H 9.227 9.227 8.840 0.387 RESID 97 (L): N 124.100 124.100 125.112 -1.012 RESID 97 (L): C 177.600 177.600 175.923 1.677 RESID 97 (L): CA 54.150 54.150 53.769 0.381 RESID 97 (L): CB 42.640 42.640 44.437 -1.796 RESID 97 (L): H 9.343 9.343 8.043 1.300 RESID 98 (V): N 124.500 124.500 123.195 1.305 RESID 98 (V): C 175.700 175.700 175.034 0.666 RESID 98 (V): CA 61.770 61.770 60.876 0.895 RESID 98 (V): CB 32.950 32.950 32.308 0.642 RESID 98 (V): H 9.500 9.500 7.996 1.504 RESID 99 (V): N 116.800 116.800 120.666 -3.866 RESID 99 (V): C 174.600 174.600 173.937 0.663 RESID 99 (V): CA 58.190 58.190 58.845 -0.655 RESID 99 (V): CB 36.780 36.780 35.751 1.029 RESID 99 (V): H 9.192 9.192 8.090 1.102 RESID 100 (A): N 123.400 123.400 122.520 0.880 RESID 100 (A): C 179.200 179.200 178.365 0.835 RESID 100 (A): CA 52.690 52.690 50.642 2.048 RESID 100 (A): CB 18.160 18.160 20.123 -1.963 RESID 100 (A): H 9.043 9.043 8.421 0.622 RESID 101 (K): N 119.600 119.600 123.656 -4.056 RESID 101 (K): C 176.800 176.800 176.992 -0.192 RESID 101 (K): CA 59.360 59.360 58.980 0.380 RESID 101 (K): CB 31.380 31.380 31.865 -0.485 RESID 101 (K): H 7.840 7.840 8.912 -1.072 RESID 102 (N): N 114.400 114.400 115.635 -1.235 RESID 102 (N): C 175.500 175.500 175.261 0.239 RESID 102 (N): CA 52.330 52.330 54.596 -2.266 RESID 102 (N): CB 36.990 36.990 38.570 -1.580 RESID 102 (N): H 7.941 7.941 8.168 -0.227 RESID 103 (S): N 114.800 114.800 114.739 0.061 RESID 103 (S): C 176.000 176.000 173.278 2.722 RESID 103 (S): CA 58.180 58.180 57.487 0.693 RESID 103 (S): CB 64.310 64.310 63.917 0.393 RESID 103 (S): H 7.700 7.700 7.642 0.058 RESID 104 (D): N 128.500 128.500 129.320 -0.820 RESID 104 (D): C 176.700 176.700 174.979 1.721 RESID 104 (D): CA 52.990 52.990 53.969 -0.979 RESID 104 (D): CB 40.330 40.330 40.922 -0.592 RESID 104 (D): H 8.548 8.548 8.546 0.002 RESID 105 (I): N 122.800 122.800 124.002 -1.202 RESID 105 (I): C 173.800 173.800 174.484 -0.684 RESID 105 (I): CA 63.580 63.580 60.381 3.199 RESID 105 (I): CB 37.490 37.490 40.492 -3.002 RESID 105 (I): H 7.826 7.826 8.158 -0.332 RESID 106 (Q): N 124.600 124.600 125.159 -0.559 RESID 106 (Q): C 174.700 174.700 173.999 0.701 RESID 106 (Q): CA 51.380 51.380 52.013 -0.633 RESID 106 (Q): CB 31.050 31.050 29.045 2.005 RESID 106 (Q): H 8.174 8.174 8.367 -0.193 RESID 107 (P): C 175.300 175.300 175.779 -0.479 RESID 107 (P): CA 61.880 61.880 63.677 -1.797 RESID 107 (P): CB 26.860 26.860 30.766 -3.906 RESID 108 (T): N 114.600 114.600 117.675 -3.075 RESID 108 (T): C 174.000 174.000 174.385 -0.385 RESID 108 (T): CA 57.690 57.690 61.580 -3.890 RESID 108 (T): CB 71.020 71.020 72.101 -1.081 RESID 108 (T): H 8.531 8.531 7.730 0.801 RESID 109 (V): N 121.800 121.800 123.552 -1.752 RESID 109 (V): C 177.300 177.300 176.930 0.370 RESID 109 (V): CA 65.600 65.600 64.764 0.836 RESID 109 (V): CB 30.580 30.580 32.775 -2.195 RESID 109 (V): H 8.775 8.775 8.491 0.284 RESID 110 (E): N 116.900 116.900 120.820 -3.920 RESID 110 (E): C 178.400 178.400 178.650 -0.250 RESID 110 (E): CA 59.260 59.260 60.144 -0.884 RESID 110 (E): CB 28.170 28.170 29.044 -0.874 RESID 110 (E): H 8.414 8.414 8.384 0.030 RESID 111 (S): N 113.200 113.200 113.419 -0.219 RESID 111 (S): C 176.500 176.500 175.911 0.589 RESID 111 (S): CA 59.370 59.370 60.990 -1.620 RESID 111 (S): CB 63.730 63.730 62.521 1.209 RESID 111 (S): H 7.387 7.387 8.441 -1.054 RESID 112 (L): N 116.100 116.100 120.398 -4.298 RESID 112 (L): C 176.700 176.700 176.686 0.014 RESID 112 (L): CA 54.580 54.580 55.344 -0.764 RESID 112 (L): CB 42.650 42.650 42.573 0.077 RESID 112 (L): H 7.676 7.676 7.326 0.350 RESID 113 (K): N 121.000 121.000 119.269 1.731 RESID 113 (K): C 178.200 178.200 177.497 0.703 RESID 113 (K): CA 58.850 58.850 58.234 0.615 RESID 113 (K): CB 30.850 30.850 32.239 -1.389 RESID 113 (K): H 7.445 7.445 7.757 -0.312 RESID 114 (G): N 113.900 113.900 112.962 0.938 RESID 114 (G): C 174.200 174.200 174.795 -0.595 RESID 114 (G): CA 45.240 45.240 45.350 -0.110 RESID 114 (G): H 8.454 8.454 8.354 0.100 RESID 115 (K): N 120.600 120.600 121.717 -1.117 RESID 115 (K): C 174.800 174.800 176.115 -1.315 RESID 115 (K): CA 53.710 53.710 54.769 -1.059 RESID 115 (K): CB 31.990 31.990 33.292 -1.302 RESID 115 (K): H 8.530 8.530 7.877 0.653 RESID 116 (R): N 119.300 119.300 120.622 -1.322 RESID 116 (R): C 176.000 176.000 175.442 0.558 RESID 116 (R): CA 54.720 54.720 55.839 -1.119 RESID 116 (R): CB 32.310 32.310 31.719 0.591 RESID 116 (R): H 9.455 9.455 8.402 1.053 RESID 117 (V): N 126.100 126.100 123.074 3.026 RESID 117 (V): C 175.300 175.300 175.003 0.297 RESID 117 (V): CA 60.090 60.090 60.371 -0.281 RESID 117 (V): CB 33.620 33.620 35.447 -1.827 RESID 117 (V): H 9.217 9.217 8.621 0.596 RESID 118 (G): N 114.000 114.000 113.459 0.541 RESID 118 (G): C 172.300 172.300 172.634 -0.334 RESID 118 (G): CA 45.010 45.010 43.595 1.415 RESID 118 (G): H 9.367 9.367 8.032 1.335 RESID 119 (V): N 116.400 116.400 122.346 -5.946 RESID 119 (V): C 174.100 174.100 174.026 0.074 RESID 119 (V): CA 58.270 58.270 60.456 -2.186 RESID 119 (V): CB 36.370 36.370 36.995 -0.625 RESID 119 (V): H 9.166 9.166 9.303 -0.137 RESID 120 (L): N 124.400 124.400 124.152 0.248 RESID 120 (L): C 176.900 176.900 175.663 1.237 RESID 120 (L): CA 53.690 53.690 53.963 -0.273 RESID 120 (L): CB 41.240 41.240 42.651 -1.411 RESID 120 (L): H 8.961 8.961 8.823 0.138 RESID 121 (Q): N 128.000 128.000 127.193 0.807 RESID 121 (Q): C 176.900 176.900 177.243 -0.343 RESID 121 (Q): CA 56.680 56.680 57.094 -0.414 RESID 121 (Q): CB 27.920 27.920 29.531 -1.611 RESID 121 (Q): H 9.305 9.305 8.993 0.312 RESID 122 (G): N 113.600 113.600 113.556 0.044 RESID 122 (G): C 175.100 175.100 173.557 1.543 RESID 122 (G): CA 45.240 45.240 45.474 -0.234 RESID 122 (G): H 9.383 9.383 8.752 0.631 RESID 123 (T): N 108.400 108.400 110.096 -1.696 RESID 123 (T): C 176.800 176.800 174.394 2.406 RESID 123 (T): CA 60.260 60.260 60.018 0.242 RESID 123 (T): CB 73.530 73.530 70.629 2.901 RESID 123 (T): H 7.220 7.220 7.739 -0.519 RESID 124 (T): N 113.900 113.900 112.530 1.370 RESID 124 (T): C 178.100 178.100 176.527 1.573 RESID 124 (T): CA 63.990 63.990 64.675 -0.685 RESID 124 (T): CB 67.740 67.740 68.704 -0.964 RESID 124 (T): H 8.934 8.934 8.663 0.271 RESID 125 (Q): N 120.600 120.600 122.418 -1.818 RESID 125 (Q): C 178.300 178.300 178.087 0.213 RESID 125 (Q): CA 61.670 61.670 59.765 1.905 RESID 125 (Q): CB 25.310 25.310 28.045 -2.735 RESID 125 (Q): H 7.521 7.521 8.274 -0.753 RESID 126 (E): N 121.900 121.900 119.758 2.142 RESID 126 (E): C 177.600 177.600 178.893 -1.293 RESID 126 (E): CA 59.630 59.630 59.839 -0.208 RESID 126 (E): CB 28.730 28.730 29.638 -0.908 RESID 126 (E): H 7.717 7.717 7.808 -0.091 RESID 127 (T): N 117.800 117.800 116.206 1.594 RESID 127 (T): C 176.200 176.200 176.373 -0.173 RESID 127 (T): CA 66.340 66.340 66.794 -0.454 RESID 127 (T): CB 67.590 67.590 68.719 -1.129 RESID 127 (T): H 8.175 8.175 7.616 0.559 RESID 128 (F): N 121.900 121.900 121.955 -0.055 RESID 128 (F): C 178.000 178.000 177.537 0.463 RESID 128 (F): CA 61.590 61.590 60.721 0.869 RESID 128 (F): CB 38.810 38.810 38.926 -0.116 RESID 128 (F): H 8.882 8.882 8.600 0.282 RESID 129 (G): N 107.000 107.000 107.119 -0.119 RESID 129 (G): C 176.100 176.100 176.479 -0.379 RESID 129 (G): CA 46.690 46.690 47.208 -0.518 RESID 129 (G): H 8.900 8.900 9.161 -0.261 RESID 130 (N): N 123.000 123.000 118.443 4.557 RESID 130 (N): C 176.200 176.200 175.831 0.369 RESID 130 (N): CA 55.400 55.400 55.338 0.062 RESID 130 (N): CB 37.570 37.570 38.196 -0.625 RESID 130 (N): H 8.915 8.915 8.563 0.352 RESID 131 (E): N 119.000 119.000 116.711 2.289 RESID 131 (E): C 177.900 177.900 177.088 0.812 RESID 131 (E): CA 57.940 57.940 56.706 1.234 RESID 131 (E): CB 29.350 29.350 30.764 -1.414 RESID 131 (E): H 7.907 7.907 7.480 0.427 RESID 132 (H): N 112.600 112.600 118.644 -6.044 RESID 132 (H): C 175.900 175.900 175.551 0.349 RESID 132 (H): CA 56.910 56.910 58.801 -1.891 RESID 132 (H): CB 30.510 30.510 29.826 0.684 RESID 132 (H): H 7.877 7.877 7.861 0.016 RESID 133 (W): N 119.300 119.300 117.459 1.841 RESID 133 (W): C 176.800 176.800 176.190 0.610 RESID 133 (W): CA 55.570 55.570 56.539 -0.969 RESID 133 (W): CB 30.400 30.400 29.722 0.678 RESID 133 (W): H 7.653 7.653 7.499 0.154 RESID 134 (A): N 125.400 125.400 124.631 0.769 RESID 134 (A): C 177.700 177.700 177.213 0.487 RESID 134 (A): CA 55.410 55.410 54.601 0.809 RESID 134 (A): CB 15.990 15.990 16.819 -0.829 RESID 134 (A): H 8.711 8.711 7.534 1.177 RESID 135 (P): C 177.200 177.200 177.247 -0.047 RESID 135 (P): CA 64.510 64.510 64.562 -0.052 RESID 135 (P): CB 30.800 30.800 30.986 -0.186 RESID 136 (K): N 115.800 115.800 116.473 -0.673 RESID 136 (K): C 176.500 176.500 177.532 -1.032 RESID 136 (K): CA 53.530 53.530 55.884 -2.354 RESID 136 (K): CB 31.430 31.430 31.889 -0.459 RESID 136 (K): H 7.665 7.665 8.110 -0.445 RESID 137 (G): N 106.100 106.100 108.372 -2.272 RESID 137 (G): C 174.300 174.300 173.517 0.783 RESID 137 (G): CA 45.740 45.740 45.373 0.367 RESID 137 (G): H 7.864 7.864 7.668 0.196 RESID 138 (I): N 124.400 124.400 119.353 5.047 RESID 138 (I): C 174.400 174.400 174.784 -0.384 RESID 138 (I): CA 60.460 60.460 60.086 0.374 RESID 138 (I): CB 38.080 38.080 39.891 -1.811 RESID 138 (I): H 6.889 6.889 7.474 -0.585 RESID 139 (E): N 128.400 128.400 127.210 1.190 RESID 139 (E): C 173.900 173.900 175.101 -1.201 RESID 139 (E): CA 56.050 56.050 55.593 0.457 RESID 139 (E): CB 29.490 29.490 31.222 -1.732 RESID 139 (E): H 8.230 8.230 8.332 -0.102 RESID 140 (I): N 129.500 129.500 121.697 7.803 RESID 140 (I): C 176.100 176.100 174.772 1.328 RESID 140 (I): CA 57.100 57.100 59.019 -1.919 RESID 140 (I): CB 34.440 34.440 40.559 -6.119 RESID 140 (I): H 8.642 8.642 8.360 0.282 RESID 141 (V): N 133.000 133.000 125.309 7.691 RESID 141 (V): C 174.400 174.400 174.499 -0.099 RESID 141 (V): CA 61.060 61.060 61.150 -0.090 RESID 141 (V): CB 32.410 32.410 36.163 -3.753 RESID 141 (V): H 9.387 9.387 8.981 0.406 RESID 142 (S): N 122.900 122.900 120.144 2.756 RESID 142 (S): C 175.000 175.000 173.532 1.468 RESID 142 (S): CA 57.710 57.710 57.364 0.346 RESID 142 (S): CB 63.710 63.710 63.764 -0.055 RESID 142 (S): H 8.490 8.490 8.392 0.098 RESID 143 (Y): N 123.400 123.400 126.083 -2.683 RESID 143 (Y): C 175.900 175.900 176.387 -0.487 RESID 143 (Y): CA 57.300 57.300 57.714 -0.414 RESID 143 (Y): CB 42.300 42.300 41.326 0.974 RESID 143 (Y): H 8.979 8.979 9.274 -0.295 RESID 144 (Q): N 119.500 119.500 120.079 -0.579 RESID 144 (Q): C 176.000 176.000 174.904 1.096 RESID 144 (Q): CA 56.490 56.490 55.912 0.578 RESID 144 (Q): CB 28.470 28.470 29.856 -1.386 RESID 144 (Q): H 8.974 8.974 8.744 0.230 RESID 145 (G): N 106.800 106.800 107.325 -0.525 RESID 145 (G): C 173.500 173.500 174.160 -0.660 RESID 145 (G): CA 44.300 44.300 44.327 -0.027 RESID 145 (G): H 7.531 7.531 7.859 -0.328 RESID 146 (Q): N 124.300 124.300 122.854 1.446 RESID 146 (Q): C 177.200 177.200 177.349 -0.149 RESID 146 (Q): CA 57.800 57.800 58.793 -0.993 RESID 146 (Q): CB 28.190 28.190 28.625 -0.435 RESID 146 (Q): H 8.949 8.949 8.859 0.090 RESID 147 (D): N 117.900 117.900 118.448 -0.548 RESID 147 (D): C 178.900 178.900 178.487 0.413 RESID 147 (D): CA 56.650 56.650 56.893 -0.243 RESID 147 (D): CB 38.890 38.890 39.736 -0.846 RESID 147 (D): H 8.746 8.746 8.786 -0.040 RESID 148 (N): N 117.500 117.500 117.712 -0.212 RESID 148 (N): C 176.700 176.700 177.333 -0.633 RESID 148 (N): CA 55.160 55.160 55.595 -0.435 RESID 148 (N): CB 38.700 38.700 38.098 0.602 RESID 148 (N): H 7.496 7.496 8.567 -1.071 RESID 149 (I): N 120.000 120.000 119.962 0.038 RESID 149 (I): C 177.400 177.400 177.505 -0.105 RESID 149 (I): CA 64.450 64.450 65.062 -0.612 RESID 149 (I): CB 35.900 35.900 37.582 -1.682 RESID 149 (I): H 6.793 6.793 7.096 -0.303 RESID 150 (Y): N 117.400 117.400 118.224 -0.824 RESID 150 (Y): C 178.800 178.800 178.067 0.733 RESID 150 (Y): CA 59.730 59.730 61.680 -1.950 RESID 150 (Y): CB 35.970 35.970 37.652 -1.682 RESID 150 (Y): H 6.897 6.897 7.397 -0.500 RESID 151 (S): N 117.000 117.000 114.911 2.089 RESID 151 (S): C 177.000 177.000 177.020 -0.020 RESID 151 (S): CA 61.300 61.300 61.690 -0.390 RESID 151 (S): CB 62.100 62.100 62.219 -0.119 RESID 151 (S): H 8.186 8.186 8.225 -0.039 RESID 152 (D): N 122.300 122.300 123.251 -0.951 RESID 152 (D): C 179.000 179.000 178.352 0.648 RESID 152 (D): CA 56.580 56.580 56.877 -0.297 RESID 152 (D): CB 38.240 38.240 40.373 -2.133 RESID 152 (D): H 7.541 7.541 7.708 -0.167 RESID 153 (L): N 124.100 124.100 121.155 2.945 RESID 153 (L): C 180.300 180.300 178.554 1.746 RESID 153 (L): CA 58.160 58.160 57.548 0.612 RESID 153 (L): CB 41.630 41.630 41.821 -0.191 RESID 153 (L): H 8.372 8.372 7.855 0.517 RESID 154 (T): N 111.900 111.900 113.389 -1.489 RESID 154 (T): C 176.700 176.700 175.332 1.368 RESID 154 (T): CA 63.920 63.920 65.352 -1.432 RESID 154 (T): CB 68.700 68.700 69.023 -0.323 RESID 154 (T): H 8.389 8.389 8.311 0.078 RESID 155 (A): N 121.800 121.800 120.089 1.711 RESID 155 (A): C 178.200 178.200 178.032 0.168 RESID 155 (A): CA 51.640 51.640 52.321 -0.681 RESID 155 (A): CB 18.990 18.990 19.476 -0.486 RESID 155 (A): H 7.444 7.444 7.075 0.369 RESID 156 (G): N 107.800 107.800 107.107 0.693 RESID 156 (G): C 175.100 175.100 175.348 -0.248 RESID 156 (G): CA 45.420 45.420 45.171 0.249 RESID 156 (G): H 7.921 7.921 8.017 -0.096 RESID 157 (R): N 119.000 119.000 119.194 -0.194 RESID 157 (R): C 176.600 176.600 175.717 0.883 RESID 157 (R): CA 57.260 57.260 57.584 -0.324 RESID 157 (R): CB 30.400 30.400 30.770 -0.370 RESID 157 (R): H 8.443 8.443 8.131 0.312 RESID 158 (I): N 108.900 108.900 112.767 -3.867 RESID 158 (I): C 173.700 173.700 174.275 -0.575 RESID 158 (I): CA 59.900 59.900 59.206 0.694 RESID 158 (I): CB 40.070 40.070 41.106 -1.036 RESID 158 (I): H 7.109 7.109 7.119 -0.010 RESID 159 (D): N 119.100 119.100 123.747 -4.647 RESID 159 (D): C 174.700 174.700 175.653 -0.953 RESID 159 (D): CA 55.900 55.900 56.286 -0.386 RESID 159 (D): CB 43.630 43.630 41.725 1.905 RESID 159 (D): H 8.737 8.737 8.561 0.176 RESID 160 (A): N 116.400 116.400 116.435 -0.035 RESID 160 (A): C 174.900 174.900 174.315 0.585 RESID 160 (A): CA 50.190 50.190 51.487 -1.297 RESID 160 (A): CB 23.030 23.030 21.335 1.695 RESID 160 (A): H 7.702 7.702 7.163 0.539 RESID 161 (A): N 123.400 123.400 121.795 1.605 RESID 161 (A): C 175.500 175.500 175.693 -0.193 RESID 161 (A): CA 49.730 49.730 50.265 -0.535 RESID 161 (A): CB 21.110 21.110 21.613 -0.503 RESID 161 (A): H 8.915 8.915 7.998 0.917 RESID 162 (F): N 125.100 125.100 122.546 2.554 RESID 162 (F): C 172.900 172.900 174.989 -2.089 RESID 162 (F): CA 54.500 54.500 58.232 -3.732 RESID 162 (F): CB 39.400 39.400 38.802 0.598 RESID 162 (F): H 8.971 8.971 8.405 0.566 RESID 163 (Q): N 124.600 124.600 123.351 1.249 RESID 163 (Q): C 173.400 173.400 173.694 -0.294 RESID 163 (Q): CA 53.550 53.550 53.633 -0.083 RESID 163 (Q): CB 34.390 34.390 33.149 1.241 RESID 163 (Q): H 7.904 7.904 8.326 -0.422 RESID 164 (D): N 122.300 122.300 121.241 1.059 RESID 164 (D): C 175.800 175.800 177.248 -1.448 RESID 164 (D): CA 55.540 55.540 54.470 1.070 RESID 164 (D): CB 42.370 42.370 42.054 0.315 RESID 164 (D): H 8.304 8.304 8.441 -0.137 RESID 165 (E): N 128.600 128.600 122.927 5.673 RESID 165 (E): C 177.700 177.700 178.118 -0.418 RESID 165 (E): CA 60.230 60.230 60.137 0.093 RESID 165 (E): CB 30.020 30.020 29.825 0.195 RESID 165 (E): H 8.605 8.605 8.770 -0.165 RESID 166 (V): N 120.100 120.100 118.843 1.257 RESID 166 (V): C 178.300 178.300 177.276 1.024 RESID 166 (V): CA 66.800 66.800 66.698 0.102 RESID 166 (V): CB 30.070 30.070 30.266 -0.196 RESID 166 (V): H 8.748 8.748 8.198 0.550 RESID 167 (A): N 123.200 123.200 120.071 3.129 RESID 167 (A): C 182.500 182.500 179.094 3.406 RESID 167 (A): CA 54.980 54.980 54.710 0.270 RESID 167 (A): CB 17.910 17.910 18.043 -0.133 RESID 167 (A): H 8.655 8.655 7.897 0.758 RESID 168 (A): N 121.300 121.300 122.167 -0.867 RESID 168 (A): C 179.800 179.800 179.730 0.070 RESID 168 (A): CA 54.180 54.180 54.554 -0.374 RESID 168 (A): CB 18.750 18.750 18.428 0.322 RESID 168 (A): H 8.349 8.349 7.910 0.439 RESID 169 (S): N 113.400 113.400 114.317 -0.917 RESID 169 (S): C 175.700 175.700 176.247 -0.547 RESID 169 (S): CA 61.050 61.050 62.826 -1.776 RESID 169 (S): CB 63.050 63.050 62.559 0.491 RESID 169 (S): H 8.058 8.058 8.176 -0.118 RESID 170 (E): N 115.600 115.600 120.392 -4.792 RESID 170 (E): C 178.800 178.800 177.414 1.386 RESID 170 (E): CA 57.610 57.610 58.082 -0.472 RESID 170 (E): CB 29.790 29.790 29.054 0.736 RESID 170 (E): H 8.824 8.824 7.846 0.978 RESID 171 (G): N 103.400 103.400 104.960 -1.560 RESID 171 (G): C 173.700 173.700 174.994 -1.294 RESID 171 (G): CA 44.970 44.970 45.270 -0.300 RESID 171 (G): H 8.154 8.154 7.345 0.809 RESID 172 (F): N 120.100 120.100 122.507 -2.407 RESID 172 (F): C 175.200 175.200 177.684 -2.484 RESID 172 (F): CA 60.690 60.690 61.155 -0.465 RESID 172 (F): CB 40.740 40.740 39.097 1.643 RESID 172 (F): H 7.297 7.297 8.358 -1.061 RESID 173 (L): N 117.800 117.800 117.736 0.064 RESID 173 (L): C 179.000 179.000 178.293 0.707 RESID 173 (L): CA 57.670 57.670 56.854 0.816 RESID 173 (L): CB 40.020 40.020 41.829 -1.809 RESID 173 (L): H 8.470 8.470 7.519 0.951 RESID 174 (K): N 114.600 114.600 116.444 -1.844 RESID 174 (K): C 176.900 176.900 176.343 0.557 RESID 174 (K): CA 56.450 56.450 57.280 -0.830 RESID 174 (K): CB 31.770 31.770 32.650 -0.880 RESID 174 (K): H 8.018 8.018 7.562 0.456 RESID 175 (Q): N 118.800 118.800 117.081 1.719 RESID 175 (Q): C 176.000 176.000 173.943 2.057 RESID 175 (Q): CA 52.510 52.510 52.207 0.303 RESID 175 (Q): CB 26.740 26.740 29.757 -3.017 RESID 175 (Q): H 7.151 7.151 7.270 -0.119 RESID 176 (P): C 179.300 179.300 177.318 1.982 RESID 176 (P): CA 66.100 66.100 65.427 0.673 RESID 176 (P): CB 30.720 30.720 31.520 -0.800 RESID 177 (V): N 112.300 112.300 117.286 -4.986 RESID 177 (V): C 175.900 175.900 177.894 -1.994 RESID 177 (V): CA 62.860 62.860 65.945 -3.084 RESID 177 (V): CB 30.660 30.660 30.578 0.082 RESID 177 (V): H 7.480 7.480 7.681 -0.201 RESID 178 (G): N 109.700 109.700 105.770 3.930 RESID 178 (G): C 175.000 175.000 174.787 0.213 RESID 178 (G): CA 44.080 44.080 46.244 -2.164 RESID 178 (G): H 7.173 7.173 7.936 -0.763 RESID 179 (K): N 120.900 120.900 119.093 1.807 RESID 179 (K): C 177.100 177.100 177.650 -0.550 RESID 179 (K): CA 58.360 58.360 58.455 -0.095 RESID 179 (K): CB 31.260 31.260 32.287 -1.027 RESID 179 (K): H 6.972 6.972 7.420 -0.448 RESID 180 (D): N 117.200 117.200 117.268 -0.068 RESID 180 (D): C 173.900 173.900 175.865 -1.965 RESID 180 (D): CA 53.920 53.920 55.859 -1.939 RESID 180 (D): CB 39.690 39.690 41.365 -1.675 RESID 180 (D): H 8.036 8.036 7.446 0.590 RESID 181 (Y): N 120.500 120.500 114.982 5.518 RESID 181 (Y): C 172.300 172.300 173.482 -1.182 RESID 181 (Y): CA 57.890 57.890 57.735 0.155 RESID 181 (Y): CB 41.860 41.860 42.322 -0.462 RESID 181 (Y): H 7.768 7.768 7.452 0.316 RESID 182 (K): N 116.900 116.900 118.775 -1.875 RESID 182 (K): C 174.900 174.900 174.276 0.624 RESID 182 (K): CA 54.330 54.330 56.445 -2.115 RESID 182 (K): CB 35.610 35.610 33.373 2.237 RESID 182 (K): H 9.497 9.497 8.832 0.665 RESID 183 (F): N 117.900 117.900 121.119 -3.219 RESID 183 (F): C 177.800 177.800 175.146 2.654 RESID 183 (F): CA 56.780 56.780 57.904 -1.124 RESID 183 (F): CB 38.320 38.320 42.942 -4.622 RESID 183 (F): H 8.470 8.470 8.134 0.336 RESID 184 (G): N 113.700 113.700 109.030 4.670 RESID 184 (G): C 173.300 173.300 174.877 -1.577 RESID 184 (G): CA 46.900 46.900 44.927 1.973 RESID 184 (G): H 9.107 9.107 8.815 0.292 RESID 185 (G): N 111.000 111.000 108.797 2.203 RESID 185 (G): C 171.100 171.100 172.852 -1.752 RESID 185 (G): CA 44.530 44.530 45.456 -0.926 RESID 185 (G): H 7.702 7.702 8.254 -0.552 RESID 186 (P): C 175.500 175.500 176.199 -0.699 RESID 186 (P): CA 61.920 61.920 64.439 -2.519 RESID 186 (P): CB 32.640 32.640 31.845 0.795 RESID 187 (S): N 113.500 113.500 119.617 -6.117 RESID 187 (S): C 173.500 173.500 173.674 -0.174 RESID 187 (S): CA 57.930 57.930 57.445 0.485 RESID 187 (S): CB 63.260 63.260 65.802 -2.542 RESID 187 (S): H 8.452 8.452 8.356 0.096 RESID 188 (V): N 123.300 123.300 122.211 1.089 RESID 188 (V): C 173.900 173.900 173.719 0.181 RESID 188 (V): CA 61.800 61.800 61.778 0.022 RESID 188 (V): CB 32.680 32.680 34.154 -1.474 RESID 188 (V): H 9.080 9.080 7.918 1.162 RESID 189 (K): N 125.200 125.200 121.898 3.302 RESID 189 (K): C 176.700 176.700 174.076 2.624 RESID 189 (K): CA 54.680 54.680 56.254 -1.574 RESID 189 (K): CB 33.780 33.780 34.423 -0.643 RESID 189 (K): H 8.123 8.123 8.166 -0.043 RESID 190 (D): N 120.300 120.300 122.084 -1.784 RESID 190 (D): C 175.300 175.300 176.884 -1.584 RESID 190 (D): CA 55.610 55.610 53.445 2.165 RESID 190 (D): CB 42.620 42.620 40.437 2.183 RESID 190 (D): H 8.823 8.823 8.278 0.545 RESID 191 (E): N 129.100 129.100 126.611 2.489 RESID 191 (E): C 177.300 177.300 177.575 -0.275 RESID 191 (E): CA 59.310 59.310 58.437 0.874 RESID 191 (E): CB 28.420 28.420 29.527 -1.107 RESID 191 (E): H 9.239 9.239 8.852 0.387 RESID 192 (K): N 118.000 118.000 119.294 -1.294 RESID 192 (K): C 178.200 178.200 178.039 0.161 RESID 192 (K): CA 58.140 58.140 58.911 -0.771 RESID 192 (K): CB 31.690 31.690 32.147 -0.457 RESID 192 (K): H 7.918 7.918 8.788 -0.870 RESID 193 (L): N 118.200 118.200 118.020 0.180 RESID 193 (L): C 177.700 177.700 177.748 -0.048 RESID 193 (L): CA 55.790 55.790 56.989 -1.199 RESID 193 (L): CB 42.330 42.330 42.059 0.271 RESID 193 (L): H 8.362 8.362 7.141 1.221 RESID 194 (F): N 116.800 116.800 113.442 3.358 RESID 194 (F): C 178.200 178.200 175.854 2.346 RESID 194 (F): CA 54.620 54.620 57.370 -2.750 RESID 194 (F): CB 37.390 37.390 39.898 -2.508 RESID 194 (F): H 8.036 8.036 7.302 0.734 RESID 195 (G): N 106.900 106.900 108.839 -1.939 RESID 195 (G): C 174.200 174.200 174.568 -0.368 RESID 195 (G): CA 44.120 44.120 44.891 -0.771 RESID 195 (G): H 7.510 7.510 7.658 -0.148 RESID 196 (V): N 112.400 112.400 123.824 -11.424 RESID 196 (V): C 175.300 175.300 175.822 -0.522 RESID 196 (V): CA 60.720 60.720 64.025 -3.305 RESID 196 (V): CB 30.630 30.630 32.148 -1.518 RESID 196 (V): H 8.064 8.064 8.336 -0.272 RESID 197 (G): N 108.100 108.100 105.139 2.961 RESID 197 (G): C 172.300 172.300 172.010 0.290 RESID 197 (G): CA 43.210 43.210 45.259 -2.049 RESID 197 (G): H 7.788 7.788 7.252 0.536 RESID 198 (T): N 109.200 109.200 113.372 -4.172 RESID 198 (T): C 172.800 172.800 173.153 -0.353 RESID 198 (T): CA 59.090 59.090 59.336 -0.246 RESID 198 (T): CB 71.080 71.080 71.332 -0.252 RESID 198 (T): H 7.796 7.796 7.935 -0.139 RESID 199 (G): N 103.900 103.900 108.190 -4.290 RESID 199 (G): C 171.800 171.800 172.283 -0.483 RESID 199 (G): CA 43.840 43.840 45.619 -1.779 RESID 199 (G): H 7.928 7.928 7.858 0.070 RESID 200 (M): N 121.400 121.400 119.428 1.972 RESID 200 (M): C 176.200 176.200 176.045 0.155 RESID 200 (M): CA 55.260 55.260 54.884 0.376 RESID 200 (M): CB 33.390 33.390 35.532 -2.143 RESID 200 (M): H 7.971 7.971 8.235 -0.264 RESID 201 (G): N 112.200 112.200 110.390 1.810 RESID 201 (G): C 172.000 172.000 172.646 -0.646 RESID 201 (G): CA 44.540 44.540 44.300 0.240 RESID 201 (G): H 8.818 8.818 8.424 0.395 RESID 202 (L): N 124.700 124.700 124.803 -0.103 RESID 202 (L): C 176.000 176.000 175.911 0.089 RESID 202 (L): CA 53.740 53.740 52.816 0.924 RESID 202 (L): CB 46.010 46.010 46.093 -0.083 RESID 202 (L): H 8.767 8.767 8.672 0.095 RESID 203 (R): N 121.600 121.600 120.064 1.536 RESID 203 (R): C 180.400 180.400 177.911 2.489 RESID 203 (R): CA 57.130 57.130 55.446 1.684 RESID 203 (R): CB 29.650 29.650 31.290 -1.640 RESID 203 (R): H 10.270 10.270 8.144 2.126 RESID 204 (K): N 123.200 123.200 124.428 -1.228 RESID 204 (K): C 178.200 178.200 177.668 0.532 RESID 204 (K): CA 59.570 59.570 59.680 -0.110 RESID 204 (K): CB 31.840 31.840 32.145 -0.305 RESID 204 (K): H 9.231 9.231 8.671 0.560 RESID 205 (E): N 113.800 113.800 117.109 -3.309 RESID 205 (E): C 177.700 177.700 177.907 -0.207 RESID 205 (E): CA 57.230 57.230 58.238 -1.008 RESID 205 (E): CB 27.770 27.770 28.906 -1.136 RESID 205 (E): H 9.026 9.026 8.227 0.799 RESID 206 (D): N 126.000 126.000 120.851 5.149 RESID 206 (D): C 177.300 177.300 176.512 0.788 RESID 206 (D): CA 53.710 53.710 53.668 0.042 RESID 206 (D): CB 37.530 37.530 38.692 -1.162 RESID 206 (D): H 7.253 7.253 8.035 -0.782 RESID 207 (N): N 120.100 120.100 120.455 -0.355 RESID 207 (N): C 176.900 176.900 177.011 -0.111 RESID 207 (N): CA 56.950 56.950 56.445 0.505 RESID 207 (N): CB 38.820 38.820 38.894 -0.074 RESID 207 (N): H 7.839 7.839 8.724 -0.885 RESID 208 (E): N 120.500 120.500 118.977 1.523 RESID 208 (E): C 179.900 179.900 178.469 1.431 RESID 208 (E): CA 59.870 59.870 58.978 0.892 RESID 208 (E): CB 27.630 27.630 29.446 -1.816 RESID 208 (E): H 8.776 8.776 8.335 0.441 RESID 209 (L): N 122.900 122.900 120.433 2.467 RESID 209 (L): C 177.100 177.100 178.208 -1.108 RESID 209 (L): CA 57.400 57.400 57.546 -0.146 RESID 209 (L): CB 40.660 40.660 41.842 -1.182 RESID 209 (L): H 8.366 8.366 7.859 0.507 RESID 210 (R): N 119.100 119.100 118.769 0.331 RESID 210 (R): C 177.400 177.400 178.215 -0.815 RESID 210 (R): CA 59.970 59.970 59.741 0.229 RESID 210 (R): CB 30.110 30.110 30.025 0.085 RESID 210 (R): H 7.582 7.582 8.331 -0.749 RESID 211 (E): N 116.200 116.200 119.261 -3.061 RESID 211 (E): C 179.800 179.800 178.535 1.265 RESID 211 (E): CA 59.150 59.150 59.265 -0.115 RESID 211 (E): CB 28.600 28.600 29.592 -0.992 RESID 211 (E): H 8.407 8.407 7.880 0.527 RESID 212 (A): N 123.500 123.500 122.681 0.819 RESID 212 (A): C 181.300 181.300 179.649 1.651 RESID 212 (A): CA 54.810 54.810 54.716 0.094 RESID 212 (A): CB 17.170 17.170 18.137 -0.967 RESID 212 (A): H 8.128 8.128 7.631 0.497 RESID 213 (L): N 121.200 121.200 119.611 1.589 RESID 213 (L): C 178.400 178.400 179.620 -1.220 RESID 213 (L): CA 57.710 57.710 58.200 -0.490 RESID 213 (L): CB 41.450 41.450 41.207 0.243 RESID 213 (L): H 8.364 8.364 8.061 0.303 RESID 214 (N): N 119.200 119.200 116.454 2.746 RESID 214 (N): C 179.700 179.700 177.853 1.847 RESID 214 (N): CA 55.260 55.260 55.877 -0.617 RESID 214 (N): CB 37.120 37.120 37.925 -0.805 RESID 214 (N): H 8.435 8.435 8.345 0.090 RESID 215 (K): N 123.800 123.800 121.334 2.466 RESID 215 (K): C 178.400 178.400 178.519 -0.119 RESID 215 (K): CA 59.090 59.090 59.396 -0.306 RESID 215 (K): CB 31.740 31.740 32.481 -0.741 RESID 215 (K): H 8.080 8.080 8.444 -0.364 RESID 216 (A): N 122.200 122.200 121.770 0.430 RESID 216 (A): C 179.500 179.500 179.513 -0.013 RESID 216 (A): CA 54.140 54.140 54.888 -0.748 RESID 216 (A): CB 18.700 18.700 18.266 0.434 RESID 216 (A): H 7.935 7.935 8.250 -0.315 RESID 217 (F): N 119.500 119.500 120.123 -0.623 RESID 217 (F): C 177.200 177.200 176.984 0.216 RESID 217 (F): CA 61.390 61.390 60.287 1.103 RESID 217 (F): CB 38.000 38.000 39.067 -1.067 RESID 217 (F): H 8.916 8.916 8.327 0.589 RESID 218 (A): N 121.300 121.300 121.222 0.078 RESID 218 (A): C 182.100 182.100 179.677 2.423 RESID 218 (A): CA 54.810 54.810 55.210 -0.400 RESID 218 (A): CB 16.650 16.650 17.988 -1.338 RESID 218 (A): H 7.956 7.956 8.160 -0.204 RESID 219 (E): N 120.000 120.000 119.023 0.977 RESID 219 (E): C 178.600 178.600 179.003 -0.403 RESID 219 (E): CA 59.040 59.040 59.301 -0.261 RESID 219 (E): CB 28.320 28.320 29.480 -1.161 RESID 219 (E): H 7.952 7.952 7.846 0.106 RESID 220 (M): N 120.900 120.900 118.171 2.729 RESID 220 (M): C 179.000 179.000 178.531 0.469 RESID 220 (M): CA 57.430 57.430 59.483 -2.053 RESID 220 (M): CB 32.620 32.620 32.455 0.165 RESID 220 (M): H 8.190 8.190 8.069 0.121 RESID 221 (R): N 119.200 119.200 118.381 0.819 RESID 221 (R): C 179.300 179.300 178.887 0.413 RESID 221 (R): CA 58.710 58.710 58.930 -0.220 RESID 221 (R): CB 27.480 27.480 29.857 -2.377 RESID 221 (R): H 7.762 7.762 7.523 0.239 RESID 222 (A): N 122.500 122.500 122.108 0.392 RESID 222 (A): C 179.300 179.300 178.930 0.370 RESID 222 (A): CA 54.180 54.180 54.627 -0.447 RESID 222 (A): CB 18.030 18.030 18.553 -0.523 RESID 222 (A): H 7.838 7.838 7.746 0.092 RESID 223 (D): N 115.100 115.100 114.688 0.412 RESID 223 (D): C 177.900 177.900 177.257 0.643 RESID 223 (D): CA 53.020 53.020 53.127 -0.107 RESID 223 (D): CB 39.570 39.570 40.439 -0.869 RESID 223 (D): H 8.091 8.091 7.987 0.104 RESID 224 (G): N 106.700 106.700 108.817 -2.117 RESID 224 (G): C 176.000 176.000 176.016 -0.016 RESID 224 (G): CA 45.070 45.070 46.305 -1.235 RESID 224 (G): H 7.199 7.199 7.420 -0.221 RESID 225 (T): N 122.400 122.400 117.139 5.261 RESID 225 (T): C 175.700 175.700 175.325 0.375 RESID 225 (T): CA 67.610 67.610 67.870 -0.260 RESID 225 (T): CB 66.840 66.840 68.756 -1.916 RESID 225 (T): H 9.095 9.095 8.762 0.333 RESID 226 (Y): N 121.500 121.500 121.690 -0.190 RESID 226 (Y): C 176.000 176.000 176.902 -0.902 RESID 226 (Y): CA 62.530 62.530 62.377 0.153 RESID 226 (Y): CB 38.410 38.410 38.334 0.076 RESID 226 (Y): H 8.040 8.040 7.639 0.401 RESID 227 (E): N 118.200 118.200 118.709 -0.509 RESID 227 (E): C 178.200 178.200 178.699 -0.499 RESID 227 (E): CA 58.940 58.940 59.485 -0.545 RESID 227 (E): CB 28.810 28.810 29.119 -0.309 RESID 227 (E): H 8.153 8.153 8.593 -0.440 RESID 228 (K): N 119.100 119.100 120.380 -1.280 RESID 228 (K): C 179.500 179.500 179.060 0.440 RESID 228 (K): CA 59.260 59.260 59.495 -0.235 RESID 228 (K): CB 31.520 31.520 32.418 -0.898 RESID 228 (K): H 7.558 7.558 8.381 -0.823 RESID 229 (L): N 119.100 119.100 119.384 -0.284 RESID 229 (L): C 179.300 179.300 178.827 0.473 RESID 229 (L): CA 56.970 56.970 57.713 -0.743 RESID 229 (L): CB 41.520 41.520 41.854 -0.334 RESID 229 (L): H 8.055 8.055 8.063 -0.008 RESID 230 (A): N 121.200 121.200 122.121 -0.921 RESID 230 (A): C 180.500 180.500 179.252 1.248 RESID 230 (A): CA 54.890 54.890 55.537 -0.647 RESID 230 (A): CB 17.570 17.570 17.739 -0.170 RESID 230 (A): H 8.901 8.901 8.335 0.566 RESID 231 (K): N 117.200 117.200 117.986 -0.786 RESID 231 (K): C 177.700 177.700 178.144 -0.444 RESID 231 (K): CA 57.370 57.370 58.782 -1.412 RESID 231 (K): CB 31.330 31.330 32.360 -1.030 RESID 231 (K): H 8.062 8.062 8.088 -0.025 RESID 232 (K): N 117.600 117.600 116.711 0.889 RESID 232 (K): C 176.800 176.800 179.185 -2.385 RESID 232 (K): CA 57.890 57.890 58.637 -0.747 RESID 232 (K): CB 31.150 31.150 32.564 -1.414 RESID 232 (K): H 7.053 7.053 7.457 -0.404 RESID 233 (Y): N 114.000 114.000 117.056 -3.056 RESID 233 (Y): C 175.100 175.100 175.792 -0.692 RESID 233 (Y): CA 58.110 58.110 61.227 -3.117 RESID 233 (Y): CB 39.360 39.360 38.914 0.446 RESID 233 (Y): H 7.013 7.013 8.023 -1.010 RESID 234 (F): N 116.400 116.400 113.509 2.891 RESID 234 (F): C 175.800 175.800 173.438 2.362 RESID 234 (F): CA 54.920 54.920 56.653 -1.732 RESID 234 (F): CB 41.260 41.260 42.791 -1.531 RESID 234 (F): H 8.038 8.038 8.183 -0.145 RESID 235 (D): N 123.000 123.000 121.049 1.951 RESID 235 (D): C 174.500 174.500 174.852 -0.352 RESID 235 (D): CA 52.680 52.680 53.345 -0.665 RESID 235 (D): CB 39.860 39.860 39.479 0.381 RESID 235 (D): H 8.879 8.879 8.560 0.319 RESID 236 (F): N 115.500 115.500 120.745 -5.245 RESID 236 (F): C 173.600 173.600 173.630 -0.030 RESID 236 (F): CA 53.950 53.950 56.740 -2.790 RESID 236 (F): CB 39.860 39.860 39.704 0.156 RESID 236 (F): H 6.793 6.793 7.439 -0.646 RESID 237 (D): N 119.700 119.700 122.011 -2.311 RESID 237 (D): C 175.800 175.800 177.117 -1.317 RESID 237 (D): CA 52.980 52.980 52.641 0.339 RESID 237 (D): CB 39.210 39.210 41.848 -2.638 RESID 237 (D): H 8.831 8.831 8.639 0.192 RESID 238 (V): N 129.900 129.900 122.540 7.360 RESID 238 (V): C 175.200 175.200 176.714 -1.514 RESID 238 (V): CA 61.840 61.840 65.061 -3.221 RESID 238 (V): CB 32.500 32.500 31.874 0.626 RESID 238 (V): H 7.376 7.376 8.337 -0.961 RESID 239 (Y): N 123.500 123.500 119.150 4.350 RESID 239 (Y): C 176.500 176.500 178.556 -2.056 RESID 239 (Y): CA 61.920 61.920 61.177 0.743 RESID 239 (Y): CB 38.010 38.010 37.724 0.286 RESID 239 (Y): H 8.314 8.314 7.814 0.500 RESID 240 (G): N 104.100 104.100 104.329 -0.229 RESID 240 (G): C 174.600 174.600 174.900 -0.300 RESID 240 (G): CA 45.930 45.930 45.325 0.605 RESID 240 (G): H 7.428 7.428 8.421 -0.993 N HA C CA CB H RESID 6 (P): ----- ----- -0.719 -0.622 -0.728 ----- RESID 7 (Q): -0.360 ----- -0.452 -0.646 -0.646 -0.306 RESID 8 (N): 2.014 ----- -0.263 -0.647 -1.453 -0.360 RESID 9 (I): -1.414 ----- -0.133 -0.602 -0.552 -0.731 RESID 10 (R): -0.928 ----- 0.749 -1.481 -0.681 0.961 RESID 11 (I): 3.320 ----- 0.316 0.249 -4.092 0.258 RESID 12 (G): 0.325 ----- -1.765 0.151 ----- 0.881 RESID 13 (T): -1.661 ----- 8.336 -0.283 -1.404 0.785 RESID 14 (D): -0.628 ----- 3.116 -0.431 -1.441 -0.413 RESID 15 (P): ----- ----- -1.081 -1.392 -4.467 ----- RESID 16 (T): 4.793 ----- 0.083 -2.578 -1.385 0.498 RESID 17 (Y): 3.984 ----- -0.446 -1.981 0.134 0.863 RESID 18 (A): 2.432 ----- -0.479 -4.570 -0.177 0.027 RESID 19 (P): ----- ----- -4.299 -2.347 0.188 ----- RESID 20 (F): 7.850 ----- 1.212 2.922 -3.118 -0.177 RESID 21 (E): -3.067 ----- -0.754 -0.911 -5.351 -0.825 RESID 22 (S): 4.122 ----- -0.784 -1.283 -1.215 0.443 RESID 23 (K): -2.112 ----- 2.554 -1.673 -1.750 -0.015 RESID 24 (N): 1.156 ----- 0.970 -1.445 -1.883 -0.032 RESID 25 (S): ----- ----- 0.030 -0.018 -0.194 ----- RESID 26 (Q): -0.168 ----- -0.539 -0.363 -0.449 -0.341 RESID 27 (G): 1.179 ----- -0.281 0.055 ----- 0.363 RESID 28 (E): 1.600 ----- 0.256 -1.363 -0.956 -0.300 RESID 29 (L): 2.409 ----- 0.437 0.468 -1.991 0.005 RESID 30 (V): -3.825 ----- 1.649 -1.765 -0.112 1.068 RESID 31 (G): -0.042 ----- 0.904 -1.332 ----- 1.183 RESID 32 (F): -2.677 ----- 2.018 -0.742 -0.325 0.176 RESID 33 (D): -2.447 ----- 0.988 -0.064 -1.835 1.287 RESID 34 (I): -1.083 ----- 0.055 -3.349 -4.323 -0.374 RESID 35 (D): 0.575 ----- 1.574 -0.364 0.094 0.747 RESID 36 (L): -0.345 ----- 0.505 -0.032 0.643 1.283 RESID 37 (A): -1.553 ----- -0.973 -0.076 -1.115 0.728 RESID 38 (K): -2.927 ----- 0.968 0.507 -0.529 0.605 RESID 39 (E): 2.094 ----- -1.077 -0.890 -1.511 -0.079 RESID 40 (L): 1.110 ----- -0.117 0.230 -1.514 0.726 RESID 41 (C): -2.745 ----- -1.664 -0.363 21.405 -0.032 RESID 42 (K): -0.321 ----- 1.693 -0.625 -0.926 -0.557 RESID 43 (R): 1.557 ----- 0.037 0.308 -0.246 0.448 RESID 44 (I): -5.726 ----- -0.827 -2.110 -1.571 -0.647 RESID 45 (N): 3.073 ----- -0.344 -0.957 0.702 -0.310 RESID 46 (T): 7.012 ----- 0.265 -0.255 -1.365 -0.011 RESID 47 (Q): 3.495 ----- 0.821 -0.554 -1.806 -0.321 RESID 48 (C): -0.665 ----- -0.587 -4.731 17.992 0.194 RESID 49 (T): -1.941 ----- 0.162 -1.043 -0.121 -0.556 RESID 50 (F): -2.103 ----- -0.145 0.005 0.423 0.346 RESID 51 (V): 2.581 ----- -0.008 -0.040 -1.665 0.129 RESID 52 (E): -2.026 ----- 1.701 -2.750 -1.054 -0.159 RESID 53 (N): 6.483 ----- -1.810 -0.332 5.652 0.694 RESID 54 (P): ----- ----- -0.119 -0.696 -1.448 ----- RESID 55 (L): 0.000 ----- 0.880 -1.101 0.070 0.334 RESID 56 (D): -3.637 ----- -0.827 -0.784 -0.533 0.119 RESID 57 (A): 0.484 ----- 1.044 -2.196 -0.483 -0.253 RESID 58 (L): 1.233 ----- -0.937 0.882 -1.724 -0.337 RESID 59 (I): -0.039 ----- 1.196 2.248 -0.591 1.303 RESID 60 (P): ----- ----- 0.839 -0.639 -1.270 ----- RESID 61 (S): -0.144 ----- -1.189 0.291 ----- -0.377 RESID 62 (L): 3.098 ----- 2.031 -0.328 0.040 0.073 RESID 63 (K): 1.973 ----- 0.073 0.333 -1.705 0.705 RESID 64 (A): 0.006 ----- -0.472 -0.297 -0.431 -0.285 RESID 65 (K): -1.768 ----- -0.511 -0.200 -2.199 0.074 RESID 66 (K): 2.862 ----- -0.506 -1.242 -0.843 0.640 RESID 67 (I): -5.004 ----- -1.374 0.015 -0.577 -0.205 RESID 68 (D): -2.994 ----- -3.569 0.220 1.558 1.327 RESID 69 (A): -0.890 ----- 1.048 -1.019 -0.231 -0.047 RESID 70 (I): -0.401 ----- 0.183 -0.609 0.164 1.355 RESID 71 (M): -0.541 ----- -1.511 -2.015 -0.066 0.178 RESID 72 (S): 1.656 ----- -1.006 0.906 -0.614 0.088 RESID 73 (S): 4.784 ----- 0.097 -0.972 0.098 -0.080 RESID 74 (L): -3.223 ----- -0.731 -1.281 -0.485 1.230 RESID 75 (S): 2.198 ----- 0.818 2.331 -1.695 0.272 RESID 76 (I): 9.488 ----- 0.952 1.738 -3.860 0.083 RESID 77 (T): 3.082 ----- -0.271 -2.244 -0.731 -1.018 RESID 78 (E): -0.421 ----- 1.606 -1.718 -0.643 0.024 RESID 79 (K): 0.101 ----- 1.566 -0.301 -0.693 0.045 RESID 80 (R): -0.324 ----- 0.142 0.383 0.305 0.278 RESID 81 (Q): -0.807 ----- -2.255 -1.642 0.338 0.083 RESID 82 (Q): -1.957 ----- -0.253 -1.095 -0.528 -0.618 RESID 83 (E): -1.555 ----- -0.845 -1.263 1.665 -0.256 RESID 84 (I): 3.237 ----- -1.329 0.479 -0.687 0.309 RESID 85 (A): 0.216 ----- -0.261 -1.124 0.865 0.254 RESID 86 (F): -3.646 ----- 2.972 -1.057 0.263 -0.334 RESID 87 (T): -6.777 ----- 0.905 0.762 2.662 -0.494 RESID 88 (D): -2.033 ----- -1.333 -0.754 1.051 -0.016 RESID 89 (K): 1.504 ----- -0.500 -1.708 0.320 -0.029 RESID 90 (L): -2.961 ----- 0.265 -2.864 -1.611 0.020 RESID 91 (Y): 0.443 ----- -1.079 0.506 -2.916 -0.393 RESID 92 (A): 0.515 ----- -1.165 0.823 0.746 -0.964 RESID 93 (A): -0.771 ----- -0.982 0.306 -0.027 0.282 RESID 94 (D): 1.065 ----- -0.822 -1.202 -0.268 0.757 RESID 95 (S): -1.908 ----- -1.470 0.429 -0.100 -1.040 RESID 96 (R): 4.531 ----- -0.155 1.545 -0.283 0.387 RESID 97 (L): -1.012 ----- 1.677 0.381 -1.796 1.300 RESID 98 (V): 1.305 ----- 0.666 0.895 0.642 1.504 RESID 99 (V): -3.866 ----- 0.663 -0.655 1.029 1.102 RESID 100 (A): 0.880 ----- 0.835 2.048 -1.963 0.622 RESID 101 (K): -4.056 ----- -0.192 0.380 -0.485 -1.072 RESID 102 (N): -1.235 ----- 0.239 -2.266 -1.580 -0.227 RESID 103 (S): 0.061 ----- 2.722 0.693 0.393 0.058 RESID 104 (D): -0.820 ----- 1.721 -0.979 -0.592 0.002 RESID 105 (I): -1.202 ----- -0.684 3.199 -3.002 -0.332 RESID 106 (Q): -0.559 ----- 0.701 -0.633 2.005 -0.193 RESID 107 (P): ----- ----- -0.479 -1.797 -3.906 ----- RESID 108 (T): -3.075 ----- -0.385 -3.890 -1.081 0.801 RESID 109 (V): -1.752 ----- 0.370 0.836 -2.195 0.284 RESID 110 (E): -3.920 ----- -0.250 -0.884 -0.874 0.030 RESID 111 (S): -0.219 ----- 0.589 -1.620 1.209 -1.054 RESID 112 (L): -4.298 ----- 0.014 -0.764 0.077 0.350 RESID 113 (K): 1.731 ----- 0.703 0.615 -1.389 -0.312 RESID 114 (G): 0.938 ----- -0.595 -0.110 ----- 0.100 RESID 115 (K): -1.117 ----- -1.315 -1.059 -1.302 0.653 RESID 116 (R): -1.322 ----- 0.558 -1.119 0.591 1.053 RESID 117 (V): 3.026 ----- 0.297 -0.281 -1.827 0.596 RESID 118 (G): 0.541 ----- -0.334 1.415 ----- 1.335 RESID 119 (V): -5.946 ----- 0.074 -2.186 -0.625 -0.137 RESID 120 (L): 0.248 ----- 1.237 -0.273 -1.411 0.138 RESID 121 (Q): 0.807 ----- -0.343 -0.414 -1.611 0.312 RESID 122 (G): 0.044 ----- 1.543 -0.234 ----- 0.631 RESID 123 (T): -1.696 ----- 2.406 0.242 2.901 -0.519 RESID 124 (T): 1.370 ----- 1.573 -0.685 -0.964 0.271 RESID 125 (Q): -1.818 ----- 0.213 1.905 -2.735 -0.753 RESID 126 (E): 2.142 ----- -1.293 -0.208 -0.908 -0.091 RESID 127 (T): 1.594 ----- -0.173 -0.454 -1.129 0.559 RESID 128 (F): -0.055 ----- 0.463 0.869 -0.116 0.282 RESID 129 (G): -0.119 ----- -0.379 -0.518 ----- -0.261 RESID 130 (N): 4.557 ----- 0.369 0.062 -0.625 0.352 RESID 131 (E): 2.289 ----- 0.812 1.234 -1.414 0.427 RESID 132 (H): -6.044 ----- 0.349 -1.891 0.684 0.016 RESID 133 (W): 1.841 ----- 0.610 -0.969 0.678 0.154 RESID 134 (A): 0.769 ----- 0.487 0.809 -0.829 1.177 RESID 135 (P): ----- ----- -0.047 -0.052 -0.186 ----- RESID 136 (K): -0.673 ----- -1.032 -2.354 -0.459 -0.445 RESID 137 (G): -2.272 ----- 0.783 0.367 ----- 0.196 RESID 138 (I): 5.047 ----- -0.384 0.374 -1.811 -0.585 RESID 139 (E): 1.190 ----- -1.201 0.457 -1.732 -0.102 RESID 140 (I): 7.803 ----- 1.328 -1.919 -6.119 0.282 RESID 141 (V): 7.691 ----- -0.099 -0.090 -3.753 0.406 RESID 142 (S): 2.756 ----- 1.468 0.346 -0.055 0.098 RESID 143 (Y): -2.683 ----- -0.487 -0.414 0.974 -0.295 RESID 144 (Q): -0.579 ----- 1.096 0.578 -1.386 0.230 RESID 145 (G): -0.525 ----- -0.660 -0.027 ----- -0.328 RESID 146 (Q): 1.446 ----- -0.149 -0.993 -0.435 0.090 RESID 147 (D): -0.548 ----- 0.413 -0.243 -0.846 -0.040 RESID 148 (N): -0.212 ----- -0.633 -0.435 0.602 -1.071 RESID 149 (I): 0.038 ----- -0.105 -0.612 -1.682 -0.303 RESID 150 (Y): -0.824 ----- 0.733 -1.950 -1.682 -0.500 RESID 151 (S): 2.089 ----- -0.020 -0.390 -0.119 -0.039 RESID 152 (D): -0.951 ----- 0.648 -0.297 -2.133 -0.167 RESID 153 (L): 2.945 ----- 1.746 0.612 -0.191 0.517 RESID 154 (T): -1.489 ----- 1.368 -1.432 -0.323 0.078 RESID 155 (A): 1.711 ----- 0.168 -0.681 -0.486 0.369 RESID 156 (G): 0.693 ----- -0.248 0.249 ----- -0.096 RESID 157 (R): -0.194 ----- 0.883 -0.324 -0.370 0.312 RESID 158 (I): -3.867 ----- -0.575 0.694 -1.036 -0.010 RESID 159 (D): -4.647 ----- -0.953 -0.386 1.905 0.176 RESID 160 (A): -0.035 ----- 0.585 -1.297 1.695 0.539 RESID 161 (A): 1.605 ----- -0.193 -0.535 -0.503 0.917 RESID 162 (F): 2.554 ----- -2.089 -3.732 0.598 0.566 RESID 163 (Q): 1.249 ----- -0.294 -0.083 1.241 -0.422 RESID 164 (D): 1.059 ----- -1.448 1.070 0.315 -0.137 RESID 165 (E): 5.673 ----- -0.418 0.093 0.195 -0.165 RESID 166 (V): 1.257 ----- 1.024 0.102 -0.196 0.550 RESID 167 (A): 3.129 ----- 3.406 0.270 -0.133 0.758 RESID 168 (A): -0.867 ----- 0.070 -0.374 0.322 0.439 RESID 169 (S): -0.917 ----- -0.547 -1.776 0.491 -0.118 RESID 170 (E): -4.792 ----- 1.386 -0.472 0.736 0.978 RESID 171 (G): -1.560 ----- -1.294 -0.300 ----- 0.809 RESID 172 (F): -2.407 ----- -2.484 -0.465 1.643 -1.061 RESID 173 (L): 0.064 ----- 0.707 0.816 -1.809 0.951 RESID 174 (K): -1.844 ----- 0.557 -0.830 -0.880 0.456 RESID 175 (Q): 1.719 ----- 2.057 0.303 -3.017 -0.119 RESID 176 (P): ----- ----- 1.982 0.673 -0.800 ----- RESID 177 (V): -4.986 ----- -1.994 -3.084 0.082 -0.201 RESID 178 (G): 3.930 ----- 0.213 -2.164 ----- -0.763 RESID 179 (K): 1.807 ----- -0.550 -0.095 -1.027 -0.448 RESID 180 (D): -0.068 ----- -1.965 -1.939 -1.675 0.590 RESID 181 (Y): 5.518 ----- -1.182 0.155 -0.462 0.316 RESID 182 (K): -1.875 ----- 0.624 -2.115 2.237 0.665 RESID 183 (F): -3.219 ----- 2.654 -1.124 -4.622 0.336 RESID 184 (G): 4.670 ----- -1.577 1.973 ----- 0.292 RESID 185 (G): 2.203 ----- -1.752 -0.926 ----- -0.552 RESID 186 (P): ----- ----- -0.699 -2.519 0.795 ----- RESID 187 (S): -6.117 ----- -0.174 0.485 -2.542 0.096 RESID 188 (V): 1.089 ----- 0.181 0.022 -1.474 1.162 RESID 189 (K): 3.302 ----- 2.624 -1.574 -0.643 -0.043 RESID 190 (D): -1.784 ----- -1.584 2.165 2.183 0.545 RESID 191 (E): 2.489 ----- -0.275 0.874 -1.107 0.387 RESID 192 (K): -1.294 ----- 0.161 -0.771 -0.457 -0.870 RESID 193 (L): 0.180 ----- -0.048 -1.199 0.271 1.221 RESID 194 (F): 3.358 ----- 2.346 -2.750 -2.508 0.734 RESID 195 (G): -1.939 ----- -0.368 -0.771 ----- -0.148 RESID 196 (V): -11.424 ----- -0.522 -3.305 -1.518 -0.272 RESID 197 (G): 2.961 ----- 0.290 -2.049 ----- 0.536 RESID 198 (T): -4.172 ----- -0.353 -0.246 -0.252 -0.139 RESID 199 (G): -4.290 ----- -0.483 -1.779 ----- 0.070 RESID 200 (M): 1.972 ----- 0.155 0.376 -2.143 -0.264 RESID 201 (G): 1.810 ----- -0.646 0.240 ----- 0.395 RESID 202 (L): -0.103 ----- 0.089 0.924 -0.083 0.095 RESID 203 (R): 1.536 ----- 2.489 1.684 -1.640 2.126 RESID 204 (K): -1.228 ----- 0.532 -0.110 -0.305 0.560 RESID 205 (E): -3.309 ----- -0.207 -1.008 -1.136 0.799 RESID 206 (D): 5.149 ----- 0.788 0.042 -1.162 -0.782 RESID 207 (N): -0.355 ----- -0.111 0.505 -0.074 -0.885 RESID 208 (E): 1.523 ----- 1.431 0.892 -1.816 0.441 RESID 209 (L): 2.467 ----- -1.108 -0.146 -1.182 0.507 RESID 210 (R): 0.331 ----- -0.815 0.229 0.085 -0.749 RESID 211 (E): -3.061 ----- 1.265 -0.115 -0.992 0.527 RESID 212 (A): 0.819 ----- 1.651 0.094 -0.967 0.497 RESID 213 (L): 1.589 ----- -1.220 -0.490 0.243 0.303 RESID 214 (N): 2.746 ----- 1.847 -0.617 -0.805 0.090 RESID 215 (K): 2.466 ----- -0.119 -0.306 -0.741 -0.364 RESID 216 (A): 0.430 ----- -0.013 -0.748 0.434 -0.315 RESID 217 (F): -0.623 ----- 0.216 1.103 -1.067 0.589 RESID 218 (A): 0.078 ----- 2.423 -0.400 -1.338 -0.204 RESID 219 (E): 0.977 ----- -0.403 -0.261 -1.161 0.106 RESID 220 (M): 2.729 ----- 0.469 -2.053 0.165 0.121 RESID 221 (R): 0.819 ----- 0.413 -0.220 -2.377 0.239 RESID 222 (A): 0.392 ----- 0.370 -0.447 -0.523 0.092 RESID 223 (D): 0.412 ----- 0.643 -0.107 -0.869 0.104 RESID 224 (G): -2.117 ----- -0.016 -1.235 ----- -0.221 RESID 225 (T): 5.261 ----- 0.375 -0.260 -1.916 0.333 RESID 226 (Y): -0.190 ----- -0.902 0.153 0.076 0.401 RESID 227 (E): -0.509 ----- -0.499 -0.545 -0.309 -0.440 RESID 228 (K): -1.280 ----- 0.440 -0.235 -0.898 -0.823 RESID 229 (L): -0.284 ----- 0.473 -0.743 -0.334 -0.008 RESID 230 (A): -0.921 ----- 1.248 -0.647 -0.170 0.566 RESID 231 (K): -0.786 ----- -0.444 -1.412 -1.030 -0.025 RESID 232 (K): 0.889 ----- -2.385 -0.747 -1.414 -0.404 RESID 233 (Y): -3.056 ----- -0.692 -3.117 0.446 -1.010 RESID 234 (F): 2.891 ----- 2.362 -1.732 -1.531 -0.145 RESID 235 (D): 1.951 ----- -0.352 -0.665 0.381 0.319 RESID 236 (F): -5.245 ----- -0.030 -2.790 0.156 -0.646 RESID 237 (D): -2.311 ----- -1.317 0.339 -2.638 0.192 RESID 238 (V): 7.360 ----- -1.514 -3.221 0.626 -0.961 RESID 239 (Y): 4.350 ----- -2.056 0.743 0.286 0.500 RESID 240 (G): -0.229 ----- -0.300 0.605 ----- -0.993 DATA CS_STAT_INFO N RMS: 2.891 ppm Count: 226 Average Difference: -0.171 +/- 2.892 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.284 ppm Count: 236 Average Difference: -0.108 +/- 1.282 ppm DATA CS_STAT_INFO CA RMS: 1.335 ppm Count: 236 Average Difference: 0.523 +/- 1.231 ppm DATA CS_STAT_INFO CB RMS: 2.462 ppm Count: 215 Average Difference: 0.513 +/- 2.414 ppm DATA CS_STAT_INFO HN RMS: 0.585 ppm Count: 226 Average Difference: -0.125 +/- 0.573 ppm ############################################################################ For conformer 18: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.241 0.059 RESID 5 (I): C 174.300 174.300 174.358 -0.058 RESID 5 (I): CA 57.710 57.710 59.795 -2.085 RESID 5 (I): CB 37.260 37.260 37.755 -0.496 RESID 5 (I): H 7.868 7.868 8.235 -0.367 RESID 6 (P): C 176.100 176.100 176.815 -0.715 RESID 6 (P): CA 62.180 62.180 62.806 -0.626 RESID 6 (P): CB 31.620 31.620 32.347 -0.727 RESID 7 (Q): N 119.200 119.200 119.580 -0.380 RESID 7 (Q): C 175.600 175.600 176.006 -0.406 RESID 7 (Q): CA 57.190 57.190 57.851 -0.661 RESID 7 (Q): CB 28.500 28.500 29.140 -0.640 RESID 7 (Q): H 8.380 8.380 8.682 -0.302 RESID 8 (N): N 116.300 116.300 114.438 1.862 RESID 8 (N): C 173.600 173.600 173.887 -0.287 RESID 8 (N): CA 51.720 51.720 52.390 -0.670 RESID 8 (N): CB 40.540 40.540 41.839 -1.299 RESID 8 (N): H 7.472 7.472 7.807 -0.335 RESID 9 (I): N 121.000 121.000 123.382 -2.382 RESID 9 (I): C 174.700 174.700 174.873 -0.173 RESID 9 (I): CA 59.480 59.480 60.196 -0.716 RESID 9 (I): CB 39.740 39.740 39.636 0.104 RESID 9 (I): H 8.416 8.416 9.144 -0.728 RESID 10 (R): N 126.500 126.500 127.790 -1.290 RESID 10 (R): C 175.800 175.800 175.054 0.746 RESID 10 (R): CA 53.950 53.950 55.726 -1.776 RESID 10 (R): CB 30.670 30.670 30.912 -0.242 RESID 10 (R): H 9.098 9.098 8.646 0.452 RESID 11 (I): N 127.500 127.500 124.242 3.258 RESID 11 (I): C 175.600 175.600 175.273 0.327 RESID 11 (I): CA 59.480 59.480 59.371 0.109 RESID 11 (I): CB 37.460 37.460 41.431 -3.971 RESID 11 (I): H 9.279 9.279 9.000 0.279 RESID 12 (G): N 114.800 114.800 114.304 0.496 RESID 12 (G): C 171.700 171.700 172.966 -1.266 RESID 12 (G): CA 44.540 44.540 44.280 0.260 RESID 12 (G): H 9.382 9.382 8.597 0.785 RESID 13 (T): N 120.600 120.600 121.543 -0.943 RESID 13 (T): C 181.600 181.600 173.024 8.576 RESID 13 (T): CA 61.470 61.470 62.113 -0.643 RESID 13 (T): CB 69.970 69.970 71.843 -1.873 RESID 13 (T): H 8.594 8.594 7.974 0.620 RESID 14 (D): N 127.000 127.000 127.696 -0.696 RESID 14 (D): C 177.500 177.500 174.729 2.771 RESID 14 (D): CA 49.760 49.760 50.305 -0.545 RESID 14 (D): CB 40.580 40.580 42.404 -1.824 RESID 14 (D): H 8.200 8.200 8.697 -0.497 RESID 15 (P): C 175.400 175.400 176.432 -1.032 RESID 15 (P): CA 61.920 61.920 63.321 -1.401 RESID 15 (P): CB 27.890 27.890 32.396 -4.506 RESID 16 (T): N 116.200 116.200 111.310 4.890 RESID 16 (T): C 174.000 174.000 173.893 0.107 RESID 16 (T): CA 59.560 59.560 62.140 -2.580 RESID 16 (T): CB 68.650 68.650 70.038 -1.389 RESID 16 (T): H 8.739 8.739 8.251 0.488 RESID 17 (Y): N 125.800 125.800 121.847 3.953 RESID 17 (Y): C 175.200 175.200 175.666 -0.466 RESID 17 (Y): CA 54.180 54.180 56.121 -1.941 RESID 17 (Y): CB 38.700 38.700 38.485 0.215 RESID 17 (Y): H 8.943 8.943 8.085 0.858 RESID 18 (A): N 132.100 132.100 129.663 2.437 RESID 18 (A): C 176.000 176.000 176.462 -0.462 RESID 18 (A): CA 51.490 51.490 56.055 -4.565 RESID 18 (A): CB 16.070 16.070 16.238 -0.168 RESID 18 (A): H 8.945 8.945 8.919 0.026 RESID 19 (P): C 173.500 173.500 177.787 -4.287 RESID 19 (P): CA 62.890 62.890 65.241 -2.351 RESID 19 (P): CB 31.790 31.790 31.588 0.202 RESID 20 (F): N 125.100 125.100 117.319 7.781 RESID 20 (F): C 176.700 176.700 175.096 1.604 RESID 20 (F): CA 62.420 62.420 59.701 2.719 RESID 20 (F): CB 37.980 37.980 41.051 -3.071 RESID 20 (F): H 8.117 8.117 8.239 -0.122 RESID 21 (E): N 111.800 111.800 114.511 -2.711 RESID 21 (E): C 173.600 173.600 174.434 -0.834 RESID 21 (E): CA 54.400 54.400 55.241 -0.841 RESID 21 (E): CB 28.770 28.770 34.144 -5.374 RESID 21 (E): H 7.701 7.701 8.490 -0.789 RESID 22 (S): N 117.200 117.200 113.157 4.043 RESID 22 (S): C 171.500 171.500 172.281 -0.781 RESID 22 (S): CA 57.290 57.290 58.560 -1.270 RESID 22 (S): CB 62.940 62.940 64.161 -1.221 RESID 22 (S): H 8.750 8.750 8.319 0.431 RESID 23 (K): N 117.400 117.400 119.255 -1.855 RESID 23 (K): C 177.600 177.600 174.996 2.604 RESID 23 (K): CA 53.700 53.700 55.373 -1.673 RESID 23 (K): CB 33.330 33.330 35.143 -1.813 RESID 23 (K): H 8.238 8.238 8.232 0.006 RESID 24 (N): N 122.400 122.400 120.799 1.601 RESID 24 (N): C 178.000 178.000 176.947 1.053 RESID 24 (N): CA 50.600 50.600 51.914 -1.314 RESID 24 (N): CB 38.140 38.140 40.010 -1.870 RESID 24 (N): H 8.584 8.584 8.518 0.066 RESID 25 (S): C 175.400 175.400 175.437 -0.037 RESID 25 (S): CA 60.970 60.970 60.937 0.033 RESID 25 (S): CB 62.410 62.410 62.585 -0.175 RESID 26 (Q): N 119.300 119.300 119.490 -0.190 RESID 26 (Q): C 176.200 176.200 176.784 -0.584 RESID 26 (Q): CA 55.180 55.180 55.593 -0.413 RESID 26 (Q): CB 28.260 28.260 28.742 -0.482 RESID 26 (Q): H 7.520 7.520 7.874 -0.354 RESID 27 (G): N 108.800 108.800 107.554 1.246 RESID 27 (G): C 173.700 173.700 173.974 -0.274 RESID 27 (G): CA 45.050 45.050 44.974 0.076 RESID 27 (G): H 8.169 8.169 7.808 0.361 RESID 28 (E): N 121.200 121.200 119.572 1.628 RESID 28 (E): C 175.800 175.800 175.543 0.257 RESID 28 (E): CA 54.490 54.490 55.829 -1.339 RESID 28 (E): CB 29.750 29.750 30.717 -0.967 RESID 28 (E): H 7.836 7.836 8.130 -0.294 RESID 29 (L): N 123.500 123.500 121.099 2.401 RESID 29 (L): C 176.400 176.400 175.901 0.499 RESID 29 (L): CA 54.310 54.310 53.883 0.427 RESID 29 (L): CB 41.180 41.180 42.984 -1.804 RESID 29 (L): H 8.281 8.281 8.274 0.007 RESID 30 (V): N 118.200 118.200 122.675 -4.475 RESID 30 (V): C 175.300 175.300 173.585 1.715 RESID 30 (V): CA 58.360 58.360 60.097 -1.737 RESID 30 (V): CB 36.080 36.080 35.972 0.108 RESID 30 (V): H 8.900 8.900 7.915 0.985 RESID 31 (G): N 109.800 109.800 110.508 -0.708 RESID 31 (G): C 174.400 174.400 173.535 0.865 RESID 31 (G): CA 43.830 43.830 45.222 -1.392 RESID 31 (G): H 8.611 8.611 7.501 1.110 RESID 32 (F): N 119.900 119.900 122.823 -2.923 RESID 32 (F): C 177.900 177.900 175.990 1.910 RESID 32 (F): CA 59.800 59.800 60.115 -0.315 RESID 32 (F): CB 38.950 38.950 39.263 -0.313 RESID 32 (F): H 8.295 8.295 8.240 0.055 RESID 33 (D): N 116.500 116.500 118.943 -2.443 RESID 33 (D): C 179.100 179.100 178.102 0.998 RESID 33 (D): CA 56.180 56.180 56.276 -0.097 RESID 33 (D): CB 38.610 38.610 40.385 -1.775 RESID 33 (D): H 8.935 8.935 7.461 1.474 RESID 34 (I): N 118.800 118.800 119.706 -0.906 RESID 34 (I): C 178.000 178.000 177.932 0.068 RESID 34 (I): CA 60.950 60.950 64.349 -3.398 RESID 34 (I): CB 33.620 33.620 37.910 -4.290 RESID 34 (I): H 6.535 6.535 6.908 -0.373 RESID 35 (D): N 121.000 121.000 120.391 0.609 RESID 35 (D): C 180.300 180.300 178.681 1.619 RESID 35 (D): CA 57.100 57.100 57.409 -0.309 RESID 35 (D): CB 40.420 40.420 40.305 0.115 RESID 35 (D): H 8.536 8.536 7.782 0.754 RESID 36 (L): N 120.500 120.500 120.933 -0.433 RESID 36 (L): C 178.500 178.500 177.985 0.515 RESID 36 (L): CA 57.720 57.720 57.809 -0.089 RESID 36 (L): CB 42.230 42.230 41.569 0.661 RESID 36 (L): H 8.508 8.508 7.216 1.292 RESID 37 (A): N 120.200 120.200 121.848 -1.648 RESID 37 (A): C 178.600 178.600 179.509 -0.909 RESID 37 (A): CA 55.170 55.170 55.333 -0.163 RESID 37 (A): CB 17.340 17.340 18.406 -1.066 RESID 37 (A): H 8.383 8.383 7.638 0.745 RESID 38 (K): N 116.400 116.400 119.268 -2.868 RESID 38 (K): C 180.100 180.100 179.165 0.935 RESID 38 (K): CA 60.530 60.530 60.028 0.502 RESID 38 (K): CB 31.840 31.840 32.333 -0.493 RESID 38 (K): H 8.780 8.780 8.115 0.665 RESID 39 (E): N 121.500 121.500 119.323 2.177 RESID 39 (E): C 178.300 178.300 179.391 -1.091 RESID 39 (E): CA 58.430 58.430 59.330 -0.900 RESID 39 (E): CB 27.990 27.990 29.514 -1.524 RESID 39 (E): H 7.692 7.692 7.796 -0.104 RESID 40 (L): N 121.500 121.500 120.373 1.127 RESID 40 (L): C 178.700 178.700 178.844 -0.144 RESID 40 (L): CA 58.490 58.490 58.266 0.224 RESID 40 (L): CB 40.250 40.250 41.749 -1.499 RESID 40 (L): H 8.563 8.563 7.941 0.622 RESID 41 (C): N 115.700 115.700 118.545 -2.845 RESID 41 (C): C 175.800 175.800 177.478 -1.678 RESID 41 (C): CA 62.390 62.390 62.789 -0.399 RESID 41 (C): CB 46.860 46.860 25.456 21.404 RESID 41 (C): H 8.598 8.598 8.764 -0.166 RESID 42 (K): N 119.300 119.300 119.589 -0.289 RESID 42 (K): C 180.800 180.800 179.178 1.622 RESID 42 (K): CA 58.810 58.810 59.462 -0.652 RESID 42 (K): CB 31.430 31.430 32.355 -0.925 RESID 42 (K): H 7.490 7.490 8.087 -0.597 RESID 43 (R): N 119.500 119.500 118.112 1.388 RESID 43 (R): C 178.700 178.700 178.676 0.024 RESID 43 (R): CA 58.760 58.760 58.486 0.274 RESID 43 (R): CB 29.980 29.980 30.198 -0.218 RESID 43 (R): H 8.057 8.057 7.561 0.496 RESID 44 (I): N 111.800 111.800 117.520 -5.720 RESID 44 (I): C 175.000 175.000 175.816 -0.816 RESID 44 (I): CA 60.940 60.940 63.088 -2.148 RESID 44 (I): CB 36.630 36.630 38.167 -1.537 RESID 44 (I): H 7.765 7.765 8.460 -0.695 RESID 45 (N): N 118.800 118.800 115.725 3.075 RESID 45 (N): C 173.600 173.600 173.944 -0.344 RESID 45 (N): CA 53.670 53.670 54.622 -0.952 RESID 45 (N): CB 36.620 36.620 35.906 0.714 RESID 45 (N): H 7.752 7.752 8.027 -0.275 RESID 46 (T): N 112.800 112.800 105.660 7.140 RESID 46 (T): C 173.100 173.100 172.800 0.300 RESID 46 (T): CA 60.020 60.020 60.325 -0.305 RESID 46 (T): CB 70.500 70.500 71.814 -1.314 RESID 46 (T): H 7.920 7.920 7.947 -0.027 RESID 47 (Q): N 123.500 123.500 119.933 3.567 RESID 47 (Q): C 175.400 175.400 174.581 0.819 RESID 47 (Q): CA 54.550 54.550 55.063 -0.513 RESID 47 (Q): CB 28.670 28.670 30.591 -1.921 RESID 47 (Q): H 8.037 8.037 8.309 -0.272 RESID 48 (C): N 123.800 123.800 124.207 -0.407 RESID 48 (C): C 173.800 173.800 174.461 -0.661 RESID 48 (C): CA 53.170 53.170 57.810 -4.640 RESID 48 (C): CB 47.290 47.290 29.435 17.855 RESID 48 (C): H 8.881 8.881 8.675 0.206 RESID 49 (T): N 118.600 118.600 120.648 -2.048 RESID 49 (T): C 172.700 172.700 172.561 0.139 RESID 49 (T): CA 60.210 60.210 61.237 -1.027 RESID 49 (T): CB 70.980 70.980 71.018 -0.038 RESID 49 (T): H 8.324 8.324 8.836 -0.512 RESID 50 (F): N 123.800 123.800 126.020 -2.220 RESID 50 (F): C 175.800 175.800 175.928 -0.128 RESID 50 (F): CA 57.370 57.370 57.440 -0.070 RESID 50 (F): CB 40.730 40.730 40.216 0.514 RESID 50 (F): H 8.982 8.982 8.646 0.336 RESID 51 (V): N 126.300 126.300 123.894 2.406 RESID 51 (V): C 174.700 174.700 174.748 -0.048 RESID 51 (V): CA 60.650 60.650 60.685 -0.035 RESID 51 (V): CB 33.700 33.700 35.299 -1.599 RESID 51 (V): H 9.271 9.271 9.066 0.205 RESID 52 (E): N 126.900 126.900 129.105 -2.205 RESID 52 (E): C 176.900 176.900 175.250 1.650 RESID 52 (E): CA 54.480 54.480 57.279 -2.799 RESID 52 (E): CB 29.350 29.350 30.376 -1.026 RESID 52 (E): H 8.617 8.617 8.774 -0.157 RESID 53 (N): N 127.100 127.100 120.844 6.256 RESID 53 (N): C 170.600 170.600 172.409 -1.809 RESID 53 (N): CA 51.220 51.220 51.426 -0.206 RESID 53 (N): CB 43.980 43.980 38.362 5.618 RESID 53 (N): H 8.917 8.917 8.234 0.683 RESID 54 (P): C 178.600 178.600 178.714 -0.114 RESID 54 (P): CA 61.650 61.650 62.352 -0.702 RESID 54 (P): CB 31.460 31.460 32.940 -1.480 RESID 55 (L): N 124.200 124.200 124.123 0.077 RESID 55 (L): C 179.600 179.600 178.716 0.884 RESID 55 (L): CA 58.130 58.130 59.210 -1.080 RESID 55 (L): CB 41.470 41.470 41.407 0.063 RESID 55 (L): H 9.096 9.096 8.767 0.329 RESID 56 (D): N 115.400 115.400 119.006 -3.606 RESID 56 (D): C 176.500 176.500 177.322 -0.822 RESID 56 (D): CA 56.080 56.080 56.853 -0.773 RESID 56 (D): CB 39.640 39.640 40.181 -0.541 RESID 56 (D): H 8.651 8.651 8.531 0.120 RESID 57 (A): N 120.400 120.400 119.921 0.479 RESID 57 (A): C 180.000 180.000 178.953 1.047 RESID 57 (A): CA 51.440 51.440 53.611 -2.171 RESID 57 (A): CB 19.170 19.170 19.644 -0.474 RESID 57 (A): H 8.079 8.079 8.342 -0.263 RESID 58 (L): N 122.300 122.300 121.169 1.131 RESID 58 (L): C 177.800 177.800 178.756 -0.956 RESID 58 (L): CA 58.960 58.960 58.096 0.864 RESID 58 (L): CB 40.150 40.150 41.910 -1.760 RESID 58 (L): H 7.783 7.783 8.060 -0.277 RESID 59 (I): N 119.600 119.600 119.500 0.100 RESID 59 (I): C 176.400 176.400 175.143 1.257 RESID 59 (I): CA 68.170 68.170 66.539 1.631 RESID 59 (I): CB 33.980 33.980 34.689 -0.709 RESID 59 (I): H 9.094 9.094 7.707 1.387 RESID 60 (P): C 180.100 180.100 179.240 0.860 RESID 60 (P): CA 65.890 65.890 66.481 -0.591 RESID 60 (P): CB 29.980 29.980 31.259 -1.279 RESID 61 (S): N 114.800 114.800 114.900 -0.100 RESID 61 (S): C 175.500 175.500 176.715 -1.215 RESID 61 (S): CA 62.170 62.170 61.716 0.454 RESID 61 (S): H 7.865 7.865 8.200 -0.335 RESID 62 (L): N 126.200 126.200 123.014 3.186 RESID 62 (L): C 181.000 181.000 179.064 1.936 RESID 62 (L): CA 57.400 57.400 57.744 -0.344 RESID 62 (L): CB 41.820 41.820 41.814 0.006 RESID 62 (L): H 8.296 8.296 8.114 0.182 RESID 63 (K): N 121.000 121.000 119.135 1.865 RESID 63 (K): C 178.000 178.000 178.247 -0.247 RESID 63 (K): CA 59.500 59.500 59.261 0.239 RESID 63 (K): CB 30.770 30.770 32.464 -1.694 RESID 63 (K): H 8.461 8.461 7.727 0.734 RESID 64 (A): N 118.700 118.700 118.527 0.173 RESID 64 (A): C 176.200 176.200 176.659 -0.459 RESID 64 (A): CA 51.680 51.680 51.919 -0.239 RESID 64 (A): CB 18.140 18.140 18.445 -0.305 RESID 64 (A): H 7.686 7.686 7.883 -0.197 RESID 65 (K): N 112.200 112.200 113.997 -1.797 RESID 65 (K): C 176.000 176.000 176.454 -0.454 RESID 65 (K): CA 57.800 57.800 57.969 -0.169 RESID 65 (K): CB 27.730 27.730 29.887 -2.157 RESID 65 (K): H 7.751 7.751 7.697 0.054 RESID 66 (K): N 118.300 118.300 115.425 2.875 RESID 66 (K): C 176.600 176.600 177.151 -0.551 RESID 66 (K): CA 57.200 57.200 58.461 -1.261 RESID 66 (K): CB 32.170 32.170 33.016 -0.846 RESID 66 (K): H 8.415 8.415 7.822 0.593 RESID 67 (I): N 107.500 107.500 112.655 -5.155 RESID 67 (I): C 174.000 174.000 175.409 -1.409 RESID 67 (I): CA 59.050 59.050 59.067 -0.017 RESID 67 (I): CB 40.470 40.470 41.000 -0.530 RESID 67 (I): H 7.034 7.034 7.260 -0.226 RESID 68 (D): N 119.000 119.000 122.451 -3.451 RESID 68 (D): C 172.200 172.200 175.948 -3.748 RESID 68 (D): CA 55.560 55.560 55.285 0.275 RESID 68 (D): CB 44.210 44.210 42.521 1.689 RESID 68 (D): H 9.739 9.739 8.483 1.256 RESID 69 (A): N 117.400 117.400 118.355 -0.955 RESID 69 (A): C 175.900 175.900 174.812 1.088 RESID 69 (A): CA 50.120 50.120 51.169 -1.049 RESID 69 (A): CB 21.960 21.960 22.168 -0.208 RESID 69 (A): H 7.660 7.660 7.779 -0.119 RESID 70 (I): N 120.500 120.500 120.937 -0.437 RESID 70 (I): C 174.500 174.500 174.518 -0.018 RESID 70 (I): CA 60.060 60.060 60.620 -0.560 RESID 70 (I): CB 41.190 41.190 40.925 0.265 RESID 70 (I): H 9.402 9.402 8.133 1.269 RESID 71 (M): N 128.300 128.300 129.307 -1.007 RESID 71 (M): C 172.500 172.500 173.724 -1.224 RESID 71 (M): CA 53.040 53.040 55.045 -2.005 RESID 71 (M): CB 33.940 33.940 34.204 -0.264 RESID 71 (M): H 8.431 8.431 8.224 0.207 RESID 72 (S): N 122.700 122.700 120.184 2.516 RESID 72 (S): C 172.800 172.800 174.727 -1.927 RESID 72 (S): CA 57.630 57.630 56.530 1.100 RESID 72 (S): CB 64.590 64.590 65.141 -0.551 RESID 72 (S): H 8.717 8.717 8.565 0.152 RESID 73 (S): N 120.600 120.600 115.533 5.067 RESID 73 (S): C 174.900 174.900 174.836 0.064 RESID 73 (S): CA 58.590 58.590 59.641 -1.051 RESID 73 (S): CB 62.920 62.920 62.791 0.129 RESID 73 (S): H 8.570 8.570 8.650 -0.080 RESID 74 (L): N 120.700 120.700 124.363 -3.663 RESID 74 (L): C 175.300 175.300 175.846 -0.546 RESID 74 (L): CA 54.320 54.320 55.667 -1.347 RESID 74 (L): CB 42.350 42.350 42.873 -0.523 RESID 74 (L): H 8.678 8.678 7.339 1.339 RESID 75 (S): N 122.000 122.000 119.760 2.240 RESID 75 (S): C 174.500 174.500 173.688 0.812 RESID 75 (S): CA 59.250 59.250 57.162 2.088 RESID 75 (S): CB 63.060 63.060 64.660 -1.601 RESID 75 (S): H 8.142 8.142 7.862 0.280 RESID 76 (I): N 125.200 125.200 115.826 9.374 RESID 76 (I): C 175.500 175.500 174.610 0.890 RESID 76 (I): CA 61.340 61.340 59.551 1.789 RESID 76 (I): CB 35.790 35.790 39.610 -3.820 RESID 76 (I): H 8.307 8.307 8.297 0.010 RESID 77 (T): N 116.600 116.600 113.534 3.066 RESID 77 (T): C 174.800 174.800 175.090 -0.290 RESID 77 (T): CA 57.760 57.760 59.953 -2.193 RESID 77 (T): CB 71.570 71.570 72.311 -0.741 RESID 77 (T): H 6.513 6.513 7.524 -1.011 RESID 78 (E): N 124.500 124.500 124.938 -0.438 RESID 78 (E): C 179.500 179.500 177.889 1.611 RESID 78 (E): CA 59.140 59.140 60.870 -1.730 RESID 78 (E): CB 28.630 28.630 29.260 -0.630 RESID 78 (E): H 8.935 8.935 8.923 0.012 RESID 79 (K): N 118.400 118.400 118.350 0.050 RESID 79 (K): C 180.600 180.600 179.063 1.537 RESID 79 (K): CA 58.890 58.890 59.196 -0.306 RESID 79 (K): CB 31.610 31.610 32.300 -0.690 RESID 79 (K): H 8.415 8.415 8.366 0.049 RESID 80 (R): N 118.500 118.500 118.817 -0.317 RESID 80 (R): C 179.100 179.100 178.960 0.140 RESID 80 (R): CA 59.580 59.580 59.218 0.362 RESID 80 (R): CB 30.380 30.380 30.099 0.281 RESID 80 (R): H 7.678 7.678 7.408 0.270 RESID 81 (Q): N 119.000 119.000 119.749 -0.749 RESID 81 (Q): C 176.600 176.600 178.943 -2.343 RESID 81 (Q): CA 57.510 57.510 58.992 -1.482 RESID 81 (Q): CB 28.880 28.880 28.578 0.302 RESID 81 (Q): H 8.418 8.418 8.295 0.123 RESID 82 (Q): N 115.300 115.300 117.696 -2.396 RESID 82 (Q): C 177.400 177.400 177.827 -0.427 RESID 82 (Q): CA 57.280 57.280 58.355 -1.075 RESID 82 (Q): CB 27.950 27.950 28.508 -0.558 RESID 82 (Q): H 7.297 7.297 7.949 -0.652 RESID 83 (E): N 115.600 115.600 117.696 -2.096 RESID 83 (E): C 176.400 176.400 177.313 -0.913 RESID 83 (E): CA 56.950 56.950 58.346 -1.396 RESID 83 (E): CB 33.090 33.090 31.195 1.895 RESID 83 (E): H 7.627 7.627 7.926 -0.299 RESID 84 (I): N 115.100 115.100 111.847 3.253 RESID 84 (I): C 172.600 172.600 173.921 -1.321 RESID 84 (I): CA 59.380 59.380 58.921 0.459 RESID 84 (I): CB 40.830 40.830 41.491 -0.661 RESID 84 (I): H 8.275 8.275 7.998 0.277 RESID 85 (A): N 120.600 120.600 120.375 0.225 RESID 85 (A): C 175.000 175.000 175.202 -0.202 RESID 85 (A): CA 49.150 49.150 50.233 -1.083 RESID 85 (A): CB 22.280 22.280 21.513 0.767 RESID 85 (A): H 8.679 8.679 8.450 0.229 RESID 86 (F): N 115.500 115.500 118.882 -3.382 RESID 86 (F): C 178.800 178.800 175.869 2.931 RESID 86 (F): CA 55.850 55.850 56.759 -0.909 RESID 86 (F): CB 44.300 44.300 44.030 0.270 RESID 86 (F): H 8.283 8.283 8.607 -0.324 RESID 87 (T): N 108.200 108.200 114.783 -6.583 RESID 87 (T): C 174.700 174.700 173.817 0.883 RESID 87 (T): CA 61.930 61.930 61.019 0.911 RESID 87 (T): CB 72.740 72.740 70.142 2.598 RESID 87 (T): H 7.898 7.898 8.306 -0.408 RESID 88 (D): N 118.400 118.400 120.066 -1.666 RESID 88 (D): C 174.300 174.300 174.962 -0.662 RESID 88 (D): CA 55.030 55.030 55.802 -0.772 RESID 88 (D): CB 40.870 40.870 39.784 1.086 RESID 88 (D): H 8.789 8.789 8.773 0.016 RESID 89 (K): N 118.100 118.100 116.154 1.946 RESID 89 (K): C 176.200 176.200 177.015 -0.815 RESID 89 (K): CA 55.570 55.570 57.224 -1.654 RESID 89 (K): CB 31.850 31.850 31.662 0.188 RESID 89 (K): H 7.666 7.666 7.630 0.036 RESID 90 (L): N 123.400 123.400 124.155 -0.755 RESID 90 (L): C 178.000 178.000 177.663 0.337 RESID 90 (L): CA 54.450 54.450 57.136 -2.687 RESID 90 (L): CB 41.710 41.710 43.085 -1.375 RESID 90 (L): H 8.778 8.778 8.524 0.254 RESID 91 (Y): N 110.500 110.500 111.290 -0.790 RESID 91 (Y): C 172.600 172.600 173.311 -0.711 RESID 91 (Y): CA 56.070 56.070 56.190 -0.119 RESID 91 (Y): CB 37.670 37.670 40.378 -2.708 RESID 91 (Y): H 6.810 6.810 7.246 -0.436 RESID 92 (A): N 123.100 123.100 122.417 0.683 RESID 92 (A): C 175.600 175.600 176.686 -1.086 RESID 92 (A): CA 51.940 51.940 51.016 0.924 RESID 92 (A): CB 20.320 20.320 19.589 0.731 RESID 92 (A): H 8.135 8.135 9.076 -0.941 RESID 93 (A): N 127.000 127.000 127.761 -0.761 RESID 93 (A): C 175.700 175.700 176.626 -0.926 RESID 93 (A): CA 51.020 51.020 50.605 0.415 RESID 93 (A): CB 18.310 18.310 18.356 -0.046 RESID 93 (A): H 8.658 8.658 8.244 0.414 RESID 94 (D): N 122.900 122.900 121.618 1.282 RESID 94 (D): C 175.300 175.300 176.131 -0.831 RESID 94 (D): CA 53.910 53.910 55.149 -1.239 RESID 94 (D): CB 42.030 42.030 42.243 -0.214 RESID 94 (D): H 8.497 8.497 7.748 0.749 RESID 95 (S): N 110.300 110.300 112.140 -1.840 RESID 95 (S): C 171.600 171.600 173.061 -1.461 RESID 95 (S): CA 57.850 57.850 57.394 0.456 RESID 95 (S): CB 66.410 66.410 66.495 -0.085 RESID 95 (S): H 6.844 6.844 7.878 -1.034 RESID 96 (R): N 124.300 124.300 119.780 4.520 RESID 96 (R): C 173.700 173.700 173.864 -0.164 RESID 96 (R): CA 57.450 57.450 55.900 1.550 RESID 96 (R): CB 34.070 34.070 34.350 -0.280 RESID 96 (R): H 9.227 9.227 8.835 0.392 RESID 97 (L): N 124.100 124.100 125.119 -1.019 RESID 97 (L): C 177.600 177.600 175.927 1.673 RESID 97 (L): CA 54.150 54.150 53.813 0.337 RESID 97 (L): CB 42.640 42.640 44.391 -1.751 RESID 97 (L): H 9.343 9.343 8.060 1.283 RESID 98 (V): N 124.500 124.500 123.670 0.830 RESID 98 (V): C 175.700 175.700 175.002 0.698 RESID 98 (V): CA 61.770 61.770 60.875 0.895 RESID 98 (V): CB 32.950 32.950 32.457 0.493 RESID 98 (V): H 9.500 9.500 8.047 1.453 RESID 99 (V): N 116.800 116.800 122.252 -5.452 RESID 99 (V): C 174.600 174.600 173.856 0.744 RESID 99 (V): CA 58.190 58.190 58.472 -0.282 RESID 99 (V): CB 36.780 36.780 35.536 1.244 RESID 99 (V): H 9.192 9.192 8.208 0.984 RESID 100 (A): N 123.400 123.400 122.545 0.855 RESID 100 (A): C 179.200 179.200 178.456 0.744 RESID 100 (A): CA 52.690 52.690 50.651 2.039 RESID 100 (A): CB 18.160 18.160 20.023 -1.863 RESID 100 (A): H 9.043 9.043 8.376 0.667 RESID 101 (K): N 119.600 119.600 123.647 -4.047 RESID 101 (K): C 176.800 176.800 177.006 -0.206 RESID 101 (K): CA 59.360 59.360 58.975 0.385 RESID 101 (K): CB 31.380 31.380 31.860 -0.480 RESID 101 (K): H 7.840 7.840 8.909 -1.069 RESID 102 (N): N 114.400 114.400 115.569 -1.169 RESID 102 (N): C 175.500 175.500 175.252 0.248 RESID 102 (N): CA 52.330 52.330 54.638 -2.308 RESID 102 (N): CB 36.990 36.990 38.616 -1.626 RESID 102 (N): H 7.941 7.941 8.172 -0.231 RESID 103 (S): N 114.800 114.800 114.664 0.136 RESID 103 (S): C 176.000 176.000 173.269 2.731 RESID 103 (S): CA 58.180 58.180 57.494 0.686 RESID 103 (S): CB 64.310 64.310 63.927 0.383 RESID 103 (S): H 7.700 7.700 7.632 0.068 RESID 104 (D): N 128.500 128.500 129.305 -0.805 RESID 104 (D): C 176.700 176.700 174.989 1.711 RESID 104 (D): CA 52.990 52.990 53.968 -0.978 RESID 104 (D): CB 40.330 40.330 40.927 -0.597 RESID 104 (D): H 8.548 8.548 8.547 0.001 RESID 105 (I): N 122.800 122.800 124.000 -1.200 RESID 105 (I): C 173.800 173.800 174.517 -0.717 RESID 105 (I): CA 63.580 63.580 60.382 3.198 RESID 105 (I): CB 37.490 37.490 40.475 -2.985 RESID 105 (I): H 7.826 7.826 8.160 -0.334 RESID 106 (Q): N 124.600 124.600 125.182 -0.582 RESID 106 (Q): C 174.700 174.700 174.023 0.677 RESID 106 (Q): CA 51.380 51.380 52.037 -0.657 RESID 106 (Q): CB 31.050 31.050 29.031 2.019 RESID 106 (Q): H 8.174 8.174 8.373 -0.199 RESID 107 (P): C 175.300 175.300 175.781 -0.481 RESID 107 (P): CA 61.880 61.880 63.668 -1.788 RESID 107 (P): CB 26.860 26.860 30.768 -3.908 RESID 108 (T): N 114.600 114.600 117.697 -3.097 RESID 108 (T): C 174.000 174.000 174.390 -0.390 RESID 108 (T): CA 57.690 57.690 61.601 -3.911 RESID 108 (T): CB 71.020 71.020 72.084 -1.064 RESID 108 (T): H 8.531 8.531 7.735 0.796 RESID 109 (V): N 121.800 121.800 123.581 -1.781 RESID 109 (V): C 177.300 177.300 176.932 0.368 RESID 109 (V): CA 65.600 65.600 64.774 0.826 RESID 109 (V): CB 30.580 30.580 32.771 -2.191 RESID 109 (V): H 8.775 8.775 8.491 0.284 RESID 110 (E): N 116.900 116.900 120.813 -3.913 RESID 110 (E): C 178.400 178.400 178.656 -0.256 RESID 110 (E): CA 59.260 59.260 60.143 -0.883 RESID 110 (E): CB 28.170 28.170 29.044 -0.874 RESID 110 (E): H 8.414 8.414 8.387 0.027 RESID 111 (S): N 113.200 113.200 113.425 -0.225 RESID 111 (S): C 176.500 176.500 175.921 0.579 RESID 111 (S): CA 59.370 59.370 60.987 -1.617 RESID 111 (S): CB 63.730 63.730 62.527 1.203 RESID 111 (S): H 7.387 7.387 8.437 -1.050 RESID 112 (L): N 116.100 116.100 120.399 -4.299 RESID 112 (L): C 176.700 176.700 176.699 0.001 RESID 112 (L): CA 54.580 54.580 55.377 -0.797 RESID 112 (L): CB 42.650 42.650 42.564 0.086 RESID 112 (L): H 7.676 7.676 7.326 0.350 RESID 113 (K): N 121.000 121.000 119.220 1.780 RESID 113 (K): C 178.200 178.200 177.502 0.698 RESID 113 (K): CA 58.850 58.850 58.232 0.618 RESID 113 (K): CB 30.850 30.850 32.247 -1.397 RESID 113 (K): H 7.445 7.445 7.750 -0.305 RESID 114 (G): N 113.900 113.900 112.934 0.966 RESID 114 (G): C 174.200 174.200 174.796 -0.596 RESID 114 (G): CA 45.240 45.240 45.364 -0.124 RESID 114 (G): H 8.454 8.454 8.355 0.099 RESID 115 (K): N 120.600 120.600 121.708 -1.108 RESID 115 (K): C 174.800 174.800 176.123 -1.323 RESID 115 (K): CA 53.710 53.710 54.744 -1.034 RESID 115 (K): CB 31.990 31.990 33.284 -1.294 RESID 115 (K): H 8.530 8.530 7.878 0.652 RESID 116 (R): N 119.300 119.300 120.833 -1.533 RESID 116 (R): C 176.000 176.000 175.434 0.566 RESID 116 (R): CA 54.720 54.720 55.748 -1.028 RESID 116 (R): CB 32.310 32.310 31.795 0.515 RESID 116 (R): H 9.455 9.455 8.447 1.008 RESID 117 (V): N 126.100 126.100 123.230 2.870 RESID 117 (V): C 175.300 175.300 174.941 0.359 RESID 117 (V): CA 60.090 60.090 60.230 -0.140 RESID 117 (V): CB 33.620 33.620 35.571 -1.951 RESID 117 (V): H 9.217 9.217 8.616 0.601 RESID 118 (G): N 114.000 114.000 113.657 0.343 RESID 118 (G): C 172.300 172.300 172.528 -0.228 RESID 118 (G): CA 45.010 45.010 43.630 1.380 RESID 118 (G): H 9.367 9.367 8.077 1.290 RESID 119 (V): N 116.400 116.400 122.382 -5.982 RESID 119 (V): C 174.100 174.100 174.029 0.071 RESID 119 (V): CA 58.270 58.270 60.448 -2.178 RESID 119 (V): CB 36.370 36.370 36.994 -0.624 RESID 119 (V): H 9.166 9.166 9.301 -0.135 RESID 120 (L): N 124.400 124.400 124.153 0.247 RESID 120 (L): C 176.900 176.900 175.665 1.235 RESID 120 (L): CA 53.690 53.690 53.969 -0.279 RESID 120 (L): CB 41.240 41.240 42.641 -1.401 RESID 120 (L): H 8.961 8.961 8.824 0.137 RESID 121 (Q): N 128.000 128.000 127.189 0.811 RESID 121 (Q): C 176.900 176.900 177.242 -0.342 RESID 121 (Q): CA 56.680 56.680 57.097 -0.417 RESID 121 (Q): CB 27.920 27.920 29.531 -1.611 RESID 121 (Q): H 9.305 9.305 9.000 0.305 RESID 122 (G): N 113.600 113.600 113.536 0.064 RESID 122 (G): C 175.100 175.100 173.559 1.541 RESID 122 (G): CA 45.240 45.240 45.476 -0.236 RESID 122 (G): H 9.383 9.383 8.751 0.632 RESID 123 (T): N 108.400 108.400 110.102 -1.702 RESID 123 (T): C 176.800 176.800 174.418 2.382 RESID 123 (T): CA 60.260 60.260 60.003 0.257 RESID 123 (T): CB 73.530 73.530 70.642 2.888 RESID 123 (T): H 7.220 7.220 7.737 -0.517 RESID 124 (T): N 113.900 113.900 112.535 1.365 RESID 124 (T): C 178.100 178.100 176.525 1.575 RESID 124 (T): CA 63.990 63.990 64.688 -0.698 RESID 124 (T): CB 67.740 67.740 68.708 -0.968 RESID 124 (T): H 8.934 8.934 8.659 0.275 RESID 125 (Q): N 120.600 120.600 122.410 -1.810 RESID 125 (Q): C 178.300 178.300 178.088 0.212 RESID 125 (Q): CA 61.670 61.670 59.759 1.911 RESID 125 (Q): CB 25.310 25.310 28.047 -2.737 RESID 125 (Q): H 7.521 7.521 8.272 -0.751 RESID 126 (E): N 121.900 121.900 119.800 2.100 RESID 126 (E): C 177.600 177.600 178.899 -1.299 RESID 126 (E): CA 59.630 59.630 59.843 -0.213 RESID 126 (E): CB 28.730 28.730 29.639 -0.909 RESID 126 (E): H 7.717 7.717 7.814 -0.097 RESID 127 (T): N 117.800 117.800 116.203 1.597 RESID 127 (T): C 176.200 176.200 176.363 -0.163 RESID 127 (T): CA 66.340 66.340 66.882 -0.543 RESID 127 (T): CB 67.590 67.590 68.743 -1.153 RESID 127 (T): H 8.175 8.175 7.612 0.563 RESID 128 (F): N 121.900 121.900 121.975 -0.075 RESID 128 (F): C 178.000 178.000 177.524 0.476 RESID 128 (F): CA 61.590 61.590 60.715 0.875 RESID 128 (F): CB 38.810 38.810 38.931 -0.121 RESID 128 (F): H 8.882 8.882 8.595 0.287 RESID 129 (G): N 107.000 107.000 107.138 -0.138 RESID 129 (G): C 176.100 176.100 176.486 -0.386 RESID 129 (G): CA 46.690 46.690 47.211 -0.521 RESID 129 (G): H 8.900 8.900 9.169 -0.269 RESID 130 (N): N 123.000 123.000 118.455 4.545 RESID 130 (N): C 176.200 176.200 175.836 0.364 RESID 130 (N): CA 55.400 55.400 55.345 0.055 RESID 130 (N): CB 37.570 37.570 38.196 -0.625 RESID 130 (N): H 8.915 8.915 8.573 0.342 RESID 131 (E): N 119.000 119.000 116.720 2.280 RESID 131 (E): C 177.900 177.900 177.099 0.801 RESID 131 (E): CA 57.940 57.940 56.705 1.235 RESID 131 (E): CB 29.350 29.350 30.764 -1.414 RESID 131 (E): H 7.907 7.907 7.483 0.424 RESID 132 (H): N 112.600 112.600 118.642 -6.042 RESID 132 (H): C 175.900 175.900 175.552 0.348 RESID 132 (H): CA 56.910 56.910 58.788 -1.878 RESID 132 (H): CB 30.510 30.510 29.800 0.710 RESID 132 (H): H 7.877 7.877 7.882 -0.005 RESID 133 (W): N 119.300 119.300 117.445 1.855 RESID 133 (W): C 176.800 176.800 176.189 0.611 RESID 133 (W): CA 55.570 55.570 56.547 -0.977 RESID 133 (W): CB 30.400 30.400 29.742 0.658 RESID 133 (W): H 7.653 7.653 7.499 0.154 RESID 134 (A): N 125.400 125.400 124.640 0.760 RESID 134 (A): C 177.700 177.700 177.218 0.482 RESID 134 (A): CA 55.410 55.410 54.642 0.768 RESID 134 (A): CB 15.990 15.990 16.802 -0.812 RESID 134 (A): H 8.711 8.711 7.534 1.177 RESID 135 (P): C 177.200 177.200 177.379 -0.179 RESID 135 (P): CA 64.510 64.510 64.188 0.322 RESID 135 (P): CB 30.800 30.800 30.990 -0.190 RESID 136 (K): N 115.800 115.800 116.220 -0.420 RESID 136 (K): C 176.500 176.500 177.630 -1.130 RESID 136 (K): CA 53.530 53.530 55.931 -2.401 RESID 136 (K): CB 31.430 31.430 32.073 -0.643 RESID 136 (K): H 7.665 7.665 8.122 -0.457 RESID 137 (G): N 106.100 106.100 108.367 -2.267 RESID 137 (G): C 174.300 174.300 173.530 0.770 RESID 137 (G): CA 45.740 45.740 45.375 0.365 RESID 137 (G): H 7.864 7.864 7.667 0.197 RESID 138 (I): N 124.400 124.400 119.372 5.028 RESID 138 (I): C 174.400 174.400 174.786 -0.386 RESID 138 (I): CA 60.460 60.460 60.105 0.354 RESID 138 (I): CB 38.080 38.080 39.849 -1.768 RESID 138 (I): H 6.889 6.889 7.481 -0.592 RESID 139 (E): N 128.400 128.400 127.241 1.159 RESID 139 (E): C 173.900 173.900 175.099 -1.199 RESID 139 (E): CA 56.050 56.050 55.608 0.442 RESID 139 (E): CB 29.490 29.490 31.211 -1.721 RESID 139 (E): H 8.230 8.230 8.337 -0.107 RESID 140 (I): N 129.500 129.500 121.665 7.835 RESID 140 (I): C 176.100 176.100 174.763 1.337 RESID 140 (I): CA 57.100 57.100 59.023 -1.923 RESID 140 (I): CB 34.440 34.440 40.589 -6.149 RESID 140 (I): H 8.642 8.642 8.355 0.287 RESID 141 (V): N 133.000 133.000 125.238 7.762 RESID 141 (V): C 174.400 174.400 174.494 -0.094 RESID 141 (V): CA 61.060 61.060 61.153 -0.093 RESID 141 (V): CB 32.410 32.410 36.189 -3.779 RESID 141 (V): H 9.387 9.387 8.978 0.409 RESID 142 (S): N 122.900 122.900 120.114 2.786 RESID 142 (S): C 175.000 175.000 173.525 1.475 RESID 142 (S): CA 57.710 57.710 57.352 0.358 RESID 142 (S): CB 63.710 63.710 63.762 -0.052 RESID 142 (S): H 8.490 8.490 8.389 0.101 RESID 143 (Y): N 123.400 123.400 126.076 -2.676 RESID 143 (Y): C 175.900 175.900 176.378 -0.478 RESID 143 (Y): CA 57.300 57.300 57.703 -0.403 RESID 143 (Y): CB 42.300 42.300 41.328 0.972 RESID 143 (Y): H 8.979 8.979 9.268 -0.289 RESID 144 (Q): N 119.500 119.500 120.054 -0.554 RESID 144 (Q): C 176.000 176.000 174.902 1.098 RESID 144 (Q): CA 56.490 56.490 55.899 0.591 RESID 144 (Q): CB 28.470 28.470 29.852 -1.382 RESID 144 (Q): H 8.974 8.974 8.742 0.232 RESID 145 (G): N 106.800 106.800 107.337 -0.537 RESID 145 (G): C 173.500 173.500 174.159 -0.659 RESID 145 (G): CA 44.300 44.300 44.321 -0.021 RESID 145 (G): H 7.531 7.531 7.861 -0.330 RESID 146 (Q): N 124.300 124.300 122.876 1.424 RESID 146 (Q): C 177.200 177.200 177.348 -0.148 RESID 146 (Q): CA 57.800 57.800 58.805 -1.005 RESID 146 (Q): CB 28.190 28.190 28.634 -0.444 RESID 146 (Q): H 8.949 8.949 8.861 0.088 RESID 147 (D): N 117.900 117.900 118.414 -0.514 RESID 147 (D): C 178.900 178.900 178.475 0.425 RESID 147 (D): CA 56.650 56.650 56.850 -0.200 RESID 147 (D): CB 38.890 38.890 39.743 -0.853 RESID 147 (D): H 8.746 8.746 8.785 -0.039 RESID 148 (N): N 117.500 117.500 117.769 -0.269 RESID 148 (N): C 176.700 176.700 177.316 -0.616 RESID 148 (N): CA 55.160 55.160 55.610 -0.450 RESID 148 (N): CB 38.700 38.700 38.103 0.597 RESID 148 (N): H 7.496 7.496 8.560 -1.064 RESID 149 (I): N 120.000 120.000 119.888 0.112 RESID 149 (I): C 177.400 177.400 177.522 -0.122 RESID 149 (I): CA 64.450 64.450 65.050 -0.600 RESID 149 (I): CB 35.900 35.900 37.581 -1.681 RESID 149 (I): H 6.793 6.793 7.177 -0.384 RESID 150 (Y): N 117.400 117.400 118.218 -0.818 RESID 150 (Y): C 178.800 178.800 178.072 0.728 RESID 150 (Y): CA 59.730 59.730 61.662 -1.932 RESID 150 (Y): CB 35.970 35.970 37.648 -1.678 RESID 150 (Y): H 6.897 6.897 7.388 -0.491 RESID 151 (S): N 117.000 117.000 114.893 2.107 RESID 151 (S): C 177.000 177.000 177.016 -0.016 RESID 151 (S): CA 61.300 61.300 61.689 -0.389 RESID 151 (S): CB 62.100 62.100 62.223 -0.123 RESID 151 (S): H 8.186 8.186 8.235 -0.049 RESID 152 (D): N 122.300 122.300 123.230 -0.930 RESID 152 (D): C 179.000 179.000 178.346 0.654 RESID 152 (D): CA 56.580 56.580 56.869 -0.289 RESID 152 (D): CB 38.240 38.240 40.381 -2.141 RESID 152 (D): H 7.541 7.541 7.711 -0.170 RESID 153 (L): N 124.100 124.100 121.178 2.922 RESID 153 (L): C 180.300 180.300 178.542 1.758 RESID 153 (L): CA 58.160 58.160 57.556 0.604 RESID 153 (L): CB 41.630 41.630 41.821 -0.191 RESID 153 (L): H 8.372 8.372 7.874 0.498 RESID 154 (T): N 111.900 111.900 113.400 -1.500 RESID 154 (T): C 176.700 176.700 175.345 1.355 RESID 154 (T): CA 63.920 63.920 65.433 -1.512 RESID 154 (T): CB 68.700 68.700 69.013 -0.313 RESID 154 (T): H 8.389 8.389 8.308 0.081 RESID 155 (A): N 121.800 121.800 120.111 1.689 RESID 155 (A): C 178.200 178.200 178.041 0.159 RESID 155 (A): CA 51.640 51.640 52.315 -0.675 RESID 155 (A): CB 18.990 18.990 19.418 -0.428 RESID 155 (A): H 7.444 7.444 7.069 0.375 RESID 156 (G): N 107.800 107.800 107.085 0.715 RESID 156 (G): C 175.100 175.100 175.350 -0.250 RESID 156 (G): CA 45.420 45.420 45.164 0.256 RESID 156 (G): H 7.921 7.921 8.024 -0.103 RESID 157 (R): N 119.000 119.000 119.214 -0.214 RESID 157 (R): C 176.600 176.600 175.736 0.864 RESID 157 (R): CA 57.260 57.260 57.607 -0.347 RESID 157 (R): CB 30.400 30.400 30.775 -0.375 RESID 157 (R): H 8.443 8.443 8.129 0.314 RESID 158 (I): N 108.900 108.900 112.847 -3.947 RESID 158 (I): C 173.700 173.700 174.282 -0.582 RESID 158 (I): CA 59.900 59.900 59.210 0.690 RESID 158 (I): CB 40.070 40.070 41.078 -1.008 RESID 158 (I): H 7.109 7.109 7.122 -0.013 RESID 159 (D): N 119.100 119.100 123.797 -4.697 RESID 159 (D): C 174.700 174.700 175.654 -0.954 RESID 159 (D): CA 55.900 55.900 56.288 -0.388 RESID 159 (D): CB 43.630 43.630 41.701 1.929 RESID 159 (D): H 8.737 8.737 8.490 0.247 RESID 160 (A): N 116.400 116.400 116.438 -0.038 RESID 160 (A): C 174.900 174.900 174.316 0.584 RESID 160 (A): CA 50.190 50.190 51.494 -1.304 RESID 160 (A): CB 23.030 23.030 21.324 1.706 RESID 160 (A): H 7.702 7.702 7.167 0.535 RESID 161 (A): N 123.400 123.400 121.786 1.614 RESID 161 (A): C 175.500 175.500 175.691 -0.191 RESID 161 (A): CA 49.730 49.730 50.310 -0.580 RESID 161 (A): CB 21.110 21.110 21.591 -0.481 RESID 161 (A): H 8.915 8.915 7.993 0.922 RESID 162 (F): N 125.100 125.100 122.659 2.441 RESID 162 (F): C 172.900 172.900 175.017 -2.117 RESID 162 (F): CA 54.500 54.500 58.264 -3.764 RESID 162 (F): CB 39.400 39.400 38.777 0.623 RESID 162 (F): H 8.971 8.971 8.470 0.501 RESID 163 (Q): N 124.600 124.600 123.371 1.229 RESID 163 (Q): C 173.400 173.400 173.716 -0.316 RESID 163 (Q): CA 53.550 53.550 53.638 -0.088 RESID 163 (Q): CB 34.390 34.390 33.150 1.240 RESID 163 (Q): H 7.904 7.904 8.319 -0.415 RESID 164 (D): N 122.300 122.300 121.194 1.106 RESID 164 (D): C 175.800 175.800 177.267 -1.467 RESID 164 (D): CA 55.540 55.540 54.514 1.026 RESID 164 (D): CB 42.370 42.370 42.063 0.307 RESID 164 (D): H 8.304 8.304 8.455 -0.151 RESID 165 (E): N 128.600 128.600 122.868 5.732 RESID 165 (E): C 177.700 177.700 178.141 -0.441 RESID 165 (E): CA 60.230 60.230 60.151 0.079 RESID 165 (E): CB 30.020 30.020 29.850 0.170 RESID 165 (E): H 8.605 8.605 8.785 -0.180 RESID 166 (V): N 120.100 120.100 118.896 1.204 RESID 166 (V): C 178.300 178.300 177.322 0.978 RESID 166 (V): CA 66.800 66.800 66.732 0.068 RESID 166 (V): CB 30.070 30.070 30.323 -0.253 RESID 166 (V): H 8.748 8.748 8.238 0.510 RESID 167 (A): N 123.200 123.200 120.042 3.158 RESID 167 (A): C 182.500 182.500 179.100 3.400 RESID 167 (A): CA 54.980 54.980 54.730 0.250 RESID 167 (A): CB 17.910 17.910 18.057 -0.147 RESID 167 (A): H 8.655 8.655 7.966 0.689 RESID 168 (A): N 121.300 121.300 122.173 -0.873 RESID 168 (A): C 179.800 179.800 179.731 0.069 RESID 168 (A): CA 54.180 54.180 54.548 -0.368 RESID 168 (A): CB 18.750 18.750 18.445 0.305 RESID 168 (A): H 8.349 8.349 7.911 0.438 RESID 169 (S): N 113.400 113.400 114.429 -1.029 RESID 169 (S): C 175.700 175.700 176.170 -0.470 RESID 169 (S): CA 61.050 61.050 62.560 -1.510 RESID 169 (S): CB 63.050 63.050 62.651 0.399 RESID 169 (S): H 8.058 8.058 8.166 -0.108 RESID 170 (E): N 115.600 115.600 120.434 -4.834 RESID 170 (E): C 178.800 178.800 177.443 1.357 RESID 170 (E): CA 57.610 57.610 58.119 -0.509 RESID 170 (E): CB 29.790 29.790 29.047 0.743 RESID 170 (E): H 8.824 8.824 7.836 0.988 RESID 171 (G): N 103.400 103.400 104.973 -1.573 RESID 171 (G): C 173.700 173.700 175.041 -1.341 RESID 171 (G): CA 44.970 44.970 45.284 -0.314 RESID 171 (G): H 8.154 8.154 7.328 0.826 RESID 172 (F): N 120.100 120.100 122.526 -2.426 RESID 172 (F): C 175.200 175.200 177.714 -2.514 RESID 172 (F): CA 60.690 60.690 61.144 -0.454 RESID 172 (F): CB 40.740 40.740 39.087 1.653 RESID 172 (F): H 7.297 7.297 8.341 -1.044 RESID 173 (L): N 117.800 117.800 117.827 -0.027 RESID 173 (L): C 179.000 179.000 178.304 0.696 RESID 173 (L): CA 57.670 57.670 56.888 0.782 RESID 173 (L): CB 40.020 40.020 41.841 -1.821 RESID 173 (L): H 8.470 8.470 7.526 0.944 RESID 174 (K): N 114.600 114.600 116.398 -1.798 RESID 174 (K): C 176.900 176.900 176.428 0.472 RESID 174 (K): CA 56.450 56.450 57.297 -0.847 RESID 174 (K): CB 31.770 31.770 32.650 -0.880 RESID 174 (K): H 8.018 8.018 7.592 0.426 RESID 175 (Q): N 118.800 118.800 116.855 1.945 RESID 175 (Q): C 176.000 176.000 173.993 2.007 RESID 175 (Q): CA 52.510 52.510 52.301 0.208 RESID 175 (Q): CB 26.740 26.740 29.937 -3.197 RESID 175 (Q): H 7.151 7.151 7.280 -0.129 RESID 176 (P): C 179.300 179.300 177.720 1.580 RESID 176 (P): CA 66.100 66.100 65.383 0.717 RESID 176 (P): CB 30.720 30.720 31.721 -1.001 RESID 177 (V): N 112.300 112.300 117.239 -4.939 RESID 177 (V): C 175.900 175.900 177.767 -1.867 RESID 177 (V): CA 62.860 62.860 65.862 -3.002 RESID 177 (V): CB 30.660 30.660 30.990 -0.330 RESID 177 (V): H 7.480 7.480 7.756 -0.276 RESID 178 (G): N 109.700 109.700 105.414 4.286 RESID 178 (G): C 175.000 175.000 174.894 0.106 RESID 178 (G): CA 44.080 44.080 46.074 -1.994 RESID 178 (G): H 7.173 7.173 7.563 -0.390 RESID 179 (K): N 120.900 120.900 119.108 1.792 RESID 179 (K): C 177.100 177.100 177.677 -0.577 RESID 179 (K): CA 58.360 58.360 58.450 -0.090 RESID 179 (K): CB 31.260 31.260 32.296 -1.036 RESID 179 (K): H 6.972 6.972 7.255 -0.283 RESID 180 (D): N 117.200 117.200 117.177 0.023 RESID 180 (D): C 173.900 173.900 175.831 -1.931 RESID 180 (D): CA 53.920 53.920 55.861 -1.941 RESID 180 (D): CB 39.690 39.690 41.304 -1.614 RESID 180 (D): H 8.036 8.036 7.455 0.581 RESID 181 (Y): N 120.500 120.500 114.953 5.547 RESID 181 (Y): C 172.300 172.300 173.463 -1.163 RESID 181 (Y): CA 57.890 57.890 57.700 0.190 RESID 181 (Y): CB 41.860 41.860 42.313 -0.453 RESID 181 (Y): H 7.768 7.768 7.394 0.374 RESID 182 (K): N 116.900 116.900 118.663 -1.763 RESID 182 (K): C 174.900 174.900 174.277 0.623 RESID 182 (K): CA 54.330 54.330 56.444 -2.114 RESID 182 (K): CB 35.610 35.610 33.330 2.280 RESID 182 (K): H 9.497 9.497 8.832 0.665 RESID 183 (F): N 117.900 117.900 121.104 -3.204 RESID 183 (F): C 177.800 177.800 175.122 2.678 RESID 183 (F): CA 56.780 56.780 57.911 -1.131 RESID 183 (F): CB 38.320 38.320 42.989 -4.669 RESID 183 (F): H 8.470 8.470 8.127 0.343 RESID 184 (G): N 113.700 113.700 108.999 4.701 RESID 184 (G): C 173.300 173.300 174.864 -1.564 RESID 184 (G): CA 46.900 46.900 44.912 1.988 RESID 184 (G): H 9.107 9.107 8.821 0.286 RESID 185 (G): N 111.000 111.000 108.823 2.177 RESID 185 (G): C 171.100 171.100 172.857 -1.757 RESID 185 (G): CA 44.530 44.530 45.437 -0.907 RESID 185 (G): H 7.702 7.702 8.253 -0.551 RESID 186 (P): C 175.500 175.500 176.197 -0.697 RESID 186 (P): CA 61.920 61.920 64.456 -2.536 RESID 186 (P): CB 32.640 32.640 31.872 0.768 RESID 187 (S): N 113.500 113.500 120.060 -6.560 RESID 187 (S): C 173.500 173.500 173.815 -0.315 RESID 187 (S): CA 57.930 57.930 57.480 0.450 RESID 187 (S): CB 63.260 63.260 65.665 -2.405 RESID 187 (S): H 8.452 8.452 8.320 0.132 RESID 188 (V): N 123.300 123.300 121.760 1.540 RESID 188 (V): C 173.900 173.900 173.618 0.282 RESID 188 (V): CA 61.800 61.800 62.304 -0.504 RESID 188 (V): CB 32.680 32.680 34.689 -2.009 RESID 188 (V): H 9.080 9.080 7.840 1.240 RESID 189 (K): N 125.200 125.200 122.382 2.818 RESID 189 (K): C 176.700 176.700 174.075 2.625 RESID 189 (K): CA 54.680 54.680 56.180 -1.500 RESID 189 (K): CB 33.780 33.780 34.707 -0.927 RESID 189 (K): H 8.123 8.123 8.139 -0.016 RESID 190 (D): N 120.300 120.300 122.074 -1.774 RESID 190 (D): C 175.300 175.300 176.885 -1.585 RESID 190 (D): CA 55.610 55.610 53.438 2.172 RESID 190 (D): CB 42.620 42.620 40.410 2.210 RESID 190 (D): H 8.823 8.823 8.283 0.540 RESID 191 (E): N 129.100 129.100 126.607 2.493 RESID 191 (E): C 177.300 177.300 177.545 -0.245 RESID 191 (E): CA 59.310 59.310 58.454 0.856 RESID 191 (E): CB 28.420 28.420 29.518 -1.098 RESID 191 (E): H 9.239 9.239 8.842 0.397 RESID 192 (K): N 118.000 118.000 119.282 -1.282 RESID 192 (K): C 178.200 178.200 178.104 0.096 RESID 192 (K): CA 58.140 58.140 58.921 -0.781 RESID 192 (K): CB 31.690 31.690 32.149 -0.459 RESID 192 (K): H 7.918 7.918 8.758 -0.840 RESID 193 (L): N 118.200 118.200 118.087 0.113 RESID 193 (L): C 177.700 177.700 177.659 0.041 RESID 193 (L): CA 55.790 55.790 56.973 -1.183 RESID 193 (L): CB 42.330 42.330 42.061 0.269 RESID 193 (L): H 8.362 8.362 7.136 1.226 RESID 194 (F): N 116.800 116.800 113.485 3.315 RESID 194 (F): C 178.200 178.200 175.821 2.379 RESID 194 (F): CA 54.620 54.620 57.337 -2.717 RESID 194 (F): CB 37.390 37.390 39.748 -2.358 RESID 194 (F): H 8.036 8.036 7.304 0.732 RESID 195 (G): N 106.900 106.900 108.837 -1.937 RESID 195 (G): C 174.200 174.200 173.880 0.320 RESID 195 (G): CA 44.120 44.120 45.002 -0.882 RESID 195 (G): H 7.510 7.510 7.676 -0.166 RESID 196 (V): N 112.400 112.400 123.529 -11.129 RESID 196 (V): C 175.300 175.300 175.989 -0.689 RESID 196 (V): CA 60.720 60.720 64.232 -3.512 RESID 196 (V): CB 30.630 30.630 32.164 -1.534 RESID 196 (V): H 8.064 8.064 8.294 -0.230 RESID 197 (G): N 108.100 108.100 105.327 2.773 RESID 197 (G): C 172.300 172.300 172.009 0.291 RESID 197 (G): CA 43.210 43.210 45.241 -2.031 RESID 197 (G): H 7.788 7.788 7.235 0.553 RESID 198 (T): N 109.200 109.200 113.753 -4.553 RESID 198 (T): C 172.800 172.800 173.222 -0.422 RESID 198 (T): CA 59.090 59.090 59.359 -0.269 RESID 198 (T): CB 71.080 71.080 71.283 -0.203 RESID 198 (T): H 7.796 7.796 7.949 -0.153 RESID 199 (G): N 103.900 103.900 108.579 -4.679 RESID 199 (G): C 171.800 171.800 172.587 -0.787 RESID 199 (G): CA 43.840 43.840 45.338 -1.498 RESID 199 (G): H 7.928 7.928 7.839 0.089 RESID 200 (M): N 121.400 121.400 119.861 1.539 RESID 200 (M): C 176.200 176.200 175.982 0.218 RESID 200 (M): CA 55.260 55.260 55.247 0.013 RESID 200 (M): CB 33.390 33.390 34.991 -1.601 RESID 200 (M): H 7.971 7.971 8.491 -0.520 RESID 201 (G): N 112.200 112.200 110.729 1.471 RESID 201 (G): C 172.000 172.000 172.806 -0.806 RESID 201 (G): CA 44.540 44.540 44.431 0.109 RESID 201 (G): H 8.818 8.818 8.325 0.493 RESID 202 (L): N 124.700 124.700 124.802 -0.102 RESID 202 (L): C 176.000 176.000 175.876 0.124 RESID 202 (L): CA 53.740 53.740 52.830 0.910 RESID 202 (L): CB 46.010 46.010 46.109 -0.099 RESID 202 (L): H 8.767 8.767 8.601 0.166 RESID 203 (R): N 121.600 121.600 120.179 1.421 RESID 203 (R): C 180.400 180.400 177.903 2.497 RESID 203 (R): CA 57.130 57.130 55.472 1.658 RESID 203 (R): CB 29.650 29.650 31.321 -1.671 RESID 203 (R): H 10.270 10.270 8.249 2.021 RESID 204 (K): N 123.200 123.200 124.675 -1.475 RESID 204 (K): C 178.200 178.200 177.547 0.653 RESID 204 (K): CA 59.570 59.570 59.731 -0.161 RESID 204 (K): CB 31.840 31.840 32.069 -0.229 RESID 204 (K): H 9.231 9.231 8.662 0.569 RESID 205 (E): N 113.800 113.800 117.203 -3.403 RESID 205 (E): C 177.700 177.700 177.940 -0.240 RESID 205 (E): CA 57.230 57.230 58.285 -1.055 RESID 205 (E): CB 27.770 27.770 28.923 -1.153 RESID 205 (E): H 9.026 9.026 8.223 0.803 RESID 206 (D): N 126.000 126.000 120.536 5.464 RESID 206 (D): C 177.300 177.300 176.525 0.775 RESID 206 (D): CA 53.710 53.710 53.670 0.039 RESID 206 (D): CB 37.530 37.530 38.617 -1.087 RESID 206 (D): H 7.253 7.253 8.024 -0.771 RESID 207 (N): N 120.100 120.100 120.237 -0.137 RESID 207 (N): C 176.900 176.900 176.970 -0.070 RESID 207 (N): CA 56.950 56.950 56.397 0.553 RESID 207 (N): CB 38.820 38.820 39.026 -0.207 RESID 207 (N): H 7.839 7.839 8.708 -0.869 RESID 208 (E): N 120.500 120.500 119.035 1.465 RESID 208 (E): C 179.900 179.900 178.374 1.526 RESID 208 (E): CA 59.870 59.870 58.940 0.930 RESID 208 (E): CB 27.630 27.630 29.542 -1.912 RESID 208 (E): H 8.776 8.776 8.339 0.437 RESID 209 (L): N 122.900 122.900 120.436 2.464 RESID 209 (L): C 177.100 177.100 178.210 -1.110 RESID 209 (L): CA 57.400 57.400 57.508 -0.107 RESID 209 (L): CB 40.660 40.660 41.818 -1.158 RESID 209 (L): H 8.366 8.366 7.849 0.517 RESID 210 (R): N 119.100 119.100 118.787 0.313 RESID 210 (R): C 177.400 177.400 178.184 -0.784 RESID 210 (R): CA 59.970 59.970 59.767 0.203 RESID 210 (R): CB 30.110 30.110 30.022 0.088 RESID 210 (R): H 7.582 7.582 8.343 -0.761 RESID 211 (E): N 116.200 116.200 119.219 -3.019 RESID 211 (E): C 179.800 179.800 178.334 1.466 RESID 211 (E): CA 59.150 59.150 59.232 -0.082 RESID 211 (E): CB 28.600 28.600 29.572 -0.972 RESID 211 (E): H 8.407 8.407 7.839 0.568 RESID 212 (A): N 123.500 123.500 122.684 0.816 RESID 212 (A): C 181.300 181.300 179.643 1.657 RESID 212 (A): CA 54.810 54.810 54.714 0.096 RESID 212 (A): CB 17.170 17.170 18.139 -0.969 RESID 212 (A): H 8.128 8.128 7.576 0.552 RESID 213 (L): N 121.200 121.200 119.706 1.494 RESID 213 (L): C 178.400 178.400 179.645 -1.245 RESID 213 (L): CA 57.710 57.710 58.157 -0.447 RESID 213 (L): CB 41.450 41.450 41.136 0.314 RESID 213 (L): H 8.364 8.364 8.074 0.290 RESID 214 (N): N 119.200 119.200 116.389 2.811 RESID 214 (N): C 179.700 179.700 177.841 1.859 RESID 214 (N): CA 55.260 55.260 55.870 -0.610 RESID 214 (N): CB 37.120 37.120 37.935 -0.815 RESID 214 (N): H 8.435 8.435 8.388 0.047 RESID 215 (K): N 123.800 123.800 121.350 2.450 RESID 215 (K): C 178.400 178.400 178.519 -0.119 RESID 215 (K): CA 59.090 59.090 59.385 -0.295 RESID 215 (K): CB 31.740 31.740 32.485 -0.745 RESID 215 (K): H 8.080 8.080 8.429 -0.349 RESID 216 (A): N 122.200 122.200 121.736 0.464 RESID 216 (A): C 179.500 179.500 179.500 0.000 RESID 216 (A): CA 54.140 54.140 54.880 -0.740 RESID 216 (A): CB 18.700 18.700 18.276 0.424 RESID 216 (A): H 7.935 7.935 8.320 -0.385 RESID 217 (F): N 119.500 119.500 120.120 -0.620 RESID 217 (F): C 177.200 177.200 176.967 0.233 RESID 217 (F): CA 61.390 61.390 60.284 1.106 RESID 217 (F): CB 38.000 38.000 39.066 -1.066 RESID 217 (F): H 8.916 8.916 8.302 0.614 RESID 218 (A): N 121.300 121.300 121.202 0.098 RESID 218 (A): C 182.100 182.100 179.668 2.432 RESID 218 (A): CA 54.810 54.810 55.203 -0.393 RESID 218 (A): CB 16.650 16.650 17.990 -1.340 RESID 218 (A): H 7.956 7.956 8.142 -0.186 RESID 219 (E): N 120.000 120.000 119.047 0.953 RESID 219 (E): C 178.600 178.600 179.014 -0.414 RESID 219 (E): CA 59.040 59.040 59.316 -0.276 RESID 219 (E): CB 28.320 28.320 29.480 -1.160 RESID 219 (E): H 7.952 7.952 7.827 0.125 RESID 220 (M): N 120.900 120.900 118.222 2.678 RESID 220 (M): C 179.000 179.000 178.619 0.381 RESID 220 (M): CA 57.430 57.430 59.547 -2.117 RESID 220 (M): CB 32.620 32.620 32.437 0.183 RESID 220 (M): H 8.190 8.190 8.066 0.124 RESID 221 (R): N 119.200 119.200 118.383 0.817 RESID 221 (R): C 179.300 179.300 178.869 0.431 RESID 221 (R): CA 58.710 58.710 58.923 -0.213 RESID 221 (R): CB 27.480 27.480 29.866 -2.386 RESID 221 (R): H 7.762 7.762 7.520 0.242 RESID 222 (A): N 122.500 122.500 122.055 0.445 RESID 222 (A): C 179.300 179.300 178.913 0.387 RESID 222 (A): CA 54.180 54.180 54.613 -0.433 RESID 222 (A): CB 18.030 18.030 18.578 -0.548 RESID 222 (A): H 7.838 7.838 7.754 0.084 RESID 223 (D): N 115.100 115.100 114.598 0.502 RESID 223 (D): C 177.900 177.900 177.251 0.649 RESID 223 (D): CA 53.020 53.020 53.114 -0.094 RESID 223 (D): CB 39.570 39.570 40.420 -0.850 RESID 223 (D): H 8.091 8.091 7.973 0.118 RESID 224 (G): N 106.700 106.700 108.920 -2.220 RESID 224 (G): C 176.000 176.000 175.997 0.003 RESID 224 (G): CA 45.070 45.070 46.336 -1.266 RESID 224 (G): H 7.199 7.199 7.490 -0.291 RESID 225 (T): N 122.400 122.400 117.103 5.297 RESID 225 (T): C 175.700 175.700 175.348 0.352 RESID 225 (T): CA 67.610 67.610 67.846 -0.236 RESID 225 (T): CB 66.840 66.840 68.766 -1.926 RESID 225 (T): H 9.095 9.095 8.774 0.321 RESID 226 (Y): N 121.500 121.500 121.706 -0.206 RESID 226 (Y): C 176.000 176.000 176.919 -0.919 RESID 226 (Y): CA 62.530 62.530 62.294 0.236 RESID 226 (Y): CB 38.410 38.410 38.329 0.081 RESID 226 (Y): H 8.040 8.040 7.651 0.389 RESID 227 (E): N 118.200 118.200 118.723 -0.523 RESID 227 (E): C 178.200 178.200 178.701 -0.501 RESID 227 (E): CA 58.940 58.940 59.493 -0.553 RESID 227 (E): CB 28.810 28.810 29.129 -0.319 RESID 227 (E): H 8.153 8.153 8.597 -0.444 RESID 228 (K): N 119.100 119.100 120.377 -1.277 RESID 228 (K): C 179.500 179.500 179.066 0.434 RESID 228 (K): CA 59.260 59.260 59.492 -0.232 RESID 228 (K): CB 31.520 31.520 32.420 -0.900 RESID 228 (K): H 7.558 7.558 8.384 -0.826 RESID 229 (L): N 119.100 119.100 119.396 -0.296 RESID 229 (L): C 179.300 179.300 178.808 0.492 RESID 229 (L): CA 56.970 56.970 57.711 -0.740 RESID 229 (L): CB 41.520 41.520 41.878 -0.358 RESID 229 (L): H 8.055 8.055 8.080 -0.025 RESID 230 (A): N 121.200 121.200 122.112 -0.912 RESID 230 (A): C 180.500 180.500 179.233 1.267 RESID 230 (A): CA 54.890 54.890 55.529 -0.639 RESID 230 (A): CB 17.570 17.570 17.722 -0.152 RESID 230 (A): H 8.901 8.901 8.351 0.550 RESID 231 (K): N 117.200 117.200 117.934 -0.734 RESID 231 (K): C 177.700 177.700 178.134 -0.434 RESID 231 (K): CA 57.370 57.370 58.767 -1.397 RESID 231 (K): CB 31.330 31.330 32.355 -1.025 RESID 231 (K): H 8.062 8.062 8.070 -0.008 RESID 232 (K): N 117.600 117.600 116.733 0.867 RESID 232 (K): C 176.800 176.800 179.162 -2.362 RESID 232 (K): CA 57.890 57.890 58.619 -0.729 RESID 232 (K): CB 31.150 31.150 32.552 -1.402 RESID 232 (K): H 7.053 7.053 7.427 -0.374 RESID 233 (Y): N 114.000 114.000 117.033 -3.033 RESID 233 (Y): C 175.100 175.100 175.752 -0.652 RESID 233 (Y): CA 58.110 58.110 61.167 -3.057 RESID 233 (Y): CB 39.360 39.360 38.848 0.512 RESID 233 (Y): H 7.013 7.013 7.989 -0.976 RESID 234 (F): N 116.400 116.400 113.435 2.965 RESID 234 (F): C 175.800 175.800 173.434 2.366 RESID 234 (F): CA 54.920 54.920 56.710 -1.790 RESID 234 (F): CB 41.260 41.260 42.769 -1.509 RESID 234 (F): H 8.038 8.038 8.171 -0.133 RESID 235 (D): N 123.000 123.000 120.695 2.305 RESID 235 (D): C 174.500 174.500 175.103 -0.603 RESID 235 (D): CA 52.680 52.680 53.417 -0.737 RESID 235 (D): CB 39.860 39.860 39.728 0.132 RESID 235 (D): H 8.879 8.879 8.632 0.247 RESID 236 (F): N 115.500 115.500 122.078 -6.578 RESID 236 (F): C 173.600 173.600 173.587 0.013 RESID 236 (F): CA 53.950 53.950 56.285 -2.335 RESID 236 (F): CB 39.860 39.860 39.770 0.090 RESID 236 (F): H 6.793 6.793 7.468 -0.675 RESID 237 (D): N 119.700 119.700 122.043 -2.343 RESID 237 (D): C 175.800 175.800 177.072 -1.272 RESID 237 (D): CA 52.980 52.980 52.587 0.394 RESID 237 (D): CB 39.210 39.210 41.859 -2.649 RESID 237 (D): H 8.831 8.831 8.661 0.170 RESID 238 (V): N 129.900 129.900 122.550 7.350 RESID 238 (V): C 175.200 175.200 176.711 -1.511 RESID 238 (V): CA 61.840 61.840 65.083 -3.243 RESID 238 (V): CB 32.500 32.500 31.840 0.660 RESID 238 (V): H 7.376 7.376 8.393 -1.017 RESID 239 (Y): N 123.500 123.500 118.017 5.483 RESID 239 (Y): C 176.500 176.500 178.626 -2.126 RESID 239 (Y): CA 61.920 61.920 60.836 1.084 RESID 239 (Y): CB 38.010 38.010 37.867 0.143 RESID 239 (Y): H 8.314 8.314 8.425 -0.111 RESID 240 (G): N 104.100 104.100 104.497 -0.397 RESID 240 (G): C 174.600 174.600 174.828 -0.228 RESID 240 (G): CA 45.930 45.930 45.421 0.509 RESID 240 (G): H 7.428 7.428 7.952 -0.524 N HA C CA CB H RESID 6 (P): ----- ----- -0.715 -0.626 -0.727 ----- RESID 7 (Q): -0.380 ----- -0.406 -0.661 -0.640 -0.302 RESID 8 (N): 1.862 ----- -0.287 -0.670 -1.299 -0.335 RESID 9 (I): -2.382 ----- -0.173 -0.716 0.104 -0.728 RESID 10 (R): -1.290 ----- 0.746 -1.776 -0.242 0.452 RESID 11 (I): 3.258 ----- 0.327 0.109 -3.971 0.279 RESID 12 (G): 0.496 ----- -1.266 0.260 ----- 0.785 RESID 13 (T): -0.943 ----- 8.576 -0.643 -1.873 0.620 RESID 14 (D): -0.696 ----- 2.771 -0.545 -1.824 -0.497 RESID 15 (P): ----- ----- -1.032 -1.401 -4.506 ----- RESID 16 (T): 4.890 ----- 0.107 -2.580 -1.389 0.488 RESID 17 (Y): 3.953 ----- -0.466 -1.941 0.215 0.858 RESID 18 (A): 2.437 ----- -0.462 -4.565 -0.168 0.026 RESID 19 (P): ----- ----- -4.287 -2.351 0.202 ----- RESID 20 (F): 7.781 ----- 1.604 2.719 -3.071 -0.122 RESID 21 (E): -2.711 ----- -0.834 -0.841 -5.374 -0.789 RESID 22 (S): 4.043 ----- -0.781 -1.270 -1.221 0.431 RESID 23 (K): -1.855 ----- 2.604 -1.673 -1.813 0.006 RESID 24 (N): 1.601 ----- 1.053 -1.314 -1.870 0.066 RESID 25 (S): ----- ----- -0.037 0.033 -0.175 ----- RESID 26 (Q): -0.190 ----- -0.584 -0.413 -0.482 -0.354 RESID 27 (G): 1.246 ----- -0.274 0.076 ----- 0.361 RESID 28 (E): 1.628 ----- 0.257 -1.339 -0.967 -0.294 RESID 29 (L): 2.401 ----- 0.499 0.427 -1.804 0.007 RESID 30 (V): -4.475 ----- 1.715 -1.737 0.108 0.985 RESID 31 (G): -0.708 ----- 0.865 -1.392 ----- 1.110 RESID 32 (F): -2.923 ----- 1.910 -0.315 -0.313 0.055 RESID 33 (D): -2.443 ----- 0.998 -0.097 -1.775 1.474 RESID 34 (I): -0.906 ----- 0.068 -3.398 -4.290 -0.373 RESID 35 (D): 0.609 ----- 1.619 -0.309 0.115 0.754 RESID 36 (L): -0.433 ----- 0.515 -0.089 0.661 1.292 RESID 37 (A): -1.648 ----- -0.909 -0.163 -1.066 0.745 RESID 38 (K): -2.868 ----- 0.935 0.502 -0.493 0.665 RESID 39 (E): 2.177 ----- -1.091 -0.900 -1.524 -0.104 RESID 40 (L): 1.127 ----- -0.144 0.224 -1.499 0.622 RESID 41 (C): -2.845 ----- -1.678 -0.399 21.404 -0.166 RESID 42 (K): -0.289 ----- 1.622 -0.652 -0.925 -0.597 RESID 43 (R): 1.388 ----- 0.024 0.274 -0.218 0.496 RESID 44 (I): -5.720 ----- -0.816 -2.148 -1.537 -0.695 RESID 45 (N): 3.075 ----- -0.344 -0.952 0.714 -0.275 RESID 46 (T): 7.140 ----- 0.300 -0.305 -1.314 -0.027 RESID 47 (Q): 3.567 ----- 0.819 -0.513 -1.921 -0.272 RESID 48 (C): -0.407 ----- -0.661 -4.640 17.855 0.206 RESID 49 (T): -2.048 ----- 0.139 -1.027 -0.038 -0.512 RESID 50 (F): -2.220 ----- -0.128 -0.070 0.514 0.336 RESID 51 (V): 2.406 ----- -0.048 -0.035 -1.599 0.205 RESID 52 (E): -2.205 ----- 1.650 -2.799 -1.026 -0.157 RESID 53 (N): 6.256 ----- -1.809 -0.206 5.618 0.683 RESID 54 (P): ----- ----- -0.114 -0.702 -1.480 ----- RESID 55 (L): 0.077 ----- 0.884 -1.080 0.063 0.329 RESID 56 (D): -3.606 ----- -0.822 -0.773 -0.541 0.120 RESID 57 (A): 0.479 ----- 1.047 -2.171 -0.474 -0.263 RESID 58 (L): 1.131 ----- -0.956 0.864 -1.760 -0.277 RESID 59 (I): 0.100 ----- 1.257 1.631 -0.709 1.387 RESID 60 (P): ----- ----- 0.860 -0.591 -1.279 ----- RESID 61 (S): -0.100 ----- -1.215 0.454 ----- -0.335 RESID 62 (L): 3.186 ----- 1.936 -0.344 0.006 0.182 RESID 63 (K): 1.865 ----- -0.247 0.239 -1.694 0.734 RESID 64 (A): 0.173 ----- -0.459 -0.239 -0.305 -0.197 RESID 65 (K): -1.797 ----- -0.454 -0.169 -2.157 0.054 RESID 66 (K): 2.875 ----- -0.551 -1.261 -0.846 0.593 RESID 67 (I): -5.155 ----- -1.409 -0.017 -0.530 -0.226 RESID 68 (D): -3.451 ----- -3.748 0.275 1.689 1.256 RESID 69 (A): -0.955 ----- 1.088 -1.049 -0.208 -0.119 RESID 70 (I): -0.437 ----- -0.018 -0.560 0.265 1.269 RESID 71 (M): -1.007 ----- -1.224 -2.005 -0.264 0.207 RESID 72 (S): 2.516 ----- -1.927 1.100 -0.551 0.152 RESID 73 (S): 5.067 ----- 0.064 -1.051 0.129 -0.080 RESID 74 (L): -3.663 ----- -0.546 -1.347 -0.523 1.339 RESID 75 (S): 2.240 ----- 0.812 2.088 -1.601 0.280 RESID 76 (I): 9.374 ----- 0.890 1.789 -3.820 0.010 RESID 77 (T): 3.066 ----- -0.290 -2.193 -0.741 -1.011 RESID 78 (E): -0.438 ----- 1.611 -1.730 -0.630 0.012 RESID 79 (K): 0.050 ----- 1.537 -0.306 -0.690 0.049 RESID 80 (R): -0.317 ----- 0.140 0.362 0.281 0.270 RESID 81 (Q): -0.749 ----- -2.343 -1.482 0.302 0.123 RESID 82 (Q): -2.396 ----- -0.427 -1.075 -0.558 -0.652 RESID 83 (E): -2.096 ----- -0.913 -1.396 1.895 -0.299 RESID 84 (I): 3.253 ----- -1.321 0.459 -0.661 0.277 RESID 85 (A): 0.225 ----- -0.202 -1.083 0.767 0.229 RESID 86 (F): -3.382 ----- 2.931 -0.909 0.270 -0.324 RESID 87 (T): -6.583 ----- 0.883 0.911 2.598 -0.408 RESID 88 (D): -1.666 ----- -0.662 -0.772 1.086 0.016 RESID 89 (K): 1.946 ----- -0.815 -1.654 0.188 0.036 RESID 90 (L): -0.755 ----- 0.337 -2.687 -1.375 0.254 RESID 91 (Y): -0.790 ----- -0.711 -0.119 -2.708 -0.436 RESID 92 (A): 0.683 ----- -1.086 0.924 0.731 -0.941 RESID 93 (A): -0.761 ----- -0.926 0.415 -0.046 0.414 RESID 94 (D): 1.282 ----- -0.831 -1.239 -0.214 0.749 RESID 95 (S): -1.840 ----- -1.461 0.456 -0.085 -1.034 RESID 96 (R): 4.520 ----- -0.164 1.550 -0.280 0.392 RESID 97 (L): -1.019 ----- 1.673 0.337 -1.751 1.283 RESID 98 (V): 0.830 ----- 0.698 0.895 0.493 1.453 RESID 99 (V): -5.452 ----- 0.744 -0.282 1.244 0.984 RESID 100 (A): 0.855 ----- 0.744 2.039 -1.863 0.667 RESID 101 (K): -4.047 ----- -0.206 0.385 -0.480 -1.069 RESID 102 (N): -1.169 ----- 0.248 -2.308 -1.626 -0.231 RESID 103 (S): 0.136 ----- 2.731 0.686 0.383 0.068 RESID 104 (D): -0.805 ----- 1.711 -0.978 -0.597 0.001 RESID 105 (I): -1.200 ----- -0.717 3.198 -2.985 -0.334 RESID 106 (Q): -0.582 ----- 0.677 -0.657 2.019 -0.199 RESID 107 (P): ----- ----- -0.481 -1.788 -3.908 ----- RESID 108 (T): -3.097 ----- -0.390 -3.911 -1.064 0.796 RESID 109 (V): -1.781 ----- 0.368 0.826 -2.191 0.284 RESID 110 (E): -3.913 ----- -0.256 -0.883 -0.874 0.027 RESID 111 (S): -0.225 ----- 0.579 -1.617 1.203 -1.050 RESID 112 (L): -4.299 ----- 0.001 -0.797 0.086 0.350 RESID 113 (K): 1.780 ----- 0.698 0.618 -1.397 -0.305 RESID 114 (G): 0.966 ----- -0.596 -0.124 ----- 0.099 RESID 115 (K): -1.108 ----- -1.323 -1.034 -1.294 0.652 RESID 116 (R): -1.533 ----- 0.566 -1.028 0.515 1.008 RESID 117 (V): 2.870 ----- 0.359 -0.140 -1.951 0.601 RESID 118 (G): 0.343 ----- -0.228 1.380 ----- 1.290 RESID 119 (V): -5.982 ----- 0.071 -2.178 -0.624 -0.135 RESID 120 (L): 0.247 ----- 1.235 -0.279 -1.401 0.137 RESID 121 (Q): 0.811 ----- -0.342 -0.417 -1.611 0.305 RESID 122 (G): 0.064 ----- 1.541 -0.236 ----- 0.632 RESID 123 (T): -1.702 ----- 2.382 0.257 2.888 -0.517 RESID 124 (T): 1.365 ----- 1.575 -0.698 -0.968 0.275 RESID 125 (Q): -1.810 ----- 0.212 1.911 -2.737 -0.751 RESID 126 (E): 2.100 ----- -1.299 -0.213 -0.909 -0.097 RESID 127 (T): 1.597 ----- -0.163 -0.543 -1.153 0.563 RESID 128 (F): -0.075 ----- 0.476 0.875 -0.121 0.287 RESID 129 (G): -0.138 ----- -0.386 -0.521 ----- -0.269 RESID 130 (N): 4.545 ----- 0.364 0.055 -0.625 0.342 RESID 131 (E): 2.280 ----- 0.801 1.235 -1.414 0.424 RESID 132 (H): -6.042 ----- 0.348 -1.878 0.710 -0.005 RESID 133 (W): 1.855 ----- 0.611 -0.977 0.658 0.154 RESID 134 (A): 0.760 ----- 0.482 0.768 -0.812 1.177 RESID 135 (P): ----- ----- -0.179 0.322 -0.190 ----- RESID 136 (K): -0.420 ----- -1.130 -2.401 -0.643 -0.457 RESID 137 (G): -2.267 ----- 0.770 0.365 ----- 0.197 RESID 138 (I): 5.028 ----- -0.386 0.354 -1.768 -0.592 RESID 139 (E): 1.159 ----- -1.199 0.442 -1.721 -0.107 RESID 140 (I): 7.835 ----- 1.337 -1.923 -6.149 0.287 RESID 141 (V): 7.762 ----- -0.094 -0.093 -3.779 0.409 RESID 142 (S): 2.786 ----- 1.475 0.358 -0.052 0.101 RESID 143 (Y): -2.676 ----- -0.478 -0.403 0.972 -0.289 RESID 144 (Q): -0.554 ----- 1.098 0.591 -1.382 0.232 RESID 145 (G): -0.537 ----- -0.659 -0.021 ----- -0.330 RESID 146 (Q): 1.424 ----- -0.148 -1.005 -0.444 0.088 RESID 147 (D): -0.514 ----- 0.425 -0.200 -0.853 -0.039 RESID 148 (N): -0.269 ----- -0.616 -0.450 0.597 -1.064 RESID 149 (I): 0.112 ----- -0.122 -0.600 -1.681 -0.384 RESID 150 (Y): -0.818 ----- 0.728 -1.932 -1.678 -0.491 RESID 151 (S): 2.107 ----- -0.016 -0.389 -0.123 -0.049 RESID 152 (D): -0.930 ----- 0.654 -0.289 -2.141 -0.170 RESID 153 (L): 2.922 ----- 1.758 0.604 -0.191 0.498 RESID 154 (T): -1.500 ----- 1.355 -1.512 -0.313 0.081 RESID 155 (A): 1.689 ----- 0.159 -0.675 -0.428 0.375 RESID 156 (G): 0.715 ----- -0.250 0.256 ----- -0.103 RESID 157 (R): -0.214 ----- 0.864 -0.347 -0.375 0.314 RESID 158 (I): -3.947 ----- -0.582 0.690 -1.008 -0.013 RESID 159 (D): -4.697 ----- -0.954 -0.388 1.929 0.247 RESID 160 (A): -0.038 ----- 0.584 -1.304 1.706 0.535 RESID 161 (A): 1.614 ----- -0.191 -0.580 -0.481 0.922 RESID 162 (F): 2.441 ----- -2.117 -3.764 0.623 0.501 RESID 163 (Q): 1.229 ----- -0.316 -0.088 1.240 -0.415 RESID 164 (D): 1.106 ----- -1.467 1.026 0.307 -0.151 RESID 165 (E): 5.732 ----- -0.441 0.079 0.170 -0.180 RESID 166 (V): 1.204 ----- 0.978 0.068 -0.253 0.510 RESID 167 (A): 3.158 ----- 3.400 0.250 -0.147 0.689 RESID 168 (A): -0.873 ----- 0.069 -0.368 0.305 0.438 RESID 169 (S): -1.029 ----- -0.470 -1.510 0.399 -0.108 RESID 170 (E): -4.834 ----- 1.357 -0.509 0.743 0.988 RESID 171 (G): -1.573 ----- -1.341 -0.314 ----- 0.826 RESID 172 (F): -2.426 ----- -2.514 -0.454 1.653 -1.044 RESID 173 (L): -0.027 ----- 0.696 0.782 -1.821 0.944 RESID 174 (K): -1.798 ----- 0.472 -0.847 -0.880 0.426 RESID 175 (Q): 1.945 ----- 2.007 0.208 -3.197 -0.129 RESID 176 (P): ----- ----- 1.580 0.717 -1.001 ----- RESID 177 (V): -4.939 ----- -1.867 -3.002 -0.330 -0.276 RESID 178 (G): 4.286 ----- 0.106 -1.994 ----- -0.390 RESID 179 (K): 1.792 ----- -0.577 -0.090 -1.036 -0.283 RESID 180 (D): 0.023 ----- -1.931 -1.941 -1.614 0.581 RESID 181 (Y): 5.547 ----- -1.163 0.190 -0.453 0.374 RESID 182 (K): -1.763 ----- 0.623 -2.114 2.280 0.665 RESID 183 (F): -3.204 ----- 2.678 -1.131 -4.669 0.343 RESID 184 (G): 4.701 ----- -1.564 1.988 ----- 0.286 RESID 185 (G): 2.177 ----- -1.757 -0.907 ----- -0.551 RESID 186 (P): ----- ----- -0.697 -2.536 0.768 ----- RESID 187 (S): -6.560 ----- -0.315 0.450 -2.405 0.132 RESID 188 (V): 1.540 ----- 0.282 -0.504 -2.009 1.240 RESID 189 (K): 2.818 ----- 2.625 -1.500 -0.927 -0.016 RESID 190 (D): -1.774 ----- -1.585 2.172 2.210 0.540 RESID 191 (E): 2.493 ----- -0.245 0.856 -1.098 0.397 RESID 192 (K): -1.282 ----- 0.096 -0.781 -0.459 -0.840 RESID 193 (L): 0.113 ----- 0.041 -1.183 0.269 1.226 RESID 194 (F): 3.315 ----- 2.379 -2.717 -2.358 0.732 RESID 195 (G): -1.937 ----- 0.320 -0.882 ----- -0.166 RESID 196 (V): -11.129 ----- -0.689 -3.512 -1.534 -0.230 RESID 197 (G): 2.773 ----- 0.291 -2.031 ----- 0.553 RESID 198 (T): -4.553 ----- -0.422 -0.269 -0.203 -0.153 RESID 199 (G): -4.679 ----- -0.787 -1.498 ----- 0.089 RESID 200 (M): 1.539 ----- 0.218 0.013 -1.601 -0.520 RESID 201 (G): 1.471 ----- -0.806 0.109 ----- 0.493 RESID 202 (L): -0.102 ----- 0.124 0.910 -0.099 0.166 RESID 203 (R): 1.421 ----- 2.497 1.658 -1.671 2.021 RESID 204 (K): -1.475 ----- 0.653 -0.161 -0.229 0.569 RESID 205 (E): -3.403 ----- -0.240 -1.055 -1.153 0.803 RESID 206 (D): 5.464 ----- 0.775 0.039 -1.087 -0.771 RESID 207 (N): -0.137 ----- -0.070 0.553 -0.207 -0.869 RESID 208 (E): 1.465 ----- 1.526 0.930 -1.912 0.437 RESID 209 (L): 2.464 ----- -1.110 -0.107 -1.158 0.517 RESID 210 (R): 0.313 ----- -0.784 0.203 0.088 -0.761 RESID 211 (E): -3.019 ----- 1.466 -0.082 -0.972 0.568 RESID 212 (A): 0.816 ----- 1.657 0.096 -0.969 0.552 RESID 213 (L): 1.494 ----- -1.245 -0.447 0.314 0.290 RESID 214 (N): 2.811 ----- 1.859 -0.610 -0.815 0.047 RESID 215 (K): 2.450 ----- -0.119 -0.295 -0.745 -0.349 RESID 216 (A): 0.464 ----- 0.000 -0.740 0.424 -0.385 RESID 217 (F): -0.620 ----- 0.233 1.106 -1.066 0.614 RESID 218 (A): 0.098 ----- 2.432 -0.393 -1.340 -0.186 RESID 219 (E): 0.953 ----- -0.414 -0.276 -1.160 0.125 RESID 220 (M): 2.678 ----- 0.381 -2.117 0.183 0.124 RESID 221 (R): 0.817 ----- 0.431 -0.213 -2.386 0.242 RESID 222 (A): 0.445 ----- 0.387 -0.433 -0.548 0.084 RESID 223 (D): 0.502 ----- 0.649 -0.094 -0.850 0.118 RESID 224 (G): -2.220 ----- 0.003 -1.266 ----- -0.291 RESID 225 (T): 5.297 ----- 0.352 -0.236 -1.926 0.321 RESID 226 (Y): -0.206 ----- -0.919 0.236 0.081 0.389 RESID 227 (E): -0.523 ----- -0.501 -0.553 -0.319 -0.444 RESID 228 (K): -1.277 ----- 0.434 -0.232 -0.900 -0.826 RESID 229 (L): -0.296 ----- 0.492 -0.740 -0.358 -0.025 RESID 230 (A): -0.912 ----- 1.267 -0.639 -0.152 0.550 RESID 231 (K): -0.734 ----- -0.434 -1.397 -1.025 -0.008 RESID 232 (K): 0.867 ----- -2.362 -0.729 -1.402 -0.374 RESID 233 (Y): -3.033 ----- -0.652 -3.057 0.512 -0.976 RESID 234 (F): 2.965 ----- 2.366 -1.790 -1.509 -0.133 RESID 235 (D): 2.305 ----- -0.603 -0.737 0.132 0.247 RESID 236 (F): -6.578 ----- 0.013 -2.335 0.090 -0.675 RESID 237 (D): -2.343 ----- -1.272 0.394 -2.649 0.170 RESID 238 (V): 7.350 ----- -1.511 -3.243 0.660 -1.017 RESID 239 (Y): 5.483 ----- -2.126 1.084 0.143 -0.111 RESID 240 (G): -0.397 ----- -0.228 0.509 ----- -0.524 DATA CS_STAT_INFO N RMS: 2.939 ppm Count: 226 Average Difference: -0.154 +/- 2.942 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.290 ppm Count: 236 Average Difference: -0.106 +/- 1.288 ppm DATA CS_STAT_INFO CA RMS: 1.322 ppm Count: 236 Average Difference: 0.524 +/- 1.216 ppm DATA CS_STAT_INFO CB RMS: 2.457 ppm Count: 215 Average Difference: 0.511 +/- 2.409 ppm DATA CS_STAT_INFO HN RMS: 0.575 ppm Count: 226 Average Difference: -0.124 +/- 0.562 ppm ############################################################################ For conformer 19: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.304 -0.004 RESID 5 (I): C 174.300 174.300 174.345 -0.045 RESID 5 (I): CA 57.710 57.710 59.810 -2.100 RESID 5 (I): CB 37.260 37.260 37.776 -0.516 RESID 5 (I): H 7.868 7.868 8.227 -0.359 RESID 6 (P): C 176.100 176.100 176.823 -0.723 RESID 6 (P): CA 62.180 62.180 62.802 -0.622 RESID 6 (P): CB 31.620 31.620 32.347 -0.727 RESID 7 (Q): N 119.200 119.200 119.591 -0.391 RESID 7 (Q): C 175.600 175.600 176.033 -0.433 RESID 7 (Q): CA 57.190 57.190 57.832 -0.642 RESID 7 (Q): CB 28.500 28.500 29.132 -0.632 RESID 7 (Q): H 8.380 8.380 8.687 -0.307 RESID 8 (N): N 116.300 116.300 114.292 2.008 RESID 8 (N): C 173.600 173.600 173.862 -0.262 RESID 8 (N): CA 51.720 51.720 52.365 -0.645 RESID 8 (N): CB 40.540 40.540 41.955 -1.415 RESID 8 (N): H 7.472 7.472 7.807 -0.335 RESID 9 (I): N 121.000 121.000 122.693 -1.693 RESID 9 (I): C 174.700 174.700 174.918 -0.218 RESID 9 (I): CA 59.480 59.480 60.075 -0.595 RESID 9 (I): CB 39.740 39.740 40.279 -0.539 RESID 9 (I): H 8.416 8.416 9.150 -0.734 RESID 10 (R): N 126.500 126.500 127.104 -0.604 RESID 10 (R): C 175.800 175.800 175.479 0.321 RESID 10 (R): CA 53.950 53.950 55.369 -1.419 RESID 10 (R): CB 30.670 30.670 31.322 -0.652 RESID 10 (R): H 9.098 9.098 8.521 0.577 RESID 11 (I): N 127.500 127.500 124.915 2.585 RESID 11 (I): C 175.600 175.600 175.104 0.496 RESID 11 (I): CA 59.480 59.480 59.411 0.069 RESID 11 (I): CB 37.460 37.460 41.633 -4.173 RESID 11 (I): H 9.279 9.279 9.086 0.193 RESID 12 (G): N 114.800 114.800 114.198 0.602 RESID 12 (G): C 171.700 171.700 173.021 -1.321 RESID 12 (G): CA 44.540 44.540 44.298 0.242 RESID 12 (G): H 9.382 9.382 8.529 0.853 RESID 13 (T): N 120.600 120.600 121.657 -1.057 RESID 13 (T): C 181.600 181.600 173.082 8.518 RESID 13 (T): CA 61.470 61.470 62.069 -0.599 RESID 13 (T): CB 69.970 69.970 71.713 -1.744 RESID 13 (T): H 8.594 8.594 7.973 0.621 RESID 14 (D): N 127.000 127.000 127.853 -0.853 RESID 14 (D): C 177.500 177.500 174.764 2.736 RESID 14 (D): CA 49.760 49.760 50.312 -0.553 RESID 14 (D): CB 40.580 40.580 42.294 -1.714 RESID 14 (D): H 8.200 8.200 8.691 -0.491 RESID 15 (P): C 175.400 175.400 176.405 -1.005 RESID 15 (P): CA 61.920 61.920 63.361 -1.441 RESID 15 (P): CB 27.890 27.890 32.392 -4.502 RESID 16 (T): N 116.200 116.200 110.819 5.381 RESID 16 (T): C 174.000 174.000 173.297 0.703 RESID 16 (T): CA 59.560 59.560 62.051 -2.491 RESID 16 (T): CB 68.650 68.650 69.878 -1.228 RESID 16 (T): H 8.739 8.739 8.293 0.446 RESID 17 (Y): N 125.800 125.800 121.794 4.006 RESID 17 (Y): C 175.200 175.200 175.644 -0.444 RESID 17 (Y): CA 54.180 54.180 56.162 -1.982 RESID 17 (Y): CB 38.700 38.700 38.576 0.124 RESID 17 (Y): H 8.943 8.943 8.076 0.867 RESID 18 (A): N 132.100 132.100 129.666 2.434 RESID 18 (A): C 176.000 176.000 176.466 -0.466 RESID 18 (A): CA 51.490 51.490 56.050 -4.561 RESID 18 (A): CB 16.070 16.070 16.249 -0.179 RESID 18 (A): H 8.945 8.945 8.920 0.025 RESID 19 (P): C 173.500 173.500 177.820 -4.320 RESID 19 (P): CA 62.890 62.890 65.236 -2.346 RESID 19 (P): CB 31.790 31.790 31.601 0.189 RESID 20 (F): N 125.100 125.100 117.281 7.819 RESID 20 (F): C 176.700 176.700 175.479 1.221 RESID 20 (F): CA 62.420 62.420 59.495 2.925 RESID 20 (F): CB 37.980 37.980 41.061 -3.081 RESID 20 (F): H 8.117 8.117 8.289 -0.172 RESID 21 (E): N 111.800 111.800 114.512 -2.712 RESID 21 (E): C 173.600 173.600 174.361 -0.761 RESID 21 (E): CA 54.400 54.400 55.516 -1.116 RESID 21 (E): CB 28.770 28.770 33.992 -5.222 RESID 21 (E): H 7.701 7.701 8.490 -0.789 RESID 22 (S): N 117.200 117.200 113.078 4.122 RESID 22 (S): C 171.500 171.500 172.280 -0.780 RESID 22 (S): CA 57.290 57.290 58.585 -1.295 RESID 22 (S): CB 62.940 62.940 64.120 -1.180 RESID 22 (S): H 8.750 8.750 8.301 0.449 RESID 23 (K): N 117.400 117.400 119.433 -2.033 RESID 23 (K): C 177.600 177.600 175.068 2.532 RESID 23 (K): CA 53.700 53.700 55.336 -1.636 RESID 23 (K): CB 33.330 33.330 35.175 -1.845 RESID 23 (K): H 8.238 8.238 8.242 -0.004 RESID 24 (N): N 122.400 122.400 120.947 1.453 RESID 24 (N): C 178.000 178.000 177.041 0.959 RESID 24 (N): CA 50.600 50.600 51.855 -1.255 RESID 24 (N): CB 38.140 38.140 40.121 -1.981 RESID 24 (N): H 8.584 8.584 8.590 -0.006 RESID 25 (S): C 175.400 175.400 175.417 -0.017 RESID 25 (S): CA 60.970 60.970 60.936 0.034 RESID 25 (S): CB 62.410 62.410 62.523 -0.113 RESID 26 (Q): N 119.300 119.300 119.475 -0.175 RESID 26 (Q): C 176.200 176.200 176.793 -0.593 RESID 26 (Q): CA 55.180 55.180 55.663 -0.482 RESID 26 (Q): CB 28.260 28.260 28.697 -0.437 RESID 26 (Q): H 7.520 7.520 8.390 -0.870 RESID 27 (G): N 108.800 108.800 107.654 1.146 RESID 27 (G): C 173.700 173.700 174.069 -0.369 RESID 27 (G): CA 45.050 45.050 45.085 -0.035 RESID 27 (G): H 8.169 8.169 7.849 0.320 RESID 28 (E): N 121.200 121.200 120.667 0.533 RESID 28 (E): C 175.800 175.800 175.665 0.135 RESID 28 (E): CA 54.490 54.490 55.936 -1.446 RESID 28 (E): CB 29.750 29.750 30.603 -0.853 RESID 28 (E): H 7.836 7.836 8.056 -0.220 RESID 29 (L): N 123.500 123.500 121.160 2.340 RESID 29 (L): C 176.400 176.400 175.339 1.061 RESID 29 (L): CA 54.310 54.310 53.811 0.499 RESID 29 (L): CB 41.180 41.180 42.871 -1.691 RESID 29 (L): H 8.281 8.281 8.249 0.032 RESID 30 (V): N 118.200 118.200 122.395 -4.195 RESID 30 (V): C 175.300 175.300 173.443 1.857 RESID 30 (V): CA 58.360 58.360 60.001 -1.641 RESID 30 (V): CB 36.080 36.080 35.903 0.177 RESID 30 (V): H 8.900 8.900 7.606 1.294 RESID 31 (G): N 109.800 109.800 109.973 -0.173 RESID 31 (G): C 174.400 174.400 173.473 0.927 RESID 31 (G): CA 43.830 43.830 45.154 -1.324 RESID 31 (G): H 8.611 8.611 7.524 1.087 RESID 32 (F): N 119.900 119.900 122.538 -2.638 RESID 32 (F): C 177.900 177.900 175.872 2.028 RESID 32 (F): CA 59.800 59.800 60.736 -0.936 RESID 32 (F): CB 38.950 38.950 39.278 -0.328 RESID 32 (F): H 8.295 8.295 8.112 0.183 RESID 33 (D): N 116.500 116.500 119.107 -2.607 RESID 33 (D): C 179.100 179.100 178.056 1.044 RESID 33 (D): CA 56.180 56.180 56.602 -0.422 RESID 33 (D): CB 38.610 38.610 40.280 -1.670 RESID 33 (D): H 8.935 8.935 7.356 1.579 RESID 34 (I): N 118.800 118.800 119.735 -0.935 RESID 34 (I): C 178.000 178.000 177.754 0.246 RESID 34 (I): CA 60.950 60.950 64.740 -3.790 RESID 34 (I): CB 33.620 33.620 37.847 -4.227 RESID 34 (I): H 6.535 6.535 7.729 -1.194 RESID 35 (D): N 121.000 121.000 120.371 0.629 RESID 35 (D): C 180.300 180.300 178.681 1.619 RESID 35 (D): CA 57.100 57.100 57.416 -0.316 RESID 35 (D): CB 40.420 40.420 40.293 0.127 RESID 35 (D): H 8.536 8.536 7.830 0.706 RESID 36 (L): N 120.500 120.500 120.860 -0.360 RESID 36 (L): C 178.500 178.500 177.989 0.511 RESID 36 (L): CA 57.720 57.720 57.783 -0.063 RESID 36 (L): CB 42.230 42.230 41.587 0.643 RESID 36 (L): H 8.508 8.508 7.231 1.277 RESID 37 (A): N 120.200 120.200 121.618 -1.418 RESID 37 (A): C 178.600 178.600 179.585 -0.985 RESID 37 (A): CA 55.170 55.170 55.226 -0.056 RESID 37 (A): CB 17.340 17.340 18.461 -1.121 RESID 37 (A): H 8.383 8.383 7.668 0.715 RESID 38 (K): N 116.400 116.400 119.380 -2.980 RESID 38 (K): C 180.100 180.100 179.118 0.982 RESID 38 (K): CA 60.530 60.530 60.023 0.507 RESID 38 (K): CB 31.840 31.840 32.389 -0.549 RESID 38 (K): H 8.780 8.780 8.172 0.608 RESID 39 (E): N 121.500 121.500 119.463 2.037 RESID 39 (E): C 178.300 178.300 179.370 -1.070 RESID 39 (E): CA 58.430 58.430 59.319 -0.889 RESID 39 (E): CB 27.990 27.990 29.496 -1.506 RESID 39 (E): H 7.692 7.692 7.776 -0.084 RESID 40 (L): N 121.500 121.500 120.386 1.114 RESID 40 (L): C 178.700 178.700 178.795 -0.095 RESID 40 (L): CA 58.490 58.490 58.261 0.229 RESID 40 (L): CB 40.250 40.250 41.771 -1.521 RESID 40 (L): H 8.563 8.563 7.830 0.733 RESID 41 (C): N 115.700 115.700 118.439 -2.739 RESID 41 (C): C 175.800 175.800 177.458 -1.658 RESID 41 (C): CA 62.390 62.390 62.757 -0.367 RESID 41 (C): CB 46.860 46.860 25.463 21.397 RESID 41 (C): H 8.598 8.598 8.564 0.034 RESID 42 (K): N 119.300 119.300 119.629 -0.329 RESID 42 (K): C 180.800 180.800 179.131 1.669 RESID 42 (K): CA 58.810 58.810 59.449 -0.639 RESID 42 (K): CB 31.430 31.430 32.355 -0.925 RESID 42 (K): H 7.490 7.490 8.025 -0.535 RESID 43 (R): N 119.500 119.500 117.973 1.527 RESID 43 (R): C 178.700 178.700 178.669 0.031 RESID 43 (R): CA 58.760 58.760 58.465 0.295 RESID 43 (R): CB 29.980 29.980 30.210 -0.230 RESID 43 (R): H 8.057 8.057 7.627 0.430 RESID 44 (I): N 111.800 111.800 117.523 -5.723 RESID 44 (I): C 175.000 175.000 175.822 -0.822 RESID 44 (I): CA 60.940 60.940 63.052 -2.112 RESID 44 (I): CB 36.630 36.630 38.195 -1.565 RESID 44 (I): H 7.765 7.765 8.411 -0.646 RESID 45 (N): N 118.800 118.800 115.748 3.052 RESID 45 (N): C 173.600 173.600 173.944 -0.344 RESID 45 (N): CA 53.670 53.670 54.625 -0.955 RESID 45 (N): CB 36.620 36.620 35.912 0.708 RESID 45 (N): H 7.752 7.752 8.044 -0.292 RESID 46 (T): N 112.800 112.800 105.760 7.040 RESID 46 (T): C 173.100 173.100 172.832 0.268 RESID 46 (T): CA 60.020 60.020 60.276 -0.256 RESID 46 (T): CB 70.500 70.500 71.870 -1.370 RESID 46 (T): H 7.920 7.920 7.925 -0.005 RESID 47 (Q): N 123.500 123.500 120.009 3.491 RESID 47 (Q): C 175.400 175.400 174.570 0.830 RESID 47 (Q): CA 54.550 54.550 55.099 -0.549 RESID 47 (Q): CB 28.670 28.670 30.486 -1.816 RESID 47 (Q): H 8.037 8.037 8.360 -0.323 RESID 48 (C): N 123.800 123.800 124.383 -0.583 RESID 48 (C): C 173.800 173.800 174.395 -0.595 RESID 48 (C): CA 53.170 53.170 57.892 -4.722 RESID 48 (C): CB 47.290 47.290 29.416 17.873 RESID 48 (C): H 8.881 8.881 8.683 0.198 RESID 49 (T): N 118.600 118.600 120.466 -1.866 RESID 49 (T): C 172.700 172.700 172.556 0.144 RESID 49 (T): CA 60.210 60.210 61.258 -1.048 RESID 49 (T): CB 70.980 70.980 71.088 -0.108 RESID 49 (T): H 8.324 8.324 8.811 -0.487 RESID 50 (F): N 123.800 123.800 125.929 -2.129 RESID 50 (F): C 175.800 175.800 175.948 -0.148 RESID 50 (F): CA 57.370 57.370 57.381 -0.011 RESID 50 (F): CB 40.730 40.730 40.274 0.456 RESID 50 (F): H 8.982 8.982 8.631 0.351 RESID 51 (V): N 126.300 126.300 123.746 2.554 RESID 51 (V): C 174.700 174.700 174.730 -0.030 RESID 51 (V): CA 60.650 60.650 60.682 -0.032 RESID 51 (V): CB 33.700 33.700 35.378 -1.678 RESID 51 (V): H 9.271 9.271 9.069 0.202 RESID 52 (E): N 126.900 126.900 128.975 -2.075 RESID 52 (E): C 176.900 176.900 175.238 1.662 RESID 52 (E): CA 54.480 54.480 57.274 -2.794 RESID 52 (E): CB 29.350 29.350 30.399 -1.049 RESID 52 (E): H 8.617 8.617 8.774 -0.157 RESID 53 (N): N 127.100 127.100 120.664 6.436 RESID 53 (N): C 170.600 170.600 172.410 -1.810 RESID 53 (N): CA 51.220 51.220 51.472 -0.252 RESID 53 (N): CB 43.980 43.980 38.338 5.642 RESID 53 (N): H 8.917 8.917 8.233 0.684 RESID 54 (P): C 178.600 178.600 178.782 -0.182 RESID 54 (P): CA 61.650 61.650 62.336 -0.686 RESID 54 (P): CB 31.460 31.460 32.906 -1.446 RESID 55 (L): N 124.200 124.200 124.182 0.018 RESID 55 (L): C 179.600 179.600 178.717 0.883 RESID 55 (L): CA 58.130 58.130 59.245 -1.115 RESID 55 (L): CB 41.470 41.470 41.377 0.093 RESID 55 (L): H 9.096 9.096 8.795 0.301 RESID 56 (D): N 115.400 115.400 119.002 -3.602 RESID 56 (D): C 176.500 176.500 177.323 -0.823 RESID 56 (D): CA 56.080 56.080 56.864 -0.784 RESID 56 (D): CB 39.640 39.640 40.180 -0.540 RESID 56 (D): H 8.651 8.651 8.535 0.116 RESID 57 (A): N 120.400 120.400 119.890 0.510 RESID 57 (A): C 180.000 180.000 178.966 1.034 RESID 57 (A): CA 51.440 51.440 53.604 -2.164 RESID 57 (A): CB 19.170 19.170 19.651 -0.481 RESID 57 (A): H 8.079 8.079 8.322 -0.243 RESID 58 (L): N 122.300 122.300 121.199 1.101 RESID 58 (L): C 177.800 177.800 178.764 -0.964 RESID 58 (L): CA 58.960 58.960 58.117 0.843 RESID 58 (L): CB 40.150 40.150 41.915 -1.765 RESID 58 (L): H 7.783 7.783 8.137 -0.354 RESID 59 (I): N 119.600 119.600 119.498 0.102 RESID 59 (I): C 176.400 176.400 175.142 1.258 RESID 59 (I): CA 68.170 68.170 66.529 1.641 RESID 59 (I): CB 33.980 33.980 34.688 -0.708 RESID 59 (I): H 9.094 9.094 7.717 1.377 RESID 60 (P): C 180.100 180.100 179.224 0.876 RESID 60 (P): CA 65.890 65.890 66.525 -0.635 RESID 60 (P): CB 29.980 29.980 31.261 -1.281 RESID 61 (S): N 114.800 114.800 114.887 -0.087 RESID 61 (S): C 175.500 175.500 176.687 -1.187 RESID 61 (S): CA 62.170 62.170 61.874 0.296 RESID 61 (S): H 7.865 7.865 8.203 -0.338 RESID 62 (L): N 126.200 126.200 123.061 3.139 RESID 62 (L): C 181.000 181.000 178.980 2.020 RESID 62 (L): CA 57.400 57.400 57.708 -0.308 RESID 62 (L): CB 41.820 41.820 41.771 0.049 RESID 62 (L): H 8.296 8.296 8.139 0.157 RESID 63 (K): N 121.000 121.000 119.066 1.934 RESID 63 (K): C 178.000 178.000 177.909 0.091 RESID 63 (K): CA 59.500 59.500 59.169 0.331 RESID 63 (K): CB 30.770 30.770 32.476 -1.706 RESID 63 (K): H 8.461 8.461 7.767 0.694 RESID 64 (A): N 118.700 118.700 118.685 0.015 RESID 64 (A): C 176.200 176.200 176.675 -0.475 RESID 64 (A): CA 51.680 51.680 51.994 -0.314 RESID 64 (A): CB 18.140 18.140 18.590 -0.450 RESID 64 (A): H 7.686 7.686 7.978 -0.292 RESID 65 (K): N 112.200 112.200 113.995 -1.795 RESID 65 (K): C 176.000 176.000 176.471 -0.471 RESID 65 (K): CA 57.800 57.800 57.984 -0.184 RESID 65 (K): CB 27.730 27.730 29.905 -2.175 RESID 65 (K): H 7.751 7.751 7.683 0.068 RESID 66 (K): N 118.300 118.300 115.415 2.885 RESID 66 (K): C 176.600 176.600 177.124 -0.524 RESID 66 (K): CA 57.200 57.200 58.451 -1.251 RESID 66 (K): CB 32.170 32.170 33.012 -0.842 RESID 66 (K): H 8.415 8.415 7.786 0.629 RESID 67 (I): N 107.500 107.500 112.500 -5.000 RESID 67 (I): C 174.000 174.000 175.395 -1.395 RESID 67 (I): CA 59.050 59.050 59.042 0.008 RESID 67 (I): CB 40.470 40.470 41.043 -0.573 RESID 67 (I): H 7.034 7.034 7.245 -0.211 RESID 68 (D): N 119.000 119.000 121.962 -2.962 RESID 68 (D): C 172.200 172.200 175.767 -3.567 RESID 68 (D): CA 55.560 55.560 55.375 0.185 RESID 68 (D): CB 44.210 44.210 42.594 1.616 RESID 68 (D): H 9.739 9.739 8.583 1.156 RESID 69 (A): N 117.400 117.400 118.093 -0.693 RESID 69 (A): C 175.900 175.900 174.846 1.054 RESID 69 (A): CA 50.120 50.120 51.176 -1.056 RESID 69 (A): CB 21.960 21.960 22.119 -0.159 RESID 69 (A): H 7.660 7.660 7.641 0.019 RESID 70 (I): N 120.500 120.500 120.734 -0.234 RESID 70 (I): C 174.500 174.500 174.414 0.086 RESID 70 (I): CA 60.060 60.060 60.657 -0.597 RESID 70 (I): CB 41.190 41.190 41.014 0.175 RESID 70 (I): H 9.402 9.402 8.046 1.356 RESID 71 (M): N 128.300 128.300 129.446 -1.146 RESID 71 (M): C 172.500 172.500 173.893 -1.393 RESID 71 (M): CA 53.040 53.040 54.934 -1.894 RESID 71 (M): CB 33.940 33.940 34.643 -0.703 RESID 71 (M): H 8.431 8.431 8.267 0.164 RESID 72 (S): N 122.700 122.700 120.811 1.889 RESID 72 (S): C 172.800 172.800 173.779 -0.979 RESID 72 (S): CA 57.630 57.630 56.595 1.035 RESID 72 (S): CB 64.590 64.590 65.199 -0.609 RESID 72 (S): H 8.717 8.717 8.597 0.120 RESID 73 (S): N 120.600 120.600 116.258 4.342 RESID 73 (S): C 174.900 174.900 174.988 -0.088 RESID 73 (S): CA 58.590 58.590 59.772 -1.182 RESID 73 (S): CB 62.920 62.920 62.801 0.119 RESID 73 (S): H 8.570 8.570 8.598 -0.028 RESID 74 (L): N 120.700 120.700 123.924 -3.224 RESID 74 (L): C 175.300 175.300 175.883 -0.583 RESID 74 (L): CA 54.320 54.320 55.445 -1.125 RESID 74 (L): CB 42.350 42.350 42.636 -0.286 RESID 74 (L): H 8.678 8.678 7.684 0.994 RESID 75 (S): N 122.000 122.000 119.964 2.036 RESID 75 (S): C 174.500 174.500 173.633 0.867 RESID 75 (S): CA 59.250 59.250 57.008 2.242 RESID 75 (S): CB 63.060 63.060 64.834 -1.774 RESID 75 (S): H 8.142 8.142 7.907 0.235 RESID 76 (I): N 125.200 125.200 115.810 9.390 RESID 76 (I): C 175.500 175.500 174.438 1.062 RESID 76 (I): CA 61.340 61.340 59.692 1.648 RESID 76 (I): CB 35.790 35.790 39.638 -3.848 RESID 76 (I): H 8.307 8.307 8.217 0.090 RESID 77 (T): N 116.600 116.600 113.457 3.143 RESID 77 (T): C 174.800 174.800 175.066 -0.266 RESID 77 (T): CA 57.760 57.760 59.992 -2.232 RESID 77 (T): CB 71.570 71.570 72.298 -0.728 RESID 77 (T): H 6.513 6.513 7.525 -1.012 RESID 78 (E): N 124.500 124.500 124.950 -0.450 RESID 78 (E): C 179.500 179.500 177.883 1.617 RESID 78 (E): CA 59.140 59.140 60.861 -1.721 RESID 78 (E): CB 28.630 28.630 29.271 -0.641 RESID 78 (E): H 8.935 8.935 8.908 0.027 RESID 79 (K): N 118.400 118.400 118.283 0.117 RESID 79 (K): C 180.600 180.600 179.031 1.569 RESID 79 (K): CA 58.890 58.890 59.181 -0.291 RESID 79 (K): CB 31.610 31.610 32.300 -0.690 RESID 79 (K): H 8.415 8.415 8.369 0.046 RESID 80 (R): N 118.500 118.500 118.829 -0.329 RESID 80 (R): C 179.100 179.100 178.948 0.152 RESID 80 (R): CA 59.580 59.580 59.202 0.378 RESID 80 (R): CB 30.380 30.380 30.066 0.314 RESID 80 (R): H 7.678 7.678 7.397 0.281 RESID 81 (Q): N 119.000 119.000 119.619 -0.619 RESID 81 (Q): C 176.600 176.600 178.875 -2.275 RESID 81 (Q): CA 57.510 57.510 58.919 -1.409 RESID 81 (Q): CB 28.880 28.880 28.569 0.311 RESID 81 (Q): H 8.418 8.418 8.276 0.142 RESID 82 (Q): N 115.300 115.300 117.715 -2.415 RESID 82 (Q): C 177.400 177.400 177.835 -0.435 RESID 82 (Q): CA 57.280 57.280 58.353 -1.073 RESID 82 (Q): CB 27.950 27.950 28.516 -0.566 RESID 82 (Q): H 7.297 7.297 7.933 -0.636 RESID 83 (E): N 115.600 115.600 117.744 -2.144 RESID 83 (E): C 176.400 176.400 177.303 -0.903 RESID 83 (E): CA 56.950 56.950 58.379 -1.429 RESID 83 (E): CB 33.090 33.090 31.191 1.899 RESID 83 (E): H 7.627 7.627 7.921 -0.294 RESID 84 (I): N 115.100 115.100 111.869 3.231 RESID 84 (I): C 172.600 172.600 173.940 -1.340 RESID 84 (I): CA 59.380 59.380 58.892 0.488 RESID 84 (I): CB 40.830 40.830 41.522 -0.692 RESID 84 (I): H 8.275 8.275 7.980 0.295 RESID 85 (A): N 120.600 120.600 120.382 0.218 RESID 85 (A): C 175.000 175.000 175.269 -0.269 RESID 85 (A): CA 49.150 49.150 50.277 -1.127 RESID 85 (A): CB 22.280 22.280 21.412 0.869 RESID 85 (A): H 8.679 8.679 8.402 0.277 RESID 86 (F): N 115.500 115.500 119.117 -3.617 RESID 86 (F): C 178.800 178.800 175.815 2.985 RESID 86 (F): CA 55.850 55.850 56.916 -1.066 RESID 86 (F): CB 44.300 44.300 44.040 0.260 RESID 86 (F): H 8.283 8.283 8.616 -0.333 RESID 87 (T): N 108.200 108.200 114.974 -6.774 RESID 87 (T): C 174.700 174.700 173.795 0.905 RESID 87 (T): CA 61.930 61.930 61.153 0.777 RESID 87 (T): CB 72.740 72.740 70.080 2.660 RESID 87 (T): H 7.898 7.898 8.389 -0.491 RESID 88 (D): N 118.400 118.400 120.406 -2.006 RESID 88 (D): C 174.300 174.300 175.624 -1.324 RESID 88 (D): CA 55.030 55.030 55.778 -0.748 RESID 88 (D): CB 40.870 40.870 39.815 1.055 RESID 88 (D): H 8.789 8.789 8.802 -0.013 RESID 89 (K): N 118.100 118.100 116.619 1.481 RESID 89 (K): C 176.200 176.200 176.704 -0.504 RESID 89 (K): CA 55.570 55.570 57.271 -1.701 RESID 89 (K): CB 31.850 31.850 31.511 0.339 RESID 89 (K): H 7.666 7.666 7.686 -0.020 RESID 90 (L): N 123.400 123.400 126.371 -2.971 RESID 90 (L): C 178.000 178.000 177.730 0.270 RESID 90 (L): CA 54.450 54.450 57.317 -2.867 RESID 90 (L): CB 41.710 41.710 43.311 -1.601 RESID 90 (L): H 8.778 8.778 8.772 0.006 RESID 91 (Y): N 110.500 110.500 109.965 0.535 RESID 91 (Y): C 172.600 172.600 173.673 -1.073 RESID 91 (Y): CA 56.070 56.070 55.537 0.533 RESID 91 (Y): CB 37.670 37.670 40.565 -2.895 RESID 91 (Y): H 6.810 6.810 7.189 -0.379 RESID 92 (A): N 123.100 123.100 122.500 0.600 RESID 92 (A): C 175.600 175.600 176.753 -1.153 RESID 92 (A): CA 51.940 51.940 51.073 0.867 RESID 92 (A): CB 20.320 20.320 19.627 0.693 RESID 92 (A): H 8.135 8.135 9.095 -0.960 RESID 93 (A): N 127.000 127.000 127.709 -0.709 RESID 93 (A): C 175.700 175.700 176.665 -0.965 RESID 93 (A): CA 51.020 51.020 50.652 0.368 RESID 93 (A): CB 18.310 18.310 18.363 -0.053 RESID 93 (A): H 8.658 8.658 8.390 0.268 RESID 94 (D): N 122.900 122.900 121.704 1.196 RESID 94 (D): C 175.300 175.300 176.124 -0.824 RESID 94 (D): CA 53.910 53.910 55.153 -1.243 RESID 94 (D): CB 42.030 42.030 42.249 -0.219 RESID 94 (D): H 8.497 8.497 7.734 0.763 RESID 95 (S): N 110.300 110.300 112.202 -1.902 RESID 95 (S): C 171.600 171.600 173.071 -1.471 RESID 95 (S): CA 57.850 57.850 57.383 0.467 RESID 95 (S): CB 66.410 66.410 66.523 -0.113 RESID 95 (S): H 6.844 6.844 7.876 -1.032 RESID 96 (R): N 124.300 124.300 119.757 4.543 RESID 96 (R): C 173.700 173.700 173.846 -0.146 RESID 96 (R): CA 57.450 57.450 55.876 1.574 RESID 96 (R): CB 34.070 34.070 34.360 -0.290 RESID 96 (R): H 9.227 9.227 8.751 0.476 RESID 97 (L): N 124.100 124.100 125.054 -0.954 RESID 97 (L): C 177.600 177.600 175.913 1.687 RESID 97 (L): CA 54.150 54.150 53.830 0.320 RESID 97 (L): CB 42.640 42.640 44.385 -1.745 RESID 97 (L): H 9.343 9.343 8.048 1.295 RESID 98 (V): N 124.500 124.500 123.285 1.215 RESID 98 (V): C 175.700 175.700 175.037 0.663 RESID 98 (V): CA 61.770 61.770 60.862 0.908 RESID 98 (V): CB 32.950 32.950 32.418 0.532 RESID 98 (V): H 9.500 9.500 7.983 1.517 RESID 99 (V): N 116.800 116.800 120.657 -3.857 RESID 99 (V): C 174.600 174.600 173.981 0.619 RESID 99 (V): CA 58.190 58.190 58.784 -0.594 RESID 99 (V): CB 36.780 36.780 35.772 1.008 RESID 99 (V): H 9.192 9.192 8.075 1.117 RESID 100 (A): N 123.400 123.400 122.502 0.898 RESID 100 (A): C 179.200 179.200 178.357 0.843 RESID 100 (A): CA 52.690 52.690 50.639 2.051 RESID 100 (A): CB 18.160 18.160 20.060 -1.900 RESID 100 (A): H 9.043 9.043 8.422 0.621 RESID 101 (K): N 119.600 119.600 123.608 -4.008 RESID 101 (K): C 176.800 176.800 177.053 -0.253 RESID 101 (K): CA 59.360 59.360 58.974 0.386 RESID 101 (K): CB 31.380 31.380 31.894 -0.514 RESID 101 (K): H 7.840 7.840 8.922 -1.082 RESID 102 (N): N 114.400 114.400 115.428 -1.028 RESID 102 (N): C 175.500 175.500 175.231 0.269 RESID 102 (N): CA 52.330 52.330 54.711 -2.381 RESID 102 (N): CB 36.990 36.990 38.665 -1.675 RESID 102 (N): H 7.941 7.941 8.194 -0.253 RESID 103 (S): N 114.800 114.800 114.545 0.255 RESID 103 (S): C 176.000 176.000 173.272 2.728 RESID 103 (S): CA 58.180 58.180 57.495 0.686 RESID 103 (S): CB 64.310 64.310 63.911 0.399 RESID 103 (S): H 7.700 7.700 7.574 0.126 RESID 104 (D): N 128.500 128.500 129.276 -0.776 RESID 104 (D): C 176.700 176.700 175.173 1.527 RESID 104 (D): CA 52.990 52.990 54.021 -1.031 RESID 104 (D): CB 40.330 40.330 40.865 -0.535 RESID 104 (D): H 8.548 8.548 8.538 0.010 RESID 105 (I): N 122.800 122.800 124.710 -1.910 RESID 105 (I): C 173.800 173.800 174.607 -0.807 RESID 105 (I): CA 63.580 63.580 60.573 3.007 RESID 105 (I): CB 37.490 37.490 40.532 -3.042 RESID 105 (I): H 7.826 7.826 8.180 -0.354 RESID 106 (Q): N 124.600 124.600 125.021 -0.421 RESID 106 (Q): C 174.700 174.700 173.833 0.867 RESID 106 (Q): CA 51.380 51.380 52.099 -0.719 RESID 106 (Q): CB 31.050 31.050 29.892 1.158 RESID 106 (Q): H 8.174 8.174 8.488 -0.314 RESID 107 (P): C 175.300 175.300 175.792 -0.492 RESID 107 (P): CA 61.880 61.880 63.663 -1.783 RESID 107 (P): CB 26.860 26.860 31.022 -4.162 RESID 108 (T): N 114.600 114.600 117.705 -3.105 RESID 108 (T): C 174.000 174.000 174.385 -0.385 RESID 108 (T): CA 57.690 57.690 61.620 -3.930 RESID 108 (T): CB 71.020 71.020 71.960 -0.940 RESID 108 (T): H 8.531 8.531 7.668 0.863 RESID 109 (V): N 121.800 121.800 123.258 -1.458 RESID 109 (V): C 177.300 177.300 176.936 0.364 RESID 109 (V): CA 65.600 65.600 64.760 0.840 RESID 109 (V): CB 30.580 30.580 32.765 -2.185 RESID 109 (V): H 8.775 8.775 8.483 0.292 RESID 110 (E): N 116.900 116.900 120.836 -3.936 RESID 110 (E): C 178.400 178.400 178.677 -0.277 RESID 110 (E): CA 59.260 59.260 60.137 -0.877 RESID 110 (E): CB 28.170 28.170 29.049 -0.879 RESID 110 (E): H 8.414 8.414 8.394 0.020 RESID 111 (S): N 113.200 113.200 113.386 -0.186 RESID 111 (S): C 176.500 176.500 175.920 0.580 RESID 111 (S): CA 59.370 59.370 60.974 -1.604 RESID 111 (S): CB 63.730 63.730 62.523 1.207 RESID 111 (S): H 7.387 7.387 8.433 -1.046 RESID 112 (L): N 116.100 116.100 120.460 -4.360 RESID 112 (L): C 176.700 176.700 176.707 -0.007 RESID 112 (L): CA 54.580 54.580 55.426 -0.846 RESID 112 (L): CB 42.650 42.650 42.550 0.100 RESID 112 (L): H 7.676 7.676 7.329 0.347 RESID 113 (K): N 121.000 121.000 119.129 1.871 RESID 113 (K): C 178.200 178.200 177.491 0.709 RESID 113 (K): CA 58.850 58.850 58.222 0.628 RESID 113 (K): CB 30.850 30.850 32.262 -1.412 RESID 113 (K): H 7.445 7.445 7.692 -0.247 RESID 114 (G): N 113.900 113.900 112.939 0.961 RESID 114 (G): C 174.200 174.200 174.794 -0.594 RESID 114 (G): CA 45.240 45.240 45.329 -0.089 RESID 114 (G): H 8.454 8.454 8.355 0.099 RESID 115 (K): N 120.600 120.600 121.783 -1.183 RESID 115 (K): C 174.800 174.800 176.105 -1.305 RESID 115 (K): CA 53.710 53.710 54.776 -1.065 RESID 115 (K): CB 31.990 31.990 33.285 -1.296 RESID 115 (K): H 8.530 8.530 7.862 0.668 RESID 116 (R): N 119.300 119.300 120.754 -1.454 RESID 116 (R): C 176.000 176.000 175.411 0.589 RESID 116 (R): CA 54.720 54.720 55.726 -1.006 RESID 116 (R): CB 32.310 32.310 31.832 0.478 RESID 116 (R): H 9.455 9.455 8.501 0.954 RESID 117 (V): N 126.100 126.100 123.186 2.914 RESID 117 (V): C 175.300 175.300 174.957 0.343 RESID 117 (V): CA 60.090 60.090 60.218 -0.128 RESID 117 (V): CB 33.620 33.620 35.574 -1.954 RESID 117 (V): H 9.217 9.217 8.599 0.618 RESID 118 (G): N 114.000 114.000 113.594 0.406 RESID 118 (G): C 172.300 172.300 172.518 -0.218 RESID 118 (G): CA 45.010 45.010 43.612 1.398 RESID 118 (G): H 9.367 9.367 8.043 1.324 RESID 119 (V): N 116.400 116.400 122.233 -5.833 RESID 119 (V): C 174.100 174.100 174.040 0.060 RESID 119 (V): CA 58.270 58.270 60.449 -2.179 RESID 119 (V): CB 36.370 36.370 37.026 -0.656 RESID 119 (V): H 9.166 9.166 9.381 -0.215 RESID 120 (L): N 124.400 124.400 124.144 0.256 RESID 120 (L): C 176.900 176.900 175.674 1.226 RESID 120 (L): CA 53.690 53.690 53.949 -0.259 RESID 120 (L): CB 41.240 41.240 42.679 -1.439 RESID 120 (L): H 8.961 8.961 8.825 0.136 RESID 121 (Q): N 128.000 128.000 127.186 0.814 RESID 121 (Q): C 176.900 176.900 177.255 -0.355 RESID 121 (Q): CA 56.680 56.680 57.095 -0.415 RESID 121 (Q): CB 27.920 27.920 29.522 -1.602 RESID 121 (Q): H 9.305 9.305 8.990 0.315 RESID 122 (G): N 113.600 113.600 113.635 -0.035 RESID 122 (G): C 175.100 175.100 173.551 1.549 RESID 122 (G): CA 45.240 45.240 45.471 -0.231 RESID 122 (G): H 9.383 9.383 8.784 0.599 RESID 123 (T): N 108.400 108.400 110.080 -1.680 RESID 123 (T): C 176.800 176.800 174.422 2.378 RESID 123 (T): CA 60.260 60.260 59.996 0.264 RESID 123 (T): CB 73.530 73.530 70.647 2.883 RESID 123 (T): H 7.220 7.220 7.736 -0.516 RESID 124 (T): N 113.900 113.900 112.508 1.392 RESID 124 (T): C 178.100 178.100 176.529 1.571 RESID 124 (T): CA 63.990 63.990 64.667 -0.677 RESID 124 (T): CB 67.740 67.740 68.723 -0.983 RESID 124 (T): H 8.934 8.934 8.655 0.279 RESID 125 (Q): N 120.600 120.600 122.419 -1.819 RESID 125 (Q): C 178.300 178.300 178.092 0.208 RESID 125 (Q): CA 61.670 61.670 59.766 1.904 RESID 125 (Q): CB 25.310 25.310 28.053 -2.743 RESID 125 (Q): H 7.521 7.521 8.274 -0.753 RESID 126 (E): N 121.900 121.900 119.765 2.135 RESID 126 (E): C 177.600 177.600 178.902 -1.302 RESID 126 (E): CA 59.630 59.630 59.830 -0.200 RESID 126 (E): CB 28.730 28.730 29.647 -0.917 RESID 126 (E): H 7.717 7.717 7.816 -0.099 RESID 127 (T): N 117.800 117.800 116.227 1.573 RESID 127 (T): C 176.200 176.200 176.368 -0.168 RESID 127 (T): CA 66.340 66.340 66.802 -0.462 RESID 127 (T): CB 67.590 67.590 68.723 -1.133 RESID 127 (T): H 8.175 8.175 7.622 0.553 RESID 128 (F): N 121.900 121.900 121.967 -0.067 RESID 128 (F): C 178.000 178.000 177.535 0.465 RESID 128 (F): CA 61.590 61.590 60.731 0.859 RESID 128 (F): CB 38.810 38.810 38.925 -0.115 RESID 128 (F): H 8.882 8.882 8.601 0.281 RESID 129 (G): N 107.000 107.000 107.116 -0.116 RESID 129 (G): C 176.100 176.100 176.491 -0.391 RESID 129 (G): CA 46.690 46.690 47.215 -0.525 RESID 129 (G): H 8.900 8.900 9.157 -0.257 RESID 130 (N): N 123.000 123.000 118.454 4.546 RESID 130 (N): C 176.200 176.200 175.839 0.361 RESID 130 (N): CA 55.400 55.400 55.349 0.051 RESID 130 (N): CB 37.570 37.570 38.202 -0.632 RESID 130 (N): H 8.915 8.915 8.569 0.346 RESID 131 (E): N 119.000 119.000 116.726 2.274 RESID 131 (E): C 177.900 177.900 177.104 0.796 RESID 131 (E): CA 57.940 57.940 56.708 1.232 RESID 131 (E): CB 29.350 29.350 30.765 -1.415 RESID 131 (E): H 7.907 7.907 7.486 0.421 RESID 132 (H): N 112.600 112.600 118.633 -6.033 RESID 132 (H): C 175.900 175.900 175.548 0.352 RESID 132 (H): CA 56.910 56.910 58.792 -1.882 RESID 132 (H): CB 30.510 30.510 29.800 0.710 RESID 132 (H): H 7.877 7.877 7.892 -0.015 RESID 133 (W): N 119.300 119.300 117.437 1.863 RESID 133 (W): C 176.800 176.800 176.188 0.612 RESID 133 (W): CA 55.570 55.570 56.545 -0.976 RESID 133 (W): CB 30.400 30.400 29.747 0.653 RESID 133 (W): H 7.653 7.653 7.493 0.160 RESID 134 (A): N 125.400 125.400 124.650 0.750 RESID 134 (A): C 177.700 177.700 177.221 0.479 RESID 134 (A): CA 55.410 55.410 54.648 0.762 RESID 134 (A): CB 15.990 15.990 16.802 -0.812 RESID 134 (A): H 8.711 8.711 7.536 1.175 RESID 135 (P): C 177.200 177.200 177.236 -0.036 RESID 135 (P): CA 64.510 64.510 64.569 -0.058 RESID 135 (P): CB 30.800 30.800 30.984 -0.184 RESID 136 (K): N 115.800 115.800 116.457 -0.657 RESID 136 (K): C 176.500 176.500 177.542 -1.042 RESID 136 (K): CA 53.530 53.530 55.885 -2.354 RESID 136 (K): CB 31.430 31.430 31.868 -0.438 RESID 136 (K): H 7.665 7.665 8.103 -0.438 RESID 137 (G): N 106.100 106.100 108.346 -2.246 RESID 137 (G): C 174.300 174.300 173.528 0.772 RESID 137 (G): CA 45.740 45.740 45.377 0.363 RESID 137 (G): H 7.864 7.864 7.668 0.196 RESID 138 (I): N 124.400 124.400 119.362 5.038 RESID 138 (I): C 174.400 174.400 174.796 -0.396 RESID 138 (I): CA 60.460 60.460 60.123 0.337 RESID 138 (I): CB 38.080 38.080 39.838 -1.758 RESID 138 (I): H 6.889 6.889 7.481 -0.592 RESID 139 (E): N 128.400 128.400 127.262 1.138 RESID 139 (E): C 173.900 173.900 175.098 -1.198 RESID 139 (E): CA 56.050 56.050 55.603 0.447 RESID 139 (E): CB 29.490 29.490 31.233 -1.743 RESID 139 (E): H 8.230 8.230 8.341 -0.111 RESID 140 (I): N 129.500 129.500 121.642 7.858 RESID 140 (I): C 176.100 176.100 174.781 1.319 RESID 140 (I): CA 57.100 57.100 59.041 -1.941 RESID 140 (I): CB 34.440 34.440 40.638 -6.198 RESID 140 (I): H 8.642 8.642 8.365 0.277 RESID 141 (V): N 133.000 133.000 125.164 7.836 RESID 141 (V): C 174.400 174.400 174.610 -0.210 RESID 141 (V): CA 61.060 61.060 61.196 -0.136 RESID 141 (V): CB 32.410 32.410 36.319 -3.909 RESID 141 (V): H 9.387 9.387 8.985 0.402 RESID 142 (S): N 122.900 122.900 120.133 2.767 RESID 142 (S): C 175.000 175.000 173.619 1.381 RESID 142 (S): CA 57.710 57.710 57.527 0.183 RESID 142 (S): CB 63.710 63.710 63.725 -0.015 RESID 142 (S): H 8.490 8.490 8.449 0.041 RESID 143 (Y): N 123.400 123.400 126.163 -2.763 RESID 143 (Y): C 175.900 175.900 176.432 -0.532 RESID 143 (Y): CA 57.300 57.300 57.819 -0.519 RESID 143 (Y): CB 42.300 42.300 41.218 1.081 RESID 143 (Y): H 8.979 8.979 9.398 -0.419 RESID 144 (Q): N 119.500 119.500 120.448 -0.948 RESID 144 (Q): C 176.000 176.000 174.914 1.086 RESID 144 (Q): CA 56.490 56.490 55.964 0.526 RESID 144 (Q): CB 28.470 28.470 29.810 -1.340 RESID 144 (Q): H 8.974 8.974 8.726 0.248 RESID 145 (G): N 106.800 106.800 107.261 -0.461 RESID 145 (G): C 173.500 173.500 174.161 -0.661 RESID 145 (G): CA 44.300 44.300 44.356 -0.056 RESID 145 (G): H 7.531 7.531 7.861 -0.330 RESID 146 (Q): N 124.300 124.300 122.775 1.525 RESID 146 (Q): C 177.200 177.200 177.344 -0.144 RESID 146 (Q): CA 57.800 57.800 58.804 -1.004 RESID 146 (Q): CB 28.190 28.190 28.623 -0.433 RESID 146 (Q): H 8.949 8.949 8.861 0.088 RESID 147 (D): N 117.900 117.900 118.461 -0.561 RESID 147 (D): C 178.900 178.900 178.499 0.401 RESID 147 (D): CA 56.650 56.650 56.910 -0.260 RESID 147 (D): CB 38.890 38.890 39.732 -0.842 RESID 147 (D): H 8.746 8.746 8.789 -0.043 RESID 148 (N): N 117.500 117.500 117.767 -0.267 RESID 148 (N): C 176.700 176.700 177.385 -0.685 RESID 148 (N): CA 55.160 55.160 55.703 -0.543 RESID 148 (N): CB 38.700 38.700 38.181 0.519 RESID 148 (N): H 7.496 7.496 8.581 -1.085 RESID 149 (I): N 120.000 120.000 119.840 0.160 RESID 149 (I): C 177.400 177.400 177.517 -0.117 RESID 149 (I): CA 64.450 64.450 64.978 -0.528 RESID 149 (I): CB 35.900 35.900 37.503 -1.603 RESID 149 (I): H 6.793 6.793 7.088 -0.295 RESID 150 (Y): N 117.400 117.400 118.217 -0.817 RESID 150 (Y): C 178.800 178.800 178.047 0.753 RESID 150 (Y): CA 59.730 59.730 61.656 -1.926 RESID 150 (Y): CB 35.970 35.970 37.645 -1.675 RESID 150 (Y): H 6.897 6.897 7.383 -0.486 RESID 151 (S): N 117.000 117.000 114.948 2.052 RESID 151 (S): C 177.000 177.000 177.041 -0.041 RESID 151 (S): CA 61.300 61.300 61.704 -0.404 RESID 151 (S): CB 62.100 62.100 62.243 -0.143 RESID 151 (S): H 8.186 8.186 8.266 -0.080 RESID 152 (D): N 122.300 122.300 123.149 -0.849 RESID 152 (D): C 179.000 179.000 178.304 0.696 RESID 152 (D): CA 56.580 56.580 56.850 -0.270 RESID 152 (D): CB 38.240 38.240 40.432 -2.192 RESID 152 (D): H 7.541 7.541 7.724 -0.183 RESID 153 (L): N 124.100 124.100 121.300 2.800 RESID 153 (L): C 180.300 180.300 178.511 1.789 RESID 153 (L): CA 58.160 58.160 57.559 0.602 RESID 153 (L): CB 41.630 41.630 41.806 -0.176 RESID 153 (L): H 8.372 8.372 7.777 0.595 RESID 154 (T): N 111.900 111.900 113.302 -1.402 RESID 154 (T): C 176.700 176.700 175.409 1.291 RESID 154 (T): CA 63.920 63.920 65.419 -1.499 RESID 154 (T): CB 68.700 68.700 68.983 -0.283 RESID 154 (T): H 8.389 8.389 8.321 0.068 RESID 155 (A): N 121.800 121.800 120.185 1.615 RESID 155 (A): C 178.200 178.200 178.051 0.149 RESID 155 (A): CA 51.640 51.640 52.311 -0.671 RESID 155 (A): CB 18.990 18.990 19.427 -0.437 RESID 155 (A): H 7.444 7.444 7.076 0.368 RESID 156 (G): N 107.800 107.800 107.185 0.615 RESID 156 (G): C 175.100 175.100 175.358 -0.258 RESID 156 (G): CA 45.420 45.420 45.193 0.227 RESID 156 (G): H 7.921 7.921 7.955 -0.034 RESID 157 (R): N 119.000 119.000 119.153 -0.153 RESID 157 (R): C 176.600 176.600 175.712 0.888 RESID 157 (R): CA 57.260 57.260 57.560 -0.300 RESID 157 (R): CB 30.400 30.400 30.769 -0.369 RESID 157 (R): H 8.443 8.443 8.119 0.324 RESID 158 (I): N 108.900 108.900 112.914 -4.014 RESID 158 (I): C 173.700 173.700 174.296 -0.596 RESID 158 (I): CA 59.900 59.900 59.220 0.680 RESID 158 (I): CB 40.070 40.070 40.993 -0.923 RESID 158 (I): H 7.109 7.109 7.123 -0.014 RESID 159 (D): N 119.100 119.100 123.881 -4.781 RESID 159 (D): C 174.700 174.700 175.640 -0.940 RESID 159 (D): CA 55.900 55.900 56.310 -0.410 RESID 159 (D): CB 43.630 43.630 41.701 1.929 RESID 159 (D): H 8.737 8.737 8.546 0.191 RESID 160 (A): N 116.400 116.400 116.469 -0.069 RESID 160 (A): C 174.900 174.900 174.312 0.588 RESID 160 (A): CA 50.190 50.190 51.483 -1.293 RESID 160 (A): CB 23.030 23.030 21.360 1.669 RESID 160 (A): H 7.702 7.702 7.156 0.546 RESID 161 (A): N 123.400 123.400 121.853 1.547 RESID 161 (A): C 175.500 175.500 175.666 -0.166 RESID 161 (A): CA 49.730 49.730 50.266 -0.536 RESID 161 (A): CB 21.110 21.110 21.570 -0.460 RESID 161 (A): H 8.915 8.915 7.987 0.928 RESID 162 (F): N 125.100 125.100 122.637 2.463 RESID 162 (F): C 172.900 172.900 175.004 -2.104 RESID 162 (F): CA 54.500 54.500 58.228 -3.728 RESID 162 (F): CB 39.400 39.400 38.759 0.641 RESID 162 (F): H 8.971 8.971 8.445 0.526 RESID 163 (Q): N 124.600 124.600 123.354 1.246 RESID 163 (Q): C 173.400 173.400 173.708 -0.308 RESID 163 (Q): CA 53.550 53.550 53.635 -0.085 RESID 163 (Q): CB 34.390 34.390 33.135 1.255 RESID 163 (Q): H 7.904 7.904 8.279 -0.375 RESID 164 (D): N 122.300 122.300 121.221 1.079 RESID 164 (D): C 175.800 175.800 177.239 -1.439 RESID 164 (D): CA 55.540 55.540 54.436 1.104 RESID 164 (D): CB 42.370 42.370 42.055 0.315 RESID 164 (D): H 8.304 8.304 8.433 -0.129 RESID 165 (E): N 128.600 128.600 122.719 5.881 RESID 165 (E): C 177.700 177.700 178.100 -0.400 RESID 165 (E): CA 60.230 60.230 60.111 0.119 RESID 165 (E): CB 30.020 30.020 29.816 0.204 RESID 165 (E): H 8.605 8.605 8.748 -0.143 RESID 166 (V): N 120.100 120.100 118.839 1.261 RESID 166 (V): C 178.300 178.300 177.271 1.029 RESID 166 (V): CA 66.800 66.800 66.674 0.126 RESID 166 (V): CB 30.070 30.070 30.234 -0.164 RESID 166 (V): H 8.748 8.748 8.167 0.581 RESID 167 (A): N 123.200 123.200 120.032 3.168 RESID 167 (A): C 182.500 182.500 179.080 3.420 RESID 167 (A): CA 54.980 54.980 54.710 0.270 RESID 167 (A): CB 17.910 17.910 18.024 -0.114 RESID 167 (A): H 8.655 8.655 7.903 0.752 RESID 168 (A): N 121.300 121.300 122.171 -0.871 RESID 168 (A): C 179.800 179.800 179.728 0.072 RESID 168 (A): CA 54.180 54.180 54.540 -0.360 RESID 168 (A): CB 18.750 18.750 18.418 0.333 RESID 168 (A): H 8.349 8.349 7.860 0.489 RESID 169 (S): N 113.400 113.400 114.432 -1.032 RESID 169 (S): C 175.700 175.700 176.192 -0.492 RESID 169 (S): CA 61.050 61.050 62.554 -1.504 RESID 169 (S): CB 63.050 63.050 62.675 0.375 RESID 169 (S): H 8.058 8.058 8.117 -0.059 RESID 170 (E): N 115.600 115.600 120.397 -4.797 RESID 170 (E): C 178.800 178.800 177.396 1.404 RESID 170 (E): CA 57.610 57.610 58.077 -0.467 RESID 170 (E): CB 29.790 29.790 29.038 0.752 RESID 170 (E): H 8.824 8.824 7.847 0.977 RESID 171 (G): N 103.400 103.400 104.898 -1.498 RESID 171 (G): C 173.700 173.700 175.003 -1.303 RESID 171 (G): CA 44.970 44.970 45.267 -0.298 RESID 171 (G): H 8.154 8.154 7.353 0.801 RESID 172 (F): N 120.100 120.100 122.512 -2.412 RESID 172 (F): C 175.200 175.200 177.693 -2.493 RESID 172 (F): CA 60.690 60.690 61.142 -0.452 RESID 172 (F): CB 40.740 40.740 39.086 1.654 RESID 172 (F): H 7.297 7.297 8.323 -1.026 RESID 173 (L): N 117.800 117.800 117.754 0.046 RESID 173 (L): C 179.000 179.000 178.300 0.700 RESID 173 (L): CA 57.670 57.670 56.878 0.792 RESID 173 (L): CB 40.020 40.020 41.831 -1.811 RESID 173 (L): H 8.470 8.470 7.525 0.945 RESID 174 (K): N 114.600 114.600 116.447 -1.847 RESID 174 (K): C 176.900 176.900 176.359 0.541 RESID 174 (K): CA 56.450 56.450 57.285 -0.834 RESID 174 (K): CB 31.770 31.770 32.658 -0.888 RESID 174 (K): H 8.018 8.018 7.565 0.453 RESID 175 (Q): N 118.800 118.800 117.094 1.706 RESID 175 (Q): C 176.000 176.000 173.951 2.049 RESID 175 (Q): CA 52.510 52.510 52.218 0.292 RESID 175 (Q): CB 26.740 26.740 29.788 -3.048 RESID 175 (Q): H 7.151 7.151 7.284 -0.133 RESID 176 (P): C 179.300 179.300 177.332 1.968 RESID 176 (P): CA 66.100 66.100 65.427 0.673 RESID 176 (P): CB 30.720 30.720 31.532 -0.812 RESID 177 (V): N 112.300 112.300 117.251 -4.951 RESID 177 (V): C 175.900 175.900 177.896 -1.996 RESID 177 (V): CA 62.860 62.860 65.948 -3.088 RESID 177 (V): CB 30.660 30.660 30.585 0.075 RESID 177 (V): H 7.480 7.480 7.691 -0.211 RESID 178 (G): N 109.700 109.700 105.767 3.933 RESID 178 (G): C 175.000 175.000 174.797 0.203 RESID 178 (G): CA 44.080 44.080 46.242 -2.163 RESID 178 (G): H 7.173 7.173 7.917 -0.744 RESID 179 (K): N 120.900 120.900 119.100 1.800 RESID 179 (K): C 177.100 177.100 177.668 -0.568 RESID 179 (K): CA 58.360 58.360 58.458 -0.098 RESID 179 (K): CB 31.260 31.260 32.284 -1.024 RESID 179 (K): H 6.972 6.972 7.409 -0.437 RESID 180 (D): N 117.200 117.200 117.283 -0.083 RESID 180 (D): C 173.900 173.900 175.860 -1.960 RESID 180 (D): CA 53.920 53.920 55.879 -1.959 RESID 180 (D): CB 39.690 39.690 41.377 -1.687 RESID 180 (D): H 8.036 8.036 7.456 0.580 RESID 181 (Y): N 120.500 120.500 114.946 5.554 RESID 181 (Y): C 172.300 172.300 173.477 -1.177 RESID 181 (Y): CA 57.890 57.890 57.753 0.137 RESID 181 (Y): CB 41.860 41.860 42.383 -0.522 RESID 181 (Y): H 7.768 7.768 7.439 0.330 RESID 182 (K): N 116.900 116.900 118.664 -1.764 RESID 182 (K): C 174.900 174.900 174.268 0.632 RESID 182 (K): CA 54.330 54.330 56.466 -2.136 RESID 182 (K): CB 35.610 35.610 33.322 2.288 RESID 182 (K): H 9.497 9.497 8.850 0.647 RESID 183 (F): N 117.900 117.900 122.196 -4.296 RESID 183 (F): C 177.800 177.800 175.000 2.800 RESID 183 (F): CA 56.780 56.780 58.083 -1.303 RESID 183 (F): CB 38.320 38.320 42.840 -4.519 RESID 183 (F): H 8.470 8.470 7.864 0.606 RESID 184 (G): N 113.700 113.700 109.358 4.342 RESID 184 (G): C 173.300 173.300 174.723 -1.423 RESID 184 (G): CA 46.900 46.900 45.012 1.888 RESID 184 (G): H 9.107 9.107 8.848 0.259 RESID 185 (G): N 111.000 111.000 110.209 0.791 RESID 185 (G): C 171.100 171.100 172.899 -1.799 RESID 185 (G): CA 44.530 44.530 45.578 -1.048 RESID 185 (G): H 7.702 7.702 8.477 -0.775 RESID 186 (P): C 175.500 175.500 176.202 -0.702 RESID 186 (P): CA 61.920 61.920 64.440 -2.520 RESID 186 (P): CB 32.640 32.640 31.846 0.794 RESID 187 (S): N 113.500 113.500 119.682 -6.182 RESID 187 (S): C 173.500 173.500 173.690 -0.190 RESID 187 (S): CA 57.930 57.930 57.455 0.475 RESID 187 (S): CB 63.260 63.260 65.783 -2.523 RESID 187 (S): H 8.452 8.452 8.362 0.090 RESID 188 (V): N 123.300 123.300 122.244 1.056 RESID 188 (V): C 173.900 173.900 173.734 0.166 RESID 188 (V): CA 61.800 61.800 61.795 0.005 RESID 188 (V): CB 32.680 32.680 34.169 -1.489 RESID 188 (V): H 9.080 9.080 7.921 1.159 RESID 189 (K): N 125.200 125.200 121.903 3.297 RESID 189 (K): C 176.700 176.700 174.080 2.620 RESID 189 (K): CA 54.680 54.680 56.261 -1.581 RESID 189 (K): CB 33.780 33.780 34.423 -0.643 RESID 189 (K): H 8.123 8.123 8.171 -0.048 RESID 190 (D): N 120.300 120.300 122.110 -1.810 RESID 190 (D): C 175.300 175.300 176.890 -1.590 RESID 190 (D): CA 55.610 55.610 53.446 2.164 RESID 190 (D): CB 42.620 42.620 40.449 2.171 RESID 190 (D): H 8.823 8.823 8.286 0.537 RESID 191 (E): N 129.100 129.100 126.607 2.493 RESID 191 (E): C 177.300 177.300 177.582 -0.282 RESID 191 (E): CA 59.310 59.310 58.451 0.859 RESID 191 (E): CB 28.420 28.420 29.527 -1.107 RESID 191 (E): H 9.239 9.239 8.855 0.384 RESID 192 (K): N 118.000 118.000 119.301 -1.301 RESID 192 (K): C 178.200 178.200 178.049 0.151 RESID 192 (K): CA 58.140 58.140 58.922 -0.782 RESID 192 (K): CB 31.690 31.690 32.145 -0.455 RESID 192 (K): H 7.918 7.918 8.784 -0.866 RESID 193 (L): N 118.200 118.200 117.966 0.234 RESID 193 (L): C 177.700 177.700 177.570 0.130 RESID 193 (L): CA 55.790 55.790 56.868 -1.078 RESID 193 (L): CB 42.330 42.330 42.065 0.266 RESID 193 (L): H 8.362 8.362 7.139 1.223 RESID 194 (F): N 116.800 116.800 113.319 3.481 RESID 194 (F): C 178.200 178.200 175.840 2.360 RESID 194 (F): CA 54.620 54.620 57.517 -2.897 RESID 194 (F): CB 37.390 37.390 39.959 -2.569 RESID 194 (F): H 8.036 8.036 7.301 0.735 RESID 195 (G): N 106.900 106.900 108.843 -1.943 RESID 195 (G): C 174.200 174.200 174.557 -0.357 RESID 195 (G): CA 44.120 44.120 44.901 -0.782 RESID 195 (G): H 7.510 7.510 7.656 -0.146 RESID 196 (V): N 112.400 112.400 123.870 -11.470 RESID 196 (V): C 175.300 175.300 175.814 -0.514 RESID 196 (V): CA 60.720 60.720 63.999 -3.279 RESID 196 (V): CB 30.630 30.630 32.150 -1.520 RESID 196 (V): H 8.064 8.064 8.332 -0.268 RESID 197 (G): N 108.100 108.100 105.305 2.795 RESID 197 (G): C 172.300 172.300 171.961 0.339 RESID 197 (G): CA 43.210 43.210 45.351 -2.141 RESID 197 (G): H 7.788 7.788 7.301 0.487 RESID 198 (T): N 109.200 109.200 113.173 -3.973 RESID 198 (T): C 172.800 172.800 173.364 -0.564 RESID 198 (T): CA 59.090 59.090 59.563 -0.473 RESID 198 (T): CB 71.080 71.080 71.521 -0.441 RESID 198 (T): H 7.796 7.796 7.852 -0.056 RESID 199 (G): N 103.900 103.900 108.192 -4.292 RESID 199 (G): C 171.800 171.800 172.319 -0.519 RESID 199 (G): CA 43.840 43.840 45.717 -1.877 RESID 199 (G): H 7.928 7.928 7.777 0.151 RESID 200 (M): N 121.400 121.400 119.421 1.979 RESID 200 (M): C 176.200 176.200 176.032 0.168 RESID 200 (M): CA 55.260 55.260 54.820 0.440 RESID 200 (M): CB 33.390 33.390 35.616 -2.226 RESID 200 (M): H 7.971 7.971 8.214 -0.243 RESID 201 (G): N 112.200 112.200 110.376 1.824 RESID 201 (G): C 172.000 172.000 172.662 -0.662 RESID 201 (G): CA 44.540 44.540 44.292 0.248 RESID 201 (G): H 8.818 8.818 8.444 0.374 RESID 202 (L): N 124.700 124.700 124.882 -0.182 RESID 202 (L): C 176.000 176.000 175.932 0.068 RESID 202 (L): CA 53.740 53.740 52.833 0.907 RESID 202 (L): CB 46.010 46.010 46.026 -0.017 RESID 202 (L): H 8.767 8.767 8.666 0.101 RESID 203 (R): N 121.600 121.600 120.069 1.531 RESID 203 (R): C 180.400 180.400 177.912 2.488 RESID 203 (R): CA 57.130 57.130 55.454 1.676 RESID 203 (R): CB 29.650 29.650 31.288 -1.638 RESID 203 (R): H 10.270 10.270 8.127 2.143 RESID 204 (K): N 123.200 123.200 124.432 -1.232 RESID 204 (K): C 178.200 178.200 177.672 0.528 RESID 204 (K): CA 59.570 59.570 59.678 -0.108 RESID 204 (K): CB 31.840 31.840 32.147 -0.307 RESID 204 (K): H 9.231 9.231 8.670 0.561 RESID 205 (E): N 113.800 113.800 117.109 -3.309 RESID 205 (E): C 177.700 177.700 177.892 -0.192 RESID 205 (E): CA 57.230 57.230 58.231 -1.001 RESID 205 (E): CB 27.770 27.770 28.898 -1.128 RESID 205 (E): H 9.026 9.026 8.229 0.797 RESID 206 (D): N 126.000 126.000 120.851 5.149 RESID 206 (D): C 177.300 177.300 176.510 0.790 RESID 206 (D): CA 53.710 53.710 53.666 0.044 RESID 206 (D): CB 37.530 37.530 38.691 -1.161 RESID 206 (D): H 7.253 7.253 8.034 -0.781 RESID 207 (N): N 120.100 120.100 120.457 -0.357 RESID 207 (N): C 176.900 176.900 177.008 -0.108 RESID 207 (N): CA 56.950 56.950 56.440 0.510 RESID 207 (N): CB 38.820 38.820 38.894 -0.074 RESID 207 (N): H 7.839 7.839 8.724 -0.885 RESID 208 (E): N 120.500 120.500 118.980 1.520 RESID 208 (E): C 179.900 179.900 178.470 1.430 RESID 208 (E): CA 59.870 59.870 58.975 0.895 RESID 208 (E): CB 27.630 27.630 29.445 -1.815 RESID 208 (E): H 8.776 8.776 8.333 0.443 RESID 209 (L): N 122.900 122.900 120.436 2.464 RESID 209 (L): C 177.100 177.100 178.209 -1.109 RESID 209 (L): CA 57.400 57.400 57.551 -0.151 RESID 209 (L): CB 40.660 40.660 41.840 -1.180 RESID 209 (L): H 8.366 8.366 7.860 0.506 RESID 210 (R): N 119.100 119.100 118.760 0.340 RESID 210 (R): C 177.400 177.400 178.222 -0.822 RESID 210 (R): CA 59.970 59.970 59.738 0.232 RESID 210 (R): CB 30.110 30.110 30.024 0.086 RESID 210 (R): H 7.582 7.582 8.322 -0.740 RESID 211 (E): N 116.200 116.200 119.256 -3.056 RESID 211 (E): C 179.800 179.800 178.533 1.267 RESID 211 (E): CA 59.150 59.150 59.265 -0.115 RESID 211 (E): CB 28.600 28.600 29.593 -0.993 RESID 211 (E): H 8.407 8.407 7.877 0.530 RESID 212 (A): N 123.500 123.500 122.688 0.812 RESID 212 (A): C 181.300 181.300 179.655 1.645 RESID 212 (A): CA 54.810 54.810 54.715 0.095 RESID 212 (A): CB 17.170 17.170 18.136 -0.966 RESID 212 (A): H 8.128 8.128 7.629 0.499 RESID 213 (L): N 121.200 121.200 119.616 1.584 RESID 213 (L): C 178.400 178.400 179.618 -1.218 RESID 213 (L): CA 57.710 57.710 58.203 -0.493 RESID 213 (L): CB 41.450 41.450 41.211 0.240 RESID 213 (L): H 8.364 8.364 8.064 0.300 RESID 214 (N): N 119.200 119.200 116.485 2.715 RESID 214 (N): C 179.700 179.700 177.856 1.844 RESID 214 (N): CA 55.260 55.260 55.883 -0.623 RESID 214 (N): CB 37.120 37.120 37.916 -0.796 RESID 214 (N): H 8.435 8.435 8.346 0.089 RESID 215 (K): N 123.800 123.800 121.325 2.475 RESID 215 (K): C 178.400 178.400 178.519 -0.119 RESID 215 (K): CA 59.090 59.090 59.398 -0.308 RESID 215 (K): CB 31.740 31.740 32.483 -0.743 RESID 215 (K): H 8.080 8.080 8.447 -0.367 RESID 216 (A): N 122.200 122.200 121.742 0.458 RESID 216 (A): C 179.500 179.500 179.514 -0.014 RESID 216 (A): CA 54.140 54.140 54.890 -0.750 RESID 216 (A): CB 18.700 18.700 18.267 0.433 RESID 216 (A): H 7.935 7.935 8.256 -0.321 RESID 217 (F): N 119.500 119.500 120.115 -0.615 RESID 217 (F): C 177.200 177.200 176.975 0.225 RESID 217 (F): CA 61.390 61.390 60.284 1.106 RESID 217 (F): CB 38.000 38.000 39.071 -1.071 RESID 217 (F): H 8.916 8.916 8.338 0.578 RESID 218 (A): N 121.300 121.300 121.226 0.074 RESID 218 (A): C 182.100 182.100 179.673 2.427 RESID 218 (A): CA 54.810 54.810 55.207 -0.397 RESID 218 (A): CB 16.650 16.650 17.991 -1.341 RESID 218 (A): H 7.956 7.956 8.155 -0.199 RESID 219 (E): N 120.000 120.000 119.037 0.963 RESID 219 (E): C 178.600 178.600 179.006 -0.406 RESID 219 (E): CA 59.040 59.040 59.312 -0.272 RESID 219 (E): CB 28.320 28.320 29.479 -1.159 RESID 219 (E): H 7.952 7.952 7.847 0.105 RESID 220 (M): N 120.900 120.900 118.246 2.654 RESID 220 (M): C 179.000 179.000 178.611 0.389 RESID 220 (M): CA 57.430 57.430 59.554 -2.124 RESID 220 (M): CB 32.620 32.620 32.429 0.190 RESID 220 (M): H 8.190 8.190 8.073 0.117 RESID 221 (R): N 119.200 119.200 118.375 0.825 RESID 221 (R): C 179.300 179.300 178.892 0.408 RESID 221 (R): CA 58.710 58.710 58.934 -0.223 RESID 221 (R): CB 27.480 27.480 29.863 -2.383 RESID 221 (R): H 7.762 7.762 7.522 0.240 RESID 222 (A): N 122.500 122.500 122.103 0.397 RESID 222 (A): C 179.300 179.300 178.932 0.368 RESID 222 (A): CA 54.180 54.180 54.630 -0.450 RESID 222 (A): CB 18.030 18.030 18.549 -0.519 RESID 222 (A): H 7.838 7.838 7.747 0.091 RESID 223 (D): N 115.100 115.100 114.694 0.406 RESID 223 (D): C 177.900 177.900 177.265 0.635 RESID 223 (D): CA 53.020 53.020 53.139 -0.119 RESID 223 (D): CB 39.570 39.570 40.441 -0.871 RESID 223 (D): H 8.091 8.091 7.985 0.106 RESID 224 (G): N 106.700 106.700 108.828 -2.128 RESID 224 (G): C 176.000 176.000 176.010 -0.010 RESID 224 (G): CA 45.070 45.070 46.312 -1.242 RESID 224 (G): H 7.199 7.199 7.426 -0.227 RESID 225 (T): N 122.400 122.400 117.147 5.253 RESID 225 (T): C 175.700 175.700 175.319 0.381 RESID 225 (T): CA 67.610 67.610 67.858 -0.248 RESID 225 (T): CB 66.840 66.840 68.756 -1.916 RESID 225 (T): H 9.095 9.095 8.753 0.342 RESID 226 (Y): N 121.500 121.500 121.696 -0.196 RESID 226 (Y): C 176.000 176.000 176.911 -0.911 RESID 226 (Y): CA 62.530 62.530 62.304 0.226 RESID 226 (Y): CB 38.410 38.410 38.319 0.091 RESID 226 (Y): H 8.040 8.040 7.642 0.398 RESID 227 (E): N 118.200 118.200 118.728 -0.528 RESID 227 (E): C 178.200 178.200 178.689 -0.489 RESID 227 (E): CA 58.940 58.940 59.477 -0.537 RESID 227 (E): CB 28.810 28.810 29.126 -0.316 RESID 227 (E): H 8.153 8.153 8.587 -0.434 RESID 228 (K): N 119.100 119.100 120.405 -1.305 RESID 228 (K): C 179.500 179.500 179.062 0.438 RESID 228 (K): CA 59.260 59.260 59.505 -0.245 RESID 228 (K): CB 31.520 31.520 32.415 -0.895 RESID 228 (K): H 7.558 7.558 8.388 -0.830 RESID 229 (L): N 119.100 119.100 119.356 -0.256 RESID 229 (L): C 179.300 179.300 178.846 0.454 RESID 229 (L): CA 56.970 56.970 57.720 -0.750 RESID 229 (L): CB 41.520 41.520 41.851 -0.331 RESID 229 (L): H 8.055 8.055 8.071 -0.016 RESID 230 (A): N 121.200 121.200 122.110 -0.910 RESID 230 (A): C 180.500 180.500 179.249 1.251 RESID 230 (A): CA 54.890 54.890 55.538 -0.647 RESID 230 (A): CB 17.570 17.570 17.750 -0.180 RESID 230 (A): H 8.901 8.901 8.322 0.579 RESID 231 (K): N 117.200 117.200 117.989 -0.789 RESID 231 (K): C 177.700 177.700 178.158 -0.458 RESID 231 (K): CA 57.370 57.370 58.776 -1.407 RESID 231 (K): CB 31.330 31.330 32.359 -1.029 RESID 231 (K): H 8.062 8.062 8.115 -0.053 RESID 232 (K): N 117.600 117.600 116.758 0.842 RESID 232 (K): C 176.800 176.800 179.193 -2.393 RESID 232 (K): CA 57.890 57.890 58.645 -0.755 RESID 232 (K): CB 31.150 31.150 32.558 -1.408 RESID 232 (K): H 7.053 7.053 7.462 -0.409 RESID 233 (Y): N 114.000 114.000 117.060 -3.060 RESID 233 (Y): C 175.100 175.100 175.787 -0.687 RESID 233 (Y): CA 58.110 58.110 61.241 -3.131 RESID 233 (Y): CB 39.360 39.360 38.962 0.398 RESID 233 (Y): H 7.013 7.013 8.000 -0.987 RESID 234 (F): N 116.400 116.400 113.464 2.936 RESID 234 (F): C 175.800 175.800 173.437 2.363 RESID 234 (F): CA 54.920 54.920 56.722 -1.802 RESID 234 (F): CB 41.260 41.260 42.815 -1.555 RESID 234 (F): H 8.038 8.038 8.194 -0.156 RESID 235 (D): N 123.000 123.000 120.691 2.309 RESID 235 (D): C 174.500 174.500 175.109 -0.609 RESID 235 (D): CA 52.680 52.680 53.436 -0.756 RESID 235 (D): CB 39.860 39.860 39.818 0.042 RESID 235 (D): H 8.879 8.879 8.640 0.239 RESID 236 (F): N 115.500 115.500 122.085 -6.585 RESID 236 (F): C 173.600 173.600 173.553 0.047 RESID 236 (F): CA 53.950 53.950 56.356 -2.406 RESID 236 (F): CB 39.860 39.860 39.747 0.113 RESID 236 (F): H 6.793 6.793 7.465 -0.672 RESID 237 (D): N 119.700 119.700 122.102 -2.402 RESID 237 (D): C 175.800 175.800 177.157 -1.357 RESID 237 (D): CA 52.980 52.980 52.651 0.328 RESID 237 (D): CB 39.210 39.210 41.903 -2.693 RESID 237 (D): H 8.831 8.831 8.668 0.163 RESID 238 (V): N 129.900 129.900 122.636 7.264 RESID 238 (V): C 175.200 175.200 176.677 -1.477 RESID 238 (V): CA 61.840 61.840 65.109 -3.269 RESID 238 (V): CB 32.500 32.500 31.897 0.603 RESID 238 (V): H 7.376 7.376 8.400 -1.024 RESID 239 (Y): N 123.500 123.500 119.051 4.449 RESID 239 (Y): C 176.500 176.500 178.544 -2.044 RESID 239 (Y): CA 61.920 61.920 61.065 0.855 RESID 239 (Y): CB 38.010 38.010 37.793 0.217 RESID 239 (Y): H 8.314 8.314 7.895 0.419 RESID 240 (G): N 104.100 104.100 104.450 -0.350 RESID 240 (G): C 174.600 174.600 174.899 -0.299 RESID 240 (G): CA 45.930 45.930 45.308 0.622 RESID 240 (G): H 7.428 7.428 8.421 -0.993 N HA C CA CB H RESID 6 (P): ----- ----- -0.723 -0.622 -0.727 ----- RESID 7 (Q): -0.391 ----- -0.433 -0.642 -0.632 -0.307 RESID 8 (N): 2.008 ----- -0.262 -0.645 -1.415 -0.335 RESID 9 (I): -1.693 ----- -0.218 -0.595 -0.539 -0.734 RESID 10 (R): -0.604 ----- 0.321 -1.419 -0.652 0.577 RESID 11 (I): 2.585 ----- 0.496 0.069 -4.173 0.193 RESID 12 (G): 0.602 ----- -1.321 0.242 ----- 0.853 RESID 13 (T): -1.057 ----- 8.518 -0.599 -1.744 0.621 RESID 14 (D): -0.853 ----- 2.736 -0.553 -1.714 -0.491 RESID 15 (P): ----- ----- -1.005 -1.441 -4.502 ----- RESID 16 (T): 5.381 ----- 0.703 -2.491 -1.228 0.446 RESID 17 (Y): 4.006 ----- -0.444 -1.982 0.124 0.867 RESID 18 (A): 2.434 ----- -0.466 -4.561 -0.179 0.025 RESID 19 (P): ----- ----- -4.320 -2.346 0.189 ----- RESID 20 (F): 7.819 ----- 1.221 2.925 -3.081 -0.172 RESID 21 (E): -2.712 ----- -0.761 -1.116 -5.222 -0.789 RESID 22 (S): 4.122 ----- -0.780 -1.295 -1.180 0.449 RESID 23 (K): -2.033 ----- 2.532 -1.636 -1.845 -0.004 RESID 24 (N): 1.453 ----- 0.959 -1.255 -1.981 -0.006 RESID 25 (S): ----- ----- -0.017 0.034 -0.113 ----- RESID 26 (Q): -0.175 ----- -0.593 -0.482 -0.437 -0.870 RESID 27 (G): 1.146 ----- -0.369 -0.035 ----- 0.320 RESID 28 (E): 0.533 ----- 0.135 -1.446 -0.853 -0.220 RESID 29 (L): 2.340 ----- 1.061 0.499 -1.691 0.032 RESID 30 (V): -4.195 ----- 1.857 -1.641 0.177 1.294 RESID 31 (G): -0.173 ----- 0.927 -1.324 ----- 1.087 RESID 32 (F): -2.638 ----- 2.028 -0.936 -0.328 0.183 RESID 33 (D): -2.607 ----- 1.044 -0.422 -1.670 1.579 RESID 34 (I): -0.935 ----- 0.246 -3.790 -4.227 -1.194 RESID 35 (D): 0.629 ----- 1.619 -0.316 0.127 0.706 RESID 36 (L): -0.360 ----- 0.511 -0.063 0.643 1.277 RESID 37 (A): -1.418 ----- -0.985 -0.056 -1.121 0.715 RESID 38 (K): -2.980 ----- 0.982 0.507 -0.549 0.608 RESID 39 (E): 2.037 ----- -1.070 -0.889 -1.506 -0.084 RESID 40 (L): 1.114 ----- -0.095 0.229 -1.521 0.733 RESID 41 (C): -2.739 ----- -1.658 -0.367 21.397 0.034 RESID 42 (K): -0.329 ----- 1.669 -0.639 -0.925 -0.535 RESID 43 (R): 1.527 ----- 0.031 0.295 -0.230 0.430 RESID 44 (I): -5.723 ----- -0.822 -2.112 -1.565 -0.646 RESID 45 (N): 3.052 ----- -0.344 -0.955 0.708 -0.292 RESID 46 (T): 7.040 ----- 0.268 -0.256 -1.370 -0.005 RESID 47 (Q): 3.491 ----- 0.830 -0.549 -1.816 -0.323 RESID 48 (C): -0.583 ----- -0.595 -4.722 17.873 0.198 RESID 49 (T): -1.866 ----- 0.144 -1.048 -0.108 -0.487 RESID 50 (F): -2.129 ----- -0.148 -0.011 0.456 0.351 RESID 51 (V): 2.554 ----- -0.030 -0.032 -1.678 0.202 RESID 52 (E): -2.075 ----- 1.662 -2.794 -1.049 -0.157 RESID 53 (N): 6.436 ----- -1.810 -0.252 5.642 0.684 RESID 54 (P): ----- ----- -0.182 -0.686 -1.446 ----- RESID 55 (L): 0.018 ----- 0.883 -1.115 0.093 0.301 RESID 56 (D): -3.602 ----- -0.823 -0.784 -0.540 0.116 RESID 57 (A): 0.510 ----- 1.034 -2.164 -0.481 -0.243 RESID 58 (L): 1.101 ----- -0.964 0.843 -1.765 -0.354 RESID 59 (I): 0.102 ----- 1.258 1.641 -0.708 1.377 RESID 60 (P): ----- ----- 0.876 -0.635 -1.281 ----- RESID 61 (S): -0.087 ----- -1.187 0.296 ----- -0.338 RESID 62 (L): 3.139 ----- 2.020 -0.308 0.049 0.157 RESID 63 (K): 1.934 ----- 0.091 0.331 -1.706 0.694 RESID 64 (A): 0.015 ----- -0.475 -0.314 -0.450 -0.292 RESID 65 (K): -1.795 ----- -0.471 -0.184 -2.175 0.068 RESID 66 (K): 2.885 ----- -0.524 -1.251 -0.842 0.629 RESID 67 (I): -5.000 ----- -1.395 0.008 -0.573 -0.211 RESID 68 (D): -2.962 ----- -3.567 0.185 1.616 1.156 RESID 69 (A): -0.693 ----- 1.054 -1.056 -0.159 0.019 RESID 70 (I): -0.234 ----- 0.086 -0.597 0.175 1.356 RESID 71 (M): -1.146 ----- -1.393 -1.894 -0.703 0.164 RESID 72 (S): 1.889 ----- -0.979 1.035 -0.609 0.120 RESID 73 (S): 4.342 ----- -0.088 -1.182 0.119 -0.028 RESID 74 (L): -3.224 ----- -0.583 -1.125 -0.286 0.994 RESID 75 (S): 2.036 ----- 0.867 2.242 -1.774 0.235 RESID 76 (I): 9.390 ----- 1.062 1.648 -3.848 0.090 RESID 77 (T): 3.143 ----- -0.266 -2.232 -0.728 -1.012 RESID 78 (E): -0.450 ----- 1.617 -1.721 -0.641 0.027 RESID 79 (K): 0.117 ----- 1.569 -0.291 -0.690 0.046 RESID 80 (R): -0.329 ----- 0.152 0.378 0.314 0.281 RESID 81 (Q): -0.619 ----- -2.275 -1.409 0.311 0.142 RESID 82 (Q): -2.415 ----- -0.435 -1.073 -0.566 -0.636 RESID 83 (E): -2.144 ----- -0.903 -1.429 1.899 -0.294 RESID 84 (I): 3.231 ----- -1.340 0.488 -0.692 0.295 RESID 85 (A): 0.218 ----- -0.269 -1.127 0.869 0.277 RESID 86 (F): -3.617 ----- 2.985 -1.066 0.260 -0.333 RESID 87 (T): -6.774 ----- 0.905 0.777 2.660 -0.491 RESID 88 (D): -2.006 ----- -1.324 -0.748 1.055 -0.013 RESID 89 (K): 1.481 ----- -0.504 -1.701 0.339 -0.020 RESID 90 (L): -2.971 ----- 0.270 -2.867 -1.601 0.006 RESID 91 (Y): 0.535 ----- -1.073 0.533 -2.895 -0.379 RESID 92 (A): 0.600 ----- -1.153 0.867 0.693 -0.960 RESID 93 (A): -0.709 ----- -0.965 0.368 -0.053 0.268 RESID 94 (D): 1.196 ----- -0.824 -1.243 -0.219 0.763 RESID 95 (S): -1.902 ----- -1.471 0.467 -0.113 -1.032 RESID 96 (R): 4.543 ----- -0.146 1.574 -0.290 0.476 RESID 97 (L): -0.954 ----- 1.687 0.320 -1.745 1.295 RESID 98 (V): 1.215 ----- 0.663 0.908 0.532 1.517 RESID 99 (V): -3.857 ----- 0.619 -0.594 1.008 1.117 RESID 100 (A): 0.898 ----- 0.843 2.051 -1.900 0.621 RESID 101 (K): -4.008 ----- -0.253 0.386 -0.514 -1.082 RESID 102 (N): -1.028 ----- 0.269 -2.381 -1.675 -0.253 RESID 103 (S): 0.255 ----- 2.728 0.686 0.399 0.126 RESID 104 (D): -0.776 ----- 1.527 -1.031 -0.535 0.010 RESID 105 (I): -1.910 ----- -0.807 3.007 -3.042 -0.354 RESID 106 (Q): -0.421 ----- 0.867 -0.719 1.158 -0.314 RESID 107 (P): ----- ----- -0.492 -1.783 -4.162 ----- RESID 108 (T): -3.105 ----- -0.385 -3.930 -0.940 0.863 RESID 109 (V): -1.458 ----- 0.364 0.840 -2.185 0.292 RESID 110 (E): -3.936 ----- -0.277 -0.877 -0.879 0.020 RESID 111 (S): -0.186 ----- 0.580 -1.604 1.207 -1.046 RESID 112 (L): -4.360 ----- -0.007 -0.846 0.100 0.347 RESID 113 (K): 1.871 ----- 0.709 0.628 -1.412 -0.247 RESID 114 (G): 0.961 ----- -0.594 -0.089 ----- 0.099 RESID 115 (K): -1.183 ----- -1.305 -1.065 -1.296 0.668 RESID 116 (R): -1.454 ----- 0.589 -1.006 0.478 0.954 RESID 117 (V): 2.914 ----- 0.343 -0.128 -1.954 0.618 RESID 118 (G): 0.406 ----- -0.218 1.398 ----- 1.324 RESID 119 (V): -5.833 ----- 0.060 -2.179 -0.656 -0.215 RESID 120 (L): 0.256 ----- 1.226 -0.259 -1.439 0.136 RESID 121 (Q): 0.814 ----- -0.355 -0.415 -1.602 0.315 RESID 122 (G): -0.035 ----- 1.549 -0.231 ----- 0.599 RESID 123 (T): -1.680 ----- 2.378 0.264 2.883 -0.516 RESID 124 (T): 1.392 ----- 1.571 -0.677 -0.983 0.279 RESID 125 (Q): -1.819 ----- 0.208 1.904 -2.743 -0.753 RESID 126 (E): 2.135 ----- -1.302 -0.200 -0.917 -0.099 RESID 127 (T): 1.573 ----- -0.168 -0.462 -1.133 0.553 RESID 128 (F): -0.067 ----- 0.465 0.859 -0.115 0.281 RESID 129 (G): -0.116 ----- -0.391 -0.525 ----- -0.257 RESID 130 (N): 4.546 ----- 0.361 0.051 -0.632 0.346 RESID 131 (E): 2.274 ----- 0.796 1.232 -1.415 0.421 RESID 132 (H): -6.033 ----- 0.352 -1.882 0.710 -0.015 RESID 133 (W): 1.863 ----- 0.612 -0.976 0.653 0.160 RESID 134 (A): 0.750 ----- 0.479 0.762 -0.812 1.175 RESID 135 (P): ----- ----- -0.036 -0.058 -0.184 ----- RESID 136 (K): -0.657 ----- -1.042 -2.354 -0.438 -0.438 RESID 137 (G): -2.246 ----- 0.772 0.363 ----- 0.196 RESID 138 (I): 5.038 ----- -0.396 0.337 -1.758 -0.592 RESID 139 (E): 1.138 ----- -1.198 0.447 -1.743 -0.111 RESID 140 (I): 7.858 ----- 1.319 -1.941 -6.198 0.277 RESID 141 (V): 7.836 ----- -0.210 -0.136 -3.909 0.402 RESID 142 (S): 2.767 ----- 1.381 0.183 -0.015 0.041 RESID 143 (Y): -2.763 ----- -0.532 -0.519 1.081 -0.419 RESID 144 (Q): -0.948 ----- 1.086 0.526 -1.340 0.248 RESID 145 (G): -0.461 ----- -0.661 -0.056 ----- -0.330 RESID 146 (Q): 1.525 ----- -0.144 -1.004 -0.433 0.088 RESID 147 (D): -0.561 ----- 0.401 -0.260 -0.842 -0.043 RESID 148 (N): -0.267 ----- -0.685 -0.543 0.519 -1.085 RESID 149 (I): 0.160 ----- -0.117 -0.528 -1.603 -0.295 RESID 150 (Y): -0.817 ----- 0.753 -1.926 -1.675 -0.486 RESID 151 (S): 2.052 ----- -0.041 -0.404 -0.143 -0.080 RESID 152 (D): -0.849 ----- 0.696 -0.270 -2.192 -0.183 RESID 153 (L): 2.800 ----- 1.789 0.602 -0.176 0.595 RESID 154 (T): -1.402 ----- 1.291 -1.499 -0.283 0.068 RESID 155 (A): 1.615 ----- 0.149 -0.671 -0.437 0.368 RESID 156 (G): 0.615 ----- -0.258 0.227 ----- -0.034 RESID 157 (R): -0.153 ----- 0.888 -0.300 -0.369 0.324 RESID 158 (I): -4.014 ----- -0.596 0.680 -0.923 -0.014 RESID 159 (D): -4.781 ----- -0.940 -0.410 1.929 0.191 RESID 160 (A): -0.069 ----- 0.588 -1.293 1.669 0.546 RESID 161 (A): 1.547 ----- -0.166 -0.536 -0.460 0.928 RESID 162 (F): 2.463 ----- -2.104 -3.728 0.641 0.526 RESID 163 (Q): 1.246 ----- -0.308 -0.085 1.255 -0.375 RESID 164 (D): 1.079 ----- -1.439 1.104 0.315 -0.129 RESID 165 (E): 5.881 ----- -0.400 0.119 0.204 -0.143 RESID 166 (V): 1.261 ----- 1.029 0.126 -0.164 0.581 RESID 167 (A): 3.168 ----- 3.420 0.270 -0.114 0.752 RESID 168 (A): -0.871 ----- 0.072 -0.360 0.333 0.489 RESID 169 (S): -1.032 ----- -0.492 -1.504 0.375 -0.059 RESID 170 (E): -4.797 ----- 1.404 -0.467 0.752 0.977 RESID 171 (G): -1.498 ----- -1.303 -0.298 ----- 0.801 RESID 172 (F): -2.412 ----- -2.493 -0.452 1.654 -1.026 RESID 173 (L): 0.046 ----- 0.700 0.792 -1.811 0.945 RESID 174 (K): -1.847 ----- 0.541 -0.834 -0.888 0.453 RESID 175 (Q): 1.706 ----- 2.049 0.292 -3.048 -0.133 RESID 176 (P): ----- ----- 1.968 0.673 -0.812 ----- RESID 177 (V): -4.951 ----- -1.996 -3.088 0.075 -0.211 RESID 178 (G): 3.933 ----- 0.203 -2.163 ----- -0.744 RESID 179 (K): 1.800 ----- -0.568 -0.098 -1.024 -0.437 RESID 180 (D): -0.083 ----- -1.960 -1.959 -1.687 0.580 RESID 181 (Y): 5.554 ----- -1.177 0.137 -0.522 0.330 RESID 182 (K): -1.764 ----- 0.632 -2.136 2.288 0.647 RESID 183 (F): -4.296 ----- 2.800 -1.303 -4.519 0.606 RESID 184 (G): 4.342 ----- -1.423 1.888 ----- 0.259 RESID 185 (G): 0.791 ----- -1.799 -1.048 ----- -0.775 RESID 186 (P): ----- ----- -0.702 -2.520 0.794 ----- RESID 187 (S): -6.182 ----- -0.190 0.475 -2.523 0.090 RESID 188 (V): 1.056 ----- 0.166 0.005 -1.489 1.159 RESID 189 (K): 3.297 ----- 2.620 -1.581 -0.643 -0.048 RESID 190 (D): -1.810 ----- -1.590 2.164 2.171 0.537 RESID 191 (E): 2.493 ----- -0.282 0.859 -1.107 0.384 RESID 192 (K): -1.301 ----- 0.151 -0.782 -0.455 -0.866 RESID 193 (L): 0.234 ----- 0.130 -1.078 0.266 1.223 RESID 194 (F): 3.481 ----- 2.360 -2.897 -2.569 0.735 RESID 195 (G): -1.943 ----- -0.357 -0.782 ----- -0.146 RESID 196 (V): -11.470 ----- -0.514 -3.279 -1.520 -0.268 RESID 197 (G): 2.795 ----- 0.339 -2.141 ----- 0.487 RESID 198 (T): -3.973 ----- -0.564 -0.473 -0.441 -0.056 RESID 199 (G): -4.292 ----- -0.519 -1.877 ----- 0.151 RESID 200 (M): 1.979 ----- 0.168 0.440 -2.226 -0.243 RESID 201 (G): 1.824 ----- -0.662 0.248 ----- 0.374 RESID 202 (L): -0.182 ----- 0.068 0.907 -0.017 0.101 RESID 203 (R): 1.531 ----- 2.488 1.676 -1.638 2.143 RESID 204 (K): -1.232 ----- 0.528 -0.108 -0.307 0.561 RESID 205 (E): -3.309 ----- -0.192 -1.001 -1.128 0.797 RESID 206 (D): 5.149 ----- 0.790 0.044 -1.161 -0.781 RESID 207 (N): -0.357 ----- -0.108 0.510 -0.074 -0.885 RESID 208 (E): 1.520 ----- 1.430 0.895 -1.815 0.443 RESID 209 (L): 2.464 ----- -1.109 -0.151 -1.180 0.506 RESID 210 (R): 0.340 ----- -0.822 0.232 0.086 -0.740 RESID 211 (E): -3.056 ----- 1.267 -0.115 -0.993 0.530 RESID 212 (A): 0.812 ----- 1.645 0.095 -0.966 0.499 RESID 213 (L): 1.584 ----- -1.218 -0.493 0.240 0.300 RESID 214 (N): 2.715 ----- 1.844 -0.623 -0.796 0.089 RESID 215 (K): 2.475 ----- -0.119 -0.308 -0.743 -0.367 RESID 216 (A): 0.458 ----- -0.014 -0.750 0.433 -0.321 RESID 217 (F): -0.615 ----- 0.225 1.106 -1.071 0.578 RESID 218 (A): 0.074 ----- 2.427 -0.397 -1.341 -0.199 RESID 219 (E): 0.963 ----- -0.406 -0.272 -1.159 0.105 RESID 220 (M): 2.654 ----- 0.389 -2.124 0.190 0.117 RESID 221 (R): 0.825 ----- 0.408 -0.223 -2.383 0.240 RESID 222 (A): 0.397 ----- 0.368 -0.450 -0.519 0.091 RESID 223 (D): 0.406 ----- 0.635 -0.119 -0.871 0.106 RESID 224 (G): -2.128 ----- -0.010 -1.242 ----- -0.227 RESID 225 (T): 5.253 ----- 0.381 -0.248 -1.916 0.342 RESID 226 (Y): -0.196 ----- -0.911 0.226 0.091 0.398 RESID 227 (E): -0.528 ----- -0.489 -0.537 -0.316 -0.434 RESID 228 (K): -1.305 ----- 0.438 -0.245 -0.895 -0.830 RESID 229 (L): -0.256 ----- 0.454 -0.750 -0.331 -0.016 RESID 230 (A): -0.910 ----- 1.251 -0.647 -0.180 0.579 RESID 231 (K): -0.789 ----- -0.458 -1.407 -1.029 -0.053 RESID 232 (K): 0.842 ----- -2.393 -0.755 -1.408 -0.409 RESID 233 (Y): -3.060 ----- -0.687 -3.131 0.398 -0.987 RESID 234 (F): 2.936 ----- 2.363 -1.802 -1.555 -0.156 RESID 235 (D): 2.309 ----- -0.609 -0.756 0.042 0.239 RESID 236 (F): -6.585 ----- 0.047 -2.406 0.113 -0.672 RESID 237 (D): -2.402 ----- -1.357 0.328 -2.693 0.163 RESID 238 (V): 7.264 ----- -1.477 -3.269 0.603 -1.024 RESID 239 (Y): 4.449 ----- -2.044 0.855 0.217 0.419 RESID 240 (G): -0.350 ----- -0.299 0.622 ----- -0.993 DATA CS_STAT_INFO N RMS: 2.907 ppm Count: 226 Average Difference: -0.145 +/- 2.910 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.289 ppm Count: 236 Average Difference: -0.112 +/- 1.286 ppm DATA CS_STAT_INFO CA RMS: 1.334 ppm Count: 236 Average Difference: 0.535 +/- 1.225 ppm DATA CS_STAT_INFO CB RMS: 2.459 ppm Count: 215 Average Difference: 0.522 +/- 2.409 ppm DATA CS_STAT_INFO HN RMS: 0.592 ppm Count: 226 Average Difference: -0.118 +/- 0.581 ppm ############################################################################ For conformer 20: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.283 0.017 RESID 5 (I): C 174.300 174.300 174.344 -0.044 RESID 5 (I): CA 57.710 57.710 59.838 -2.128 RESID 5 (I): CB 37.260 37.260 37.773 -0.513 RESID 5 (I): H 7.868 7.868 8.225 -0.357 RESID 6 (P): C 176.100 176.100 177.527 -1.427 RESID 6 (P): CA 62.180 62.180 62.998 -0.818 RESID 6 (P): CB 31.620 31.620 32.094 -0.474 RESID 7 (Q): N 119.200 119.200 121.145 -1.945 RESID 7 (Q): C 175.600 175.600 175.528 0.072 RESID 7 (Q): CA 57.190 57.190 58.248 -1.058 RESID 7 (Q): CB 28.500 28.500 29.222 -0.722 RESID 7 (Q): H 8.380 8.380 8.662 -0.282 RESID 8 (N): N 116.300 116.300 114.296 2.004 RESID 8 (N): C 173.600 173.600 173.874 -0.274 RESID 8 (N): CA 51.720 51.720 52.363 -0.643 RESID 8 (N): CB 40.540 40.540 42.008 -1.468 RESID 8 (N): H 7.472 7.472 7.834 -0.362 RESID 9 (I): N 121.000 121.000 122.319 -1.319 RESID 9 (I): C 174.700 174.700 174.815 -0.115 RESID 9 (I): CA 59.480 59.480 60.046 -0.566 RESID 9 (I): CB 39.740 39.740 40.338 -0.598 RESID 9 (I): H 8.416 8.416 9.156 -0.740 RESID 10 (R): N 126.500 126.500 127.434 -0.934 RESID 10 (R): C 175.800 175.800 175.080 0.720 RESID 10 (R): CA 53.950 53.950 55.406 -1.456 RESID 10 (R): CB 30.670 30.670 31.424 -0.754 RESID 10 (R): H 9.098 9.098 8.095 1.003 RESID 11 (I): N 127.500 127.500 124.159 3.341 RESID 11 (I): C 175.600 175.600 175.277 0.323 RESID 11 (I): CA 59.480 59.480 59.207 0.273 RESID 11 (I): CB 37.460 37.460 41.587 -4.127 RESID 11 (I): H 9.279 9.279 9.013 0.266 RESID 12 (G): N 114.800 114.800 114.388 0.412 RESID 12 (G): C 171.700 171.700 173.218 -1.518 RESID 12 (G): CA 44.540 44.540 44.322 0.218 RESID 12 (G): H 9.382 9.382 8.485 0.897 RESID 13 (T): N 120.600 120.600 122.193 -1.593 RESID 13 (T): C 181.600 181.600 173.269 8.331 RESID 13 (T): CA 61.470 61.470 61.815 -0.345 RESID 13 (T): CB 69.970 69.970 71.474 -1.504 RESID 13 (T): H 8.594 8.594 7.808 0.786 RESID 14 (D): N 127.000 127.000 127.707 -0.707 RESID 14 (D): C 177.500 177.500 174.519 2.981 RESID 14 (D): CA 49.760 49.760 50.107 -0.347 RESID 14 (D): CB 40.580 40.580 41.986 -1.406 RESID 14 (D): H 8.200 8.200 8.618 -0.418 RESID 15 (P): C 175.400 175.400 176.505 -1.105 RESID 15 (P): CA 61.920 61.920 63.342 -1.422 RESID 15 (P): CB 27.890 27.890 32.348 -4.458 RESID 16 (T): N 116.200 116.200 110.706 5.494 RESID 16 (T): C 174.000 174.000 173.265 0.735 RESID 16 (T): CA 59.560 59.560 62.032 -2.473 RESID 16 (T): CB 68.650 68.650 69.840 -1.190 RESID 16 (T): H 8.739 8.739 8.265 0.474 RESID 17 (Y): N 125.800 125.800 121.869 3.931 RESID 17 (Y): C 175.200 175.200 175.640 -0.440 RESID 17 (Y): CA 54.180 54.180 56.134 -1.954 RESID 17 (Y): CB 38.700 38.700 38.502 0.198 RESID 17 (Y): H 8.943 8.943 8.047 0.896 RESID 18 (A): N 132.100 132.100 129.678 2.422 RESID 18 (A): C 176.000 176.000 176.464 -0.464 RESID 18 (A): CA 51.490 51.490 56.069 -4.579 RESID 18 (A): CB 16.070 16.070 16.263 -0.193 RESID 18 (A): H 8.945 8.945 8.924 0.021 RESID 19 (P): C 173.500 173.500 177.814 -4.314 RESID 19 (P): CA 62.890 62.890 65.230 -2.340 RESID 19 (P): CB 31.790 31.790 31.601 0.190 RESID 20 (F): N 125.100 125.100 117.304 7.796 RESID 20 (F): C 176.700 176.700 175.460 1.240 RESID 20 (F): CA 62.420 62.420 59.494 2.926 RESID 20 (F): CB 37.980 37.980 41.086 -3.106 RESID 20 (F): H 8.117 8.117 8.300 -0.183 RESID 21 (E): N 111.800 111.800 114.500 -2.700 RESID 21 (E): C 173.600 173.600 174.360 -0.760 RESID 21 (E): CA 54.400 54.400 55.497 -1.097 RESID 21 (E): CB 28.770 28.770 33.997 -5.227 RESID 21 (E): H 7.701 7.701 8.484 -0.783 RESID 22 (S): N 117.200 117.200 113.058 4.142 RESID 22 (S): C 171.500 171.500 172.278 -0.778 RESID 22 (S): CA 57.290 57.290 58.586 -1.296 RESID 22 (S): CB 62.940 62.940 64.129 -1.189 RESID 22 (S): H 8.750 8.750 8.295 0.455 RESID 23 (K): N 117.400 117.400 119.496 -2.096 RESID 23 (K): C 177.600 177.600 175.076 2.524 RESID 23 (K): CA 53.700 53.700 55.339 -1.639 RESID 23 (K): CB 33.330 33.330 35.167 -1.837 RESID 23 (K): H 8.238 8.238 8.246 -0.008 RESID 24 (N): N 122.400 122.400 121.043 1.357 RESID 24 (N): C 178.000 178.000 177.055 0.945 RESID 24 (N): CA 50.600 50.600 51.880 -1.280 RESID 24 (N): CB 38.140 38.140 40.111 -1.971 RESID 24 (N): H 8.584 8.584 8.595 -0.011 RESID 25 (S): C 175.400 175.400 175.408 -0.008 RESID 25 (S): CA 60.970 60.970 60.937 0.034 RESID 25 (S): CB 62.410 62.410 62.520 -0.110 RESID 26 (Q): N 119.300 119.300 119.473 -0.173 RESID 26 (Q): C 176.200 176.200 176.788 -0.588 RESID 26 (Q): CA 55.180 55.180 55.667 -0.487 RESID 26 (Q): CB 28.260 28.260 28.720 -0.460 RESID 26 (Q): H 7.520 7.520 8.351 -0.831 RESID 27 (G): N 108.800 108.800 107.660 1.140 RESID 27 (G): C 173.700 173.700 174.068 -0.368 RESID 27 (G): CA 45.050 45.050 45.075 -0.025 RESID 27 (G): H 8.169 8.169 7.846 0.323 RESID 28 (E): N 121.200 121.200 120.707 0.493 RESID 28 (E): C 175.800 175.800 175.669 0.131 RESID 28 (E): CA 54.490 54.490 55.989 -1.499 RESID 28 (E): CB 29.750 29.750 30.580 -0.830 RESID 28 (E): H 7.836 7.836 8.061 -0.225 RESID 29 (L): N 123.500 123.500 121.142 2.358 RESID 29 (L): C 176.400 176.400 175.364 1.036 RESID 29 (L): CA 54.310 54.310 53.795 0.515 RESID 29 (L): CB 41.180 41.180 42.921 -1.741 RESID 29 (L): H 8.281 8.281 8.243 0.038 RESID 30 (V): N 118.200 118.200 121.725 -3.525 RESID 30 (V): C 175.300 175.300 173.626 1.674 RESID 30 (V): CA 58.360 58.360 60.073 -1.713 RESID 30 (V): CB 36.080 36.080 36.194 -0.114 RESID 30 (V): H 8.900 8.900 7.656 1.244 RESID 31 (G): N 109.800 109.800 109.804 -0.004 RESID 31 (G): C 174.400 174.400 173.491 0.909 RESID 31 (G): CA 43.830 43.830 45.156 -1.326 RESID 31 (G): H 8.611 8.611 7.429 1.182 RESID 32 (F): N 119.900 119.900 122.529 -2.629 RESID 32 (F): C 177.900 177.900 175.879 2.021 RESID 32 (F): CA 59.800 59.800 60.715 -0.915 RESID 32 (F): CB 38.950 38.950 39.285 -0.335 RESID 32 (F): H 8.295 8.295 8.108 0.187 RESID 33 (D): N 116.500 116.500 119.007 -2.507 RESID 33 (D): C 179.100 179.100 178.130 0.970 RESID 33 (D): CA 56.180 56.180 56.273 -0.093 RESID 33 (D): CB 38.610 38.610 40.441 -1.831 RESID 33 (D): H 8.935 8.935 7.679 1.256 RESID 34 (I): N 118.800 118.800 119.880 -1.080 RESID 34 (I): C 178.000 178.000 177.982 0.018 RESID 34 (I): CA 60.950 60.950 64.302 -3.352 RESID 34 (I): CB 33.620 33.620 37.945 -4.325 RESID 34 (I): H 6.535 6.535 6.906 -0.371 RESID 35 (D): N 121.000 121.000 120.350 0.650 RESID 35 (D): C 180.300 180.300 178.726 1.574 RESID 35 (D): CA 57.100 57.100 57.454 -0.354 RESID 35 (D): CB 40.420 40.420 40.332 0.088 RESID 35 (D): H 8.536 8.536 7.812 0.724 RESID 36 (L): N 120.500 120.500 120.859 -0.359 RESID 36 (L): C 178.500 178.500 177.998 0.502 RESID 36 (L): CA 57.720 57.720 57.766 -0.046 RESID 36 (L): CB 42.230 42.230 41.593 0.637 RESID 36 (L): H 8.508 8.508 7.233 1.275 RESID 37 (A): N 120.200 120.200 121.610 -1.410 RESID 37 (A): C 178.600 178.600 179.582 -0.982 RESID 37 (A): CA 55.170 55.170 55.223 -0.053 RESID 37 (A): CB 17.340 17.340 18.463 -1.123 RESID 37 (A): H 8.383 8.383 7.665 0.719 RESID 38 (K): N 116.400 116.400 119.378 -2.978 RESID 38 (K): C 180.100 180.100 179.121 0.979 RESID 38 (K): CA 60.530 60.530 60.025 0.505 RESID 38 (K): CB 31.840 31.840 32.389 -0.549 RESID 38 (K): H 8.780 8.780 8.166 0.614 RESID 39 (E): N 121.500 121.500 119.457 2.043 RESID 39 (E): C 178.300 178.300 179.370 -1.070 RESID 39 (E): CA 58.430 58.430 59.316 -0.886 RESID 39 (E): CB 27.990 27.990 29.497 -1.507 RESID 39 (E): H 7.692 7.692 7.771 -0.079 RESID 40 (L): N 121.500 121.500 120.405 1.095 RESID 40 (L): C 178.700 178.700 178.792 -0.092 RESID 40 (L): CA 58.490 58.490 58.260 0.230 RESID 40 (L): CB 40.250 40.250 41.776 -1.526 RESID 40 (L): H 8.563 8.563 7.816 0.747 RESID 41 (C): N 115.700 115.700 118.419 -2.719 RESID 41 (C): C 175.800 175.800 177.457 -1.657 RESID 41 (C): CA 62.390 62.390 62.746 -0.356 RESID 41 (C): CB 46.860 46.860 25.459 21.401 RESID 41 (C): H 8.598 8.598 8.577 0.021 RESID 42 (K): N 119.300 119.300 119.642 -0.342 RESID 42 (K): C 180.800 180.800 179.109 1.691 RESID 42 (K): CA 58.810 58.810 59.440 -0.630 RESID 42 (K): CB 31.430 31.430 32.358 -0.928 RESID 42 (K): H 7.490 7.490 8.017 -0.527 RESID 43 (R): N 119.500 119.500 117.928 1.572 RESID 43 (R): C 178.700 178.700 178.665 0.035 RESID 43 (R): CA 58.760 58.760 58.441 0.319 RESID 43 (R): CB 29.980 29.980 30.224 -0.244 RESID 43 (R): H 8.057 8.057 7.615 0.442 RESID 44 (I): N 111.800 111.800 117.546 -5.746 RESID 44 (I): C 175.000 175.000 175.841 -0.841 RESID 44 (I): CA 60.940 60.940 63.074 -2.134 RESID 44 (I): CB 36.630 36.630 38.206 -1.577 RESID 44 (I): H 7.765 7.765 8.415 -0.650 RESID 45 (N): N 118.800 118.800 115.727 3.073 RESID 45 (N): C 173.600 173.600 173.948 -0.348 RESID 45 (N): CA 53.670 53.670 54.625 -0.955 RESID 45 (N): CB 36.620 36.620 35.925 0.695 RESID 45 (N): H 7.752 7.752 8.066 -0.314 RESID 46 (T): N 112.800 112.800 105.852 6.948 RESID 46 (T): C 173.100 173.100 172.840 0.260 RESID 46 (T): CA 60.020 60.020 60.265 -0.245 RESID 46 (T): CB 70.500 70.500 71.881 -1.381 RESID 46 (T): H 7.920 7.920 7.919 0.001 RESID 47 (Q): N 123.500 123.500 120.039 3.461 RESID 47 (Q): C 175.400 175.400 174.572 0.828 RESID 47 (Q): CA 54.550 54.550 55.117 -0.567 RESID 47 (Q): CB 28.670 28.670 30.435 -1.765 RESID 47 (Q): H 8.037 8.037 8.360 -0.323 RESID 48 (C): N 123.800 123.800 124.558 -0.758 RESID 48 (C): C 173.800 173.800 174.381 -0.581 RESID 48 (C): CA 53.170 53.170 57.904 -4.734 RESID 48 (C): CB 47.290 47.290 29.282 18.008 RESID 48 (C): H 8.881 8.881 8.696 0.185 RESID 49 (T): N 118.600 118.600 120.533 -1.933 RESID 49 (T): C 172.700 172.700 172.533 0.167 RESID 49 (T): CA 60.210 60.210 61.260 -1.050 RESID 49 (T): CB 70.980 70.980 71.104 -0.124 RESID 49 (T): H 8.324 8.324 8.897 -0.573 RESID 50 (F): N 123.800 123.800 125.903 -2.103 RESID 50 (F): C 175.800 175.800 175.949 -0.149 RESID 50 (F): CA 57.370 57.370 57.333 0.037 RESID 50 (F): CB 40.730 40.730 40.338 0.392 RESID 50 (F): H 8.982 8.982 8.636 0.346 RESID 51 (V): N 126.300 126.300 123.659 2.641 RESID 51 (V): C 174.700 174.700 174.707 -0.007 RESID 51 (V): CA 60.650 60.650 60.677 -0.027 RESID 51 (V): CB 33.700 33.700 35.408 -1.708 RESID 51 (V): H 9.271 9.271 9.146 0.125 RESID 52 (E): N 126.900 126.900 128.872 -1.972 RESID 52 (E): C 176.900 176.900 175.196 1.704 RESID 52 (E): CA 54.480 54.480 57.276 -2.796 RESID 52 (E): CB 29.350 29.350 30.390 -1.040 RESID 52 (E): H 8.617 8.617 8.776 -0.159 RESID 53 (N): N 127.100 127.100 120.604 6.496 RESID 53 (N): C 170.600 170.600 172.408 -1.808 RESID 53 (N): CA 51.220 51.220 51.542 -0.322 RESID 53 (N): CB 43.980 43.980 38.306 5.674 RESID 53 (N): H 8.917 8.917 8.223 0.694 RESID 54 (P): C 178.600 178.600 178.777 -0.177 RESID 54 (P): CA 61.650 61.650 62.329 -0.679 RESID 54 (P): CB 31.460 31.460 32.889 -1.429 RESID 55 (L): N 124.200 124.200 124.189 0.011 RESID 55 (L): C 179.600 179.600 178.723 0.877 RESID 55 (L): CA 58.130 58.130 59.257 -1.127 RESID 55 (L): CB 41.470 41.470 41.381 0.089 RESID 55 (L): H 9.096 9.096 8.785 0.311 RESID 56 (D): N 115.400 115.400 119.051 -3.651 RESID 56 (D): C 176.500 176.500 177.322 -0.822 RESID 56 (D): CA 56.080 56.080 56.870 -0.790 RESID 56 (D): CB 39.640 39.640 40.172 -0.532 RESID 56 (D): H 8.651 8.651 8.533 0.118 RESID 57 (A): N 120.400 120.400 119.895 0.505 RESID 57 (A): C 180.000 180.000 178.957 1.043 RESID 57 (A): CA 51.440 51.440 53.611 -2.171 RESID 57 (A): CB 19.170 19.170 19.654 -0.484 RESID 57 (A): H 8.079 8.079 8.321 -0.242 RESID 58 (L): N 122.300 122.300 121.075 1.225 RESID 58 (L): C 177.800 177.800 178.759 -0.959 RESID 58 (L): CA 58.960 58.960 58.060 0.900 RESID 58 (L): CB 40.150 40.150 41.868 -1.718 RESID 58 (L): H 7.783 7.783 8.143 -0.360 RESID 59 (I): N 119.600 119.600 119.570 0.030 RESID 59 (I): C 176.400 176.400 175.174 1.226 RESID 59 (I): CA 68.170 68.170 66.530 1.640 RESID 59 (I): CB 33.980 33.980 34.676 -0.696 RESID 59 (I): H 9.094 9.094 7.781 1.313 RESID 60 (P): C 180.100 180.100 179.224 0.876 RESID 60 (P): CA 65.890 65.890 66.509 -0.619 RESID 60 (P): CB 29.980 29.980 31.261 -1.281 RESID 61 (S): N 114.800 114.800 114.909 -0.109 RESID 61 (S): C 175.500 175.500 176.701 -1.201 RESID 61 (S): CA 62.170 62.170 61.785 0.385 RESID 61 (S): H 7.865 7.865 8.247 -0.382 RESID 62 (L): N 126.200 126.200 123.046 3.154 RESID 62 (L): C 181.000 181.000 178.976 2.024 RESID 62 (L): CA 57.400 57.400 57.715 -0.315 RESID 62 (L): CB 41.820 41.820 41.780 0.040 RESID 62 (L): H 8.296 8.296 8.191 0.105 RESID 63 (K): N 121.000 121.000 119.053 1.947 RESID 63 (K): C 178.000 178.000 177.924 0.076 RESID 63 (K): CA 59.500 59.500 59.170 0.330 RESID 63 (K): CB 30.770 30.770 32.471 -1.701 RESID 63 (K): H 8.461 8.461 7.749 0.712 RESID 64 (A): N 118.700 118.700 118.694 0.006 RESID 64 (A): C 176.200 176.200 176.677 -0.477 RESID 64 (A): CA 51.680 51.680 51.993 -0.313 RESID 64 (A): CB 18.140 18.140 18.569 -0.429 RESID 64 (A): H 7.686 7.686 7.970 -0.284 RESID 65 (K): N 112.200 112.200 113.951 -1.751 RESID 65 (K): C 176.000 176.000 176.517 -0.517 RESID 65 (K): CA 57.800 57.800 58.003 -0.203 RESID 65 (K): CB 27.730 27.730 29.920 -2.190 RESID 65 (K): H 7.751 7.751 7.675 0.076 RESID 66 (K): N 118.300 118.300 115.439 2.861 RESID 66 (K): C 176.600 176.600 177.105 -0.505 RESID 66 (K): CA 57.200 57.200 58.452 -1.252 RESID 66 (K): CB 32.170 32.170 33.013 -0.843 RESID 66 (K): H 8.415 8.415 7.774 0.641 RESID 67 (I): N 107.500 107.500 112.493 -4.993 RESID 67 (I): C 174.000 174.000 175.369 -1.369 RESID 67 (I): CA 59.050 59.050 59.032 0.018 RESID 67 (I): CB 40.470 40.470 41.052 -0.582 RESID 67 (I): H 7.034 7.034 7.239 -0.205 RESID 68 (D): N 119.000 119.000 121.994 -2.994 RESID 68 (D): C 172.200 172.200 175.760 -3.560 RESID 68 (D): CA 55.560 55.560 55.324 0.236 RESID 68 (D): CB 44.210 44.210 42.618 1.592 RESID 68 (D): H 9.739 9.739 8.449 1.290 RESID 69 (A): N 117.400 117.400 118.272 -0.872 RESID 69 (A): C 175.900 175.900 174.848 1.052 RESID 69 (A): CA 50.120 50.120 51.162 -1.042 RESID 69 (A): CB 21.960 21.960 22.171 -0.211 RESID 69 (A): H 7.660 7.660 7.692 -0.032 RESID 70 (I): N 120.500 120.500 120.798 -0.298 RESID 70 (I): C 174.500 174.500 174.305 0.195 RESID 70 (I): CA 60.060 60.060 60.677 -0.617 RESID 70 (I): CB 41.190 41.190 41.016 0.174 RESID 70 (I): H 9.402 9.402 8.042 1.360 RESID 71 (M): N 128.300 128.300 128.884 -0.584 RESID 71 (M): C 172.500 172.500 174.034 -1.534 RESID 71 (M): CA 53.040 53.040 55.062 -2.022 RESID 71 (M): CB 33.940 33.940 34.019 -0.079 RESID 71 (M): H 8.431 8.431 8.254 0.177 RESID 72 (S): N 122.700 122.700 121.078 1.622 RESID 72 (S): C 172.800 172.800 173.791 -0.991 RESID 72 (S): CA 57.630 57.630 56.743 0.887 RESID 72 (S): CB 64.590 64.590 65.175 -0.586 RESID 72 (S): H 8.717 8.717 8.630 0.087 RESID 73 (S): N 120.600 120.600 115.825 4.775 RESID 73 (S): C 174.900 174.900 174.768 0.132 RESID 73 (S): CA 58.590 58.590 59.568 -0.978 RESID 73 (S): CB 62.920 62.920 62.831 0.089 RESID 73 (S): H 8.570 8.570 8.638 -0.068 RESID 74 (L): N 120.700 120.700 123.792 -3.092 RESID 74 (L): C 175.300 175.300 176.063 -0.763 RESID 74 (L): CA 54.320 54.320 55.566 -1.246 RESID 74 (L): CB 42.350 42.350 42.814 -0.464 RESID 74 (L): H 8.678 8.678 7.477 1.201 RESID 75 (S): N 122.000 122.000 119.832 2.168 RESID 75 (S): C 174.500 174.500 173.685 0.815 RESID 75 (S): CA 59.250 59.250 56.879 2.371 RESID 75 (S): CB 63.060 63.060 64.769 -1.709 RESID 75 (S): H 8.142 8.142 7.875 0.267 RESID 76 (I): N 125.200 125.200 115.710 9.490 RESID 76 (I): C 175.500 175.500 174.544 0.956 RESID 76 (I): CA 61.340 61.340 59.611 1.729 RESID 76 (I): CB 35.790 35.790 39.644 -3.854 RESID 76 (I): H 8.307 8.307 8.237 0.070 RESID 77 (T): N 116.600 116.600 113.535 3.065 RESID 77 (T): C 174.800 174.800 175.073 -0.273 RESID 77 (T): CA 57.760 57.760 59.982 -2.222 RESID 77 (T): CB 71.570 71.570 72.305 -0.735 RESID 77 (T): H 6.513 6.513 7.529 -1.016 RESID 78 (E): N 124.500 124.500 124.917 -0.417 RESID 78 (E): C 179.500 179.500 177.893 1.607 RESID 78 (E): CA 59.140 59.140 60.859 -1.719 RESID 78 (E): CB 28.630 28.630 29.273 -0.643 RESID 78 (E): H 8.935 8.935 8.910 0.025 RESID 79 (K): N 118.400 118.400 118.307 0.093 RESID 79 (K): C 180.600 180.600 179.036 1.564 RESID 79 (K): CA 58.890 58.890 59.182 -0.292 RESID 79 (K): CB 31.610 31.610 32.300 -0.690 RESID 79 (K): H 8.415 8.415 8.367 0.048 RESID 80 (R): N 118.500 118.500 118.843 -0.343 RESID 80 (R): C 179.100 179.100 178.955 0.145 RESID 80 (R): CA 59.580 59.580 59.212 0.368 RESID 80 (R): CB 30.380 30.380 30.069 0.311 RESID 80 (R): H 7.678 7.678 7.401 0.277 RESID 81 (Q): N 119.000 119.000 119.772 -0.772 RESID 81 (Q): C 176.600 176.600 178.827 -2.227 RESID 81 (Q): CA 57.510 57.510 59.136 -1.626 RESID 81 (Q): CB 28.880 28.880 28.550 0.330 RESID 81 (Q): H 8.418 8.418 8.319 0.099 RESID 82 (Q): N 115.300 115.300 117.221 -1.921 RESID 82 (Q): C 177.400 177.400 177.690 -0.290 RESID 82 (Q): CA 57.280 57.280 58.376 -1.096 RESID 82 (Q): CB 27.950 27.950 28.477 -0.527 RESID 82 (Q): H 7.297 7.297 7.903 -0.606 RESID 83 (E): N 115.600 115.600 117.167 -1.567 RESID 83 (E): C 176.400 176.400 177.255 -0.855 RESID 83 (E): CA 56.950 56.950 58.230 -1.280 RESID 83 (E): CB 33.090 33.090 31.418 1.672 RESID 83 (E): H 7.627 7.627 7.880 -0.253 RESID 84 (I): N 115.100 115.100 111.867 3.233 RESID 84 (I): C 172.600 172.600 173.938 -1.338 RESID 84 (I): CA 59.380 59.380 58.900 0.480 RESID 84 (I): CB 40.830 40.830 41.516 -0.686 RESID 84 (I): H 8.275 8.275 7.971 0.304 RESID 85 (A): N 120.600 120.600 120.382 0.218 RESID 85 (A): C 175.000 175.000 175.263 -0.263 RESID 85 (A): CA 49.150 49.150 50.273 -1.123 RESID 85 (A): CB 22.280 22.280 21.421 0.859 RESID 85 (A): H 8.679 8.679 8.421 0.258 RESID 86 (F): N 115.500 115.500 119.119 -3.619 RESID 86 (F): C 178.800 178.800 175.822 2.978 RESID 86 (F): CA 55.850 55.850 56.908 -1.058 RESID 86 (F): CB 44.300 44.300 44.039 0.261 RESID 86 (F): H 8.283 8.283 8.617 -0.334 RESID 87 (T): N 108.200 108.200 114.979 -6.779 RESID 87 (T): C 174.700 174.700 173.800 0.900 RESID 87 (T): CA 61.930 61.930 61.159 0.771 RESID 87 (T): CB 72.740 72.740 70.079 2.661 RESID 87 (T): H 7.898 7.898 8.393 -0.495 RESID 88 (D): N 118.400 118.400 120.421 -2.021 RESID 88 (D): C 174.300 174.300 175.627 -1.327 RESID 88 (D): CA 55.030 55.030 55.778 -0.748 RESID 88 (D): CB 40.870 40.870 39.808 1.062 RESID 88 (D): H 8.789 8.789 8.802 -0.013 RESID 89 (K): N 118.100 118.100 116.610 1.490 RESID 89 (K): C 176.200 176.200 176.689 -0.489 RESID 89 (K): CA 55.570 55.570 57.268 -1.698 RESID 89 (K): CB 31.850 31.850 31.526 0.324 RESID 89 (K): H 7.666 7.666 7.687 -0.021 RESID 90 (L): N 123.400 123.400 124.536 -1.136 RESID 90 (L): C 178.000 178.000 177.551 0.449 RESID 90 (L): CA 54.450 54.450 57.385 -2.935 RESID 90 (L): CB 41.710 41.710 43.354 -1.644 RESID 90 (L): H 8.778 8.778 8.709 0.069 RESID 91 (Y): N 110.500 110.500 111.221 -0.721 RESID 91 (Y): C 172.600 172.600 173.352 -0.752 RESID 91 (Y): CA 56.070 56.070 56.031 0.039 RESID 91 (Y): CB 37.670 37.670 40.303 -2.633 RESID 91 (Y): H 6.810 6.810 7.162 -0.352 RESID 92 (A): N 123.100 123.100 122.488 0.612 RESID 92 (A): C 175.600 175.600 176.770 -1.170 RESID 92 (A): CA 51.940 51.940 51.081 0.859 RESID 92 (A): CB 20.320 20.320 19.616 0.704 RESID 92 (A): H 8.135 8.135 9.099 -0.964 RESID 93 (A): N 127.000 127.000 127.768 -0.768 RESID 93 (A): C 175.700 175.700 176.653 -0.953 RESID 93 (A): CA 51.020 51.020 50.640 0.380 RESID 93 (A): CB 18.310 18.310 18.384 -0.074 RESID 93 (A): H 8.658 8.658 8.372 0.286 RESID 94 (D): N 122.900 122.900 121.580 1.320 RESID 94 (D): C 175.300 175.300 176.123 -0.823 RESID 94 (D): CA 53.910 53.910 55.166 -1.256 RESID 94 (D): CB 42.030 42.030 42.234 -0.204 RESID 94 (D): H 8.497 8.497 7.737 0.760 RESID 95 (S): N 110.300 110.300 112.162 -1.862 RESID 95 (S): C 171.600 171.600 173.059 -1.459 RESID 95 (S): CA 57.850 57.850 57.391 0.459 RESID 95 (S): CB 66.410 66.410 66.500 -0.090 RESID 95 (S): H 6.844 6.844 7.873 -1.029 RESID 96 (R): N 124.300 124.300 119.740 4.560 RESID 96 (R): C 173.700 173.700 173.847 -0.147 RESID 96 (R): CA 57.450 57.450 55.866 1.584 RESID 96 (R): CB 34.070 34.070 34.357 -0.287 RESID 96 (R): H 9.227 9.227 8.817 0.410 RESID 97 (L): N 124.100 124.100 125.014 -0.914 RESID 97 (L): C 177.600 177.600 175.911 1.689 RESID 97 (L): CA 54.150 54.150 53.828 0.322 RESID 97 (L): CB 42.640 42.640 44.388 -1.748 RESID 97 (L): H 9.343 9.343 8.044 1.299 RESID 98 (V): N 124.500 124.500 123.303 1.197 RESID 98 (V): C 175.700 175.700 175.041 0.659 RESID 98 (V): CA 61.770 61.770 60.874 0.896 RESID 98 (V): CB 32.950 32.950 32.387 0.563 RESID 98 (V): H 9.500 9.500 7.994 1.506 RESID 99 (V): N 116.800 116.800 120.683 -3.883 RESID 99 (V): C 174.600 174.600 173.971 0.629 RESID 99 (V): CA 58.190 58.190 58.770 -0.580 RESID 99 (V): CB 36.780 36.780 35.779 1.001 RESID 99 (V): H 9.192 9.192 8.121 1.071 RESID 100 (A): N 123.400 123.400 122.470 0.930 RESID 100 (A): C 179.200 179.200 178.363 0.837 RESID 100 (A): CA 52.690 52.690 50.624 2.066 RESID 100 (A): CB 18.160 18.160 20.134 -1.974 RESID 100 (A): H 9.043 9.043 8.422 0.621 RESID 101 (K): N 119.600 119.600 123.626 -4.026 RESID 101 (K): C 176.800 176.800 177.007 -0.207 RESID 101 (K): CA 59.360 59.360 58.974 0.386 RESID 101 (K): CB 31.380 31.380 31.865 -0.485 RESID 101 (K): H 7.840 7.840 8.913 -1.073 RESID 102 (N): N 114.400 114.400 115.566 -1.166 RESID 102 (N): C 175.500 175.500 175.249 0.251 RESID 102 (N): CA 52.330 52.330 54.639 -2.308 RESID 102 (N): CB 36.990 36.990 38.607 -1.617 RESID 102 (N): H 7.941 7.941 8.175 -0.234 RESID 103 (S): N 114.800 114.800 114.658 0.142 RESID 103 (S): C 176.000 176.000 173.264 2.736 RESID 103 (S): CA 58.180 58.180 57.483 0.697 RESID 103 (S): CB 64.310 64.310 63.915 0.395 RESID 103 (S): H 7.700 7.700 7.619 0.081 RESID 104 (D): N 128.500 128.500 129.321 -0.821 RESID 104 (D): C 176.700 176.700 174.985 1.715 RESID 104 (D): CA 52.990 52.990 53.973 -0.983 RESID 104 (D): CB 40.330 40.330 40.911 -0.581 RESID 104 (D): H 8.548 8.548 8.545 0.003 RESID 105 (I): N 122.800 122.800 123.956 -1.156 RESID 105 (I): C 173.800 173.800 174.503 -0.703 RESID 105 (I): CA 63.580 63.580 60.378 3.202 RESID 105 (I): CB 37.490 37.490 40.481 -2.991 RESID 105 (I): H 7.826 7.826 8.140 -0.314 RESID 106 (Q): N 124.600 124.600 125.160 -0.560 RESID 106 (Q): C 174.700 174.700 174.017 0.683 RESID 106 (Q): CA 51.380 51.380 52.023 -0.643 RESID 106 (Q): CB 31.050 31.050 29.062 1.988 RESID 106 (Q): H 8.174 8.174 8.350 -0.176 RESID 107 (P): C 175.300 175.300 175.777 -0.477 RESID 107 (P): CA 61.880 61.880 63.672 -1.792 RESID 107 (P): CB 26.860 26.860 30.755 -3.895 RESID 108 (T): N 114.600 114.600 117.657 -3.057 RESID 108 (T): C 174.000 174.000 174.394 -0.394 RESID 108 (T): CA 57.690 57.690 61.589 -3.899 RESID 108 (T): CB 71.020 71.020 72.077 -1.057 RESID 108 (T): H 8.531 8.531 7.732 0.799 RESID 109 (V): N 121.800 121.800 123.570 -1.770 RESID 109 (V): C 177.300 177.300 176.927 0.373 RESID 109 (V): CA 65.600 65.600 64.781 0.819 RESID 109 (V): CB 30.580 30.580 32.767 -2.187 RESID 109 (V): H 8.775 8.775 8.491 0.284 RESID 110 (E): N 116.900 116.900 120.821 -3.921 RESID 110 (E): C 178.400 178.400 178.652 -0.252 RESID 110 (E): CA 59.260 59.260 60.144 -0.884 RESID 110 (E): CB 28.170 28.170 29.044 -0.874 RESID 110 (E): H 8.414 8.414 8.389 0.025 RESID 111 (S): N 113.200 113.200 113.421 -0.221 RESID 111 (S): C 176.500 176.500 175.925 0.575 RESID 111 (S): CA 59.370 59.370 60.982 -1.612 RESID 111 (S): CB 63.730 63.730 62.528 1.202 RESID 111 (S): H 7.387 7.387 8.430 -1.043 RESID 112 (L): N 116.100 116.100 120.412 -4.312 RESID 112 (L): C 176.700 176.700 176.710 -0.010 RESID 112 (L): CA 54.580 54.580 55.416 -0.836 RESID 112 (L): CB 42.650 42.650 42.556 0.094 RESID 112 (L): H 7.676 7.676 7.323 0.353 RESID 113 (K): N 121.000 121.000 119.187 1.813 RESID 113 (K): C 178.200 178.200 177.492 0.708 RESID 113 (K): CA 58.850 58.850 58.227 0.622 RESID 113 (K): CB 30.850 30.850 32.245 -1.395 RESID 113 (K): H 7.445 7.445 7.728 -0.283 RESID 114 (G): N 113.900 113.900 112.939 0.961 RESID 114 (G): C 174.200 174.200 174.792 -0.592 RESID 114 (G): CA 45.240 45.240 45.353 -0.113 RESID 114 (G): H 8.454 8.454 8.354 0.100 RESID 115 (K): N 120.600 120.600 121.694 -1.094 RESID 115 (K): C 174.800 174.800 176.100 -1.300 RESID 115 (K): CA 53.710 53.710 54.724 -1.014 RESID 115 (K): CB 31.990 31.990 33.314 -1.324 RESID 115 (K): H 8.530 8.530 7.881 0.649 RESID 116 (R): N 119.300 119.300 120.753 -1.453 RESID 116 (R): C 176.000 176.000 175.430 0.570 RESID 116 (R): CA 54.720 54.720 55.700 -0.980 RESID 116 (R): CB 32.310 32.310 31.859 0.451 RESID 116 (R): H 9.455 9.455 8.471 0.984 RESID 117 (V): N 126.100 126.100 123.155 2.945 RESID 117 (V): C 175.300 175.300 174.948 0.352 RESID 117 (V): CA 60.090 60.090 60.217 -0.127 RESID 117 (V): CB 33.620 33.620 35.570 -1.950 RESID 117 (V): H 9.217 9.217 8.648 0.569 RESID 118 (G): N 114.000 114.000 113.620 0.380 RESID 118 (G): C 172.300 172.300 172.514 -0.214 RESID 118 (G): CA 45.010 45.010 43.611 1.399 RESID 118 (G): H 9.367 9.367 8.052 1.315 RESID 119 (V): N 116.400 116.400 122.304 -5.904 RESID 119 (V): C 174.100 174.100 174.035 0.065 RESID 119 (V): CA 58.270 58.270 60.448 -2.178 RESID 119 (V): CB 36.370 36.370 37.026 -0.657 RESID 119 (V): H 9.166 9.166 9.386 -0.220 RESID 120 (L): N 124.400 124.400 124.130 0.270 RESID 120 (L): C 176.900 176.900 175.667 1.233 RESID 120 (L): CA 53.690 53.690 53.948 -0.258 RESID 120 (L): CB 41.240 41.240 42.693 -1.453 RESID 120 (L): H 8.961 8.961 8.825 0.136 RESID 121 (Q): N 128.000 128.000 127.172 0.828 RESID 121 (Q): C 176.900 176.900 177.255 -0.355 RESID 121 (Q): CA 56.680 56.680 57.082 -0.402 RESID 121 (Q): CB 27.920 27.920 29.526 -1.607 RESID 121 (Q): H 9.305 9.305 8.986 0.319 RESID 122 (G): N 113.600 113.600 113.642 -0.042 RESID 122 (G): C 175.100 175.100 173.553 1.547 RESID 122 (G): CA 45.240 45.240 45.469 -0.229 RESID 122 (G): H 9.383 9.383 8.788 0.595 RESID 123 (T): N 108.400 108.400 110.076 -1.676 RESID 123 (T): C 176.800 176.800 174.418 2.382 RESID 123 (T): CA 60.260 60.260 59.998 0.262 RESID 123 (T): CB 73.530 73.530 70.645 2.885 RESID 123 (T): H 7.220 7.220 7.736 -0.516 RESID 124 (T): N 113.900 113.900 112.492 1.408 RESID 124 (T): C 178.100 178.100 176.529 1.571 RESID 124 (T): CA 63.990 63.990 64.655 -0.665 RESID 124 (T): CB 67.740 67.740 68.726 -0.986 RESID 124 (T): H 8.934 8.934 8.658 0.276 RESID 125 (Q): N 120.600 120.600 122.428 -1.828 RESID 125 (Q): C 178.300 178.300 178.082 0.218 RESID 125 (Q): CA 61.670 61.670 59.770 1.900 RESID 125 (Q): CB 25.310 25.310 28.052 -2.742 RESID 125 (Q): H 7.521 7.521 8.270 -0.749 RESID 126 (E): N 121.900 121.900 119.788 2.112 RESID 126 (E): C 177.600 177.600 178.898 -1.298 RESID 126 (E): CA 59.630 59.630 59.841 -0.211 RESID 126 (E): CB 28.730 28.730 29.647 -0.917 RESID 126 (E): H 7.717 7.717 7.818 -0.101 RESID 127 (T): N 117.800 117.800 116.224 1.576 RESID 127 (T): C 176.200 176.200 176.369 -0.169 RESID 127 (T): CA 66.340 66.340 66.837 -0.497 RESID 127 (T): CB 67.590 67.590 68.729 -1.139 RESID 127 (T): H 8.175 8.175 7.618 0.557 RESID 128 (F): N 121.900 121.900 121.978 -0.078 RESID 128 (F): C 178.000 178.000 177.529 0.471 RESID 128 (F): CA 61.590 61.590 60.738 0.852 RESID 128 (F): CB 38.810 38.810 38.931 -0.120 RESID 128 (F): H 8.882 8.882 8.594 0.288 RESID 129 (G): N 107.000 107.000 107.120 -0.120 RESID 129 (G): C 176.100 176.100 176.490 -0.390 RESID 129 (G): CA 46.690 46.690 47.204 -0.514 RESID 129 (G): H 8.900 8.900 9.166 -0.266 RESID 130 (N): N 123.000 123.000 118.462 4.538 RESID 130 (N): C 176.200 176.200 175.835 0.365 RESID 130 (N): CA 55.400 55.400 55.352 0.048 RESID 130 (N): CB 37.570 37.570 38.202 -0.632 RESID 130 (N): H 8.915 8.915 8.587 0.328 RESID 131 (E): N 119.000 119.000 116.718 2.282 RESID 131 (E): C 177.900 177.900 177.099 0.801 RESID 131 (E): CA 57.940 57.940 56.705 1.235 RESID 131 (E): CB 29.350 29.350 30.765 -1.415 RESID 131 (E): H 7.907 7.907 7.478 0.429 RESID 132 (H): N 112.600 112.600 118.649 -6.049 RESID 132 (H): C 175.900 175.900 175.553 0.347 RESID 132 (H): CA 56.910 56.910 58.800 -1.889 RESID 132 (H): CB 30.510 30.510 29.805 0.705 RESID 132 (H): H 7.877 7.877 7.885 -0.008 RESID 133 (W): N 119.300 119.300 117.447 1.853 RESID 133 (W): C 176.800 176.800 176.195 0.605 RESID 133 (W): CA 55.570 55.570 56.553 -0.983 RESID 133 (W): CB 30.400 30.400 29.727 0.673 RESID 133 (W): H 7.653 7.653 7.499 0.154 RESID 134 (A): N 125.400 125.400 124.648 0.752 RESID 134 (A): C 177.700 177.700 177.223 0.477 RESID 134 (A): CA 55.410 55.410 54.636 0.774 RESID 134 (A): CB 15.990 15.990 16.805 -0.815 RESID 134 (A): H 8.711 8.711 7.535 1.176 RESID 135 (P): C 177.200 177.200 177.438 -0.238 RESID 135 (P): CA 64.510 64.510 64.200 0.311 RESID 135 (P): CB 30.800 30.800 30.977 -0.177 RESID 136 (K): N 115.800 115.800 116.271 -0.471 RESID 136 (K): C 176.500 176.500 177.626 -1.126 RESID 136 (K): CA 53.530 53.530 55.911 -2.381 RESID 136 (K): CB 31.430 31.430 32.029 -0.599 RESID 136 (K): H 7.665 7.665 8.153 -0.488 RESID 137 (G): N 106.100 106.100 108.368 -2.268 RESID 137 (G): C 174.300 174.300 173.530 0.770 RESID 137 (G): CA 45.740 45.740 45.374 0.366 RESID 137 (G): H 7.864 7.864 7.667 0.197 RESID 138 (I): N 124.400 124.400 119.365 5.035 RESID 138 (I): C 174.400 174.400 174.789 -0.389 RESID 138 (I): CA 60.460 60.460 60.108 0.352 RESID 138 (I): CB 38.080 38.080 39.854 -1.774 RESID 138 (I): H 6.889 6.889 7.479 -0.590 RESID 139 (E): N 128.400 128.400 127.237 1.163 RESID 139 (E): C 173.900 173.900 175.100 -1.200 RESID 139 (E): CA 56.050 56.050 55.605 0.445 RESID 139 (E): CB 29.490 29.490 31.224 -1.734 RESID 139 (E): H 8.230 8.230 8.334 -0.104 RESID 140 (I): N 129.500 129.500 121.671 7.829 RESID 140 (I): C 176.100 176.100 174.782 1.318 RESID 140 (I): CA 57.100 57.100 59.036 -1.936 RESID 140 (I): CB 34.440 34.440 40.629 -6.189 RESID 140 (I): H 8.642 8.642 8.366 0.276 RESID 141 (V): N 133.000 133.000 125.178 7.822 RESID 141 (V): C 174.400 174.400 174.609 -0.209 RESID 141 (V): CA 61.060 61.060 61.197 -0.137 RESID 141 (V): CB 32.410 32.410 36.327 -3.917 RESID 141 (V): H 9.387 9.387 9.028 0.359 RESID 142 (S): N 122.900 122.900 120.135 2.765 RESID 142 (S): C 175.000 175.000 173.633 1.367 RESID 142 (S): CA 57.710 57.710 57.505 0.205 RESID 142 (S): CB 63.710 63.710 63.754 -0.044 RESID 142 (S): H 8.490 8.490 8.451 0.039 RESID 143 (Y): N 123.400 123.400 126.144 -2.744 RESID 143 (Y): C 175.900 175.900 176.451 -0.551 RESID 143 (Y): CA 57.300 57.300 57.822 -0.522 RESID 143 (Y): CB 42.300 42.300 41.184 1.116 RESID 143 (Y): H 8.979 8.979 9.415 -0.436 RESID 144 (Q): N 119.500 119.500 120.473 -0.973 RESID 144 (Q): C 176.000 176.000 174.920 1.080 RESID 144 (Q): CA 56.490 56.490 55.984 0.506 RESID 144 (Q): CB 28.470 28.470 29.806 -1.336 RESID 144 (Q): H 8.974 8.974 8.723 0.251 RESID 145 (G): N 106.800 106.800 107.222 -0.422 RESID 145 (G): C 173.500 173.500 174.159 -0.659 RESID 145 (G): CA 44.300 44.300 44.349 -0.049 RESID 145 (G): H 7.531 7.531 7.856 -0.325 RESID 146 (Q): N 124.300 124.300 122.718 1.582 RESID 146 (Q): C 177.200 177.200 177.342 -0.142 RESID 146 (Q): CA 57.800 57.800 58.802 -1.002 RESID 146 (Q): CB 28.190 28.190 28.613 -0.423 RESID 146 (Q): H 8.949 8.949 8.857 0.092 RESID 147 (D): N 117.900 117.900 118.462 -0.562 RESID 147 (D): C 178.900 178.900 178.503 0.397 RESID 147 (D): CA 56.650 56.650 56.922 -0.272 RESID 147 (D): CB 38.890 38.890 39.729 -0.839 RESID 147 (D): H 8.746 8.746 8.789 -0.043 RESID 148 (N): N 117.500 117.500 117.843 -0.343 RESID 148 (N): C 176.700 176.700 177.329 -0.629 RESID 148 (N): CA 55.160 55.160 55.824 -0.664 RESID 148 (N): CB 38.700 38.700 38.207 0.493 RESID 148 (N): H 7.496 7.496 8.558 -1.062 RESID 149 (I): N 120.000 120.000 119.697 0.303 RESID 149 (I): C 177.400 177.400 177.554 -0.154 RESID 149 (I): CA 64.450 64.450 64.903 -0.453 RESID 149 (I): CB 35.900 35.900 37.550 -1.650 RESID 149 (I): H 6.793 6.793 7.086 -0.293 RESID 150 (Y): N 117.400 117.400 118.057 -0.657 RESID 150 (Y): C 178.800 178.800 178.151 0.649 RESID 150 (Y): CA 59.730 59.730 61.606 -1.876 RESID 150 (Y): CB 35.970 35.970 37.695 -1.725 RESID 150 (Y): H 6.897 6.897 7.397 -0.500 RESID 151 (S): N 117.000 117.000 115.063 1.937 RESID 151 (S): C 177.000 177.000 177.080 -0.080 RESID 151 (S): CA 61.300 61.300 61.922 -0.622 RESID 151 (S): CB 62.100 62.100 62.464 -0.364 RESID 151 (S): H 8.186 8.186 8.261 -0.075 RESID 152 (D): N 122.300 122.300 123.376 -1.076 RESID 152 (D): C 179.000 179.000 178.336 0.664 RESID 152 (D): CA 56.580 56.580 56.865 -0.285 RESID 152 (D): CB 38.240 38.240 40.401 -2.161 RESID 152 (D): H 7.541 7.541 7.723 -0.182 RESID 153 (L): N 124.100 124.100 121.260 2.840 RESID 153 (L): C 180.300 180.300 178.495 1.805 RESID 153 (L): CA 58.160 58.160 57.541 0.619 RESID 153 (L): CB 41.630 41.630 41.812 -0.182 RESID 153 (L): H 8.372 8.372 7.778 0.594 RESID 154 (T): N 111.900 111.900 113.297 -1.397 RESID 154 (T): C 176.700 176.700 175.381 1.319 RESID 154 (T): CA 63.920 63.920 65.418 -1.498 RESID 154 (T): CB 68.700 68.700 69.003 -0.303 RESID 154 (T): H 8.389 8.389 8.321 0.068 RESID 155 (A): N 121.800 121.800 120.177 1.623 RESID 155 (A): C 178.200 178.200 178.048 0.152 RESID 155 (A): CA 51.640 51.640 52.320 -0.680 RESID 155 (A): CB 18.990 18.990 19.446 -0.456 RESID 155 (A): H 7.444 7.444 7.080 0.364 RESID 156 (G): N 107.800 107.800 107.181 0.619 RESID 156 (G): C 175.100 175.100 175.361 -0.261 RESID 156 (G): CA 45.420 45.420 45.195 0.225 RESID 156 (G): H 7.921 7.921 7.932 -0.011 RESID 157 (R): N 119.000 119.000 119.135 -0.135 RESID 157 (R): C 176.600 176.600 175.713 0.887 RESID 157 (R): CA 57.260 57.260 57.581 -0.321 RESID 157 (R): CB 30.400 30.400 30.773 -0.373 RESID 157 (R): H 8.443 8.443 8.114 0.329 RESID 158 (I): N 108.900 108.900 112.882 -3.982 RESID 158 (I): C 173.700 173.700 174.290 -0.590 RESID 158 (I): CA 59.900 59.900 59.216 0.684 RESID 158 (I): CB 40.070 40.070 41.005 -0.935 RESID 158 (I): H 7.109 7.109 7.123 -0.014 RESID 159 (D): N 119.100 119.100 123.853 -4.753 RESID 159 (D): C 174.700 174.700 175.636 -0.936 RESID 159 (D): CA 55.900 55.900 56.315 -0.414 RESID 159 (D): CB 43.630 43.630 41.707 1.923 RESID 159 (D): H 8.737 8.737 8.536 0.201 RESID 160 (A): N 116.400 116.400 116.461 -0.061 RESID 160 (A): C 174.900 174.900 174.310 0.590 RESID 160 (A): CA 50.190 50.190 51.483 -1.293 RESID 160 (A): CB 23.030 23.030 21.352 1.678 RESID 160 (A): H 7.702 7.702 7.155 0.547 RESID 161 (A): N 123.400 123.400 121.823 1.577 RESID 161 (A): C 175.500 175.500 175.670 -0.170 RESID 161 (A): CA 49.730 49.730 50.262 -0.532 RESID 161 (A): CB 21.110 21.110 21.573 -0.463 RESID 161 (A): H 8.915 8.915 7.986 0.929 RESID 162 (F): N 125.100 125.100 122.585 2.515 RESID 162 (F): C 172.900 172.900 175.000 -2.100 RESID 162 (F): CA 54.500 54.500 58.230 -3.730 RESID 162 (F): CB 39.400 39.400 38.793 0.607 RESID 162 (F): H 8.971 8.971 8.429 0.542 RESID 163 (Q): N 124.600 124.600 123.352 1.248 RESID 163 (Q): C 173.400 173.400 173.692 -0.292 RESID 163 (Q): CA 53.550 53.550 53.628 -0.078 RESID 163 (Q): CB 34.390 34.390 33.131 1.259 RESID 163 (Q): H 7.904 7.904 8.270 -0.366 RESID 164 (D): N 122.300 122.300 121.220 1.080 RESID 164 (D): C 175.800 175.800 177.231 -1.431 RESID 164 (D): CA 55.540 55.540 54.454 1.086 RESID 164 (D): CB 42.370 42.370 42.040 0.330 RESID 164 (D): H 8.304 8.304 8.431 -0.127 RESID 165 (E): N 128.600 128.600 122.814 5.786 RESID 165 (E): C 177.700 177.700 178.098 -0.398 RESID 165 (E): CA 60.230 60.230 60.112 0.118 RESID 165 (E): CB 30.020 30.020 29.817 0.203 RESID 165 (E): H 8.605 8.605 8.748 -0.143 RESID 166 (V): N 120.100 120.100 118.828 1.272 RESID 166 (V): C 178.300 178.300 177.268 1.032 RESID 166 (V): CA 66.800 66.800 66.677 0.124 RESID 166 (V): CB 30.070 30.070 30.234 -0.164 RESID 166 (V): H 8.748 8.748 8.157 0.591 RESID 167 (A): N 123.200 123.200 120.037 3.163 RESID 167 (A): C 182.500 182.500 179.082 3.418 RESID 167 (A): CA 54.980 54.980 54.697 0.283 RESID 167 (A): CB 17.910 17.910 18.020 -0.110 RESID 167 (A): H 8.655 8.655 7.898 0.757 RESID 168 (A): N 121.300 121.300 122.175 -0.875 RESID 168 (A): C 179.800 179.800 179.727 0.073 RESID 168 (A): CA 54.180 54.180 54.543 -0.363 RESID 168 (A): CB 18.750 18.750 18.409 0.341 RESID 168 (A): H 8.349 8.349 7.872 0.477 RESID 169 (S): N 113.400 113.400 114.432 -1.032 RESID 169 (S): C 175.700 175.700 176.196 -0.496 RESID 169 (S): CA 61.050 61.050 62.548 -1.498 RESID 169 (S): CB 63.050 63.050 62.660 0.390 RESID 169 (S): H 8.058 8.058 8.112 -0.054 RESID 170 (E): N 115.600 115.600 119.746 -4.146 RESID 170 (E): C 178.800 178.800 177.379 1.421 RESID 170 (E): CA 57.610 57.610 57.857 -0.247 RESID 170 (E): CB 29.790 29.790 29.042 0.748 RESID 170 (E): H 8.824 8.824 7.826 0.998 RESID 171 (G): N 103.400 103.400 104.993 -1.593 RESID 171 (G): C 173.700 173.700 174.858 -1.158 RESID 171 (G): CA 44.970 44.970 45.207 -0.237 RESID 171 (G): H 8.154 8.154 7.380 0.774 RESID 172 (F): N 120.100 120.100 122.501 -2.401 RESID 172 (F): C 175.200 175.200 177.683 -2.483 RESID 172 (F): CA 60.690 60.690 61.145 -0.455 RESID 172 (F): CB 40.740 40.740 39.089 1.651 RESID 172 (F): H 7.297 7.297 8.342 -1.045 RESID 173 (L): N 117.800 117.800 117.736 0.064 RESID 173 (L): C 179.000 179.000 178.292 0.708 RESID 173 (L): CA 57.670 57.670 56.865 0.805 RESID 173 (L): CB 40.020 40.020 41.831 -1.811 RESID 173 (L): H 8.470 8.470 7.523 0.947 RESID 174 (K): N 114.600 114.600 116.448 -1.848 RESID 174 (K): C 176.900 176.900 176.355 0.545 RESID 174 (K): CA 56.450 56.450 57.279 -0.829 RESID 174 (K): CB 31.770 31.770 32.657 -0.887 RESID 174 (K): H 8.018 8.018 7.560 0.458 RESID 175 (Q): N 118.800 118.800 117.078 1.722 RESID 175 (Q): C 176.000 176.000 173.945 2.055 RESID 175 (Q): CA 52.510 52.510 52.218 0.292 RESID 175 (Q): CB 26.740 26.740 29.791 -3.051 RESID 175 (Q): H 7.151 7.151 7.279 -0.128 RESID 176 (P): C 179.300 179.300 177.589 1.711 RESID 176 (P): CA 66.100 66.100 65.412 0.688 RESID 176 (P): CB 30.720 30.720 31.645 -0.925 RESID 177 (V): N 112.300 112.300 117.481 -5.181 RESID 177 (V): C 175.900 175.900 177.813 -1.913 RESID 177 (V): CA 62.860 62.860 65.764 -2.904 RESID 177 (V): CB 30.660 30.660 31.002 -0.341 RESID 177 (V): H 7.480 7.480 7.673 -0.193 RESID 178 (G): N 109.700 109.700 105.548 4.152 RESID 178 (G): C 175.000 175.000 174.867 0.133 RESID 178 (G): CA 44.080 44.080 46.162 -2.082 RESID 178 (G): H 7.173 7.173 7.833 -0.660 RESID 179 (K): N 120.900 120.900 119.048 1.852 RESID 179 (K): C 177.100 177.100 177.702 -0.602 RESID 179 (K): CA 58.360 58.360 58.462 -0.102 RESID 179 (K): CB 31.260 31.260 32.269 -1.009 RESID 179 (K): H 6.972 6.972 7.410 -0.438 RESID 180 (D): N 117.200 117.200 117.380 -0.180 RESID 180 (D): C 173.900 173.900 175.884 -1.984 RESID 180 (D): CA 53.920 53.920 55.864 -1.944 RESID 180 (D): CB 39.690 39.690 41.454 -1.764 RESID 180 (D): H 8.036 8.036 7.452 0.584 RESID 181 (Y): N 120.500 120.500 115.047 5.453 RESID 181 (Y): C 172.300 172.300 173.483 -1.183 RESID 181 (Y): CA 57.890 57.890 57.737 0.153 RESID 181 (Y): CB 41.860 41.860 42.361 -0.501 RESID 181 (Y): H 7.768 7.768 7.448 0.320 RESID 182 (K): N 116.900 116.900 118.691 -1.791 RESID 182 (K): C 174.900 174.900 174.265 0.635 RESID 182 (K): CA 54.330 54.330 56.453 -2.123 RESID 182 (K): CB 35.610 35.610 33.360 2.250 RESID 182 (K): H 9.497 9.497 8.835 0.662 RESID 183 (F): N 117.900 117.900 121.098 -3.198 RESID 183 (F): C 177.800 177.800 175.137 2.663 RESID 183 (F): CA 56.780 56.780 57.892 -1.112 RESID 183 (F): CB 38.320 38.320 42.956 -4.636 RESID 183 (F): H 8.470 8.470 8.118 0.352 RESID 184 (G): N 113.700 113.700 108.969 4.731 RESID 184 (G): C 173.300 173.300 174.870 -1.570 RESID 184 (G): CA 46.900 46.900 44.916 1.984 RESID 184 (G): H 9.107 9.107 8.815 0.292 RESID 185 (G): N 111.000 111.000 108.781 2.219 RESID 185 (G): C 171.100 171.100 172.847 -1.747 RESID 185 (G): CA 44.530 44.530 45.458 -0.928 RESID 185 (G): H 7.702 7.702 8.250 -0.548 RESID 186 (P): C 175.500 175.500 176.198 -0.698 RESID 186 (P): CA 61.920 61.920 64.430 -2.510 RESID 186 (P): CB 32.640 32.640 31.857 0.783 RESID 187 (S): N 113.500 113.500 119.363 -5.863 RESID 187 (S): C 173.500 173.500 173.896 -0.396 RESID 187 (S): CA 57.930 57.930 57.252 0.678 RESID 187 (S): CB 63.260 63.260 65.814 -2.554 RESID 187 (S): H 8.452 8.452 8.329 0.123 RESID 188 (V): N 123.300 123.300 121.736 1.564 RESID 188 (V): C 173.900 173.900 173.492 0.408 RESID 188 (V): CA 61.800 61.800 62.084 -0.284 RESID 188 (V): CB 32.680 32.680 33.433 -0.753 RESID 188 (V): H 9.080 9.080 7.897 1.183 RESID 189 (K): N 125.200 125.200 121.958 3.242 RESID 189 (K): C 176.700 176.700 173.926 2.774 RESID 189 (K): CA 54.680 54.680 56.146 -1.466 RESID 189 (K): CB 33.780 33.780 34.816 -1.036 RESID 189 (K): H 8.123 8.123 8.202 -0.079 RESID 190 (D): N 120.300 120.300 122.063 -1.763 RESID 190 (D): C 175.300 175.300 176.890 -1.590 RESID 190 (D): CA 55.610 55.610 53.450 2.160 RESID 190 (D): CB 42.620 42.620 40.440 2.180 RESID 190 (D): H 8.823 8.823 8.270 0.553 RESID 191 (E): N 129.100 129.100 126.594 2.506 RESID 191 (E): C 177.300 177.300 177.565 -0.265 RESID 191 (E): CA 59.310 59.310 58.454 0.856 RESID 191 (E): CB 28.420 28.420 29.522 -1.102 RESID 191 (E): H 9.239 9.239 8.851 0.388 RESID 192 (K): N 118.000 118.000 119.288 -1.288 RESID 192 (K): C 178.200 178.200 178.054 0.146 RESID 192 (K): CA 58.140 58.140 58.923 -0.783 RESID 192 (K): CB 31.690 31.690 32.149 -0.459 RESID 192 (K): H 7.918 7.918 8.784 -0.866 RESID 193 (L): N 118.200 118.200 118.010 0.190 RESID 193 (L): C 177.700 177.700 177.733 -0.033 RESID 193 (L): CA 55.790 55.790 56.985 -1.195 RESID 193 (L): CB 42.330 42.330 42.076 0.254 RESID 193 (L): H 8.362 8.362 7.144 1.218 RESID 194 (F): N 116.800 116.800 113.462 3.338 RESID 194 (F): C 178.200 178.200 175.848 2.352 RESID 194 (F): CA 54.620 54.620 57.355 -2.736 RESID 194 (F): CB 37.390 37.390 39.841 -2.451 RESID 194 (F): H 8.036 8.036 7.305 0.731 RESID 195 (G): N 106.900 106.900 108.862 -1.962 RESID 195 (G): C 174.200 174.200 174.571 -0.371 RESID 195 (G): CA 44.120 44.120 44.924 -0.804 RESID 195 (G): H 7.510 7.510 7.652 -0.142 RESID 196 (V): N 112.400 112.400 123.872 -11.472 RESID 196 (V): C 175.300 175.300 175.827 -0.527 RESID 196 (V): CA 60.720 60.720 64.003 -3.283 RESID 196 (V): CB 30.630 30.630 32.159 -1.529 RESID 196 (V): H 8.064 8.064 8.335 -0.271 RESID 197 (G): N 108.100 108.100 105.183 2.917 RESID 197 (G): C 172.300 172.300 172.019 0.281 RESID 197 (G): CA 43.210 43.210 45.280 -2.070 RESID 197 (G): H 7.788 7.788 7.255 0.533 RESID 198 (T): N 109.200 109.200 113.362 -4.162 RESID 198 (T): C 172.800 172.800 173.152 -0.352 RESID 198 (T): CA 59.090 59.090 59.334 -0.243 RESID 198 (T): CB 71.080 71.080 71.321 -0.241 RESID 198 (T): H 7.796 7.796 7.955 -0.159 RESID 199 (G): N 103.900 103.900 108.189 -4.289 RESID 199 (G): C 171.800 171.800 172.262 -0.462 RESID 199 (G): CA 43.840 43.840 45.629 -1.789 RESID 199 (G): H 7.928 7.928 7.855 0.073 RESID 200 (M): N 121.400 121.400 119.420 1.980 RESID 200 (M): C 176.200 176.200 176.027 0.173 RESID 200 (M): CA 55.260 55.260 54.824 0.436 RESID 200 (M): CB 33.390 33.390 35.615 -2.225 RESID 200 (M): H 7.971 7.971 8.235 -0.264 RESID 201 (G): N 112.200 112.200 110.394 1.806 RESID 201 (G): C 172.000 172.000 172.665 -0.665 RESID 201 (G): CA 44.540 44.540 44.294 0.246 RESID 201 (G): H 8.818 8.818 8.422 0.396 RESID 202 (L): N 124.700 124.700 124.850 -0.150 RESID 202 (L): C 176.000 176.000 175.926 0.074 RESID 202 (L): CA 53.740 53.740 52.826 0.914 RESID 202 (L): CB 46.010 46.010 46.042 -0.032 RESID 202 (L): H 8.767 8.767 8.671 0.096 RESID 203 (R): N 121.600 121.600 120.092 1.508 RESID 203 (R): C 180.400 180.400 177.909 2.491 RESID 203 (R): CA 57.130 57.130 55.459 1.671 RESID 203 (R): CB 29.650 29.650 31.287 -1.637 RESID 203 (R): H 10.270 10.270 8.139 2.131 RESID 204 (K): N 123.200 123.200 124.407 -1.207 RESID 204 (K): C 178.200 178.200 177.677 0.523 RESID 204 (K): CA 59.570 59.570 59.679 -0.109 RESID 204 (K): CB 31.840 31.840 32.149 -0.309 RESID 204 (K): H 9.231 9.231 8.670 0.561 RESID 205 (E): N 113.800 113.800 117.136 -3.336 RESID 205 (E): C 177.700 177.700 177.897 -0.197 RESID 205 (E): CA 57.230 57.230 58.234 -1.004 RESID 205 (E): CB 27.770 27.770 28.903 -1.133 RESID 205 (E): H 9.026 9.026 8.227 0.799 RESID 206 (D): N 126.000 126.000 120.850 5.150 RESID 206 (D): C 177.300 177.300 176.514 0.786 RESID 206 (D): CA 53.710 53.710 53.666 0.044 RESID 206 (D): CB 37.530 37.530 38.695 -1.165 RESID 206 (D): H 7.253 7.253 8.036 -0.783 RESID 207 (N): N 120.100 120.100 120.450 -0.350 RESID 207 (N): C 176.900 176.900 177.010 -0.110 RESID 207 (N): CA 56.950 56.950 56.435 0.515 RESID 207 (N): CB 38.820 38.820 38.895 -0.076 RESID 207 (N): H 7.839 7.839 8.726 -0.887 RESID 208 (E): N 120.500 120.500 118.969 1.531 RESID 208 (E): C 179.900 179.900 178.466 1.434 RESID 208 (E): CA 59.870 59.870 58.969 0.901 RESID 208 (E): CB 27.630 27.630 29.447 -1.817 RESID 208 (E): H 8.776 8.776 8.332 0.444 RESID 209 (L): N 122.900 122.900 120.444 2.456 RESID 209 (L): C 177.100 177.100 178.209 -1.109 RESID 209 (L): CA 57.400 57.400 57.549 -0.149 RESID 209 (L): CB 40.660 40.660 41.840 -1.179 RESID 209 (L): H 8.366 8.366 7.861 0.505 RESID 210 (R): N 119.100 119.100 118.753 0.347 RESID 210 (R): C 177.400 177.400 178.220 -0.820 RESID 210 (R): CA 59.970 59.970 59.740 0.230 RESID 210 (R): CB 30.110 30.110 30.023 0.087 RESID 210 (R): H 7.582 7.582 8.324 -0.742 RESID 211 (E): N 116.200 116.200 119.256 -3.056 RESID 211 (E): C 179.800 179.800 178.536 1.264 RESID 211 (E): CA 59.150 59.150 59.262 -0.112 RESID 211 (E): CB 28.600 28.600 29.593 -0.994 RESID 211 (E): H 8.407 8.407 7.873 0.534 RESID 212 (A): N 123.500 123.500 122.692 0.808 RESID 212 (A): C 181.300 181.300 179.655 1.645 RESID 212 (A): CA 54.810 54.810 54.712 0.098 RESID 212 (A): CB 17.170 17.170 18.137 -0.967 RESID 212 (A): H 8.128 8.128 7.631 0.497 RESID 213 (L): N 121.200 121.200 119.628 1.572 RESID 213 (L): C 178.400 178.400 179.613 -1.213 RESID 213 (L): CA 57.710 57.710 58.206 -0.496 RESID 213 (L): CB 41.450 41.450 41.220 0.230 RESID 213 (L): H 8.364 8.364 8.060 0.304 RESID 214 (N): N 119.200 119.200 116.474 2.726 RESID 214 (N): C 179.700 179.700 177.855 1.845 RESID 214 (N): CA 55.260 55.260 55.880 -0.620 RESID 214 (N): CB 37.120 37.120 37.919 -0.799 RESID 214 (N): H 8.435 8.435 8.342 0.093 RESID 215 (K): N 123.800 123.800 121.327 2.473 RESID 215 (K): C 178.400 178.400 178.516 -0.116 RESID 215 (K): CA 59.090 59.090 59.399 -0.309 RESID 215 (K): CB 31.740 31.740 32.483 -0.743 RESID 215 (K): H 8.080 8.080 8.451 -0.371 RESID 216 (A): N 122.200 122.200 121.756 0.444 RESID 216 (A): C 179.500 179.500 179.515 -0.015 RESID 216 (A): CA 54.140 54.140 54.890 -0.750 RESID 216 (A): CB 18.700 18.700 18.267 0.433 RESID 216 (A): H 7.935 7.935 8.247 -0.312 RESID 217 (F): N 119.500 119.500 120.119 -0.619 RESID 217 (F): C 177.200 177.200 176.977 0.223 RESID 217 (F): CA 61.390 61.390 60.290 1.100 RESID 217 (F): CB 38.000 38.000 39.068 -1.068 RESID 217 (F): H 8.916 8.916 8.329 0.587 RESID 218 (A): N 121.300 121.300 121.207 0.093 RESID 218 (A): C 182.100 182.100 179.680 2.420 RESID 218 (A): CA 54.810 54.810 55.205 -0.394 RESID 218 (A): CB 16.650 16.650 17.991 -1.341 RESID 218 (A): H 7.956 7.956 8.153 -0.197 RESID 219 (E): N 120.000 120.000 119.032 0.968 RESID 219 (E): C 178.600 178.600 179.006 -0.406 RESID 219 (E): CA 59.040 59.040 59.308 -0.268 RESID 219 (E): CB 28.320 28.320 29.483 -1.163 RESID 219 (E): H 7.952 7.952 7.844 0.108 RESID 220 (M): N 120.900 120.900 118.156 2.744 RESID 220 (M): C 179.000 179.000 178.536 0.464 RESID 220 (M): CA 57.430 57.430 59.486 -2.057 RESID 220 (M): CB 32.620 32.620 32.455 0.166 RESID 220 (M): H 8.190 8.190 8.064 0.126 RESID 221 (R): N 119.200 119.200 118.382 0.818 RESID 221 (R): C 179.300 179.300 178.893 0.407 RESID 221 (R): CA 58.710 58.710 58.938 -0.229 RESID 221 (R): CB 27.480 27.480 29.863 -2.384 RESID 221 (R): H 7.762 7.762 7.525 0.237 RESID 222 (A): N 122.500 122.500 122.099 0.401 RESID 222 (A): C 179.300 179.300 178.931 0.369 RESID 222 (A): CA 54.180 54.180 54.630 -0.450 RESID 222 (A): CB 18.030 18.030 18.547 -0.517 RESID 222 (A): H 7.838 7.838 7.741 0.097 RESID 223 (D): N 115.100 115.100 114.696 0.404 RESID 223 (D): C 177.900 177.900 177.266 0.634 RESID 223 (D): CA 53.020 53.020 53.142 -0.122 RESID 223 (D): CB 39.570 39.570 40.443 -0.873 RESID 223 (D): H 8.091 8.091 7.983 0.108 RESID 224 (G): N 106.700 106.700 108.833 -2.133 RESID 224 (G): C 176.000 176.000 176.007 -0.007 RESID 224 (G): CA 45.070 45.070 46.311 -1.241 RESID 224 (G): H 7.199 7.199 7.428 -0.229 RESID 225 (T): N 122.400 122.400 117.145 5.255 RESID 225 (T): C 175.700 175.700 175.317 0.383 RESID 225 (T): CA 67.610 67.610 67.857 -0.247 RESID 225 (T): CB 66.840 66.840 68.760 -1.920 RESID 225 (T): H 9.095 9.095 8.763 0.332 RESID 226 (Y): N 121.500 121.500 121.705 -0.205 RESID 226 (Y): C 176.000 176.000 176.913 -0.913 RESID 226 (Y): CA 62.530 62.530 62.296 0.234 RESID 226 (Y): CB 38.410 38.410 38.320 0.090 RESID 226 (Y): H 8.040 8.040 7.645 0.395 RESID 227 (E): N 118.200 118.200 118.728 -0.528 RESID 227 (E): C 178.200 178.200 178.694 -0.494 RESID 227 (E): CA 58.940 58.940 59.477 -0.537 RESID 227 (E): CB 28.810 28.810 29.127 -0.317 RESID 227 (E): H 8.153 8.153 8.592 -0.439 RESID 228 (K): N 119.100 119.100 120.421 -1.321 RESID 228 (K): C 179.500 179.500 179.063 0.437 RESID 228 (K): CA 59.260 59.260 59.505 -0.245 RESID 228 (K): CB 31.520 31.520 32.417 -0.897 RESID 228 (K): H 7.558 7.558 8.388 -0.830 RESID 229 (L): N 119.100 119.100 119.357 -0.257 RESID 229 (L): C 179.300 179.300 178.850 0.450 RESID 229 (L): CA 56.970 56.970 57.722 -0.752 RESID 229 (L): CB 41.520 41.520 41.858 -0.338 RESID 229 (L): H 8.055 8.055 8.080 -0.025 RESID 230 (A): N 121.200 121.200 122.125 -0.925 RESID 230 (A): C 180.500 180.500 179.247 1.253 RESID 230 (A): CA 54.890 54.890 55.539 -0.649 RESID 230 (A): CB 17.570 17.570 17.754 -0.184 RESID 230 (A): H 8.901 8.901 8.323 0.578 RESID 231 (K): N 117.200 117.200 118.008 -0.808 RESID 231 (K): C 177.700 177.700 178.161 -0.461 RESID 231 (K): CA 57.370 57.370 58.783 -1.413 RESID 231 (K): CB 31.330 31.330 32.357 -1.027 RESID 231 (K): H 8.062 8.062 8.123 -0.061 RESID 232 (K): N 117.600 117.600 116.739 0.861 RESID 232 (K): C 176.800 176.800 179.192 -2.392 RESID 232 (K): CA 57.890 57.890 58.645 -0.755 RESID 232 (K): CB 31.150 31.150 32.556 -1.406 RESID 232 (K): H 7.053 7.053 7.463 -0.410 RESID 233 (Y): N 114.000 114.000 117.053 -3.053 RESID 233 (Y): C 175.100 175.100 175.778 -0.678 RESID 233 (Y): CA 58.110 58.110 61.242 -3.132 RESID 233 (Y): CB 39.360 39.360 38.971 0.389 RESID 233 (Y): H 7.013 7.013 7.990 -0.977 RESID 234 (F): N 116.400 116.400 113.475 2.925 RESID 234 (F): C 175.800 175.800 173.438 2.362 RESID 234 (F): CA 54.920 54.920 56.742 -1.822 RESID 234 (F): CB 41.260 41.260 42.823 -1.563 RESID 234 (F): H 8.038 8.038 8.198 -0.160 RESID 235 (D): N 123.000 123.000 120.716 2.284 RESID 235 (D): C 174.500 174.500 175.107 -0.607 RESID 235 (D): CA 52.680 52.680 53.428 -0.748 RESID 235 (D): CB 39.860 39.860 39.784 0.076 RESID 235 (D): H 8.879 8.879 8.638 0.241 RESID 236 (F): N 115.500 115.500 122.138 -6.638 RESID 236 (F): C 173.600 173.600 173.575 0.025 RESID 236 (F): CA 53.950 53.950 56.316 -2.365 RESID 236 (F): CB 39.860 39.860 39.754 0.106 RESID 236 (F): H 6.793 6.793 7.450 -0.657 RESID 237 (D): N 119.700 119.700 122.049 -2.349 RESID 237 (D): C 175.800 175.800 177.154 -1.354 RESID 237 (D): CA 52.980 52.980 52.654 0.326 RESID 237 (D): CB 39.210 39.210 41.891 -2.681 RESID 237 (D): H 8.831 8.831 8.652 0.179 RESID 238 (V): N 129.900 129.900 122.600 7.300 RESID 238 (V): C 175.200 175.200 176.687 -1.487 RESID 238 (V): CA 61.840 61.840 65.128 -3.288 RESID 238 (V): CB 32.500 32.500 31.906 0.594 RESID 238 (V): H 7.376 7.376 8.403 -1.027 RESID 239 (Y): N 123.500 123.500 119.032 4.468 RESID 239 (Y): C 176.500 176.500 178.539 -2.039 RESID 239 (Y): CA 61.920 61.920 61.104 0.816 RESID 239 (Y): CB 38.010 38.010 37.740 0.270 RESID 239 (Y): H 8.314 8.314 7.915 0.399 RESID 240 (G): N 104.100 104.100 104.549 -0.449 RESID 240 (G): C 174.600 174.600 174.901 -0.301 RESID 240 (G): CA 45.930 45.930 45.323 0.607 RESID 240 (G): H 7.428 7.428 8.414 -0.986 N HA C CA CB H RESID 6 (P): ----- ----- -1.427 -0.818 -0.474 ----- RESID 7 (Q): -1.945 ----- 0.072 -1.058 -0.722 -0.282 RESID 8 (N): 2.004 ----- -0.274 -0.643 -1.468 -0.362 RESID 9 (I): -1.319 ----- -0.115 -0.566 -0.598 -0.740 RESID 10 (R): -0.934 ----- 0.720 -1.456 -0.754 1.003 RESID 11 (I): 3.341 ----- 0.323 0.273 -4.127 0.266 RESID 12 (G): 0.412 ----- -1.518 0.218 ----- 0.897 RESID 13 (T): -1.593 ----- 8.331 -0.345 -1.504 0.786 RESID 14 (D): -0.707 ----- 2.981 -0.347 -1.406 -0.418 RESID 15 (P): ----- ----- -1.105 -1.422 -4.458 ----- RESID 16 (T): 5.494 ----- 0.735 -2.473 -1.190 0.474 RESID 17 (Y): 3.931 ----- -0.440 -1.954 0.198 0.896 RESID 18 (A): 2.422 ----- -0.464 -4.579 -0.193 0.021 RESID 19 (P): ----- ----- -4.314 -2.340 0.190 ----- RESID 20 (F): 7.796 ----- 1.240 2.926 -3.106 -0.183 RESID 21 (E): -2.700 ----- -0.760 -1.097 -5.227 -0.783 RESID 22 (S): 4.142 ----- -0.778 -1.296 -1.189 0.455 RESID 23 (K): -2.096 ----- 2.524 -1.639 -1.837 -0.008 RESID 24 (N): 1.357 ----- 0.945 -1.280 -1.971 -0.011 RESID 25 (S): ----- ----- -0.008 0.034 -0.110 ----- RESID 26 (Q): -0.173 ----- -0.588 -0.487 -0.460 -0.831 RESID 27 (G): 1.140 ----- -0.368 -0.025 ----- 0.323 RESID 28 (E): 0.493 ----- 0.131 -1.499 -0.830 -0.225 RESID 29 (L): 2.358 ----- 1.036 0.515 -1.741 0.038 RESID 30 (V): -3.525 ----- 1.674 -1.713 -0.114 1.244 RESID 31 (G): -0.004 ----- 0.909 -1.326 ----- 1.182 RESID 32 (F): -2.629 ----- 2.021 -0.915 -0.335 0.187 RESID 33 (D): -2.507 ----- 0.970 -0.093 -1.831 1.256 RESID 34 (I): -1.080 ----- 0.018 -3.352 -4.325 -0.371 RESID 35 (D): 0.650 ----- 1.574 -0.354 0.088 0.724 RESID 36 (L): -0.359 ----- 0.502 -0.046 0.637 1.275 RESID 37 (A): -1.410 ----- -0.982 -0.053 -1.123 0.719 RESID 38 (K): -2.978 ----- 0.979 0.505 -0.549 0.614 RESID 39 (E): 2.043 ----- -1.070 -0.886 -1.507 -0.079 RESID 40 (L): 1.095 ----- -0.092 0.230 -1.526 0.747 RESID 41 (C): -2.719 ----- -1.657 -0.356 21.401 0.021 RESID 42 (K): -0.342 ----- 1.691 -0.630 -0.928 -0.527 RESID 43 (R): 1.572 ----- 0.035 0.319 -0.244 0.442 RESID 44 (I): -5.746 ----- -0.841 -2.134 -1.577 -0.650 RESID 45 (N): 3.073 ----- -0.348 -0.955 0.695 -0.314 RESID 46 (T): 6.948 ----- 0.260 -0.245 -1.381 0.001 RESID 47 (Q): 3.461 ----- 0.828 -0.567 -1.765 -0.323 RESID 48 (C): -0.758 ----- -0.581 -4.734 18.008 0.185 RESID 49 (T): -1.933 ----- 0.167 -1.050 -0.124 -0.573 RESID 50 (F): -2.103 ----- -0.149 0.037 0.392 0.346 RESID 51 (V): 2.641 ----- -0.007 -0.027 -1.708 0.125 RESID 52 (E): -1.972 ----- 1.704 -2.796 -1.040 -0.159 RESID 53 (N): 6.496 ----- -1.808 -0.322 5.674 0.694 RESID 54 (P): ----- ----- -0.177 -0.679 -1.429 ----- RESID 55 (L): 0.011 ----- 0.877 -1.127 0.089 0.311 RESID 56 (D): -3.651 ----- -0.822 -0.790 -0.532 0.118 RESID 57 (A): 0.505 ----- 1.043 -2.171 -0.484 -0.242 RESID 58 (L): 1.225 ----- -0.959 0.900 -1.718 -0.360 RESID 59 (I): 0.030 ----- 1.226 1.640 -0.696 1.313 RESID 60 (P): ----- ----- 0.876 -0.619 -1.281 ----- RESID 61 (S): -0.109 ----- -1.201 0.385 ----- -0.382 RESID 62 (L): 3.154 ----- 2.024 -0.315 0.040 0.105 RESID 63 (K): 1.947 ----- 0.076 0.330 -1.701 0.712 RESID 64 (A): 0.006 ----- -0.477 -0.313 -0.429 -0.284 RESID 65 (K): -1.751 ----- -0.517 -0.203 -2.190 0.076 RESID 66 (K): 2.861 ----- -0.505 -1.252 -0.843 0.641 RESID 67 (I): -4.993 ----- -1.369 0.018 -0.582 -0.205 RESID 68 (D): -2.994 ----- -3.560 0.236 1.592 1.290 RESID 69 (A): -0.872 ----- 1.052 -1.042 -0.211 -0.032 RESID 70 (I): -0.298 ----- 0.195 -0.617 0.174 1.360 RESID 71 (M): -0.584 ----- -1.534 -2.022 -0.079 0.177 RESID 72 (S): 1.622 ----- -0.991 0.887 -0.586 0.087 RESID 73 (S): 4.775 ----- 0.132 -0.978 0.089 -0.068 RESID 74 (L): -3.092 ----- -0.763 -1.246 -0.464 1.201 RESID 75 (S): 2.168 ----- 0.815 2.371 -1.709 0.267 RESID 76 (I): 9.490 ----- 0.956 1.729 -3.854 0.070 RESID 77 (T): 3.065 ----- -0.273 -2.222 -0.735 -1.016 RESID 78 (E): -0.417 ----- 1.607 -1.719 -0.643 0.025 RESID 79 (K): 0.093 ----- 1.564 -0.292 -0.690 0.048 RESID 80 (R): -0.343 ----- 0.145 0.368 0.311 0.277 RESID 81 (Q): -0.772 ----- -2.227 -1.626 0.330 0.099 RESID 82 (Q): -1.921 ----- -0.290 -1.096 -0.527 -0.606 RESID 83 (E): -1.567 ----- -0.855 -1.280 1.672 -0.253 RESID 84 (I): 3.233 ----- -1.338 0.480 -0.686 0.304 RESID 85 (A): 0.218 ----- -0.263 -1.123 0.859 0.258 RESID 86 (F): -3.619 ----- 2.978 -1.058 0.261 -0.334 RESID 87 (T): -6.779 ----- 0.900 0.771 2.661 -0.495 RESID 88 (D): -2.021 ----- -1.327 -0.748 1.062 -0.013 RESID 89 (K): 1.490 ----- -0.489 -1.698 0.324 -0.021 RESID 90 (L): -1.136 ----- 0.449 -2.935 -1.644 0.069 RESID 91 (Y): -0.721 ----- -0.752 0.039 -2.633 -0.352 RESID 92 (A): 0.612 ----- -1.170 0.859 0.704 -0.964 RESID 93 (A): -0.768 ----- -0.953 0.380 -0.074 0.286 RESID 94 (D): 1.320 ----- -0.823 -1.256 -0.204 0.760 RESID 95 (S): -1.862 ----- -1.459 0.459 -0.090 -1.029 RESID 96 (R): 4.560 ----- -0.147 1.584 -0.287 0.410 RESID 97 (L): -0.914 ----- 1.689 0.322 -1.748 1.299 RESID 98 (V): 1.197 ----- 0.659 0.896 0.563 1.506 RESID 99 (V): -3.883 ----- 0.629 -0.580 1.001 1.071 RESID 100 (A): 0.930 ----- 0.837 2.066 -1.974 0.621 RESID 101 (K): -4.026 ----- -0.207 0.386 -0.485 -1.073 RESID 102 (N): -1.166 ----- 0.251 -2.308 -1.617 -0.234 RESID 103 (S): 0.142 ----- 2.736 0.697 0.395 0.081 RESID 104 (D): -0.821 ----- 1.715 -0.983 -0.581 0.003 RESID 105 (I): -1.156 ----- -0.703 3.202 -2.991 -0.314 RESID 106 (Q): -0.560 ----- 0.683 -0.643 1.988 -0.176 RESID 107 (P): ----- ----- -0.477 -1.792 -3.895 ----- RESID 108 (T): -3.057 ----- -0.394 -3.899 -1.057 0.799 RESID 109 (V): -1.770 ----- 0.373 0.819 -2.187 0.284 RESID 110 (E): -3.921 ----- -0.252 -0.884 -0.874 0.025 RESID 111 (S): -0.221 ----- 0.575 -1.612 1.202 -1.043 RESID 112 (L): -4.312 ----- -0.010 -0.836 0.094 0.353 RESID 113 (K): 1.813 ----- 0.708 0.622 -1.395 -0.283 RESID 114 (G): 0.961 ----- -0.592 -0.113 ----- 0.100 RESID 115 (K): -1.094 ----- -1.300 -1.014 -1.324 0.649 RESID 116 (R): -1.453 ----- 0.570 -0.980 0.451 0.984 RESID 117 (V): 2.945 ----- 0.352 -0.127 -1.950 0.569 RESID 118 (G): 0.380 ----- -0.214 1.399 ----- 1.315 RESID 119 (V): -5.904 ----- 0.065 -2.178 -0.657 -0.220 RESID 120 (L): 0.270 ----- 1.233 -0.258 -1.453 0.136 RESID 121 (Q): 0.828 ----- -0.355 -0.402 -1.607 0.319 RESID 122 (G): -0.042 ----- 1.547 -0.229 ----- 0.595 RESID 123 (T): -1.676 ----- 2.382 0.262 2.885 -0.516 RESID 124 (T): 1.408 ----- 1.571 -0.665 -0.986 0.276 RESID 125 (Q): -1.828 ----- 0.218 1.900 -2.742 -0.749 RESID 126 (E): 2.112 ----- -1.298 -0.211 -0.917 -0.101 RESID 127 (T): 1.576 ----- -0.169 -0.497 -1.139 0.557 RESID 128 (F): -0.078 ----- 0.471 0.852 -0.120 0.288 RESID 129 (G): -0.120 ----- -0.390 -0.514 ----- -0.266 RESID 130 (N): 4.538 ----- 0.365 0.048 -0.632 0.328 RESID 131 (E): 2.282 ----- 0.801 1.235 -1.415 0.429 RESID 132 (H): -6.049 ----- 0.347 -1.889 0.705 -0.008 RESID 133 (W): 1.853 ----- 0.605 -0.983 0.673 0.154 RESID 134 (A): 0.752 ----- 0.477 0.774 -0.815 1.176 RESID 135 (P): ----- ----- -0.238 0.311 -0.177 ----- RESID 136 (K): -0.471 ----- -1.126 -2.381 -0.599 -0.488 RESID 137 (G): -2.268 ----- 0.770 0.366 ----- 0.197 RESID 138 (I): 5.035 ----- -0.389 0.352 -1.774 -0.590 RESID 139 (E): 1.163 ----- -1.200 0.445 -1.734 -0.104 RESID 140 (I): 7.829 ----- 1.318 -1.936 -6.189 0.276 RESID 141 (V): 7.822 ----- -0.209 -0.137 -3.917 0.359 RESID 142 (S): 2.765 ----- 1.367 0.205 -0.044 0.039 RESID 143 (Y): -2.744 ----- -0.551 -0.522 1.116 -0.436 RESID 144 (Q): -0.973 ----- 1.080 0.506 -1.336 0.251 RESID 145 (G): -0.422 ----- -0.659 -0.049 ----- -0.325 RESID 146 (Q): 1.582 ----- -0.142 -1.002 -0.423 0.092 RESID 147 (D): -0.562 ----- 0.397 -0.272 -0.839 -0.043 RESID 148 (N): -0.343 ----- -0.629 -0.664 0.493 -1.062 RESID 149 (I): 0.303 ----- -0.154 -0.453 -1.650 -0.293 RESID 150 (Y): -0.657 ----- 0.649 -1.876 -1.725 -0.500 RESID 151 (S): 1.937 ----- -0.080 -0.622 -0.364 -0.075 RESID 152 (D): -1.076 ----- 0.664 -0.285 -2.161 -0.182 RESID 153 (L): 2.840 ----- 1.805 0.619 -0.182 0.594 RESID 154 (T): -1.397 ----- 1.319 -1.498 -0.303 0.068 RESID 155 (A): 1.623 ----- 0.152 -0.680 -0.456 0.364 RESID 156 (G): 0.619 ----- -0.261 0.225 ----- -0.011 RESID 157 (R): -0.135 ----- 0.887 -0.321 -0.373 0.329 RESID 158 (I): -3.982 ----- -0.590 0.684 -0.935 -0.014 RESID 159 (D): -4.753 ----- -0.936 -0.414 1.923 0.201 RESID 160 (A): -0.061 ----- 0.590 -1.293 1.678 0.547 RESID 161 (A): 1.577 ----- -0.170 -0.532 -0.463 0.929 RESID 162 (F): 2.515 ----- -2.100 -3.730 0.607 0.542 RESID 163 (Q): 1.248 ----- -0.292 -0.078 1.259 -0.366 RESID 164 (D): 1.080 ----- -1.431 1.086 0.330 -0.127 RESID 165 (E): 5.786 ----- -0.398 0.118 0.203 -0.143 RESID 166 (V): 1.272 ----- 1.032 0.124 -0.164 0.591 RESID 167 (A): 3.163 ----- 3.418 0.283 -0.110 0.757 RESID 168 (A): -0.875 ----- 0.073 -0.363 0.341 0.477 RESID 169 (S): -1.032 ----- -0.496 -1.498 0.390 -0.054 RESID 170 (E): -4.146 ----- 1.421 -0.247 0.748 0.998 RESID 171 (G): -1.593 ----- -1.158 -0.237 ----- 0.774 RESID 172 (F): -2.401 ----- -2.483 -0.455 1.651 -1.045 RESID 173 (L): 0.064 ----- 0.708 0.805 -1.811 0.947 RESID 174 (K): -1.848 ----- 0.545 -0.829 -0.887 0.458 RESID 175 (Q): 1.722 ----- 2.055 0.292 -3.051 -0.128 RESID 176 (P): ----- ----- 1.711 0.688 -0.925 ----- RESID 177 (V): -5.181 ----- -1.913 -2.904 -0.341 -0.193 RESID 178 (G): 4.152 ----- 0.133 -2.082 ----- -0.660 RESID 179 (K): 1.852 ----- -0.602 -0.102 -1.009 -0.438 RESID 180 (D): -0.180 ----- -1.984 -1.944 -1.764 0.584 RESID 181 (Y): 5.453 ----- -1.183 0.153 -0.501 0.320 RESID 182 (K): -1.791 ----- 0.635 -2.123 2.250 0.662 RESID 183 (F): -3.198 ----- 2.663 -1.112 -4.636 0.352 RESID 184 (G): 4.731 ----- -1.570 1.984 ----- 0.292 RESID 185 (G): 2.219 ----- -1.747 -0.928 ----- -0.548 RESID 186 (P): ----- ----- -0.698 -2.510 0.783 ----- RESID 187 (S): -5.863 ----- -0.396 0.678 -2.554 0.123 RESID 188 (V): 1.564 ----- 0.408 -0.284 -0.753 1.183 RESID 189 (K): 3.242 ----- 2.774 -1.466 -1.036 -0.079 RESID 190 (D): -1.763 ----- -1.590 2.160 2.180 0.553 RESID 191 (E): 2.506 ----- -0.265 0.856 -1.102 0.388 RESID 192 (K): -1.288 ----- 0.146 -0.783 -0.459 -0.866 RESID 193 (L): 0.190 ----- -0.033 -1.195 0.254 1.218 RESID 194 (F): 3.338 ----- 2.352 -2.736 -2.451 0.731 RESID 195 (G): -1.962 ----- -0.371 -0.804 ----- -0.142 RESID 196 (V): -11.472 ----- -0.527 -3.283 -1.529 -0.271 RESID 197 (G): 2.917 ----- 0.281 -2.070 ----- 0.533 RESID 198 (T): -4.162 ----- -0.352 -0.243 -0.241 -0.159 RESID 199 (G): -4.289 ----- -0.462 -1.789 ----- 0.073 RESID 200 (M): 1.980 ----- 0.173 0.436 -2.225 -0.264 RESID 201 (G): 1.806 ----- -0.665 0.246 ----- 0.396 RESID 202 (L): -0.150 ----- 0.074 0.914 -0.032 0.096 RESID 203 (R): 1.508 ----- 2.491 1.671 -1.637 2.131 RESID 204 (K): -1.207 ----- 0.523 -0.109 -0.309 0.561 RESID 205 (E): -3.336 ----- -0.197 -1.004 -1.133 0.799 RESID 206 (D): 5.150 ----- 0.786 0.044 -1.165 -0.783 RESID 207 (N): -0.350 ----- -0.110 0.515 -0.076 -0.887 RESID 208 (E): 1.531 ----- 1.434 0.901 -1.817 0.444 RESID 209 (L): 2.456 ----- -1.109 -0.149 -1.179 0.505 RESID 210 (R): 0.347 ----- -0.820 0.230 0.087 -0.742 RESID 211 (E): -3.056 ----- 1.264 -0.112 -0.994 0.534 RESID 212 (A): 0.808 ----- 1.645 0.098 -0.967 0.497 RESID 213 (L): 1.572 ----- -1.213 -0.496 0.230 0.304 RESID 214 (N): 2.726 ----- 1.845 -0.620 -0.799 0.093 RESID 215 (K): 2.473 ----- -0.116 -0.309 -0.743 -0.371 RESID 216 (A): 0.444 ----- -0.015 -0.750 0.433 -0.312 RESID 217 (F): -0.619 ----- 0.223 1.100 -1.068 0.587 RESID 218 (A): 0.093 ----- 2.420 -0.394 -1.341 -0.197 RESID 219 (E): 0.968 ----- -0.406 -0.268 -1.163 0.108 RESID 220 (M): 2.744 ----- 0.464 -2.057 0.166 0.126 RESID 221 (R): 0.818 ----- 0.407 -0.229 -2.384 0.237 RESID 222 (A): 0.401 ----- 0.369 -0.450 -0.517 0.097 RESID 223 (D): 0.404 ----- 0.634 -0.122 -0.873 0.108 RESID 224 (G): -2.133 ----- -0.007 -1.241 ----- -0.229 RESID 225 (T): 5.255 ----- 0.383 -0.247 -1.920 0.332 RESID 226 (Y): -0.205 ----- -0.913 0.234 0.090 0.395 RESID 227 (E): -0.528 ----- -0.494 -0.537 -0.317 -0.439 RESID 228 (K): -1.321 ----- 0.437 -0.245 -0.897 -0.830 RESID 229 (L): -0.257 ----- 0.450 -0.752 -0.338 -0.025 RESID 230 (A): -0.925 ----- 1.253 -0.649 -0.184 0.578 RESID 231 (K): -0.808 ----- -0.461 -1.413 -1.027 -0.061 RESID 232 (K): 0.861 ----- -2.392 -0.755 -1.406 -0.410 RESID 233 (Y): -3.053 ----- -0.678 -3.132 0.389 -0.977 RESID 234 (F): 2.925 ----- 2.362 -1.822 -1.563 -0.160 RESID 235 (D): 2.284 ----- -0.607 -0.748 0.076 0.241 RESID 236 (F): -6.638 ----- 0.025 -2.365 0.106 -0.657 RESID 237 (D): -2.349 ----- -1.354 0.326 -2.681 0.179 RESID 238 (V): 7.300 ----- -1.487 -3.288 0.594 -1.027 RESID 239 (Y): 4.468 ----- -2.039 0.816 0.270 0.399 RESID 240 (G): -0.449 ----- -0.301 0.607 ----- -0.986 DATA CS_STAT_INFO N RMS: 2.900 ppm Count: 226 Average Difference: -0.171 +/- 2.902 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.285 ppm Count: 236 Average Difference: -0.110 +/- 1.283 ppm DATA CS_STAT_INFO CA RMS: 1.329 ppm Count: 236 Average Difference: 0.525 +/- 1.223 ppm DATA CS_STAT_INFO CB RMS: 2.462 ppm Count: 215 Average Difference: 0.517 +/- 2.413 ppm DATA CS_STAT_INFO HN RMS: 0.587 ppm Count: 226 Average Difference: -0.124 +/- 0.575 ppm ############################################################################ For conformer 21: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.148 0.152 RESID 5 (I): C 174.300 174.300 174.348 -0.048 RESID 5 (I): CA 57.710 57.710 59.772 -2.062 RESID 5 (I): CB 37.260 37.260 37.748 -0.488 RESID 5 (I): H 7.868 7.868 8.240 -0.372 RESID 6 (P): C 176.100 176.100 176.804 -0.704 RESID 6 (P): CA 62.180 62.180 62.804 -0.624 RESID 6 (P): CB 31.620 31.620 32.345 -0.725 RESID 7 (Q): N 119.200 119.200 119.577 -0.377 RESID 7 (Q): C 175.600 175.600 176.021 -0.421 RESID 7 (Q): CA 57.190 57.190 57.841 -0.651 RESID 7 (Q): CB 28.500 28.500 29.144 -0.644 RESID 7 (Q): H 8.380 8.380 8.681 -0.301 RESID 8 (N): N 116.300 116.300 114.384 1.916 RESID 8 (N): C 173.600 173.600 173.860 -0.260 RESID 8 (N): CA 51.720 51.720 52.372 -0.652 RESID 8 (N): CB 40.540 40.540 41.888 -1.347 RESID 8 (N): H 7.472 7.472 7.807 -0.335 RESID 9 (I): N 121.000 121.000 122.901 -1.901 RESID 9 (I): C 174.700 174.700 174.897 -0.197 RESID 9 (I): CA 59.480 59.480 60.122 -0.642 RESID 9 (I): CB 39.740 39.740 40.129 -0.389 RESID 9 (I): H 8.416 8.416 9.146 -0.730 RESID 10 (R): N 126.500 126.500 127.229 -0.729 RESID 10 (R): C 175.800 175.800 175.507 0.293 RESID 10 (R): CA 53.950 53.950 55.441 -1.490 RESID 10 (R): CB 30.670 30.670 31.250 -0.580 RESID 10 (R): H 9.098 9.098 8.477 0.621 RESID 11 (I): N 127.500 127.500 124.950 2.550 RESID 11 (I): C 175.600 175.600 175.098 0.502 RESID 11 (I): CA 59.480 59.480 59.447 0.034 RESID 11 (I): CB 37.460 37.460 41.622 -4.162 RESID 11 (I): H 9.279 9.279 9.098 0.181 RESID 12 (G): N 114.800 114.800 114.290 0.510 RESID 12 (G): C 171.700 171.700 173.022 -1.322 RESID 12 (G): CA 44.540 44.540 44.286 0.254 RESID 12 (G): H 9.382 9.382 8.577 0.805 RESID 13 (T): N 120.600 120.600 121.670 -1.070 RESID 13 (T): C 181.600 181.600 173.047 8.553 RESID 13 (T): CA 61.470 61.470 62.049 -0.579 RESID 13 (T): CB 69.970 69.970 71.716 -1.746 RESID 13 (T): H 8.594 8.594 7.991 0.603 RESID 14 (D): N 127.000 127.000 127.747 -0.747 RESID 14 (D): C 177.500 177.500 174.768 2.732 RESID 14 (D): CA 49.760 49.760 50.295 -0.535 RESID 14 (D): CB 40.580 40.580 42.233 -1.653 RESID 14 (D): H 8.200 8.200 8.684 -0.484 RESID 15 (P): C 175.400 175.400 176.460 -1.060 RESID 15 (P): CA 61.920 61.920 63.340 -1.420 RESID 15 (P): CB 27.890 27.890 32.392 -4.502 RESID 16 (T): N 116.200 116.200 110.650 5.550 RESID 16 (T): C 174.000 174.000 173.280 0.720 RESID 16 (T): CA 59.560 59.560 62.014 -2.454 RESID 16 (T): CB 68.650 68.650 69.872 -1.222 RESID 16 (T): H 8.739 8.739 8.255 0.483 RESID 17 (Y): N 125.800 125.800 121.935 3.865 RESID 17 (Y): C 175.200 175.200 175.656 -0.456 RESID 17 (Y): CA 54.180 54.180 56.089 -1.909 RESID 17 (Y): CB 38.700 38.700 38.402 0.298 RESID 17 (Y): H 8.943 8.943 8.049 0.894 RESID 18 (A): N 132.100 132.100 129.657 2.443 RESID 18 (A): C 176.000 176.000 176.452 -0.452 RESID 18 (A): CA 51.490 51.490 56.072 -4.582 RESID 18 (A): CB 16.070 16.070 16.254 -0.184 RESID 18 (A): H 8.945 8.945 8.921 0.024 RESID 19 (P): C 173.500 173.500 177.786 -4.286 RESID 19 (P): CA 62.890 62.890 65.237 -2.347 RESID 19 (P): CB 31.790 31.790 31.585 0.205 RESID 20 (F): N 125.100 125.100 117.314 7.786 RESID 20 (F): C 176.700 176.700 175.110 1.590 RESID 20 (F): CA 62.420 62.420 59.707 2.713 RESID 20 (F): CB 37.980 37.980 41.059 -3.079 RESID 20 (F): H 8.117 8.117 8.237 -0.120 RESID 21 (E): N 111.800 111.800 114.511 -2.711 RESID 21 (E): C 173.600 173.600 174.434 -0.834 RESID 21 (E): CA 54.400 54.400 55.214 -0.814 RESID 21 (E): CB 28.770 28.770 34.140 -5.370 RESID 21 (E): H 7.701 7.701 8.489 -0.788 RESID 22 (S): N 117.200 117.200 113.114 4.086 RESID 22 (S): C 171.500 171.500 172.282 -0.782 RESID 22 (S): CA 57.290 57.290 58.560 -1.270 RESID 22 (S): CB 62.940 62.940 64.154 -1.214 RESID 22 (S): H 8.750 8.750 8.308 0.442 RESID 23 (K): N 117.400 117.400 119.253 -1.853 RESID 23 (K): C 177.600 177.600 174.993 2.607 RESID 23 (K): CA 53.700 53.700 55.370 -1.670 RESID 23 (K): CB 33.330 33.330 35.132 -1.802 RESID 23 (K): H 8.238 8.238 8.231 0.007 RESID 24 (N): N 122.400 122.400 120.778 1.622 RESID 24 (N): C 178.000 178.000 176.951 1.049 RESID 24 (N): CA 50.600 50.600 51.880 -1.280 RESID 24 (N): CB 38.140 38.140 40.021 -1.881 RESID 24 (N): H 8.584 8.584 8.521 0.063 RESID 25 (S): C 175.400 175.400 175.413 -0.013 RESID 25 (S): CA 60.970 60.970 60.973 -0.003 RESID 25 (S): CB 62.410 62.410 62.607 -0.197 RESID 26 (Q): N 119.300 119.300 119.482 -0.182 RESID 26 (Q): C 176.200 176.200 176.769 -0.569 RESID 26 (Q): CA 55.180 55.180 55.582 -0.402 RESID 26 (Q): CB 28.260 28.260 28.726 -0.466 RESID 26 (Q): H 7.520 7.520 7.880 -0.360 RESID 27 (G): N 108.800 108.800 107.676 1.124 RESID 27 (G): C 173.700 173.700 174.070 -0.370 RESID 27 (G): CA 45.050 45.050 45.051 -0.001 RESID 27 (G): H 8.169 8.169 7.914 0.255 RESID 28 (E): N 121.200 121.200 120.714 0.486 RESID 28 (E): C 175.800 175.800 175.607 0.193 RESID 28 (E): CA 54.490 54.490 55.885 -1.395 RESID 28 (E): CB 29.750 29.750 30.648 -0.898 RESID 28 (E): H 7.836 7.836 8.046 -0.210 RESID 29 (L): N 123.500 123.500 121.020 2.480 RESID 29 (L): C 176.400 176.400 175.901 0.499 RESID 29 (L): CA 54.310 54.310 53.740 0.570 RESID 29 (L): CB 41.180 41.180 42.794 -1.615 RESID 29 (L): H 8.281 8.281 8.340 -0.059 RESID 30 (V): N 118.200 118.200 122.300 -4.100 RESID 30 (V): C 175.300 175.300 173.650 1.650 RESID 30 (V): CA 58.360 58.360 60.106 -1.746 RESID 30 (V): CB 36.080 36.080 36.209 -0.129 RESID 30 (V): H 8.900 8.900 7.867 1.033 RESID 31 (G): N 109.800 109.800 109.832 -0.032 RESID 31 (G): C 174.400 174.400 173.532 0.868 RESID 31 (G): CA 43.830 43.830 45.165 -1.335 RESID 31 (G): H 8.611 8.611 7.435 1.176 RESID 32 (F): N 119.900 119.900 122.830 -2.930 RESID 32 (F): C 177.900 177.900 176.173 1.727 RESID 32 (F): CA 59.800 59.800 59.971 -0.171 RESID 32 (F): CB 38.950 38.950 39.331 -0.381 RESID 32 (F): H 8.295 8.295 8.241 0.054 RESID 33 (D): N 116.500 116.500 119.064 -2.564 RESID 33 (D): C 179.100 179.100 178.028 1.072 RESID 33 (D): CA 56.180 56.180 56.541 -0.361 RESID 33 (D): CB 38.610 38.610 40.218 -1.608 RESID 33 (D): H 8.935 8.935 7.207 1.728 RESID 34 (I): N 118.800 118.800 119.616 -0.816 RESID 34 (I): C 178.000 178.000 177.707 0.293 RESID 34 (I): CA 60.950 60.950 64.729 -3.779 RESID 34 (I): CB 33.620 33.620 37.794 -4.174 RESID 34 (I): H 6.535 6.535 7.724 -1.189 RESID 35 (D): N 121.000 121.000 120.350 0.650 RESID 35 (D): C 180.300 180.300 178.725 1.575 RESID 35 (D): CA 57.100 57.100 57.443 -0.343 RESID 35 (D): CB 40.420 40.420 40.356 0.063 RESID 35 (D): H 8.536 8.536 7.782 0.754 RESID 36 (L): N 120.500 120.500 120.928 -0.428 RESID 36 (L): C 178.500 178.500 177.975 0.525 RESID 36 (L): CA 57.720 57.720 57.802 -0.082 RESID 36 (L): CB 42.230 42.230 41.576 0.654 RESID 36 (L): H 8.508 8.508 7.222 1.286 RESID 37 (A): N 120.200 120.200 121.844 -1.644 RESID 37 (A): C 178.600 178.600 179.524 -0.924 RESID 37 (A): CA 55.170 55.170 55.323 -0.153 RESID 37 (A): CB 17.340 17.340 18.428 -1.088 RESID 37 (A): H 8.383 8.383 7.632 0.751 RESID 38 (K): N 116.400 116.400 119.244 -2.844 RESID 38 (K): C 180.100 180.100 179.162 0.938 RESID 38 (K): CA 60.530 60.530 60.053 0.477 RESID 38 (K): CB 31.840 31.840 32.334 -0.494 RESID 38 (K): H 8.780 8.780 8.098 0.682 RESID 39 (E): N 121.500 121.500 119.329 2.171 RESID 39 (E): C 178.300 178.300 179.394 -1.094 RESID 39 (E): CA 58.430 58.430 59.327 -0.897 RESID 39 (E): CB 27.990 27.990 29.516 -1.526 RESID 39 (E): H 7.692 7.692 7.783 -0.091 RESID 40 (L): N 121.500 121.500 120.401 1.099 RESID 40 (L): C 178.700 178.700 178.835 -0.135 RESID 40 (L): CA 58.490 58.490 58.269 0.221 RESID 40 (L): CB 40.250 40.250 41.767 -1.517 RESID 40 (L): H 8.563 8.563 7.917 0.646 RESID 41 (C): N 115.700 115.700 118.498 -2.798 RESID 41 (C): C 175.800 175.800 177.477 -1.677 RESID 41 (C): CA 62.390 62.390 62.767 -0.377 RESID 41 (C): CB 46.860 46.860 25.449 21.411 RESID 41 (C): H 8.598 8.598 8.765 -0.167 RESID 42 (K): N 119.300 119.300 119.615 -0.315 RESID 42 (K): C 180.800 180.800 179.141 1.659 RESID 42 (K): CA 58.810 58.810 59.452 -0.642 RESID 42 (K): CB 31.430 31.430 32.358 -0.928 RESID 42 (K): H 7.490 7.490 8.084 -0.594 RESID 43 (R): N 119.500 119.500 118.019 1.481 RESID 43 (R): C 178.700 178.700 178.672 0.028 RESID 43 (R): CA 58.760 58.760 58.464 0.296 RESID 43 (R): CB 29.980 29.980 30.217 -0.237 RESID 43 (R): H 8.057 8.057 7.537 0.520 RESID 44 (I): N 111.800 111.800 117.542 -5.742 RESID 44 (I): C 175.000 175.000 175.842 -0.842 RESID 44 (I): CA 60.940 60.940 63.111 -2.171 RESID 44 (I): CB 36.630 36.630 38.190 -1.560 RESID 44 (I): H 7.765 7.765 8.443 -0.678 RESID 45 (N): N 118.800 118.800 115.717 3.083 RESID 45 (N): C 173.600 173.600 173.938 -0.338 RESID 45 (N): CA 53.670 53.670 54.625 -0.955 RESID 45 (N): CB 36.620 36.620 35.922 0.698 RESID 45 (N): H 7.752 7.752 8.059 -0.307 RESID 46 (T): N 112.800 112.800 105.658 7.142 RESID 46 (T): C 173.100 173.100 172.806 0.294 RESID 46 (T): CA 60.020 60.020 60.303 -0.283 RESID 46 (T): CB 70.500 70.500 71.826 -1.326 RESID 46 (T): H 7.920 7.920 7.926 -0.006 RESID 47 (Q): N 123.500 123.500 119.953 3.547 RESID 47 (Q): C 175.400 175.400 174.582 0.818 RESID 47 (Q): CA 54.550 54.550 55.075 -0.525 RESID 47 (Q): CB 28.670 28.670 30.527 -1.857 RESID 47 (Q): H 8.037 8.037 8.326 -0.289 RESID 48 (C): N 123.800 123.800 124.434 -0.634 RESID 48 (C): C 173.800 173.800 174.407 -0.607 RESID 48 (C): CA 53.170 53.170 57.883 -4.713 RESID 48 (C): CB 47.290 47.290 29.266 18.024 RESID 48 (C): H 8.881 8.881 8.686 0.195 RESID 49 (T): N 118.600 118.600 120.691 -2.091 RESID 49 (T): C 172.700 172.700 172.560 0.140 RESID 49 (T): CA 60.210 60.210 61.244 -1.034 RESID 49 (T): CB 70.980 70.980 70.988 -0.008 RESID 49 (T): H 8.324 8.324 8.842 -0.518 RESID 50 (F): N 123.800 123.800 126.019 -2.219 RESID 50 (F): C 175.800 175.800 175.942 -0.142 RESID 50 (F): CA 57.370 57.370 57.375 -0.005 RESID 50 (F): CB 40.730 40.730 40.260 0.470 RESID 50 (F): H 8.982 8.982 8.632 0.350 RESID 51 (V): N 126.300 126.300 123.786 2.514 RESID 51 (V): C 174.700 174.700 174.731 -0.031 RESID 51 (V): CA 60.650 60.650 60.667 -0.017 RESID 51 (V): CB 33.700 33.700 35.367 -1.667 RESID 51 (V): H 9.271 9.271 9.080 0.191 RESID 52 (E): N 126.900 126.900 129.001 -2.101 RESID 52 (E): C 176.900 176.900 175.247 1.653 RESID 52 (E): CA 54.480 54.480 57.289 -2.809 RESID 52 (E): CB 29.350 29.350 30.395 -1.045 RESID 52 (E): H 8.617 8.617 8.769 -0.152 RESID 53 (N): N 127.100 127.100 120.585 6.515 RESID 53 (N): C 170.600 170.600 172.416 -1.816 RESID 53 (N): CA 51.220 51.220 51.492 -0.272 RESID 53 (N): CB 43.980 43.980 38.287 5.693 RESID 53 (N): H 8.917 8.917 8.238 0.679 RESID 54 (P): C 178.600 178.600 178.809 -0.209 RESID 54 (P): CA 61.650 61.650 62.356 -0.706 RESID 54 (P): CB 31.460 31.460 32.895 -1.435 RESID 55 (L): N 124.200 124.200 123.967 0.233 RESID 55 (L): C 179.600 179.600 178.727 0.873 RESID 55 (L): CA 58.130 58.130 59.254 -1.124 RESID 55 (L): CB 41.470 41.470 41.338 0.132 RESID 55 (L): H 9.096 9.096 8.795 0.301 RESID 56 (D): N 115.400 115.400 119.030 -3.630 RESID 56 (D): C 176.500 176.500 177.332 -0.832 RESID 56 (D): CA 56.080 56.080 56.866 -0.786 RESID 56 (D): CB 39.640 39.640 40.172 -0.532 RESID 56 (D): H 8.651 8.651 8.535 0.116 RESID 57 (A): N 120.400 120.400 119.859 0.541 RESID 57 (A): C 180.000 180.000 178.803 1.197 RESID 57 (A): CA 51.440 51.440 53.539 -2.099 RESID 57 (A): CB 19.170 19.170 19.646 -0.476 RESID 57 (A): H 8.079 8.079 8.326 -0.247 RESID 58 (L): N 122.300 122.300 120.904 1.396 RESID 58 (L): C 177.800 177.800 178.821 -1.021 RESID 58 (L): CA 58.960 58.960 58.153 0.807 RESID 58 (L): CB 40.150 40.150 41.878 -1.728 RESID 58 (L): H 7.783 7.783 8.107 -0.324 RESID 59 (I): N 119.600 119.600 119.536 0.064 RESID 59 (I): C 176.400 176.400 175.150 1.250 RESID 59 (I): CA 68.170 68.170 66.536 1.634 RESID 59 (I): CB 33.980 33.980 34.682 -0.702 RESID 59 (I): H 9.094 9.094 7.742 1.352 RESID 60 (P): C 180.100 180.100 179.278 0.822 RESID 60 (P): CA 65.890 65.890 66.448 -0.558 RESID 60 (P): CB 29.980 29.980 31.204 -1.224 RESID 61 (S): N 114.800 114.800 114.706 0.094 RESID 61 (S): C 175.500 175.500 176.642 -1.142 RESID 61 (S): CA 62.170 62.170 62.217 -0.047 RESID 61 (S): H 7.865 7.865 8.214 -0.349 RESID 62 (L): N 126.200 126.200 123.343 2.857 RESID 62 (L): C 181.000 181.000 179.098 1.902 RESID 62 (L): CA 57.400 57.400 57.690 -0.290 RESID 62 (L): CB 41.820 41.820 41.768 0.052 RESID 62 (L): H 8.296 8.296 8.238 0.058 RESID 63 (K): N 121.000 121.000 119.030 1.970 RESID 63 (K): C 178.000 178.000 177.936 0.064 RESID 63 (K): CA 59.500 59.500 59.175 0.325 RESID 63 (K): CB 30.770 30.770 32.466 -1.696 RESID 63 (K): H 8.461 8.461 7.758 0.703 RESID 64 (A): N 118.700 118.700 118.666 0.034 RESID 64 (A): C 176.200 176.200 176.673 -0.473 RESID 64 (A): CA 51.680 51.680 51.968 -0.288 RESID 64 (A): CB 18.140 18.140 18.562 -0.422 RESID 64 (A): H 7.686 7.686 7.947 -0.261 RESID 65 (K): N 112.200 112.200 114.042 -1.842 RESID 65 (K): C 176.000 176.000 176.461 -0.461 RESID 65 (K): CA 57.800 57.800 57.979 -0.179 RESID 65 (K): CB 27.730 27.730 29.910 -2.180 RESID 65 (K): H 7.751 7.751 7.673 0.078 RESID 66 (K): N 118.300 118.300 115.386 2.914 RESID 66 (K): C 176.600 176.600 177.123 -0.523 RESID 66 (K): CA 57.200 57.200 58.448 -1.248 RESID 66 (K): CB 32.170 32.170 33.008 -0.838 RESID 66 (K): H 8.415 8.415 7.763 0.652 RESID 67 (I): N 107.500 107.500 112.520 -5.020 RESID 67 (I): C 174.000 174.000 175.393 -1.393 RESID 67 (I): CA 59.050 59.050 59.045 0.005 RESID 67 (I): CB 40.470 40.470 41.029 -0.559 RESID 67 (I): H 7.034 7.034 7.232 -0.198 RESID 68 (D): N 119.000 119.000 122.059 -3.059 RESID 68 (D): C 172.200 172.200 175.788 -3.588 RESID 68 (D): CA 55.560 55.560 55.359 0.201 RESID 68 (D): CB 44.210 44.210 42.581 1.629 RESID 68 (D): H 9.739 9.739 8.520 1.219 RESID 69 (A): N 117.400 117.400 118.118 -0.718 RESID 69 (A): C 175.900 175.900 174.842 1.058 RESID 69 (A): CA 50.120 50.120 51.145 -1.025 RESID 69 (A): CB 21.960 21.960 22.163 -0.203 RESID 69 (A): H 7.660 7.660 7.697 -0.037 RESID 70 (I): N 120.500 120.500 120.896 -0.396 RESID 70 (I): C 174.500 174.500 174.460 0.040 RESID 70 (I): CA 60.060 60.060 60.646 -0.586 RESID 70 (I): CB 41.190 41.190 40.924 0.266 RESID 70 (I): H 9.402 9.402 8.061 1.341 RESID 71 (M): N 128.300 128.300 129.362 -1.062 RESID 71 (M): C 172.500 172.500 173.887 -1.387 RESID 71 (M): CA 53.040 53.040 55.014 -1.974 RESID 71 (M): CB 33.940 33.940 34.006 -0.066 RESID 71 (M): H 8.431 8.431 8.212 0.219 RESID 72 (S): N 122.700 122.700 120.214 2.486 RESID 72 (S): C 172.800 172.800 174.087 -1.287 RESID 72 (S): CA 57.630 57.630 56.568 1.062 RESID 72 (S): CB 64.590 64.590 65.091 -0.501 RESID 72 (S): H 8.717 8.717 8.582 0.135 RESID 73 (S): N 120.600 120.600 115.581 5.019 RESID 73 (S): C 174.900 174.900 174.827 0.073 RESID 73 (S): CA 58.590 58.590 59.587 -0.997 RESID 73 (S): CB 62.920 62.920 62.837 0.082 RESID 73 (S): H 8.570 8.570 8.640 -0.070 RESID 74 (L): N 120.700 120.700 124.101 -3.401 RESID 74 (L): C 175.300 175.300 175.970 -0.670 RESID 74 (L): CA 54.320 54.320 55.589 -1.269 RESID 74 (L): CB 42.350 42.350 42.820 -0.470 RESID 74 (L): H 8.678 8.678 7.425 1.253 RESID 75 (S): N 122.000 122.000 119.837 2.163 RESID 75 (S): C 174.500 174.500 173.705 0.795 RESID 75 (S): CA 59.250 59.250 56.969 2.281 RESID 75 (S): CB 63.060 63.060 64.689 -1.629 RESID 75 (S): H 8.142 8.142 7.880 0.262 RESID 76 (I): N 125.200 125.200 115.874 9.326 RESID 76 (I): C 175.500 175.500 174.563 0.937 RESID 76 (I): CA 61.340 61.340 59.624 1.716 RESID 76 (I): CB 35.790 35.790 39.601 -3.811 RESID 76 (I): H 8.307 8.307 8.261 0.046 RESID 77 (T): N 116.600 116.600 113.648 2.952 RESID 77 (T): C 174.800 174.800 175.079 -0.279 RESID 77 (T): CA 57.760 57.760 59.960 -2.200 RESID 77 (T): CB 71.570 71.570 72.307 -0.737 RESID 77 (T): H 6.513 6.513 7.529 -1.016 RESID 78 (E): N 124.500 124.500 124.941 -0.441 RESID 78 (E): C 179.500 179.500 177.876 1.624 RESID 78 (E): CA 59.140 59.140 60.871 -1.731 RESID 78 (E): CB 28.630 28.630 29.265 -0.635 RESID 78 (E): H 8.935 8.935 8.911 0.024 RESID 79 (K): N 118.400 118.400 118.350 0.050 RESID 79 (K): C 180.600 180.600 179.048 1.552 RESID 79 (K): CA 58.890 58.890 59.194 -0.304 RESID 79 (K): CB 31.610 31.610 32.297 -0.687 RESID 79 (K): H 8.415 8.415 8.360 0.055 RESID 80 (R): N 118.500 118.500 118.820 -0.320 RESID 80 (R): C 179.100 179.100 178.958 0.142 RESID 80 (R): CA 59.580 59.580 59.214 0.366 RESID 80 (R): CB 30.380 30.380 30.072 0.308 RESID 80 (R): H 7.678 7.678 7.401 0.277 RESID 81 (Q): N 119.000 119.000 119.643 -0.643 RESID 81 (Q): C 176.600 176.600 178.921 -2.321 RESID 81 (Q): CA 57.510 57.510 58.930 -1.420 RESID 81 (Q): CB 28.880 28.880 28.572 0.308 RESID 81 (Q): H 8.418 8.418 8.270 0.148 RESID 82 (Q): N 115.300 115.300 117.709 -2.409 RESID 82 (Q): C 177.400 177.400 177.818 -0.418 RESID 82 (Q): CA 57.280 57.280 58.346 -1.066 RESID 82 (Q): CB 27.950 27.950 28.515 -0.565 RESID 82 (Q): H 7.297 7.297 7.936 -0.639 RESID 83 (E): N 115.600 115.600 117.687 -2.087 RESID 83 (E): C 176.400 176.400 177.292 -0.892 RESID 83 (E): CA 56.950 56.950 58.347 -1.397 RESID 83 (E): CB 33.090 33.090 31.218 1.872 RESID 83 (E): H 7.627 7.627 7.928 -0.301 RESID 84 (I): N 115.100 115.100 111.833 3.267 RESID 84 (I): C 172.600 172.600 173.919 -1.319 RESID 84 (I): CA 59.380 59.380 58.917 0.463 RESID 84 (I): CB 40.830 40.830 41.514 -0.684 RESID 84 (I): H 8.275 8.275 7.991 0.284 RESID 85 (A): N 120.600 120.600 120.380 0.220 RESID 85 (A): C 175.000 175.000 175.236 -0.236 RESID 85 (A): CA 49.150 49.150 50.252 -1.102 RESID 85 (A): CB 22.280 22.280 21.457 0.823 RESID 85 (A): H 8.679 8.679 8.429 0.250 RESID 86 (F): N 115.500 115.500 118.983 -3.483 RESID 86 (F): C 178.800 178.800 175.857 2.943 RESID 86 (F): CA 55.850 55.850 56.808 -0.958 RESID 86 (F): CB 44.300 44.300 44.048 0.252 RESID 86 (F): H 8.283 8.283 8.614 -0.331 RESID 87 (T): N 108.200 108.200 114.882 -6.682 RESID 87 (T): C 174.700 174.700 173.811 0.889 RESID 87 (T): CA 61.930 61.930 61.110 0.820 RESID 87 (T): CB 72.740 72.740 70.101 2.639 RESID 87 (T): H 7.898 7.898 8.348 -0.450 RESID 88 (D): N 118.400 118.400 120.583 -2.183 RESID 88 (D): C 174.300 174.300 175.739 -1.439 RESID 88 (D): CA 55.030 55.030 55.818 -0.788 RESID 88 (D): CB 40.870 40.870 39.843 1.028 RESID 88 (D): H 8.789 8.789 8.824 -0.035 RESID 89 (K): N 118.100 118.100 116.751 1.349 RESID 89 (K): C 176.200 176.200 176.842 -0.642 RESID 89 (K): CA 55.570 55.570 57.236 -1.665 RESID 89 (K): CB 31.850 31.850 31.507 0.343 RESID 89 (K): H 7.666 7.666 7.719 -0.053 RESID 90 (L): N 123.400 123.400 124.151 -0.751 RESID 90 (L): C 178.000 178.000 177.676 0.324 RESID 90 (L): CA 54.450 54.450 57.173 -2.723 RESID 90 (L): CB 41.710 41.710 43.076 -1.366 RESID 90 (L): H 8.778 8.778 8.548 0.230 RESID 91 (Y): N 110.500 110.500 111.256 -0.756 RESID 91 (Y): C 172.600 172.600 173.301 -0.701 RESID 91 (Y): CA 56.070 56.070 56.207 -0.137 RESID 91 (Y): CB 37.670 37.670 40.365 -2.695 RESID 91 (Y): H 6.810 6.810 7.259 -0.449 RESID 92 (A): N 123.100 123.100 122.396 0.704 RESID 92 (A): C 175.600 175.600 176.665 -1.065 RESID 92 (A): CA 51.940 51.940 51.022 0.918 RESID 92 (A): CB 20.320 20.320 19.585 0.735 RESID 92 (A): H 8.135 8.135 9.080 -0.945 RESID 93 (A): N 127.000 127.000 127.740 -0.740 RESID 93 (A): C 175.700 175.700 176.635 -0.935 RESID 93 (A): CA 51.020 51.020 50.610 0.410 RESID 93 (A): CB 18.310 18.310 18.317 -0.007 RESID 93 (A): H 8.658 8.658 8.258 0.400 RESID 94 (D): N 122.900 122.900 121.633 1.267 RESID 94 (D): C 175.300 175.300 176.114 -0.814 RESID 94 (D): CA 53.910 53.910 55.137 -1.227 RESID 94 (D): CB 42.030 42.030 42.253 -0.223 RESID 94 (D): H 8.497 8.497 7.729 0.768 RESID 95 (S): N 110.300 110.300 112.203 -1.903 RESID 95 (S): C 171.600 171.600 173.066 -1.466 RESID 95 (S): CA 57.850 57.850 57.426 0.424 RESID 95 (S): CB 66.410 66.410 66.509 -0.099 RESID 95 (S): H 6.844 6.844 7.884 -1.040 RESID 96 (R): N 124.300 124.300 119.780 4.520 RESID 96 (R): C 173.700 173.700 173.877 -0.177 RESID 96 (R): CA 57.450 57.450 55.892 1.558 RESID 96 (R): CB 34.070 34.070 34.356 -0.286 RESID 96 (R): H 9.227 9.227 8.847 0.380 RESID 97 (L): N 124.100 124.100 125.146 -1.046 RESID 97 (L): C 177.600 177.600 175.930 1.670 RESID 97 (L): CA 54.150 54.150 53.814 0.336 RESID 97 (L): CB 42.640 42.640 44.367 -1.727 RESID 97 (L): H 9.343 9.343 8.051 1.292 RESID 98 (V): N 124.500 124.500 123.653 0.847 RESID 98 (V): C 175.700 175.700 175.016 0.684 RESID 98 (V): CA 61.770 61.770 60.857 0.913 RESID 98 (V): CB 32.950 32.950 32.480 0.470 RESID 98 (V): H 9.500 9.500 8.042 1.458 RESID 99 (V): N 116.800 116.800 122.214 -5.414 RESID 99 (V): C 174.600 174.600 173.878 0.722 RESID 99 (V): CA 58.190 58.190 58.470 -0.280 RESID 99 (V): CB 36.780 36.780 35.532 1.248 RESID 99 (V): H 9.192 9.192 8.160 1.032 RESID 100 (A): N 123.400 123.400 122.614 0.786 RESID 100 (A): C 179.200 179.200 178.449 0.751 RESID 100 (A): CA 52.690 52.690 50.657 2.033 RESID 100 (A): CB 18.160 18.160 19.994 -1.834 RESID 100 (A): H 9.043 9.043 8.373 0.670 RESID 101 (K): N 119.600 119.600 123.611 -4.011 RESID 101 (K): C 176.800 176.800 177.031 -0.231 RESID 101 (K): CA 59.360 59.360 58.970 0.390 RESID 101 (K): CB 31.380 31.380 31.886 -0.506 RESID 101 (K): H 7.840 7.840 8.908 -1.068 RESID 102 (N): N 114.400 114.400 115.524 -1.124 RESID 102 (N): C 175.500 175.500 175.244 0.256 RESID 102 (N): CA 52.330 52.330 54.639 -2.309 RESID 102 (N): CB 36.990 36.990 38.608 -1.618 RESID 102 (N): H 7.941 7.941 8.195 -0.254 RESID 103 (S): N 114.800 114.800 114.679 0.121 RESID 103 (S): C 176.000 176.000 173.284 2.716 RESID 103 (S): CA 58.180 58.180 57.506 0.674 RESID 103 (S): CB 64.310 64.310 63.908 0.402 RESID 103 (S): H 7.700 7.700 7.592 0.108 RESID 104 (D): N 128.500 128.500 129.301 -0.801 RESID 104 (D): C 176.700 176.700 175.180 1.520 RESID 104 (D): CA 52.990 52.990 54.017 -1.027 RESID 104 (D): CB 40.330 40.330 40.873 -0.542 RESID 104 (D): H 8.548 8.548 8.540 0.008 RESID 105 (I): N 122.800 122.800 124.583 -1.783 RESID 105 (I): C 173.800 173.800 174.588 -0.788 RESID 105 (I): CA 63.580 63.580 60.620 2.960 RESID 105 (I): CB 37.490 37.490 40.460 -2.970 RESID 105 (I): H 7.826 7.826 8.193 -0.367 RESID 106 (Q): N 124.600 124.600 125.010 -0.410 RESID 106 (Q): C 174.700 174.700 173.840 0.860 RESID 106 (Q): CA 51.380 51.380 52.112 -0.732 RESID 106 (Q): CB 31.050 31.050 29.901 1.149 RESID 106 (Q): H 8.174 8.174 8.500 -0.326 RESID 107 (P): C 175.300 175.300 175.794 -0.494 RESID 107 (P): CA 61.880 61.880 63.661 -1.781 RESID 107 (P): CB 26.860 26.860 31.029 -4.169 RESID 108 (T): N 114.600 114.600 117.720 -3.120 RESID 108 (T): C 174.000 174.000 174.382 -0.382 RESID 108 (T): CA 57.690 57.690 61.628 -3.938 RESID 108 (T): CB 71.020 71.020 71.966 -0.946 RESID 108 (T): H 8.531 8.531 7.667 0.864 RESID 109 (V): N 121.800 121.800 123.240 -1.440 RESID 109 (V): C 177.300 177.300 176.940 0.360 RESID 109 (V): CA 65.600 65.600 64.752 0.848 RESID 109 (V): CB 30.580 30.580 32.768 -2.188 RESID 109 (V): H 8.775 8.775 8.483 0.292 RESID 110 (E): N 116.900 116.900 120.836 -3.936 RESID 110 (E): C 178.400 178.400 178.719 -0.319 RESID 110 (E): CA 59.260 59.260 60.137 -0.877 RESID 110 (E): CB 28.170 28.170 29.063 -0.893 RESID 110 (E): H 8.414 8.414 8.401 0.013 RESID 111 (S): N 113.200 113.200 113.323 -0.123 RESID 111 (S): C 176.500 176.500 175.942 0.558 RESID 111 (S): CA 59.370 59.370 60.986 -1.616 RESID 111 (S): CB 63.730 63.730 62.548 1.182 RESID 111 (S): H 7.387 7.387 8.444 -1.058 RESID 112 (L): N 116.100 116.100 120.269 -4.169 RESID 112 (L): C 176.700 176.700 176.672 0.028 RESID 112 (L): CA 54.580 54.580 55.439 -0.859 RESID 112 (L): CB 42.650 42.650 42.558 0.092 RESID 112 (L): H 7.676 7.676 7.328 0.348 RESID 113 (K): N 121.000 121.000 119.152 1.848 RESID 113 (K): C 178.200 178.200 177.499 0.701 RESID 113 (K): CA 58.850 58.850 58.242 0.608 RESID 113 (K): CB 30.850 30.850 32.257 -1.407 RESID 113 (K): H 7.445 7.445 7.726 -0.281 RESID 114 (G): N 113.900 113.900 112.913 0.987 RESID 114 (G): C 174.200 174.200 174.799 -0.599 RESID 114 (G): CA 45.240 45.240 45.338 -0.098 RESID 114 (G): H 8.454 8.454 8.351 0.103 RESID 115 (K): N 120.600 120.600 121.764 -1.164 RESID 115 (K): C 174.800 174.800 176.103 -1.303 RESID 115 (K): CA 53.710 53.710 54.769 -1.059 RESID 115 (K): CB 31.990 31.990 33.287 -1.297 RESID 115 (K): H 8.530 8.530 7.876 0.654 RESID 116 (R): N 119.300 119.300 120.749 -1.449 RESID 116 (R): C 176.000 176.000 175.699 0.301 RESID 116 (R): CA 54.720 54.720 55.678 -0.958 RESID 116 (R): CB 32.310 32.310 31.773 0.537 RESID 116 (R): H 9.455 9.455 8.419 1.036 RESID 117 (V): N 126.100 126.100 122.915 3.185 RESID 117 (V): C 175.300 175.300 174.708 0.592 RESID 117 (V): CA 60.090 60.090 60.183 -0.093 RESID 117 (V): CB 33.620 33.620 36.005 -2.385 RESID 117 (V): H 9.217 9.217 8.582 0.635 RESID 118 (G): N 114.000 114.000 113.317 0.683 RESID 118 (G): C 172.300 172.300 172.563 -0.263 RESID 118 (G): CA 45.010 45.010 43.520 1.490 RESID 118 (G): H 9.367 9.367 8.028 1.339 RESID 119 (V): N 116.400 116.400 122.109 -5.709 RESID 119 (V): C 174.100 174.100 173.989 0.111 RESID 119 (V): CA 58.270 58.270 60.443 -2.173 RESID 119 (V): CB 36.370 36.370 37.017 -0.647 RESID 119 (V): H 9.166 9.166 9.319 -0.153 RESID 120 (L): N 124.400 124.400 124.110 0.290 RESID 120 (L): C 176.900 176.900 175.687 1.213 RESID 120 (L): CA 53.690 53.690 53.947 -0.257 RESID 120 (L): CB 41.240 41.240 42.710 -1.470 RESID 120 (L): H 8.961 8.961 8.833 0.128 RESID 121 (Q): N 128.000 128.000 127.177 0.823 RESID 121 (Q): C 176.900 176.900 177.255 -0.355 RESID 121 (Q): CA 56.680 56.680 57.072 -0.392 RESID 121 (Q): CB 27.920 27.920 29.525 -1.605 RESID 121 (Q): H 9.305 9.305 8.999 0.306 RESID 122 (G): N 113.600 113.600 113.525 0.075 RESID 122 (G): C 175.100 175.100 173.545 1.555 RESID 122 (G): CA 45.240 45.240 45.469 -0.229 RESID 122 (G): H 9.383 9.383 8.824 0.559 RESID 123 (T): N 108.400 108.400 110.071 -1.671 RESID 123 (T): C 176.800 176.800 174.427 2.373 RESID 123 (T): CA 60.260 60.260 59.985 0.275 RESID 123 (T): CB 73.530 73.530 70.670 2.860 RESID 123 (T): H 7.220 7.220 7.730 -0.510 RESID 124 (T): N 113.900 113.900 112.520 1.380 RESID 124 (T): C 178.100 178.100 176.519 1.581 RESID 124 (T): CA 63.990 63.990 64.623 -0.633 RESID 124 (T): CB 67.740 67.740 68.727 -0.987 RESID 124 (T): H 8.934 8.934 8.665 0.269 RESID 125 (Q): N 120.600 120.600 122.439 -1.839 RESID 125 (Q): C 178.300 178.300 178.074 0.226 RESID 125 (Q): CA 61.670 61.670 59.772 1.898 RESID 125 (Q): CB 25.310 25.310 28.050 -2.740 RESID 125 (Q): H 7.521 7.521 8.269 -0.748 RESID 126 (E): N 121.900 121.900 119.758 2.142 RESID 126 (E): C 177.600 177.600 178.893 -1.293 RESID 126 (E): CA 59.630 59.630 59.827 -0.197 RESID 126 (E): CB 28.730 28.730 29.633 -0.903 RESID 126 (E): H 7.717 7.717 7.817 -0.100 RESID 127 (T): N 117.800 117.800 116.196 1.604 RESID 127 (T): C 176.200 176.200 176.351 -0.151 RESID 127 (T): CA 66.340 66.340 66.827 -0.487 RESID 127 (T): CB 67.590 67.590 68.731 -1.141 RESID 127 (T): H 8.175 8.175 7.611 0.564 RESID 128 (F): N 121.900 121.900 121.952 -0.052 RESID 128 (F): C 178.000 178.000 177.529 0.471 RESID 128 (F): CA 61.590 61.590 60.700 0.890 RESID 128 (F): CB 38.810 38.810 38.932 -0.122 RESID 128 (F): H 8.882 8.882 8.583 0.299 RESID 129 (G): N 107.000 107.000 107.138 -0.138 RESID 129 (G): C 176.100 176.100 176.473 -0.373 RESID 129 (G): CA 46.690 46.690 47.221 -0.531 RESID 129 (G): H 8.900 8.900 9.163 -0.263 RESID 130 (N): N 123.000 123.000 118.448 4.552 RESID 130 (N): C 176.200 176.200 175.834 0.366 RESID 130 (N): CA 55.400 55.400 55.334 0.066 RESID 130 (N): CB 37.570 37.570 38.195 -0.625 RESID 130 (N): H 8.915 8.915 8.555 0.360 RESID 131 (E): N 119.000 119.000 116.747 2.253 RESID 131 (E): C 177.900 177.900 177.101 0.799 RESID 131 (E): CA 57.940 57.940 56.704 1.236 RESID 131 (E): CB 29.350 29.350 30.757 -1.407 RESID 131 (E): H 7.907 7.907 7.492 0.415 RESID 132 (H): N 112.600 112.600 118.650 -6.050 RESID 132 (H): C 175.900 175.900 175.556 0.344 RESID 132 (H): CA 56.910 56.910 58.793 -1.883 RESID 132 (H): CB 30.510 30.510 29.787 0.723 RESID 132 (H): H 7.877 7.877 7.880 -0.003 RESID 133 (W): N 119.300 119.300 117.423 1.877 RESID 133 (W): C 176.800 176.800 176.192 0.608 RESID 133 (W): CA 55.570 55.570 56.547 -0.977 RESID 133 (W): CB 30.400 30.400 29.726 0.674 RESID 133 (W): H 7.653 7.653 7.504 0.149 RESID 134 (A): N 125.400 125.400 124.649 0.751 RESID 134 (A): C 177.700 177.700 177.225 0.475 RESID 134 (A): CA 55.410 55.410 54.655 0.755 RESID 134 (A): CB 15.990 15.990 16.791 -0.801 RESID 134 (A): H 8.711 8.711 7.534 1.177 RESID 135 (P): C 177.200 177.200 177.241 -0.041 RESID 135 (P): CA 64.510 64.510 64.566 -0.056 RESID 135 (P): CB 30.800 30.800 30.983 -0.183 RESID 136 (K): N 115.800 115.800 116.458 -0.658 RESID 136 (K): C 176.500 176.500 177.555 -1.055 RESID 136 (K): CA 53.530 53.530 55.887 -2.357 RESID 136 (K): CB 31.430 31.430 31.874 -0.444 RESID 136 (K): H 7.665 7.665 8.106 -0.441 RESID 137 (G): N 106.100 106.100 108.347 -2.247 RESID 137 (G): C 174.300 174.300 173.537 0.763 RESID 137 (G): CA 45.740 45.740 45.373 0.367 RESID 137 (G): H 7.864 7.864 7.664 0.200 RESID 138 (I): N 124.400 124.400 119.391 5.009 RESID 138 (I): C 174.400 174.400 174.771 -0.371 RESID 138 (I): CA 60.460 60.460 60.126 0.334 RESID 138 (I): CB 38.080 38.080 39.793 -1.713 RESID 138 (I): H 6.889 6.889 7.476 -0.587 RESID 139 (E): N 128.400 128.400 127.240 1.160 RESID 139 (E): C 173.900 173.900 175.090 -1.190 RESID 139 (E): CA 56.050 56.050 55.600 0.450 RESID 139 (E): CB 29.490 29.490 31.226 -1.736 RESID 139 (E): H 8.230 8.230 8.328 -0.098 RESID 140 (I): N 129.500 129.500 121.570 7.930 RESID 140 (I): C 176.100 176.100 174.714 1.386 RESID 140 (I): CA 57.100 57.100 59.023 -1.923 RESID 140 (I): CB 34.440 34.440 40.649 -6.209 RESID 140 (I): H 8.642 8.642 8.349 0.293 RESID 141 (V): N 133.000 133.000 125.036 7.964 RESID 141 (V): C 174.400 174.400 174.440 -0.040 RESID 141 (V): CA 61.060 61.060 61.140 -0.080 RESID 141 (V): CB 32.410 32.410 36.314 -3.904 RESID 141 (V): H 9.387 9.387 9.117 0.270 RESID 142 (S): N 122.900 122.900 120.201 2.699 RESID 142 (S): C 175.000 175.000 173.592 1.408 RESID 142 (S): CA 57.710 57.710 57.049 0.661 RESID 142 (S): CB 63.710 63.710 63.874 -0.164 RESID 142 (S): H 8.490 8.490 8.356 0.134 RESID 143 (Y): N 123.400 123.400 125.866 -2.466 RESID 143 (Y): C 175.900 175.900 176.418 -0.518 RESID 143 (Y): CA 57.300 57.300 57.655 -0.355 RESID 143 (Y): CB 42.300 42.300 41.404 0.896 RESID 143 (Y): H 8.979 8.979 9.332 -0.353 RESID 144 (Q): N 119.500 119.500 119.711 -0.211 RESID 144 (Q): C 176.000 176.000 174.969 1.031 RESID 144 (Q): CA 56.490 56.490 55.903 0.587 RESID 144 (Q): CB 28.470 28.470 29.916 -1.446 RESID 144 (Q): H 8.974 8.974 8.733 0.241 RESID 145 (G): N 106.800 106.800 107.312 -0.512 RESID 145 (G): C 173.500 173.500 174.160 -0.660 RESID 145 (G): CA 44.300 44.300 44.292 0.008 RESID 145 (G): H 7.531 7.531 7.860 -0.329 RESID 146 (Q): N 124.300 124.300 122.883 1.417 RESID 146 (Q): C 177.200 177.200 177.357 -0.157 RESID 146 (Q): CA 57.800 57.800 58.830 -1.030 RESID 146 (Q): CB 28.190 28.190 28.640 -0.449 RESID 146 (Q): H 8.949 8.949 8.867 0.082 RESID 147 (D): N 117.900 117.900 118.405 -0.505 RESID 147 (D): C 178.900 178.900 178.469 0.431 RESID 147 (D): CA 56.650 56.650 56.833 -0.183 RESID 147 (D): CB 38.890 38.890 39.744 -0.854 RESID 147 (D): H 8.746 8.746 8.784 -0.038 RESID 148 (N): N 117.500 117.500 117.818 -0.318 RESID 148 (N): C 176.700 176.700 177.337 -0.637 RESID 148 (N): CA 55.160 55.160 55.620 -0.459 RESID 148 (N): CB 38.700 38.700 38.097 0.603 RESID 148 (N): H 7.496 7.496 8.562 -1.066 RESID 149 (I): N 120.000 120.000 119.880 0.120 RESID 149 (I): C 177.400 177.400 177.524 -0.124 RESID 149 (I): CA 64.450 64.450 65.051 -0.601 RESID 149 (I): CB 35.900 35.900 37.594 -1.694 RESID 149 (I): H 6.793 6.793 7.176 -0.383 RESID 150 (Y): N 117.400 117.400 118.190 -0.790 RESID 150 (Y): C 178.800 178.800 178.067 0.733 RESID 150 (Y): CA 59.730 59.730 61.650 -1.920 RESID 150 (Y): CB 35.970 35.970 37.653 -1.683 RESID 150 (Y): H 6.897 6.897 7.383 -0.486 RESID 151 (S): N 117.000 117.000 114.905 2.095 RESID 151 (S): C 177.000 177.000 177.019 -0.019 RESID 151 (S): CA 61.300 61.300 61.688 -0.388 RESID 151 (S): CB 62.100 62.100 62.216 -0.116 RESID 151 (S): H 8.186 8.186 8.264 -0.078 RESID 152 (D): N 122.300 122.300 123.232 -0.932 RESID 152 (D): C 179.000 179.000 178.347 0.653 RESID 152 (D): CA 56.580 56.580 56.868 -0.288 RESID 152 (D): CB 38.240 38.240 40.370 -2.130 RESID 152 (D): H 7.541 7.541 7.704 -0.163 RESID 153 (L): N 124.100 124.100 121.159 2.941 RESID 153 (L): C 180.300 180.300 178.554 1.746 RESID 153 (L): CA 58.160 58.160 57.546 0.614 RESID 153 (L): CB 41.630 41.630 41.831 -0.201 RESID 153 (L): H 8.372 8.372 7.836 0.536 RESID 154 (T): N 111.900 111.900 113.391 -1.491 RESID 154 (T): C 176.700 176.700 175.358 1.342 RESID 154 (T): CA 63.920 63.920 65.416 -1.496 RESID 154 (T): CB 68.700 68.700 68.991 -0.291 RESID 154 (T): H 8.389 8.389 8.305 0.084 RESID 155 (A): N 121.800 121.800 120.107 1.693 RESID 155 (A): C 178.200 178.200 178.046 0.154 RESID 155 (A): CA 51.640 51.640 52.321 -0.681 RESID 155 (A): CB 18.990 18.990 19.441 -0.451 RESID 155 (A): H 7.444 7.444 7.072 0.372 RESID 156 (G): N 107.800 107.800 107.105 0.695 RESID 156 (G): C 175.100 175.100 175.353 -0.253 RESID 156 (G): CA 45.420 45.420 45.169 0.251 RESID 156 (G): H 7.921 7.921 8.045 -0.124 RESID 157 (R): N 119.000 119.000 119.214 -0.214 RESID 157 (R): C 176.600 176.600 175.713 0.887 RESID 157 (R): CA 57.260 57.260 57.595 -0.335 RESID 157 (R): CB 30.400 30.400 30.766 -0.366 RESID 157 (R): H 8.443 8.443 8.127 0.316 RESID 158 (I): N 108.900 108.900 112.882 -3.982 RESID 158 (I): C 173.700 173.700 174.298 -0.598 RESID 158 (I): CA 59.900 59.900 59.211 0.689 RESID 158 (I): CB 40.070 40.070 41.055 -0.985 RESID 158 (I): H 7.109 7.109 7.121 -0.012 RESID 159 (D): N 119.100 119.100 123.862 -4.762 RESID 159 (D): C 174.700 174.700 175.650 -0.950 RESID 159 (D): CA 55.900 55.900 56.322 -0.422 RESID 159 (D): CB 43.630 43.630 41.701 1.929 RESID 159 (D): H 8.737 8.737 8.551 0.186 RESID 160 (A): N 116.400 116.400 116.452 -0.052 RESID 160 (A): C 174.900 174.900 174.319 0.581 RESID 160 (A): CA 50.190 50.190 51.494 -1.304 RESID 160 (A): CB 23.030 23.030 21.338 1.692 RESID 160 (A): H 7.702 7.702 7.164 0.538 RESID 161 (A): N 123.400 123.400 121.785 1.615 RESID 161 (A): C 175.500 175.500 175.683 -0.183 RESID 161 (A): CA 49.730 49.730 50.303 -0.573 RESID 161 (A): CB 21.110 21.110 21.603 -0.493 RESID 161 (A): H 8.915 8.915 7.991 0.924 RESID 162 (F): N 125.100 125.100 122.596 2.504 RESID 162 (F): C 172.900 172.900 175.005 -2.105 RESID 162 (F): CA 54.500 54.500 58.228 -3.728 RESID 162 (F): CB 39.400 39.400 38.806 0.595 RESID 162 (F): H 8.971 8.971 8.459 0.512 RESID 163 (Q): N 124.600 124.600 123.364 1.236 RESID 163 (Q): C 173.400 173.400 173.711 -0.311 RESID 163 (Q): CA 53.550 53.550 53.641 -0.091 RESID 163 (Q): CB 34.390 34.390 33.147 1.243 RESID 163 (Q): H 7.904 7.904 8.306 -0.402 RESID 164 (D): N 122.300 122.300 121.217 1.083 RESID 164 (D): C 175.800 175.800 177.258 -1.458 RESID 164 (D): CA 55.540 55.540 54.502 1.038 RESID 164 (D): CB 42.370 42.370 42.062 0.308 RESID 164 (D): H 8.304 8.304 8.453 -0.149 RESID 165 (E): N 128.600 128.600 122.795 5.805 RESID 165 (E): C 177.700 177.700 178.132 -0.432 RESID 165 (E): CA 60.230 60.230 60.134 0.096 RESID 165 (E): CB 30.020 30.020 29.840 0.180 RESID 165 (E): H 8.605 8.605 8.774 -0.169 RESID 166 (V): N 120.100 120.100 118.878 1.222 RESID 166 (V): C 178.300 178.300 177.305 0.995 RESID 166 (V): CA 66.800 66.800 66.722 0.078 RESID 166 (V): CB 30.070 30.070 30.287 -0.217 RESID 166 (V): H 8.748 8.748 8.225 0.523 RESID 167 (A): N 123.200 123.200 120.042 3.158 RESID 167 (A): C 182.500 182.500 179.092 3.408 RESID 167 (A): CA 54.980 54.980 54.716 0.264 RESID 167 (A): CB 17.910 17.910 18.051 -0.141 RESID 167 (A): H 8.655 8.655 7.963 0.692 RESID 168 (A): N 121.300 121.300 122.186 -0.886 RESID 168 (A): C 179.800 179.800 179.724 0.076 RESID 168 (A): CA 54.180 54.180 54.551 -0.371 RESID 168 (A): CB 18.750 18.750 18.429 0.321 RESID 168 (A): H 8.349 8.349 7.870 0.479 RESID 169 (S): N 113.400 113.400 114.451 -1.051 RESID 169 (S): C 175.700 175.700 176.179 -0.479 RESID 169 (S): CA 61.050 61.050 62.570 -1.520 RESID 169 (S): CB 63.050 63.050 62.657 0.392 RESID 169 (S): H 8.058 8.058 8.145 -0.087 RESID 170 (E): N 115.600 115.600 120.377 -4.777 RESID 170 (E): C 178.800 178.800 177.383 1.417 RESID 170 (E): CA 57.610 57.610 58.095 -0.485 RESID 170 (E): CB 29.790 29.790 29.048 0.742 RESID 170 (E): H 8.824 8.824 7.839 0.985 RESID 171 (G): N 103.400 103.400 104.864 -1.464 RESID 171 (G): C 173.700 173.700 175.007 -1.307 RESID 171 (G): CA 44.970 44.970 45.258 -0.288 RESID 171 (G): H 8.154 8.154 7.329 0.825 RESID 172 (F): N 120.100 120.100 122.511 -2.411 RESID 172 (F): C 175.200 175.200 177.696 -2.496 RESID 172 (F): CA 60.690 60.690 61.165 -0.475 RESID 172 (F): CB 40.740 40.740 39.092 1.648 RESID 172 (F): H 7.297 7.297 8.373 -1.076 RESID 173 (L): N 117.800 117.800 117.802 -0.002 RESID 173 (L): C 179.000 179.000 178.309 0.691 RESID 173 (L): CA 57.670 57.670 56.871 0.799 RESID 173 (L): CB 40.020 40.020 41.851 -1.831 RESID 173 (L): H 8.470 8.470 7.529 0.941 RESID 174 (K): N 114.600 114.600 116.425 -1.825 RESID 174 (K): C 176.900 176.900 176.409 0.491 RESID 174 (K): CA 56.450 56.450 57.306 -0.856 RESID 174 (K): CB 31.770 31.770 32.650 -0.880 RESID 174 (K): H 8.018 8.018 7.595 0.423 RESID 175 (Q): N 118.800 118.800 116.824 1.976 RESID 175 (Q): C 176.000 176.000 173.996 2.004 RESID 175 (Q): CA 52.510 52.510 52.245 0.265 RESID 175 (Q): CB 26.740 26.740 29.825 -3.085 RESID 175 (Q): H 7.151 7.151 7.285 -0.134 RESID 176 (P): C 179.300 179.300 177.467 1.833 RESID 176 (P): CA 66.100 66.100 65.419 0.681 RESID 176 (P): CB 30.720 30.720 31.587 -0.867 RESID 177 (V): N 112.300 112.300 117.008 -4.708 RESID 177 (V): C 175.900 175.900 177.960 -2.060 RESID 177 (V): CA 62.860 62.860 66.068 -3.208 RESID 177 (V): CB 30.660 30.660 30.626 0.034 RESID 177 (V): H 7.480 7.480 7.795 -0.315 RESID 178 (G): N 109.700 109.700 105.594 4.106 RESID 178 (G): C 175.000 175.000 174.828 0.172 RESID 178 (G): CA 44.080 44.080 46.153 -2.073 RESID 178 (G): H 7.173 7.173 7.662 -0.489 RESID 179 (K): N 120.900 120.900 119.164 1.736 RESID 179 (K): C 177.100 177.100 177.650 -0.550 RESID 179 (K): CA 58.360 58.360 58.457 -0.097 RESID 179 (K): CB 31.260 31.260 32.310 -1.050 RESID 179 (K): H 6.972 6.972 7.254 -0.282 RESID 180 (D): N 117.200 117.200 117.079 0.121 RESID 180 (D): C 173.900 173.900 175.825 -1.925 RESID 180 (D): CA 53.920 53.920 55.878 -1.958 RESID 180 (D): CB 39.690 39.690 41.258 -1.568 RESID 180 (D): H 8.036 8.036 7.551 0.485 RESID 181 (Y): N 120.500 120.500 114.942 5.558 RESID 181 (Y): C 172.300 172.300 173.462 -1.162 RESID 181 (Y): CA 57.890 57.890 57.712 0.178 RESID 181 (Y): CB 41.860 41.860 42.295 -0.435 RESID 181 (Y): H 7.768 7.768 7.395 0.373 RESID 182 (K): N 116.900 116.900 118.702 -1.802 RESID 182 (K): C 174.900 174.900 174.281 0.619 RESID 182 (K): CA 54.330 54.330 56.454 -2.124 RESID 182 (K): CB 35.610 35.610 33.330 2.280 RESID 182 (K): H 9.497 9.497 8.844 0.653 RESID 183 (F): N 117.900 117.900 122.192 -4.292 RESID 183 (F): C 177.800 177.800 174.992 2.808 RESID 183 (F): CA 56.780 56.780 58.096 -1.316 RESID 183 (F): CB 38.320 38.320 42.855 -4.535 RESID 183 (F): H 8.470 8.470 7.870 0.600 RESID 184 (G): N 113.700 113.700 109.378 4.322 RESID 184 (G): C 173.300 173.300 174.713 -1.413 RESID 184 (G): CA 46.900 46.900 45.015 1.885 RESID 184 (G): H 9.107 9.107 8.851 0.256 RESID 185 (G): N 111.000 111.000 110.212 0.788 RESID 185 (G): C 171.100 171.100 172.904 -1.804 RESID 185 (G): CA 44.530 44.530 45.566 -1.036 RESID 185 (G): H 7.702 7.702 8.482 -0.780 RESID 186 (P): C 175.500 175.500 176.207 -0.707 RESID 186 (P): CA 61.920 61.920 64.445 -2.525 RESID 186 (P): CB 32.640 32.640 31.845 0.795 RESID 187 (S): N 113.500 113.500 120.180 -6.680 RESID 187 (S): C 173.500 173.500 173.864 -0.364 RESID 187 (S): CA 57.930 57.930 57.462 0.468 RESID 187 (S): CB 63.260 63.260 65.674 -2.414 RESID 187 (S): H 8.452 8.452 8.329 0.123 RESID 188 (V): N 123.300 123.300 121.799 1.501 RESID 188 (V): C 173.900 173.900 173.635 0.265 RESID 188 (V): CA 61.800 61.800 62.323 -0.523 RESID 188 (V): CB 32.680 32.680 34.709 -2.029 RESID 188 (V): H 9.080 9.080 7.851 1.229 RESID 189 (K): N 125.200 125.200 122.455 2.745 RESID 189 (K): C 176.700 176.700 174.081 2.619 RESID 189 (K): CA 54.680 54.680 56.183 -1.503 RESID 189 (K): CB 33.780 33.780 34.722 -0.942 RESID 189 (K): H 8.123 8.123 8.141 -0.018 RESID 190 (D): N 120.300 120.300 122.100 -1.800 RESID 190 (D): C 175.300 175.300 176.883 -1.583 RESID 190 (D): CA 55.610 55.610 53.455 2.155 RESID 190 (D): CB 42.620 42.620 40.433 2.187 RESID 190 (D): H 8.823 8.823 8.300 0.523 RESID 191 (E): N 129.100 129.100 126.545 2.555 RESID 191 (E): C 177.300 177.300 177.495 -0.195 RESID 191 (E): CA 59.310 59.310 58.405 0.905 RESID 191 (E): CB 28.420 28.420 29.499 -1.079 RESID 191 (E): H 9.239 9.239 8.845 0.394 RESID 192 (K): N 118.000 118.000 119.304 -1.304 RESID 192 (K): C 178.200 178.200 178.029 0.171 RESID 192 (K): CA 58.140 58.140 58.921 -0.781 RESID 192 (K): CB 31.690 31.690 32.153 -0.463 RESID 192 (K): H 7.918 7.918 8.617 -0.699 RESID 193 (L): N 118.200 118.200 118.124 0.076 RESID 193 (L): C 177.700 177.700 177.724 -0.024 RESID 193 (L): CA 55.790 55.790 56.988 -1.198 RESID 193 (L): CB 42.330 42.330 42.086 0.244 RESID 193 (L): H 8.362 8.362 7.117 1.245 RESID 194 (F): N 116.800 116.800 113.487 3.313 RESID 194 (F): C 178.200 178.200 175.878 2.322 RESID 194 (F): CA 54.620 54.620 57.326 -2.706 RESID 194 (F): CB 37.390 37.390 39.609 -2.219 RESID 194 (F): H 8.036 8.036 7.322 0.714 RESID 195 (G): N 106.900 106.900 108.892 -1.992 RESID 195 (G): C 174.200 174.200 174.593 -0.393 RESID 195 (G): CA 44.120 44.120 44.958 -0.838 RESID 195 (G): H 7.510 7.510 7.635 -0.125 RESID 196 (V): N 112.400 112.400 123.979 -11.579 RESID 196 (V): C 175.300 175.300 175.819 -0.519 RESID 196 (V): CA 60.720 60.720 64.000 -3.280 RESID 196 (V): CB 30.630 30.630 32.149 -1.519 RESID 196 (V): H 8.064 8.064 8.328 -0.264 RESID 197 (G): N 108.100 108.100 105.310 2.790 RESID 197 (G): C 172.300 172.300 172.013 0.287 RESID 197 (G): CA 43.210 43.210 45.258 -2.047 RESID 197 (G): H 7.788 7.788 7.239 0.549 RESID 198 (T): N 109.200 109.200 113.729 -4.529 RESID 198 (T): C 172.800 172.800 173.229 -0.429 RESID 198 (T): CA 59.090 59.090 59.364 -0.274 RESID 198 (T): CB 71.080 71.080 71.297 -0.217 RESID 198 (T): H 7.796 7.796 7.940 -0.144 RESID 199 (G): N 103.900 103.900 108.596 -4.696 RESID 199 (G): C 171.800 171.800 172.584 -0.784 RESID 199 (G): CA 43.840 43.840 45.354 -1.514 RESID 199 (G): H 7.928 7.928 7.843 0.085 RESID 200 (M): N 121.400 121.400 119.749 1.651 RESID 200 (M): C 176.200 176.200 175.988 0.212 RESID 200 (M): CA 55.260 55.260 55.192 0.068 RESID 200 (M): CB 33.390 33.390 35.160 -1.770 RESID 200 (M): H 7.971 7.971 8.497 -0.526 RESID 201 (G): N 112.200 112.200 110.559 1.641 RESID 201 (G): C 172.000 172.000 172.813 -0.813 RESID 201 (G): CA 44.540 44.540 44.401 0.139 RESID 201 (G): H 8.818 8.818 8.376 0.442 RESID 202 (L): N 124.700 124.700 124.970 -0.270 RESID 202 (L): C 176.000 176.000 175.949 0.051 RESID 202 (L): CA 53.740 53.740 52.836 0.904 RESID 202 (L): CB 46.010 46.010 45.903 0.107 RESID 202 (L): H 8.767 8.767 8.633 0.134 RESID 203 (R): N 121.600 121.600 120.076 1.524 RESID 203 (R): C 180.400 180.400 177.906 2.494 RESID 203 (R): CA 57.130 57.130 55.409 1.721 RESID 203 (R): CB 29.650 29.650 31.312 -1.662 RESID 203 (R): H 10.270 10.270 8.122 2.148 RESID 204 (K): N 123.200 123.200 124.416 -1.216 RESID 204 (K): C 178.200 178.200 177.678 0.522 RESID 204 (K): CA 59.570 59.570 59.688 -0.118 RESID 204 (K): CB 31.840 31.840 32.148 -0.308 RESID 204 (K): H 9.231 9.231 8.674 0.557 RESID 205 (E): N 113.800 113.800 117.136 -3.336 RESID 205 (E): C 177.700 177.700 177.896 -0.196 RESID 205 (E): CA 57.230 57.230 58.233 -1.004 RESID 205 (E): CB 27.770 27.770 28.901 -1.131 RESID 205 (E): H 9.026 9.026 8.228 0.798 RESID 206 (D): N 126.000 126.000 120.860 5.140 RESID 206 (D): C 177.300 177.300 176.519 0.781 RESID 206 (D): CA 53.710 53.710 53.675 0.035 RESID 206 (D): CB 37.530 37.530 38.685 -1.155 RESID 206 (D): H 7.253 7.253 8.049 -0.796 RESID 207 (N): N 120.100 120.100 120.429 -0.329 RESID 207 (N): C 176.900 176.900 177.008 -0.108 RESID 207 (N): CA 56.950 56.950 56.421 0.529 RESID 207 (N): CB 38.820 38.820 38.898 -0.078 RESID 207 (N): H 7.839 7.839 8.735 -0.896 RESID 208 (E): N 120.500 120.500 118.949 1.551 RESID 208 (E): C 179.900 179.900 178.452 1.448 RESID 208 (E): CA 59.870 59.870 58.965 0.905 RESID 208 (E): CB 27.630 27.630 29.452 -1.822 RESID 208 (E): H 8.776 8.776 8.321 0.455 RESID 209 (L): N 122.900 122.900 120.472 2.428 RESID 209 (L): C 177.100 177.100 178.213 -1.113 RESID 209 (L): CA 57.400 57.400 57.532 -0.132 RESID 209 (L): CB 40.660 40.660 41.824 -1.164 RESID 209 (L): H 8.366 8.366 7.857 0.509 RESID 210 (R): N 119.100 119.100 118.750 0.350 RESID 210 (R): C 177.400 177.400 178.200 -0.800 RESID 210 (R): CA 59.970 59.970 59.755 0.215 RESID 210 (R): CB 30.110 30.110 30.022 0.088 RESID 210 (R): H 7.582 7.582 8.328 -0.746 RESID 211 (E): N 116.200 116.200 119.238 -3.038 RESID 211 (E): C 179.800 179.800 178.537 1.263 RESID 211 (E): CA 59.150 59.150 59.258 -0.108 RESID 211 (E): CB 28.600 28.600 29.590 -0.990 RESID 211 (E): H 8.407 8.407 7.864 0.543 RESID 212 (A): N 123.500 123.500 122.688 0.812 RESID 212 (A): C 181.300 181.300 179.644 1.656 RESID 212 (A): CA 54.810 54.810 54.707 0.103 RESID 212 (A): CB 17.170 17.170 18.137 -0.967 RESID 212 (A): H 8.128 8.128 7.619 0.509 RESID 213 (L): N 121.200 121.200 119.664 1.536 RESID 213 (L): C 178.400 178.400 179.627 -1.227 RESID 213 (L): CA 57.710 57.710 58.193 -0.483 RESID 213 (L): CB 41.450 41.450 41.195 0.255 RESID 213 (L): H 8.364 8.364 8.056 0.308 RESID 214 (N): N 119.200 119.200 116.435 2.765 RESID 214 (N): C 179.700 179.700 177.850 1.850 RESID 214 (N): CA 55.260 55.260 55.879 -0.619 RESID 214 (N): CB 37.120 37.120 37.928 -0.808 RESID 214 (N): H 8.435 8.435 8.352 0.083 RESID 215 (K): N 123.800 123.800 121.338 2.462 RESID 215 (K): C 178.400 178.400 178.518 -0.118 RESID 215 (K): CA 59.090 59.090 59.397 -0.307 RESID 215 (K): CB 31.740 31.740 32.483 -0.743 RESID 215 (K): H 8.080 8.080 8.448 -0.368 RESID 216 (A): N 122.200 122.200 121.774 0.426 RESID 216 (A): C 179.500 179.500 179.516 -0.016 RESID 216 (A): CA 54.140 54.140 54.883 -0.743 RESID 216 (A): CB 18.700 18.700 18.273 0.428 RESID 216 (A): H 7.935 7.935 8.279 -0.344 RESID 217 (F): N 119.500 119.500 120.121 -0.621 RESID 217 (F): C 177.200 177.200 176.985 0.215 RESID 217 (F): CA 61.390 61.390 60.322 1.068 RESID 217 (F): CB 38.000 38.000 39.076 -1.076 RESID 217 (F): H 8.916 8.916 8.328 0.588 RESID 218 (A): N 121.300 121.300 121.204 0.096 RESID 218 (A): C 182.100 182.100 179.680 2.420 RESID 218 (A): CA 54.810 54.810 55.204 -0.394 RESID 218 (A): CB 16.650 16.650 17.997 -1.347 RESID 218 (A): H 7.956 7.956 8.167 -0.211 RESID 219 (E): N 120.000 120.000 119.038 0.962 RESID 219 (E): C 178.600 178.600 179.009 -0.409 RESID 219 (E): CA 59.040 59.040 59.308 -0.268 RESID 219 (E): CB 28.320 28.320 29.487 -1.167 RESID 219 (E): H 7.952 7.952 7.852 0.100 RESID 220 (M): N 120.900 120.900 118.225 2.675 RESID 220 (M): C 179.000 179.000 178.616 0.384 RESID 220 (M): CA 57.430 57.430 59.541 -2.111 RESID 220 (M): CB 32.620 32.620 32.439 0.181 RESID 220 (M): H 8.190 8.190 8.169 0.021 RESID 221 (R): N 119.200 119.200 118.396 0.804 RESID 221 (R): C 179.300 179.300 178.880 0.420 RESID 221 (R): CA 58.710 58.710 58.937 -0.227 RESID 221 (R): CB 27.480 27.480 29.867 -2.387 RESID 221 (R): H 7.762 7.762 7.518 0.244 RESID 222 (A): N 122.500 122.500 122.067 0.433 RESID 222 (A): C 179.300 179.300 178.921 0.379 RESID 222 (A): CA 54.180 54.180 54.620 -0.440 RESID 222 (A): CB 18.030 18.030 18.566 -0.536 RESID 222 (A): H 7.838 7.838 7.732 0.106 RESID 223 (D): N 115.100 115.100 114.637 0.463 RESID 223 (D): C 177.900 177.900 177.255 0.645 RESID 223 (D): CA 53.020 53.020 53.117 -0.097 RESID 223 (D): CB 39.570 39.570 40.420 -0.850 RESID 223 (D): H 8.091 8.091 7.977 0.114 RESID 224 (G): N 106.700 106.700 108.884 -2.184 RESID 224 (G): C 176.000 176.000 176.000 0.000 RESID 224 (G): CA 45.070 45.070 46.330 -1.260 RESID 224 (G): H 7.199 7.199 7.463 -0.264 RESID 225 (T): N 122.400 122.400 117.130 5.270 RESID 225 (T): C 175.700 175.700 175.348 0.352 RESID 225 (T): CA 67.610 67.610 67.865 -0.255 RESID 225 (T): CB 66.840 66.840 68.764 -1.924 RESID 225 (T): H 9.095 9.095 8.773 0.322 RESID 226 (Y): N 121.500 121.500 121.710 -0.210 RESID 226 (Y): C 176.000 176.000 176.918 -0.918 RESID 226 (Y): CA 62.530 62.530 62.252 0.278 RESID 226 (Y): CB 38.410 38.410 38.312 0.098 RESID 226 (Y): H 8.040 8.040 7.648 0.392 RESID 227 (E): N 118.200 118.200 118.718 -0.518 RESID 227 (E): C 178.200 178.200 178.689 -0.489 RESID 227 (E): CA 58.940 58.940 59.479 -0.539 RESID 227 (E): CB 28.810 28.810 29.122 -0.312 RESID 227 (E): H 8.153 8.153 8.589 -0.436 RESID 228 (K): N 119.100 119.100 120.371 -1.271 RESID 228 (K): C 179.500 179.500 179.060 0.440 RESID 228 (K): CA 59.260 59.260 59.489 -0.229 RESID 228 (K): CB 31.520 31.520 32.416 -0.896 RESID 228 (K): H 7.558 7.558 8.389 -0.831 RESID 229 (L): N 119.100 119.100 119.370 -0.270 RESID 229 (L): C 179.300 179.300 178.803 0.497 RESID 229 (L): CA 56.970 56.970 57.700 -0.730 RESID 229 (L): CB 41.520 41.520 41.880 -0.360 RESID 229 (L): H 8.055 8.055 8.075 -0.020 RESID 230 (A): N 121.200 121.200 122.134 -0.934 RESID 230 (A): C 180.500 180.500 179.214 1.286 RESID 230 (A): CA 54.890 54.890 55.515 -0.625 RESID 230 (A): CB 17.570 17.570 17.716 -0.146 RESID 230 (A): H 8.901 8.901 8.335 0.566 RESID 231 (K): N 117.200 117.200 117.955 -0.755 RESID 231 (K): C 177.700 177.700 178.134 -0.434 RESID 231 (K): CA 57.370 57.370 58.770 -1.400 RESID 231 (K): CB 31.330 31.330 32.342 -1.012 RESID 231 (K): H 8.062 8.062 8.086 -0.024 RESID 232 (K): N 117.600 117.600 116.696 0.904 RESID 232 (K): C 176.800 176.800 179.171 -2.371 RESID 232 (K): CA 57.890 57.890 58.621 -0.731 RESID 232 (K): CB 31.150 31.150 32.540 -1.390 RESID 232 (K): H 7.053 7.053 7.419 -0.366 RESID 233 (Y): N 114.000 114.000 117.017 -3.017 RESID 233 (Y): C 175.100 175.100 175.754 -0.654 RESID 233 (Y): CA 58.110 58.110 61.162 -3.052 RESID 233 (Y): CB 39.360 39.360 38.846 0.513 RESID 233 (Y): H 7.013 7.013 7.960 -0.947 RESID 234 (F): N 116.400 116.400 113.380 3.020 RESID 234 (F): C 175.800 175.800 173.428 2.372 RESID 234 (F): CA 54.920 54.920 56.743 -1.823 RESID 234 (F): CB 41.260 41.260 42.783 -1.523 RESID 234 (F): H 8.038 8.038 8.157 -0.119 RESID 235 (D): N 123.000 123.000 120.692 2.308 RESID 235 (D): C 174.500 174.500 175.102 -0.602 RESID 235 (D): CA 52.680 52.680 53.434 -0.754 RESID 235 (D): CB 39.860 39.860 39.747 0.113 RESID 235 (D): H 8.879 8.879 8.629 0.250 RESID 236 (F): N 115.500 115.500 122.063 -6.563 RESID 236 (F): C 173.600 173.600 173.557 0.043 RESID 236 (F): CA 53.950 53.950 56.325 -2.375 RESID 236 (F): CB 39.860 39.860 39.795 0.065 RESID 236 (F): H 6.793 6.793 7.436 -0.643 RESID 237 (D): N 119.700 119.700 122.084 -2.384 RESID 237 (D): C 175.800 175.800 177.182 -1.382 RESID 237 (D): CA 52.980 52.980 52.660 0.320 RESID 237 (D): CB 39.210 39.210 41.998 -2.788 RESID 237 (D): H 8.831 8.831 8.687 0.144 RESID 238 (V): N 129.900 129.900 122.684 7.216 RESID 238 (V): C 175.200 175.200 176.678 -1.478 RESID 238 (V): CA 61.840 61.840 65.149 -3.309 RESID 238 (V): CB 32.500 32.500 31.912 0.588 RESID 238 (V): H 7.376 7.376 8.429 -1.053 RESID 239 (Y): N 123.500 123.500 119.027 4.473 RESID 239 (Y): C 176.500 176.500 178.542 -2.042 RESID 239 (Y): CA 61.920 61.920 61.090 0.830 RESID 239 (Y): CB 38.010 38.010 37.776 0.234 RESID 239 (Y): H 8.314 8.314 7.920 0.394 RESID 240 (G): N 104.100 104.100 104.553 -0.453 RESID 240 (G): C 174.600 174.600 174.910 -0.310 RESID 240 (G): CA 45.930 45.930 45.325 0.605 RESID 240 (G): H 7.428 7.428 8.426 -0.998 N HA C CA CB H RESID 6 (P): ----- ----- -0.704 -0.624 -0.725 ----- RESID 7 (Q): -0.377 ----- -0.421 -0.651 -0.644 -0.301 RESID 8 (N): 1.916 ----- -0.260 -0.652 -1.347 -0.335 RESID 9 (I): -1.901 ----- -0.197 -0.642 -0.389 -0.730 RESID 10 (R): -0.729 ----- 0.293 -1.490 -0.580 0.621 RESID 11 (I): 2.550 ----- 0.502 0.034 -4.162 0.181 RESID 12 (G): 0.510 ----- -1.322 0.254 ----- 0.805 RESID 13 (T): -1.070 ----- 8.553 -0.579 -1.746 0.603 RESID 14 (D): -0.747 ----- 2.732 -0.535 -1.653 -0.484 RESID 15 (P): ----- ----- -1.060 -1.420 -4.502 ----- RESID 16 (T): 5.550 ----- 0.720 -2.454 -1.222 0.483 RESID 17 (Y): 3.865 ----- -0.456 -1.909 0.298 0.894 RESID 18 (A): 2.443 ----- -0.452 -4.582 -0.184 0.024 RESID 19 (P): ----- ----- -4.286 -2.347 0.205 ----- RESID 20 (F): 7.786 ----- 1.590 2.713 -3.079 -0.120 RESID 21 (E): -2.711 ----- -0.834 -0.814 -5.370 -0.788 RESID 22 (S): 4.086 ----- -0.782 -1.270 -1.214 0.442 RESID 23 (K): -1.853 ----- 2.607 -1.670 -1.802 0.007 RESID 24 (N): 1.622 ----- 1.049 -1.280 -1.881 0.063 RESID 25 (S): ----- ----- -0.013 -0.003 -0.197 ----- RESID 26 (Q): -0.182 ----- -0.569 -0.402 -0.466 -0.360 RESID 27 (G): 1.124 ----- -0.370 -0.001 ----- 0.255 RESID 28 (E): 0.486 ----- 0.193 -1.395 -0.898 -0.210 RESID 29 (L): 2.480 ----- 0.499 0.570 -1.615 -0.059 RESID 30 (V): -4.100 ----- 1.650 -1.746 -0.129 1.033 RESID 31 (G): -0.032 ----- 0.868 -1.335 ----- 1.176 RESID 32 (F): -2.930 ----- 1.727 -0.171 -0.381 0.054 RESID 33 (D): -2.564 ----- 1.072 -0.361 -1.608 1.728 RESID 34 (I): -0.816 ----- 0.293 -3.779 -4.174 -1.189 RESID 35 (D): 0.650 ----- 1.575 -0.343 0.063 0.754 RESID 36 (L): -0.428 ----- 0.525 -0.082 0.654 1.286 RESID 37 (A): -1.644 ----- -0.924 -0.153 -1.088 0.751 RESID 38 (K): -2.844 ----- 0.938 0.477 -0.494 0.682 RESID 39 (E): 2.171 ----- -1.094 -0.897 -1.526 -0.091 RESID 40 (L): 1.099 ----- -0.135 0.221 -1.517 0.646 RESID 41 (C): -2.798 ----- -1.677 -0.377 21.411 -0.167 RESID 42 (K): -0.315 ----- 1.659 -0.642 -0.928 -0.594 RESID 43 (R): 1.481 ----- 0.028 0.296 -0.237 0.520 RESID 44 (I): -5.742 ----- -0.842 -2.171 -1.560 -0.678 RESID 45 (N): 3.083 ----- -0.338 -0.955 0.698 -0.307 RESID 46 (T): 7.142 ----- 0.294 -0.283 -1.326 -0.006 RESID 47 (Q): 3.547 ----- 0.818 -0.525 -1.857 -0.289 RESID 48 (C): -0.634 ----- -0.607 -4.713 18.024 0.195 RESID 49 (T): -2.091 ----- 0.140 -1.034 -0.008 -0.518 RESID 50 (F): -2.219 ----- -0.142 -0.005 0.470 0.350 RESID 51 (V): 2.514 ----- -0.031 -0.017 -1.667 0.191 RESID 52 (E): -2.101 ----- 1.653 -2.809 -1.045 -0.152 RESID 53 (N): 6.515 ----- -1.816 -0.272 5.693 0.679 RESID 54 (P): ----- ----- -0.209 -0.706 -1.435 ----- RESID 55 (L): 0.233 ----- 0.873 -1.124 0.132 0.301 RESID 56 (D): -3.630 ----- -0.832 -0.786 -0.532 0.116 RESID 57 (A): 0.541 ----- 1.197 -2.099 -0.476 -0.247 RESID 58 (L): 1.396 ----- -1.021 0.807 -1.728 -0.324 RESID 59 (I): 0.064 ----- 1.250 1.634 -0.702 1.352 RESID 60 (P): ----- ----- 0.822 -0.558 -1.224 ----- RESID 61 (S): 0.094 ----- -1.142 -0.047 ----- -0.349 RESID 62 (L): 2.857 ----- 1.902 -0.290 0.052 0.058 RESID 63 (K): 1.970 ----- 0.064 0.325 -1.696 0.703 RESID 64 (A): 0.034 ----- -0.473 -0.288 -0.422 -0.261 RESID 65 (K): -1.842 ----- -0.461 -0.179 -2.180 0.078 RESID 66 (K): 2.914 ----- -0.523 -1.248 -0.838 0.652 RESID 67 (I): -5.020 ----- -1.393 0.005 -0.559 -0.198 RESID 68 (D): -3.059 ----- -3.588 0.201 1.629 1.219 RESID 69 (A): -0.718 ----- 1.058 -1.025 -0.203 -0.037 RESID 70 (I): -0.396 ----- 0.040 -0.586 0.266 1.341 RESID 71 (M): -1.062 ----- -1.387 -1.974 -0.066 0.219 RESID 72 (S): 2.486 ----- -1.287 1.062 -0.501 0.135 RESID 73 (S): 5.019 ----- 0.073 -0.997 0.082 -0.070 RESID 74 (L): -3.401 ----- -0.670 -1.269 -0.470 1.253 RESID 75 (S): 2.163 ----- 0.795 2.281 -1.629 0.262 RESID 76 (I): 9.326 ----- 0.937 1.716 -3.811 0.046 RESID 77 (T): 2.952 ----- -0.279 -2.200 -0.737 -1.016 RESID 78 (E): -0.441 ----- 1.624 -1.731 -0.635 0.024 RESID 79 (K): 0.050 ----- 1.552 -0.304 -0.687 0.055 RESID 80 (R): -0.320 ----- 0.142 0.366 0.308 0.277 RESID 81 (Q): -0.643 ----- -2.321 -1.420 0.308 0.148 RESID 82 (Q): -2.409 ----- -0.418 -1.066 -0.565 -0.639 RESID 83 (E): -2.087 ----- -0.892 -1.397 1.872 -0.301 RESID 84 (I): 3.267 ----- -1.319 0.463 -0.684 0.284 RESID 85 (A): 0.220 ----- -0.236 -1.102 0.823 0.250 RESID 86 (F): -3.483 ----- 2.943 -0.958 0.252 -0.331 RESID 87 (T): -6.682 ----- 0.889 0.820 2.639 -0.450 RESID 88 (D): -2.183 ----- -1.439 -0.788 1.028 -0.035 RESID 89 (K): 1.349 ----- -0.642 -1.665 0.343 -0.053 RESID 90 (L): -0.751 ----- 0.324 -2.723 -1.366 0.230 RESID 91 (Y): -0.756 ----- -0.701 -0.137 -2.695 -0.449 RESID 92 (A): 0.704 ----- -1.065 0.918 0.735 -0.945 RESID 93 (A): -0.740 ----- -0.935 0.410 -0.007 0.400 RESID 94 (D): 1.267 ----- -0.814 -1.227 -0.223 0.768 RESID 95 (S): -1.903 ----- -1.466 0.424 -0.099 -1.040 RESID 96 (R): 4.520 ----- -0.177 1.558 -0.286 0.380 RESID 97 (L): -1.046 ----- 1.670 0.336 -1.727 1.292 RESID 98 (V): 0.847 ----- 0.684 0.913 0.470 1.458 RESID 99 (V): -5.414 ----- 0.722 -0.280 1.248 1.032 RESID 100 (A): 0.786 ----- 0.751 2.033 -1.834 0.670 RESID 101 (K): -4.011 ----- -0.231 0.390 -0.506 -1.068 RESID 102 (N): -1.124 ----- 0.256 -2.309 -1.618 -0.254 RESID 103 (S): 0.121 ----- 2.716 0.674 0.402 0.108 RESID 104 (D): -0.801 ----- 1.520 -1.027 -0.542 0.008 RESID 105 (I): -1.783 ----- -0.788 2.960 -2.970 -0.367 RESID 106 (Q): -0.410 ----- 0.860 -0.732 1.149 -0.326 RESID 107 (P): ----- ----- -0.494 -1.781 -4.169 ----- RESID 108 (T): -3.120 ----- -0.382 -3.938 -0.946 0.864 RESID 109 (V): -1.440 ----- 0.360 0.848 -2.188 0.292 RESID 110 (E): -3.936 ----- -0.319 -0.877 -0.893 0.013 RESID 111 (S): -0.123 ----- 0.558 -1.616 1.182 -1.058 RESID 112 (L): -4.169 ----- 0.028 -0.859 0.092 0.348 RESID 113 (K): 1.848 ----- 0.701 0.608 -1.407 -0.281 RESID 114 (G): 0.987 ----- -0.599 -0.098 ----- 0.103 RESID 115 (K): -1.164 ----- -1.303 -1.059 -1.297 0.654 RESID 116 (R): -1.449 ----- 0.301 -0.958 0.537 1.036 RESID 117 (V): 3.185 ----- 0.592 -0.093 -2.385 0.635 RESID 118 (G): 0.683 ----- -0.263 1.490 ----- 1.339 RESID 119 (V): -5.709 ----- 0.111 -2.173 -0.647 -0.153 RESID 120 (L): 0.290 ----- 1.213 -0.257 -1.470 0.128 RESID 121 (Q): 0.823 ----- -0.355 -0.392 -1.605 0.306 RESID 122 (G): 0.075 ----- 1.555 -0.229 ----- 0.559 RESID 123 (T): -1.671 ----- 2.373 0.275 2.860 -0.510 RESID 124 (T): 1.380 ----- 1.581 -0.633 -0.987 0.269 RESID 125 (Q): -1.839 ----- 0.226 1.898 -2.740 -0.748 RESID 126 (E): 2.142 ----- -1.293 -0.197 -0.903 -0.100 RESID 127 (T): 1.604 ----- -0.151 -0.487 -1.141 0.564 RESID 128 (F): -0.052 ----- 0.471 0.890 -0.122 0.299 RESID 129 (G): -0.138 ----- -0.373 -0.531 ----- -0.263 RESID 130 (N): 4.552 ----- 0.366 0.066 -0.625 0.360 RESID 131 (E): 2.253 ----- 0.799 1.236 -1.407 0.415 RESID 132 (H): -6.050 ----- 0.344 -1.883 0.723 -0.003 RESID 133 (W): 1.877 ----- 0.608 -0.977 0.674 0.149 RESID 134 (A): 0.751 ----- 0.475 0.755 -0.801 1.177 RESID 135 (P): ----- ----- -0.041 -0.056 -0.183 ----- RESID 136 (K): -0.658 ----- -1.055 -2.357 -0.444 -0.441 RESID 137 (G): -2.247 ----- 0.763 0.367 ----- 0.200 RESID 138 (I): 5.009 ----- -0.371 0.334 -1.713 -0.587 RESID 139 (E): 1.160 ----- -1.190 0.450 -1.736 -0.098 RESID 140 (I): 7.930 ----- 1.386 -1.923 -6.209 0.293 RESID 141 (V): 7.964 ----- -0.040 -0.080 -3.904 0.270 RESID 142 (S): 2.699 ----- 1.408 0.661 -0.164 0.134 RESID 143 (Y): -2.466 ----- -0.518 -0.355 0.896 -0.353 RESID 144 (Q): -0.211 ----- 1.031 0.587 -1.446 0.241 RESID 145 (G): -0.512 ----- -0.660 0.008 ----- -0.329 RESID 146 (Q): 1.417 ----- -0.157 -1.030 -0.449 0.082 RESID 147 (D): -0.505 ----- 0.431 -0.183 -0.854 -0.038 RESID 148 (N): -0.318 ----- -0.637 -0.459 0.603 -1.066 RESID 149 (I): 0.120 ----- -0.124 -0.601 -1.694 -0.383 RESID 150 (Y): -0.790 ----- 0.733 -1.920 -1.683 -0.486 RESID 151 (S): 2.095 ----- -0.019 -0.388 -0.116 -0.078 RESID 152 (D): -0.932 ----- 0.653 -0.288 -2.130 -0.163 RESID 153 (L): 2.941 ----- 1.746 0.614 -0.201 0.536 RESID 154 (T): -1.491 ----- 1.342 -1.496 -0.291 0.084 RESID 155 (A): 1.693 ----- 0.154 -0.681 -0.451 0.372 RESID 156 (G): 0.695 ----- -0.253 0.251 ----- -0.124 RESID 157 (R): -0.214 ----- 0.887 -0.335 -0.366 0.316 RESID 158 (I): -3.982 ----- -0.598 0.689 -0.985 -0.012 RESID 159 (D): -4.762 ----- -0.950 -0.422 1.929 0.186 RESID 160 (A): -0.052 ----- 0.581 -1.304 1.692 0.538 RESID 161 (A): 1.615 ----- -0.183 -0.573 -0.493 0.924 RESID 162 (F): 2.504 ----- -2.105 -3.728 0.595 0.512 RESID 163 (Q): 1.236 ----- -0.311 -0.091 1.243 -0.402 RESID 164 (D): 1.083 ----- -1.458 1.038 0.308 -0.149 RESID 165 (E): 5.805 ----- -0.432 0.096 0.180 -0.169 RESID 166 (V): 1.222 ----- 0.995 0.078 -0.217 0.523 RESID 167 (A): 3.158 ----- 3.408 0.264 -0.141 0.692 RESID 168 (A): -0.886 ----- 0.076 -0.371 0.321 0.479 RESID 169 (S): -1.051 ----- -0.479 -1.520 0.392 -0.087 RESID 170 (E): -4.777 ----- 1.417 -0.485 0.742 0.985 RESID 171 (G): -1.464 ----- -1.307 -0.288 ----- 0.825 RESID 172 (F): -2.411 ----- -2.496 -0.475 1.648 -1.076 RESID 173 (L): -0.002 ----- 0.691 0.799 -1.831 0.941 RESID 174 (K): -1.825 ----- 0.491 -0.856 -0.880 0.423 RESID 175 (Q): 1.976 ----- 2.004 0.265 -3.085 -0.134 RESID 176 (P): ----- ----- 1.833 0.681 -0.867 ----- RESID 177 (V): -4.708 ----- -2.060 -3.208 0.034 -0.315 RESID 178 (G): 4.106 ----- 0.172 -2.073 ----- -0.489 RESID 179 (K): 1.736 ----- -0.550 -0.097 -1.050 -0.282 RESID 180 (D): 0.121 ----- -1.925 -1.958 -1.568 0.485 RESID 181 (Y): 5.558 ----- -1.162 0.178 -0.435 0.373 RESID 182 (K): -1.802 ----- 0.619 -2.124 2.280 0.653 RESID 183 (F): -4.292 ----- 2.808 -1.316 -4.535 0.600 RESID 184 (G): 4.322 ----- -1.413 1.885 ----- 0.256 RESID 185 (G): 0.788 ----- -1.804 -1.036 ----- -0.780 RESID 186 (P): ----- ----- -0.707 -2.525 0.795 ----- RESID 187 (S): -6.680 ----- -0.364 0.468 -2.414 0.123 RESID 188 (V): 1.501 ----- 0.265 -0.523 -2.029 1.229 RESID 189 (K): 2.745 ----- 2.619 -1.503 -0.942 -0.018 RESID 190 (D): -1.800 ----- -1.583 2.155 2.187 0.523 RESID 191 (E): 2.555 ----- -0.195 0.905 -1.079 0.394 RESID 192 (K): -1.304 ----- 0.171 -0.781 -0.463 -0.699 RESID 193 (L): 0.076 ----- -0.024 -1.198 0.244 1.245 RESID 194 (F): 3.313 ----- 2.322 -2.706 -2.219 0.714 RESID 195 (G): -1.992 ----- -0.393 -0.838 ----- -0.125 RESID 196 (V): -11.579 ----- -0.519 -3.280 -1.519 -0.264 RESID 197 (G): 2.790 ----- 0.287 -2.047 ----- 0.549 RESID 198 (T): -4.529 ----- -0.429 -0.274 -0.217 -0.144 RESID 199 (G): -4.696 ----- -0.784 -1.514 ----- 0.085 RESID 200 (M): 1.651 ----- 0.212 0.068 -1.770 -0.526 RESID 201 (G): 1.641 ----- -0.813 0.139 ----- 0.442 RESID 202 (L): -0.270 ----- 0.051 0.904 0.107 0.134 RESID 203 (R): 1.524 ----- 2.494 1.721 -1.662 2.148 RESID 204 (K): -1.216 ----- 0.522 -0.118 -0.308 0.557 RESID 205 (E): -3.336 ----- -0.196 -1.004 -1.131 0.798 RESID 206 (D): 5.140 ----- 0.781 0.035 -1.155 -0.796 RESID 207 (N): -0.329 ----- -0.108 0.529 -0.078 -0.896 RESID 208 (E): 1.551 ----- 1.448 0.905 -1.822 0.455 RESID 209 (L): 2.428 ----- -1.113 -0.132 -1.164 0.509 RESID 210 (R): 0.350 ----- -0.800 0.215 0.088 -0.746 RESID 211 (E): -3.038 ----- 1.263 -0.108 -0.990 0.543 RESID 212 (A): 0.812 ----- 1.656 0.103 -0.967 0.509 RESID 213 (L): 1.536 ----- -1.227 -0.483 0.255 0.308 RESID 214 (N): 2.765 ----- 1.850 -0.619 -0.808 0.083 RESID 215 (K): 2.462 ----- -0.118 -0.307 -0.743 -0.368 RESID 216 (A): 0.426 ----- -0.016 -0.743 0.428 -0.344 RESID 217 (F): -0.621 ----- 0.215 1.068 -1.076 0.588 RESID 218 (A): 0.096 ----- 2.420 -0.394 -1.347 -0.211 RESID 219 (E): 0.962 ----- -0.409 -0.268 -1.167 0.100 RESID 220 (M): 2.675 ----- 0.384 -2.111 0.181 0.021 RESID 221 (R): 0.804 ----- 0.420 -0.227 -2.387 0.244 RESID 222 (A): 0.433 ----- 0.379 -0.440 -0.536 0.106 RESID 223 (D): 0.463 ----- 0.645 -0.097 -0.850 0.114 RESID 224 (G): -2.184 ----- 0.000 -1.260 ----- -0.264 RESID 225 (T): 5.270 ----- 0.352 -0.255 -1.924 0.322 RESID 226 (Y): -0.210 ----- -0.918 0.278 0.098 0.392 RESID 227 (E): -0.518 ----- -0.489 -0.539 -0.312 -0.436 RESID 228 (K): -1.271 ----- 0.440 -0.229 -0.896 -0.831 RESID 229 (L): -0.270 ----- 0.497 -0.730 -0.360 -0.020 RESID 230 (A): -0.934 ----- 1.286 -0.625 -0.146 0.566 RESID 231 (K): -0.755 ----- -0.434 -1.400 -1.012 -0.024 RESID 232 (K): 0.904 ----- -2.371 -0.731 -1.390 -0.366 RESID 233 (Y): -3.017 ----- -0.654 -3.052 0.513 -0.947 RESID 234 (F): 3.020 ----- 2.372 -1.823 -1.523 -0.119 RESID 235 (D): 2.308 ----- -0.602 -0.754 0.113 0.250 RESID 236 (F): -6.563 ----- 0.043 -2.375 0.065 -0.643 RESID 237 (D): -2.384 ----- -1.382 0.320 -2.788 0.144 RESID 238 (V): 7.216 ----- -1.478 -3.309 0.588 -1.053 RESID 239 (Y): 4.473 ----- -2.042 0.830 0.234 0.394 RESID 240 (G): -0.453 ----- -0.310 0.605 ----- -0.998 DATA CS_STAT_INFO N RMS: 2.930 ppm Count: 226 Average Difference: -0.147 +/- 2.933 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.286 ppm Count: 236 Average Difference: -0.106 +/- 1.284 ppm DATA CS_STAT_INFO CA RMS: 1.323 ppm Count: 236 Average Difference: 0.528 +/- 1.216 ppm DATA CS_STAT_INFO CB RMS: 2.462 ppm Count: 215 Average Difference: 0.513 +/- 2.414 ppm DATA CS_STAT_INFO HN RMS: 0.592 ppm Count: 226 Average Difference: -0.120 +/- 0.581 ppm ############################################################################ For conformer 22: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.265 0.035 RESID 5 (I): C 174.300 174.300 174.349 -0.049 RESID 5 (I): CA 57.710 57.710 59.840 -2.130 RESID 5 (I): CB 37.260 37.260 37.769 -0.509 RESID 5 (I): H 7.868 7.868 8.227 -0.359 RESID 6 (P): C 176.100 176.100 176.823 -0.723 RESID 6 (P): CA 62.180 62.180 62.799 -0.619 RESID 6 (P): CB 31.620 31.620 32.350 -0.730 RESID 7 (Q): N 119.200 119.200 119.530 -0.330 RESID 7 (Q): C 175.600 175.600 176.061 -0.461 RESID 7 (Q): CA 57.190 57.190 57.845 -0.655 RESID 7 (Q): CB 28.500 28.500 29.143 -0.643 RESID 7 (Q): H 8.380 8.380 8.688 -0.308 RESID 8 (N): N 116.300 116.300 114.263 2.037 RESID 8 (N): C 173.600 173.600 173.864 -0.264 RESID 8 (N): CA 51.720 51.720 52.362 -0.642 RESID 8 (N): CB 40.540 40.540 42.004 -1.464 RESID 8 (N): H 7.472 7.472 7.832 -0.360 RESID 9 (I): N 121.000 121.000 122.441 -1.441 RESID 9 (I): C 174.700 174.700 174.870 -0.170 RESID 9 (I): CA 59.480 59.480 60.065 -0.585 RESID 9 (I): CB 39.740 39.740 40.309 -0.570 RESID 9 (I): H 8.416 8.416 9.145 -0.729 RESID 10 (R): N 126.500 126.500 127.388 -0.888 RESID 10 (R): C 175.800 175.800 175.040 0.760 RESID 10 (R): CA 53.950 53.950 55.411 -1.461 RESID 10 (R): CB 30.670 30.670 31.356 -0.686 RESID 10 (R): H 9.098 9.098 8.174 0.924 RESID 11 (I): N 127.500 127.500 124.146 3.354 RESID 11 (I): C 175.600 175.600 175.276 0.324 RESID 11 (I): CA 59.480 59.480 59.220 0.260 RESID 11 (I): CB 37.460 37.460 41.600 -4.140 RESID 11 (I): H 9.279 9.279 9.017 0.262 RESID 12 (G): N 114.800 114.800 114.348 0.452 RESID 12 (G): C 171.700 171.700 173.188 -1.488 RESID 12 (G): CA 44.540 44.540 44.317 0.223 RESID 12 (G): H 9.382 9.382 8.493 0.889 RESID 13 (T): N 120.600 120.600 122.066 -1.466 RESID 13 (T): C 181.600 181.600 173.250 8.350 RESID 13 (T): CA 61.470 61.470 61.842 -0.372 RESID 13 (T): CB 69.970 69.970 71.558 -1.589 RESID 13 (T): H 8.594 8.594 7.814 0.780 RESID 14 (D): N 127.000 127.000 127.792 -0.792 RESID 14 (D): C 177.500 177.500 174.355 3.145 RESID 14 (D): CA 49.760 49.760 50.218 -0.458 RESID 14 (D): CB 40.580 40.580 42.081 -1.501 RESID 14 (D): H 8.200 8.200 8.600 -0.400 RESID 15 (P): C 175.400 175.400 176.429 -1.029 RESID 15 (P): CA 61.920 61.920 63.363 -1.443 RESID 15 (P): CB 27.890 27.890 32.534 -4.644 RESID 16 (T): N 116.200 116.200 110.820 5.380 RESID 16 (T): C 174.000 174.000 173.285 0.715 RESID 16 (T): CA 59.560 59.560 62.043 -2.483 RESID 16 (T): CB 68.650 68.650 69.854 -1.204 RESID 16 (T): H 8.739 8.739 8.302 0.437 RESID 17 (Y): N 125.800 125.800 121.817 3.983 RESID 17 (Y): C 175.200 175.200 175.642 -0.442 RESID 17 (Y): CA 54.180 54.180 56.165 -1.985 RESID 17 (Y): CB 38.700 38.700 38.576 0.124 RESID 17 (Y): H 8.943 8.943 8.078 0.865 RESID 18 (A): N 132.100 132.100 129.671 2.429 RESID 18 (A): C 176.000 176.000 176.473 -0.473 RESID 18 (A): CA 51.490 51.490 56.057 -4.567 RESID 18 (A): CB 16.070 16.070 16.250 -0.180 RESID 18 (A): H 8.945 8.945 8.918 0.027 RESID 19 (P): C 173.500 173.500 177.808 -4.308 RESID 19 (P): CA 62.890 62.890 65.234 -2.344 RESID 19 (P): CB 31.790 31.790 31.601 0.189 RESID 20 (F): N 125.100 125.100 117.291 7.809 RESID 20 (F): C 176.700 176.700 175.457 1.243 RESID 20 (F): CA 62.420 62.420 59.491 2.929 RESID 20 (F): CB 37.980 37.980 41.076 -3.096 RESID 20 (F): H 8.117 8.117 8.290 -0.173 RESID 21 (E): N 111.800 111.800 114.503 -2.703 RESID 21 (E): C 173.600 173.600 174.354 -0.754 RESID 21 (E): CA 54.400 54.400 55.509 -1.109 RESID 21 (E): CB 28.770 28.770 33.987 -5.217 RESID 21 (E): H 7.701 7.701 8.496 -0.795 RESID 22 (S): N 117.200 117.200 113.082 4.118 RESID 22 (S): C 171.500 171.500 172.285 -0.785 RESID 22 (S): CA 57.290 57.290 58.573 -1.283 RESID 22 (S): CB 62.940 62.940 64.158 -1.218 RESID 22 (S): H 8.750 8.750 8.301 0.449 RESID 23 (K): N 117.400 117.400 119.542 -2.142 RESID 23 (K): C 177.600 177.600 175.062 2.538 RESID 23 (K): CA 53.700 53.700 55.369 -1.669 RESID 23 (K): CB 33.330 33.330 35.071 -1.741 RESID 23 (K): H 8.238 8.238 8.254 -0.016 RESID 24 (N): N 122.400 122.400 121.306 1.094 RESID 24 (N): C 178.000 178.000 177.072 0.928 RESID 24 (N): CA 50.600 50.600 52.064 -1.464 RESID 24 (N): CB 38.140 38.140 40.012 -1.872 RESID 24 (N): H 8.584 8.584 8.614 -0.030 RESID 25 (S): C 175.400 175.400 175.334 0.066 RESID 25 (S): CA 60.970 60.970 61.008 -0.038 RESID 25 (S): CB 62.410 62.410 62.682 -0.272 RESID 26 (Q): N 119.300 119.300 119.455 -0.155 RESID 26 (Q): C 176.200 176.200 176.706 -0.506 RESID 26 (Q): CA 55.180 55.180 55.544 -0.364 RESID 26 (Q): CB 28.260 28.260 28.720 -0.460 RESID 26 (Q): H 7.520 7.520 7.872 -0.352 RESID 27 (G): N 108.800 108.800 107.605 1.195 RESID 27 (G): C 173.700 173.700 173.978 -0.278 RESID 27 (G): CA 45.050 45.050 44.991 0.059 RESID 27 (G): H 8.169 8.169 7.800 0.369 RESID 28 (E): N 121.200 121.200 119.598 1.602 RESID 28 (E): C 175.800 175.800 175.545 0.255 RESID 28 (E): CA 54.490 54.490 55.854 -1.364 RESID 28 (E): CB 29.750 29.750 30.711 -0.961 RESID 28 (E): H 7.836 7.836 8.138 -0.302 RESID 29 (L): N 123.500 123.500 121.103 2.397 RESID 29 (L): C 176.400 176.400 175.971 0.429 RESID 29 (L): CA 54.310 54.310 53.844 0.466 RESID 29 (L): CB 41.180 41.180 43.211 -2.031 RESID 29 (L): H 8.281 8.281 8.282 -0.001 RESID 30 (V): N 118.200 118.200 121.990 -3.790 RESID 30 (V): C 175.300 175.300 173.648 1.652 RESID 30 (V): CA 58.360 58.360 60.092 -1.732 RESID 30 (V): CB 36.080 36.080 36.204 -0.124 RESID 30 (V): H 8.900 8.900 7.830 1.070 RESID 31 (G): N 109.800 109.800 109.807 -0.007 RESID 31 (G): C 174.400 174.400 173.497 0.903 RESID 31 (G): CA 43.830 43.830 45.158 -1.328 RESID 31 (G): H 8.611 8.611 7.427 1.184 RESID 32 (F): N 119.900 119.900 122.562 -2.662 RESID 32 (F): C 177.900 177.900 175.900 2.000 RESID 32 (F): CA 59.800 59.800 60.652 -0.852 RESID 32 (F): CB 38.950 38.950 39.291 -0.341 RESID 32 (F): H 8.295 8.295 8.105 0.190 RESID 33 (D): N 116.500 116.500 118.965 -2.465 RESID 33 (D): C 179.100 179.100 178.124 0.976 RESID 33 (D): CA 56.180 56.180 56.267 -0.087 RESID 33 (D): CB 38.610 38.610 40.443 -1.833 RESID 33 (D): H 8.935 8.935 7.666 1.269 RESID 34 (I): N 118.800 118.800 119.899 -1.099 RESID 34 (I): C 178.000 178.000 177.958 0.042 RESID 34 (I): CA 60.950 60.950 64.305 -3.356 RESID 34 (I): CB 33.620 33.620 37.938 -4.318 RESID 34 (I): H 6.535 6.535 6.903 -0.368 RESID 35 (D): N 121.000 121.000 120.383 0.617 RESID 35 (D): C 180.300 180.300 178.725 1.575 RESID 35 (D): CA 57.100 57.100 57.454 -0.354 RESID 35 (D): CB 40.420 40.420 40.331 0.089 RESID 35 (D): H 8.536 8.536 7.798 0.738 RESID 36 (L): N 120.500 120.500 120.859 -0.359 RESID 36 (L): C 178.500 178.500 177.988 0.512 RESID 36 (L): CA 57.720 57.720 57.767 -0.047 RESID 36 (L): CB 42.230 42.230 41.582 0.648 RESID 36 (L): H 8.508 8.508 7.229 1.280 RESID 37 (A): N 120.200 120.200 121.735 -1.535 RESID 37 (A): C 178.600 178.600 179.572 -0.972 RESID 37 (A): CA 55.170 55.170 55.249 -0.079 RESID 37 (A): CB 17.340 17.340 18.457 -1.117 RESID 37 (A): H 8.383 8.383 7.654 0.729 RESID 38 (K): N 116.400 116.400 119.335 -2.935 RESID 38 (K): C 180.100 180.100 179.137 0.963 RESID 38 (K): CA 60.530 60.530 60.021 0.509 RESID 38 (K): CB 31.840 31.840 32.368 -0.528 RESID 38 (K): H 8.780 8.780 8.164 0.616 RESID 39 (E): N 121.500 121.500 119.382 2.118 RESID 39 (E): C 178.300 178.300 179.376 -1.076 RESID 39 (E): CA 58.430 58.430 59.315 -0.884 RESID 39 (E): CB 27.990 27.990 29.498 -1.508 RESID 39 (E): H 7.692 7.692 7.772 -0.080 RESID 40 (L): N 121.500 121.500 120.387 1.113 RESID 40 (L): C 178.700 178.700 178.808 -0.108 RESID 40 (L): CA 58.490 58.490 58.254 0.236 RESID 40 (L): CB 40.250 40.250 41.769 -1.519 RESID 40 (L): H 8.563 8.563 7.833 0.730 RESID 41 (C): N 115.700 115.700 118.461 -2.761 RESID 41 (C): C 175.800 175.800 177.460 -1.660 RESID 41 (C): CA 62.390 62.390 62.757 -0.367 RESID 41 (C): CB 46.860 46.860 25.451 21.409 RESID 41 (C): H 8.598 8.598 8.646 -0.048 RESID 42 (K): N 119.300 119.300 119.649 -0.349 RESID 42 (K): C 180.800 180.800 179.111 1.689 RESID 42 (K): CA 58.810 58.810 59.443 -0.633 RESID 42 (K): CB 31.430 31.430 32.358 -0.928 RESID 42 (K): H 7.490 7.490 8.040 -0.550 RESID 43 (R): N 119.500 119.500 117.959 1.541 RESID 43 (R): C 178.700 178.700 178.669 0.031 RESID 43 (R): CA 58.760 58.760 58.453 0.306 RESID 43 (R): CB 29.980 29.980 30.223 -0.243 RESID 43 (R): H 8.057 8.057 7.610 0.447 RESID 44 (I): N 111.800 111.800 117.531 -5.731 RESID 44 (I): C 175.000 175.000 175.837 -0.837 RESID 44 (I): CA 60.940 60.940 63.075 -2.135 RESID 44 (I): CB 36.630 36.630 38.202 -1.571 RESID 44 (I): H 7.765 7.765 8.424 -0.659 RESID 45 (N): N 118.800 118.800 115.726 3.074 RESID 45 (N): C 173.600 173.600 173.943 -0.343 RESID 45 (N): CA 53.670 53.670 54.625 -0.955 RESID 45 (N): CB 36.620 36.620 35.924 0.696 RESID 45 (N): H 7.752 7.752 8.066 -0.314 RESID 46 (T): N 112.800 112.800 105.787 7.013 RESID 46 (T): C 173.100 173.100 172.832 0.268 RESID 46 (T): CA 60.020 60.020 60.273 -0.253 RESID 46 (T): CB 70.500 70.500 71.870 -1.369 RESID 46 (T): H 7.920 7.920 7.932 -0.012 RESID 47 (Q): N 123.500 123.500 120.013 3.487 RESID 47 (Q): C 175.400 175.400 174.576 0.824 RESID 47 (Q): CA 54.550 54.550 55.101 -0.551 RESID 47 (Q): CB 28.670 28.670 30.465 -1.795 RESID 47 (Q): H 8.037 8.037 8.361 -0.324 RESID 48 (C): N 123.800 123.800 124.486 -0.686 RESID 48 (C): C 173.800 173.800 174.377 -0.577 RESID 48 (C): CA 53.170 53.170 57.901 -4.731 RESID 48 (C): CB 47.290 47.290 29.290 18.000 RESID 48 (C): H 8.881 8.881 8.685 0.196 RESID 49 (T): N 118.600 118.600 120.537 -1.937 RESID 49 (T): C 172.700 172.700 172.531 0.169 RESID 49 (T): CA 60.210 60.210 61.248 -1.038 RESID 49 (T): CB 70.980 70.980 71.091 -0.111 RESID 49 (T): H 8.324 8.324 8.868 -0.544 RESID 50 (F): N 123.800 123.800 125.889 -2.089 RESID 50 (F): C 175.800 175.800 175.942 -0.142 RESID 50 (F): CA 57.370 57.370 57.324 0.046 RESID 50 (F): CB 40.730 40.730 40.322 0.408 RESID 50 (F): H 8.982 8.982 8.619 0.363 RESID 51 (V): N 126.300 126.300 123.662 2.638 RESID 51 (V): C 174.700 174.700 174.707 -0.007 RESID 51 (V): CA 60.650 60.650 60.679 -0.029 RESID 51 (V): CB 33.700 33.700 35.406 -1.706 RESID 51 (V): H 9.271 9.271 9.129 0.142 RESID 52 (E): N 126.900 126.900 128.926 -2.026 RESID 52 (E): C 176.900 176.900 175.211 1.689 RESID 52 (E): CA 54.480 54.480 57.253 -2.773 RESID 52 (E): CB 29.350 29.350 30.400 -1.050 RESID 52 (E): H 8.617 8.617 8.774 -0.157 RESID 53 (N): N 127.100 127.100 120.680 6.420 RESID 53 (N): C 170.600 170.600 172.410 -1.810 RESID 53 (N): CA 51.220 51.220 51.523 -0.303 RESID 53 (N): CB 43.980 43.980 38.294 5.686 RESID 53 (N): H 8.917 8.917 8.227 0.690 RESID 54 (P): C 178.600 178.600 178.761 -0.161 RESID 54 (P): CA 61.650 61.650 62.344 -0.694 RESID 54 (P): CB 31.460 31.460 32.882 -1.422 RESID 55 (L): N 124.200 124.200 124.201 -0.001 RESID 55 (L): C 179.600 179.600 178.716 0.884 RESID 55 (L): CA 58.130 58.130 59.230 -1.100 RESID 55 (L): CB 41.470 41.470 41.374 0.096 RESID 55 (L): H 9.096 9.096 8.791 0.305 RESID 56 (D): N 115.400 115.400 119.046 -3.646 RESID 56 (D): C 176.500 176.500 177.325 -0.825 RESID 56 (D): CA 56.080 56.080 56.864 -0.784 RESID 56 (D): CB 39.640 39.640 40.172 -0.533 RESID 56 (D): H 8.651 8.651 8.530 0.121 RESID 57 (A): N 120.400 120.400 119.822 0.578 RESID 57 (A): C 180.000 180.000 178.746 1.254 RESID 57 (A): CA 51.440 51.440 53.517 -2.077 RESID 57 (A): CB 19.170 19.170 19.665 -0.495 RESID 57 (A): H 8.079 8.079 8.348 -0.269 RESID 58 (L): N 122.300 122.300 120.733 1.567 RESID 58 (L): C 177.800 177.800 178.832 -1.032 RESID 58 (L): CA 58.960 58.960 58.106 0.854 RESID 58 (L): CB 40.150 40.150 41.839 -1.689 RESID 58 (L): H 7.783 7.783 8.112 -0.329 RESID 59 (I): N 119.600 119.600 119.581 0.019 RESID 59 (I): C 176.400 176.400 175.165 1.235 RESID 59 (I): CA 68.170 68.170 66.526 1.643 RESID 59 (I): CB 33.980 33.980 34.683 -0.703 RESID 59 (I): H 9.094 9.094 7.778 1.316 RESID 60 (P): C 180.100 180.100 179.278 0.822 RESID 60 (P): CA 65.890 65.890 66.436 -0.546 RESID 60 (P): CB 29.980 29.980 31.196 -1.216 RESID 61 (S): N 114.800 114.800 114.725 0.075 RESID 61 (S): C 175.500 175.500 176.641 -1.141 RESID 61 (S): CA 62.170 62.170 62.203 -0.033 RESID 61 (S): H 7.865 7.865 8.287 -0.422 RESID 62 (L): N 126.200 126.200 123.361 2.839 RESID 62 (L): C 181.000 181.000 179.121 1.879 RESID 62 (L): CA 57.400 57.400 57.700 -0.300 RESID 62 (L): CB 41.820 41.820 41.785 0.035 RESID 62 (L): H 8.296 8.296 8.243 0.053 RESID 63 (K): N 121.000 121.000 119.024 1.976 RESID 63 (K): C 178.000 178.000 177.912 0.088 RESID 63 (K): CA 59.500 59.500 59.162 0.338 RESID 63 (K): CB 30.770 30.770 32.471 -1.700 RESID 63 (K): H 8.461 8.461 7.748 0.713 RESID 64 (A): N 118.700 118.700 118.708 -0.008 RESID 64 (A): C 176.200 176.200 176.678 -0.478 RESID 64 (A): CA 51.680 51.680 51.988 -0.308 RESID 64 (A): CB 18.140 18.140 18.574 -0.434 RESID 64 (A): H 7.686 7.686 7.960 -0.274 RESID 65 (K): N 112.200 112.200 113.968 -1.768 RESID 65 (K): C 176.000 176.000 176.510 -0.510 RESID 65 (K): CA 57.800 57.800 58.001 -0.201 RESID 65 (K): CB 27.730 27.730 29.923 -2.193 RESID 65 (K): H 7.751 7.751 7.677 0.074 RESID 66 (K): N 118.300 118.300 115.430 2.870 RESID 66 (K): C 176.600 176.600 177.106 -0.506 RESID 66 (K): CA 57.200 57.200 58.455 -1.255 RESID 66 (K): CB 32.170 32.170 33.011 -0.841 RESID 66 (K): H 8.415 8.415 7.770 0.645 RESID 67 (I): N 107.500 107.500 112.485 -4.985 RESID 67 (I): C 174.000 174.000 175.379 -1.379 RESID 67 (I): CA 59.050 59.050 59.031 0.019 RESID 67 (I): CB 40.470 40.470 41.049 -0.579 RESID 67 (I): H 7.034 7.034 7.235 -0.201 RESID 68 (D): N 119.000 119.000 121.982 -2.982 RESID 68 (D): C 172.200 172.200 175.763 -3.563 RESID 68 (D): CA 55.560 55.560 55.346 0.214 RESID 68 (D): CB 44.210 44.210 42.602 1.608 RESID 68 (D): H 9.739 9.739 8.480 1.259 RESID 69 (A): N 117.400 117.400 118.236 -0.836 RESID 69 (A): C 175.900 175.900 174.846 1.054 RESID 69 (A): CA 50.120 50.120 51.167 -1.047 RESID 69 (A): CB 21.960 21.960 22.163 -0.203 RESID 69 (A): H 7.660 7.660 7.687 -0.027 RESID 70 (I): N 120.500 120.500 120.802 -0.302 RESID 70 (I): C 174.500 174.500 174.333 0.167 RESID 70 (I): CA 60.060 60.060 60.672 -0.612 RESID 70 (I): CB 41.190 41.190 40.975 0.215 RESID 70 (I): H 9.402 9.402 8.045 1.357 RESID 71 (M): N 128.300 128.300 129.169 -0.869 RESID 71 (M): C 172.500 172.500 173.821 -1.321 RESID 71 (M): CA 53.040 53.040 55.038 -1.998 RESID 71 (M): CB 33.940 33.940 34.061 -0.121 RESID 71 (M): H 8.431 8.431 8.234 0.197 RESID 72 (S): N 122.700 122.700 120.542 2.158 RESID 72 (S): C 172.800 172.800 173.785 -0.985 RESID 72 (S): CA 57.630 57.630 56.731 0.899 RESID 72 (S): CB 64.590 64.590 65.202 -0.612 RESID 72 (S): H 8.717 8.717 8.581 0.136 RESID 73 (S): N 120.600 120.600 115.831 4.769 RESID 73 (S): C 174.900 174.900 174.802 0.098 RESID 73 (S): CA 58.590 58.590 59.584 -0.994 RESID 73 (S): CB 62.920 62.920 62.836 0.084 RESID 73 (S): H 8.570 8.570 8.649 -0.079 RESID 74 (L): N 120.700 120.700 123.787 -3.087 RESID 74 (L): C 175.300 175.300 176.049 -0.749 RESID 74 (L): CA 54.320 54.320 55.664 -1.345 RESID 74 (L): CB 42.350 42.350 42.839 -0.489 RESID 74 (L): H 8.678 8.678 7.459 1.219 RESID 75 (S): N 122.000 122.000 119.762 2.238 RESID 75 (S): C 174.500 174.500 173.653 0.847 RESID 75 (S): CA 59.250 59.250 57.111 2.139 RESID 75 (S): CB 63.060 63.060 64.771 -1.711 RESID 75 (S): H 8.142 8.142 7.856 0.286 RESID 76 (I): N 125.200 125.200 115.595 9.605 RESID 76 (I): C 175.500 175.500 174.610 0.890 RESID 76 (I): CA 61.340 61.340 59.550 1.790 RESID 76 (I): CB 35.790 35.790 39.652 -3.862 RESID 76 (I): H 8.307 8.307 8.236 0.071 RESID 77 (T): N 116.600 116.600 113.506 3.094 RESID 77 (T): C 174.800 174.800 175.072 -0.272 RESID 77 (T): CA 57.760 57.760 59.989 -2.229 RESID 77 (T): CB 71.570 71.570 72.303 -0.733 RESID 77 (T): H 6.513 6.513 7.528 -1.015 RESID 78 (E): N 124.500 124.500 124.913 -0.413 RESID 78 (E): C 179.500 179.500 177.885 1.615 RESID 78 (E): CA 59.140 59.140 60.868 -1.728 RESID 78 (E): CB 28.630 28.630 29.271 -0.641 RESID 78 (E): H 8.935 8.935 8.910 0.025 RESID 79 (K): N 118.400 118.400 118.294 0.106 RESID 79 (K): C 180.600 180.600 179.036 1.564 RESID 79 (K): CA 58.890 58.890 59.185 -0.295 RESID 79 (K): CB 31.610 31.610 32.301 -0.691 RESID 79 (K): H 8.415 8.415 8.370 0.045 RESID 80 (R): N 118.500 118.500 118.835 -0.335 RESID 80 (R): C 179.100 179.100 178.953 0.147 RESID 80 (R): CA 59.580 59.580 59.206 0.374 RESID 80 (R): CB 30.380 30.380 30.073 0.307 RESID 80 (R): H 7.678 7.678 7.399 0.279 RESID 81 (Q): N 119.000 119.000 119.684 -0.684 RESID 81 (Q): C 176.600 176.600 178.614 -2.014 RESID 81 (Q): CA 57.510 57.510 58.978 -1.468 RESID 81 (Q): CB 28.880 28.880 28.584 0.296 RESID 81 (Q): H 8.418 8.418 8.285 0.133 RESID 82 (Q): N 115.300 115.300 117.377 -2.077 RESID 82 (Q): C 177.400 177.400 177.971 -0.571 RESID 82 (Q): CA 57.280 57.280 58.341 -1.061 RESID 82 (Q): CB 27.950 27.950 28.525 -0.575 RESID 82 (Q): H 7.297 7.297 7.909 -0.612 RESID 83 (E): N 115.600 115.600 117.727 -2.127 RESID 83 (E): C 176.400 176.400 177.302 -0.902 RESID 83 (E): CA 56.950 56.950 58.371 -1.421 RESID 83 (E): CB 33.090 33.090 31.196 1.894 RESID 83 (E): H 7.627 7.627 7.924 -0.297 RESID 84 (I): N 115.100 115.100 111.864 3.236 RESID 84 (I): C 172.600 172.600 173.938 -1.338 RESID 84 (I): CA 59.380 59.380 58.900 0.480 RESID 84 (I): CB 40.830 40.830 41.510 -0.680 RESID 84 (I): H 8.275 8.275 7.972 0.303 RESID 85 (A): N 120.600 120.600 120.379 0.221 RESID 85 (A): C 175.000 175.000 175.260 -0.260 RESID 85 (A): CA 49.150 49.150 50.270 -1.120 RESID 85 (A): CB 22.280 22.280 21.429 0.851 RESID 85 (A): H 8.679 8.679 8.410 0.269 RESID 86 (F): N 115.500 115.500 119.071 -3.571 RESID 86 (F): C 178.800 178.800 175.815 2.985 RESID 86 (F): CA 55.850 55.850 56.907 -1.057 RESID 86 (F): CB 44.300 44.300 44.045 0.255 RESID 86 (F): H 8.283 8.283 8.612 -0.329 RESID 87 (T): N 108.200 108.200 114.949 -6.749 RESID 87 (T): C 174.700 174.700 173.801 0.899 RESID 87 (T): CA 61.930 61.930 61.157 0.773 RESID 87 (T): CB 72.740 72.740 70.072 2.668 RESID 87 (T): H 7.898 7.898 8.386 -0.488 RESID 88 (D): N 118.400 118.400 120.426 -2.026 RESID 88 (D): C 174.300 174.300 175.635 -1.335 RESID 88 (D): CA 55.030 55.030 55.785 -0.755 RESID 88 (D): CB 40.870 40.870 39.813 1.057 RESID 88 (D): H 8.789 8.789 8.803 -0.014 RESID 89 (K): N 118.100 118.100 116.602 1.498 RESID 89 (K): C 176.200 176.200 176.701 -0.501 RESID 89 (K): CA 55.570 55.570 57.273 -1.703 RESID 89 (K): CB 31.850 31.850 31.536 0.314 RESID 89 (K): H 7.666 7.666 7.689 -0.023 RESID 90 (L): N 123.400 123.400 126.359 -2.959 RESID 90 (L): C 178.000 178.000 177.723 0.277 RESID 90 (L): CA 54.450 54.450 57.311 -2.861 RESID 90 (L): CB 41.710 41.710 43.303 -1.593 RESID 90 (L): H 8.778 8.778 8.751 0.027 RESID 91 (Y): N 110.500 110.500 109.943 0.557 RESID 91 (Y): C 172.600 172.600 173.677 -1.077 RESID 91 (Y): CA 56.070 56.070 55.521 0.549 RESID 91 (Y): CB 37.670 37.670 40.545 -2.875 RESID 91 (Y): H 6.810 6.810 7.179 -0.369 RESID 92 (A): N 123.100 123.100 122.507 0.593 RESID 92 (A): C 175.600 175.600 176.773 -1.173 RESID 92 (A): CA 51.940 51.940 51.085 0.855 RESID 92 (A): CB 20.320 20.320 19.593 0.727 RESID 92 (A): H 8.135 8.135 9.099 -0.964 RESID 93 (A): N 127.000 127.000 127.798 -0.798 RESID 93 (A): C 175.700 175.700 176.668 -0.968 RESID 93 (A): CA 51.020 51.020 50.673 0.347 RESID 93 (A): CB 18.310 18.310 18.354 -0.044 RESID 93 (A): H 8.658 8.658 8.371 0.287 RESID 94 (D): N 122.900 122.900 121.680 1.220 RESID 94 (D): C 175.300 175.300 176.125 -0.825 RESID 94 (D): CA 53.910 53.910 55.138 -1.228 RESID 94 (D): CB 42.030 42.030 42.267 -0.237 RESID 94 (D): H 8.497 8.497 7.740 0.757 RESID 95 (S): N 110.300 110.300 112.164 -1.864 RESID 95 (S): C 171.600 171.600 173.058 -1.458 RESID 95 (S): CA 57.850 57.850 57.375 0.475 RESID 95 (S): CB 66.410 66.410 66.496 -0.086 RESID 95 (S): H 6.844 6.844 7.876 -1.032 RESID 96 (R): N 124.300 124.300 119.743 4.557 RESID 96 (R): C 173.700 173.700 173.859 -0.159 RESID 96 (R): CA 57.450 57.450 55.850 1.600 RESID 96 (R): CB 34.070 34.070 34.374 -0.304 RESID 96 (R): H 9.227 9.227 8.828 0.399 RESID 97 (L): N 124.100 124.100 125.010 -0.910 RESID 97 (L): C 177.600 177.600 175.914 1.686 RESID 97 (L): CA 54.150 54.150 53.824 0.326 RESID 97 (L): CB 42.640 42.640 44.414 -1.774 RESID 97 (L): H 9.343 9.343 8.055 1.288 RESID 98 (V): N 124.500 124.500 123.672 0.828 RESID 98 (V): C 175.700 175.700 174.952 0.748 RESID 98 (V): CA 61.770 61.770 60.918 0.852 RESID 98 (V): CB 32.950 32.950 32.626 0.324 RESID 98 (V): H 9.500 9.500 8.025 1.475 RESID 99 (V): N 116.800 116.800 122.166 -5.366 RESID 99 (V): C 174.600 174.600 173.978 0.622 RESID 99 (V): CA 58.190 58.190 58.989 -0.799 RESID 99 (V): CB 36.780 36.780 35.915 0.865 RESID 99 (V): H 9.192 9.192 8.123 1.069 RESID 100 (A): N 123.400 123.400 122.359 1.041 RESID 100 (A): C 179.200 179.200 178.538 0.662 RESID 100 (A): CA 52.690 52.690 50.556 2.134 RESID 100 (A): CB 18.160 18.160 19.931 -1.771 RESID 100 (A): H 9.043 9.043 8.356 0.687 RESID 101 (K): N 119.600 119.600 123.651 -4.051 RESID 101 (K): C 176.800 176.800 177.005 -0.205 RESID 101 (K): CA 59.360 59.360 58.979 0.381 RESID 101 (K): CB 31.380 31.380 31.864 -0.484 RESID 101 (K): H 7.840 7.840 8.914 -1.074 RESID 102 (N): N 114.400 114.400 115.570 -1.170 RESID 102 (N): C 175.500 175.500 175.243 0.257 RESID 102 (N): CA 52.330 52.330 54.630 -2.300 RESID 102 (N): CB 36.990 36.990 38.613 -1.623 RESID 102 (N): H 7.941 7.941 8.166 -0.225 RESID 103 (S): N 114.800 114.800 114.661 0.139 RESID 103 (S): C 176.000 176.000 173.268 2.732 RESID 103 (S): CA 58.180 58.180 57.473 0.707 RESID 103 (S): CB 64.310 64.310 63.904 0.406 RESID 103 (S): H 7.700 7.700 7.629 0.071 RESID 104 (D): N 128.500 128.500 129.328 -0.828 RESID 104 (D): C 176.700 176.700 174.993 1.707 RESID 104 (D): CA 52.990 52.990 53.978 -0.988 RESID 104 (D): CB 40.330 40.330 40.904 -0.574 RESID 104 (D): H 8.548 8.548 8.548 0.000 RESID 105 (I): N 122.800 122.800 123.910 -1.110 RESID 105 (I): C 173.800 173.800 174.489 -0.689 RESID 105 (I): CA 63.580 63.580 60.399 3.181 RESID 105 (I): CB 37.490 37.490 40.441 -2.951 RESID 105 (I): H 7.826 7.826 8.141 -0.315 RESID 106 (Q): N 124.600 124.600 125.168 -0.568 RESID 106 (Q): C 174.700 174.700 174.025 0.675 RESID 106 (Q): CA 51.380 51.380 52.030 -0.650 RESID 106 (Q): CB 31.050 31.050 29.095 1.956 RESID 106 (Q): H 8.174 8.174 8.354 -0.180 RESID 107 (P): C 175.300 175.300 175.778 -0.478 RESID 107 (P): CA 61.880 61.880 63.679 -1.799 RESID 107 (P): CB 26.860 26.860 30.749 -3.889 RESID 108 (T): N 114.600 114.600 117.657 -3.057 RESID 108 (T): C 174.000 174.000 174.393 -0.393 RESID 108 (T): CA 57.690 57.690 61.583 -3.893 RESID 108 (T): CB 71.020 71.020 72.101 -1.081 RESID 108 (T): H 8.531 8.531 7.742 0.789 RESID 109 (V): N 121.800 121.800 123.652 -1.852 RESID 109 (V): C 177.300 177.300 176.927 0.373 RESID 109 (V): CA 65.600 65.600 64.789 0.811 RESID 109 (V): CB 30.580 30.580 32.764 -2.184 RESID 109 (V): H 8.775 8.775 8.492 0.283 RESID 110 (E): N 116.900 116.900 120.827 -3.927 RESID 110 (E): C 178.400 178.400 178.655 -0.255 RESID 110 (E): CA 59.260 59.260 60.149 -0.889 RESID 110 (E): CB 28.170 28.170 29.045 -0.875 RESID 110 (E): H 8.414 8.414 8.391 0.023 RESID 111 (S): N 113.200 113.200 113.421 -0.221 RESID 111 (S): C 176.500 176.500 175.928 0.572 RESID 111 (S): CA 59.370 59.370 60.977 -1.607 RESID 111 (S): CB 63.730 63.730 62.526 1.204 RESID 111 (S): H 7.387 7.387 8.426 -1.039 RESID 112 (L): N 116.100 116.100 120.447 -4.347 RESID 112 (L): C 176.700 176.700 176.708 -0.008 RESID 112 (L): CA 54.580 54.580 55.449 -0.869 RESID 112 (L): CB 42.650 42.650 42.556 0.094 RESID 112 (L): H 7.676 7.676 7.324 0.352 RESID 113 (K): N 121.000 121.000 119.151 1.849 RESID 113 (K): C 178.200 178.200 177.480 0.720 RESID 113 (K): CA 58.850 58.850 58.217 0.633 RESID 113 (K): CB 30.850 30.850 32.253 -1.403 RESID 113 (K): H 7.445 7.445 7.699 -0.254 RESID 114 (G): N 113.900 113.900 112.943 0.957 RESID 114 (G): C 174.200 174.200 174.790 -0.590 RESID 114 (G): CA 45.240 45.240 45.333 -0.092 RESID 114 (G): H 8.454 8.454 8.354 0.100 RESID 115 (K): N 120.600 120.600 121.735 -1.135 RESID 115 (K): C 174.800 174.800 176.099 -1.299 RESID 115 (K): CA 53.710 53.710 54.742 -1.032 RESID 115 (K): CB 31.990 31.990 33.313 -1.323 RESID 115 (K): H 8.530 8.530 7.870 0.660 RESID 116 (R): N 119.300 119.300 120.601 -1.301 RESID 116 (R): C 176.000 176.000 175.434 0.566 RESID 116 (R): CA 54.720 54.720 55.832 -1.112 RESID 116 (R): CB 32.310 32.310 31.725 0.585 RESID 116 (R): H 9.455 9.455 8.438 1.017 RESID 117 (V): N 126.100 126.100 123.073 3.027 RESID 117 (V): C 175.300 175.300 175.003 0.297 RESID 117 (V): CA 60.090 60.090 60.369 -0.279 RESID 117 (V): CB 33.620 33.620 35.430 -1.810 RESID 117 (V): H 9.217 9.217 8.616 0.601 RESID 118 (G): N 114.000 114.000 113.461 0.539 RESID 118 (G): C 172.300 172.300 172.639 -0.339 RESID 118 (G): CA 45.010 45.010 43.607 1.403 RESID 118 (G): H 9.367 9.367 8.015 1.352 RESID 119 (V): N 116.400 116.400 122.393 -5.993 RESID 119 (V): C 174.100 174.100 174.032 0.068 RESID 119 (V): CA 58.270 58.270 60.452 -2.182 RESID 119 (V): CB 36.370 36.370 36.990 -0.620 RESID 119 (V): H 9.166 9.166 9.305 -0.139 RESID 120 (L): N 124.400 124.400 124.119 0.281 RESID 120 (L): C 176.900 176.900 175.658 1.242 RESID 120 (L): CA 53.690 53.690 53.960 -0.270 RESID 120 (L): CB 41.240 41.240 42.718 -1.478 RESID 120 (L): H 8.961 8.961 8.825 0.136 RESID 121 (Q): N 128.000 128.000 127.140 0.860 RESID 121 (Q): C 176.900 176.900 177.244 -0.344 RESID 121 (Q): CA 56.680 56.680 57.078 -0.398 RESID 121 (Q): CB 27.920 27.920 29.529 -1.609 RESID 121 (Q): H 9.305 9.305 8.988 0.317 RESID 122 (G): N 113.600 113.600 113.631 -0.031 RESID 122 (G): C 175.100 175.100 173.556 1.544 RESID 122 (G): CA 45.240 45.240 45.470 -0.230 RESID 122 (G): H 9.383 9.383 8.762 0.621 RESID 123 (T): N 108.400 108.400 110.099 -1.699 RESID 123 (T): C 176.800 176.800 174.402 2.398 RESID 123 (T): CA 60.260 60.260 59.993 0.267 RESID 123 (T): CB 73.530 73.530 70.648 2.882 RESID 123 (T): H 7.220 7.220 7.736 -0.516 RESID 124 (T): N 113.900 113.900 112.532 1.368 RESID 124 (T): C 178.100 178.100 176.529 1.571 RESID 124 (T): CA 63.990 63.990 64.673 -0.683 RESID 124 (T): CB 67.740 67.740 68.715 -0.975 RESID 124 (T): H 8.934 8.934 8.657 0.277 RESID 125 (Q): N 120.600 120.600 122.416 -1.816 RESID 125 (Q): C 178.300 178.300 178.089 0.211 RESID 125 (Q): CA 61.670 61.670 59.761 1.909 RESID 125 (Q): CB 25.310 25.310 28.045 -2.735 RESID 125 (Q): H 7.521 7.521 8.270 -0.749 RESID 126 (E): N 121.900 121.900 119.763 2.137 RESID 126 (E): C 177.600 177.600 178.893 -1.293 RESID 126 (E): CA 59.630 59.630 59.834 -0.204 RESID 126 (E): CB 28.730 28.730 29.637 -0.908 RESID 126 (E): H 7.717 7.717 7.808 -0.091 RESID 127 (T): N 117.800 117.800 116.219 1.581 RESID 127 (T): C 176.200 176.200 176.376 -0.176 RESID 127 (T): CA 66.340 66.340 66.808 -0.468 RESID 127 (T): CB 67.590 67.590 68.721 -1.131 RESID 127 (T): H 8.175 8.175 7.616 0.559 RESID 128 (F): N 121.900 121.900 121.975 -0.075 RESID 128 (F): C 178.000 178.000 177.529 0.471 RESID 128 (F): CA 61.590 61.590 60.727 0.863 RESID 128 (F): CB 38.810 38.810 38.925 -0.115 RESID 128 (F): H 8.882 8.882 8.608 0.274 RESID 129 (G): N 107.000 107.000 107.120 -0.120 RESID 129 (G): C 176.100 176.100 176.488 -0.388 RESID 129 (G): CA 46.690 46.690 47.202 -0.512 RESID 129 (G): H 8.900 8.900 9.163 -0.263 RESID 130 (N): N 123.000 123.000 118.450 4.550 RESID 130 (N): C 176.200 176.200 175.829 0.371 RESID 130 (N): CA 55.400 55.400 55.345 0.055 RESID 130 (N): CB 37.570 37.570 38.197 -0.627 RESID 130 (N): H 8.915 8.915 8.575 0.340 RESID 131 (E): N 119.000 119.000 116.713 2.287 RESID 131 (E): C 177.900 177.900 177.096 0.804 RESID 131 (E): CA 57.940 57.940 56.702 1.238 RESID 131 (E): CB 29.350 29.350 30.765 -1.415 RESID 131 (E): H 7.907 7.907 7.480 0.427 RESID 132 (H): N 112.600 112.600 118.641 -6.041 RESID 132 (H): C 175.900 175.900 175.542 0.358 RESID 132 (H): CA 56.910 56.910 58.798 -1.888 RESID 132 (H): CB 30.510 30.510 29.805 0.705 RESID 132 (H): H 7.877 7.877 7.882 -0.005 RESID 133 (W): N 119.300 119.300 117.433 1.867 RESID 133 (W): C 176.800 176.800 176.183 0.617 RESID 133 (W): CA 55.570 55.570 56.535 -0.965 RESID 133 (W): CB 30.400 30.400 29.733 0.666 RESID 133 (W): H 7.653 7.653 7.487 0.166 RESID 134 (A): N 125.400 125.400 124.645 0.755 RESID 134 (A): C 177.700 177.700 177.221 0.479 RESID 134 (A): CA 55.410 55.410 54.625 0.785 RESID 134 (A): CB 15.990 15.990 16.810 -0.820 RESID 134 (A): H 8.711 8.711 7.532 1.179 RESID 135 (P): C 177.200 177.200 177.427 -0.227 RESID 135 (P): CA 64.510 64.510 64.201 0.310 RESID 135 (P): CB 30.800 30.800 30.978 -0.178 RESID 136 (K): N 115.800 115.800 116.244 -0.444 RESID 136 (K): C 176.500 176.500 177.621 -1.121 RESID 136 (K): CA 53.530 53.530 55.917 -2.387 RESID 136 (K): CB 31.430 31.430 32.013 -0.583 RESID 136 (K): H 7.665 7.665 8.151 -0.486 RESID 137 (G): N 106.100 106.100 108.345 -2.245 RESID 137 (G): C 174.300 174.300 173.528 0.772 RESID 137 (G): CA 45.740 45.740 45.367 0.373 RESID 137 (G): H 7.864 7.864 7.663 0.201 RESID 138 (I): N 124.400 124.400 119.370 5.030 RESID 138 (I): C 174.400 174.400 174.793 -0.393 RESID 138 (I): CA 60.460 60.460 60.113 0.347 RESID 138 (I): CB 38.080 38.080 39.851 -1.771 RESID 138 (I): H 6.889 6.889 7.477 -0.588 RESID 139 (E): N 128.400 128.400 127.264 1.136 RESID 139 (E): C 173.900 173.900 175.097 -1.197 RESID 139 (E): CA 56.050 56.050 55.597 0.453 RESID 139 (E): CB 29.490 29.490 31.216 -1.726 RESID 139 (E): H 8.230 8.230 8.336 -0.106 RESID 140 (I): N 129.500 129.500 121.701 7.799 RESID 140 (I): C 176.100 176.100 174.775 1.325 RESID 140 (I): CA 57.100 57.100 59.026 -1.925 RESID 140 (I): CB 34.440 34.440 40.568 -6.128 RESID 140 (I): H 8.642 8.642 8.360 0.282 RESID 141 (V): N 133.000 133.000 125.268 7.732 RESID 141 (V): C 174.400 174.400 174.501 -0.101 RESID 141 (V): CA 61.060 61.060 61.153 -0.092 RESID 141 (V): CB 32.410 32.410 36.197 -3.787 RESID 141 (V): H 9.387 9.387 8.957 0.430 RESID 142 (S): N 122.900 122.900 120.089 2.811 RESID 142 (S): C 175.000 175.000 173.533 1.467 RESID 142 (S): CA 57.710 57.710 57.326 0.384 RESID 142 (S): CB 63.710 63.710 63.766 -0.056 RESID 142 (S): H 8.490 8.490 8.388 0.102 RESID 143 (Y): N 123.400 123.400 126.036 -2.636 RESID 143 (Y): C 175.900 175.900 176.391 -0.491 RESID 143 (Y): CA 57.300 57.300 57.710 -0.410 RESID 143 (Y): CB 42.300 42.300 41.329 0.971 RESID 143 (Y): H 8.979 8.979 9.275 -0.296 RESID 144 (Q): N 119.500 119.500 120.065 -0.565 RESID 144 (Q): C 176.000 176.000 174.916 1.084 RESID 144 (Q): CA 56.490 56.490 55.918 0.572 RESID 144 (Q): CB 28.470 28.470 29.864 -1.394 RESID 144 (Q): H 8.974 8.974 8.742 0.232 RESID 145 (G): N 106.800 106.800 107.321 -0.521 RESID 145 (G): C 173.500 173.500 174.159 -0.659 RESID 145 (G): CA 44.300 44.300 44.318 -0.018 RESID 145 (G): H 7.531 7.531 7.860 -0.329 RESID 146 (Q): N 124.300 124.300 122.862 1.438 RESID 146 (Q): C 177.200 177.200 177.351 -0.151 RESID 146 (Q): CA 57.800 57.800 58.798 -0.998 RESID 146 (Q): CB 28.190 28.190 28.633 -0.443 RESID 146 (Q): H 8.949 8.949 8.861 0.088 RESID 147 (D): N 117.900 117.900 118.448 -0.548 RESID 147 (D): C 178.900 178.900 178.480 0.420 RESID 147 (D): CA 56.650 56.650 56.879 -0.229 RESID 147 (D): CB 38.890 38.890 39.738 -0.848 RESID 147 (D): H 8.746 8.746 8.785 -0.039 RESID 148 (N): N 117.500 117.500 117.841 -0.341 RESID 148 (N): C 176.700 176.700 177.264 -0.564 RESID 148 (N): CA 55.160 55.160 55.711 -0.550 RESID 148 (N): CB 38.700 38.700 38.118 0.582 RESID 148 (N): H 7.496 7.496 8.541 -1.045 RESID 149 (I): N 120.000 120.000 119.757 0.243 RESID 149 (I): C 177.400 177.400 177.567 -0.167 RESID 149 (I): CA 64.450 64.450 64.986 -0.536 RESID 149 (I): CB 35.900 35.900 37.632 -1.732 RESID 149 (I): H 6.793 6.793 7.090 -0.297 RESID 150 (Y): N 117.400 117.400 118.013 -0.613 RESID 150 (Y): C 178.800 178.800 178.171 0.629 RESID 150 (Y): CA 59.730 59.730 61.623 -1.893 RESID 150 (Y): CB 35.970 35.970 37.703 -1.733 RESID 150 (Y): H 6.897 6.897 7.410 -0.513 RESID 151 (S): N 117.000 117.000 115.047 1.953 RESID 151 (S): C 177.000 177.000 177.055 -0.055 RESID 151 (S): CA 61.300 61.300 61.928 -0.628 RESID 151 (S): CB 62.100 62.100 62.520 -0.420 RESID 151 (S): H 8.186 8.186 8.258 -0.072 RESID 152 (D): N 122.300 122.300 123.413 -1.113 RESID 152 (D): C 179.000 179.000 178.348 0.652 RESID 152 (D): CA 56.580 56.580 56.852 -0.272 RESID 152 (D): CB 38.240 38.240 40.364 -2.124 RESID 152 (D): H 7.541 7.541 7.705 -0.164 RESID 153 (L): N 124.100 124.100 121.252 2.848 RESID 153 (L): C 180.300 180.300 178.506 1.794 RESID 153 (L): CA 58.160 58.160 57.552 0.608 RESID 153 (L): CB 41.630 41.630 41.820 -0.190 RESID 153 (L): H 8.372 8.372 7.862 0.510 RESID 154 (T): N 111.900 111.900 113.245 -1.345 RESID 154 (T): C 176.700 176.700 175.372 1.328 RESID 154 (T): CA 63.920 63.920 65.412 -1.492 RESID 154 (T): CB 68.700 68.700 68.992 -0.292 RESID 154 (T): H 8.389 8.389 8.316 0.073 RESID 155 (A): N 121.800 121.800 120.155 1.645 RESID 155 (A): C 178.200 178.200 178.049 0.151 RESID 155 (A): CA 51.640 51.640 52.323 -0.683 RESID 155 (A): CB 18.990 18.990 19.474 -0.484 RESID 155 (A): H 7.444 7.444 7.083 0.361 RESID 156 (G): N 107.800 107.800 107.183 0.617 RESID 156 (G): C 175.100 175.100 175.354 -0.254 RESID 156 (G): CA 45.420 45.420 45.191 0.229 RESID 156 (G): H 7.921 7.921 7.946 -0.025 RESID 157 (R): N 119.000 119.000 119.132 -0.132 RESID 157 (R): C 176.600 176.600 175.709 0.891 RESID 157 (R): CA 57.260 57.260 57.562 -0.302 RESID 157 (R): CB 30.400 30.400 30.759 -0.360 RESID 157 (R): H 8.443 8.443 8.108 0.335 RESID 158 (I): N 108.900 108.900 112.911 -4.011 RESID 158 (I): C 173.700 173.700 174.304 -0.604 RESID 158 (I): CA 59.900 59.900 59.222 0.678 RESID 158 (I): CB 40.070 40.070 41.010 -0.940 RESID 158 (I): H 7.109 7.109 7.126 -0.017 RESID 159 (D): N 119.100 119.100 123.919 -4.819 RESID 159 (D): C 174.700 174.700 175.652 -0.952 RESID 159 (D): CA 55.900 55.900 56.319 -0.419 RESID 159 (D): CB 43.630 43.630 41.703 1.927 RESID 159 (D): H 8.737 8.737 8.543 0.194 RESID 160 (A): N 116.400 116.400 116.446 -0.046 RESID 160 (A): C 174.900 174.900 174.319 0.581 RESID 160 (A): CA 50.190 50.190 51.487 -1.297 RESID 160 (A): CB 23.030 23.030 21.357 1.673 RESID 160 (A): H 7.702 7.702 7.162 0.540 RESID 161 (A): N 123.400 123.400 121.830 1.570 RESID 161 (A): C 175.500 175.500 175.678 -0.178 RESID 161 (A): CA 49.730 49.730 50.281 -0.551 RESID 161 (A): CB 21.110 21.110 21.599 -0.488 RESID 161 (A): H 8.915 8.915 7.994 0.921 RESID 162 (F): N 125.100 125.100 122.586 2.514 RESID 162 (F): C 172.900 172.900 175.013 -2.113 RESID 162 (F): CA 54.500 54.500 58.211 -3.711 RESID 162 (F): CB 39.400 39.400 38.794 0.607 RESID 162 (F): H 8.971 8.971 8.455 0.516 RESID 163 (Q): N 124.600 124.600 123.355 1.245 RESID 163 (Q): C 173.400 173.400 173.702 -0.302 RESID 163 (Q): CA 53.550 53.550 53.638 -0.088 RESID 163 (Q): CB 34.390 34.390 33.139 1.251 RESID 163 (Q): H 7.904 7.904 8.284 -0.380 RESID 164 (D): N 122.300 122.300 121.229 1.071 RESID 164 (D): C 175.800 175.800 177.234 -1.434 RESID 164 (D): CA 55.540 55.540 54.453 1.087 RESID 164 (D): CB 42.370 42.370 42.052 0.318 RESID 164 (D): H 8.304 8.304 8.439 -0.135 RESID 165 (E): N 128.600 128.600 122.847 5.753 RESID 165 (E): C 177.700 177.700 178.099 -0.399 RESID 165 (E): CA 60.230 60.230 60.118 0.112 RESID 165 (E): CB 30.020 30.020 29.817 0.203 RESID 165 (E): H 8.605 8.605 8.754 -0.149 RESID 166 (V): N 120.100 120.100 118.831 1.269 RESID 166 (V): C 178.300 178.300 177.272 1.028 RESID 166 (V): CA 66.800 66.800 66.683 0.117 RESID 166 (V): CB 30.070 30.070 30.244 -0.173 RESID 166 (V): H 8.748 8.748 8.168 0.580 RESID 167 (A): N 123.200 123.200 120.018 3.182 RESID 167 (A): C 182.500 182.500 179.076 3.424 RESID 167 (A): CA 54.980 54.980 54.698 0.282 RESID 167 (A): CB 17.910 17.910 18.031 -0.121 RESID 167 (A): H 8.655 8.655 7.896 0.759 RESID 168 (A): N 121.300 121.300 122.159 -0.859 RESID 168 (A): C 179.800 179.800 179.724 0.076 RESID 168 (A): CA 54.180 54.180 54.541 -0.361 RESID 168 (A): CB 18.750 18.750 18.421 0.329 RESID 168 (A): H 8.349 8.349 7.889 0.460 RESID 169 (S): N 113.400 113.400 114.422 -1.022 RESID 169 (S): C 175.700 175.700 176.190 -0.490 RESID 169 (S): CA 61.050 61.050 62.532 -1.482 RESID 169 (S): CB 63.050 63.050 62.649 0.401 RESID 169 (S): H 8.058 8.058 8.139 -0.081 RESID 170 (E): N 115.600 115.600 120.375 -4.775 RESID 170 (E): C 178.800 178.800 177.387 1.413 RESID 170 (E): CA 57.610 57.610 58.073 -0.463 RESID 170 (E): CB 29.790 29.790 29.045 0.745 RESID 170 (E): H 8.824 8.824 7.824 1.000 RESID 171 (G): N 103.400 103.400 104.924 -1.524 RESID 171 (G): C 173.700 173.700 174.977 -1.277 RESID 171 (G): CA 44.970 44.970 45.266 -0.295 RESID 171 (G): H 8.154 8.154 7.344 0.810 RESID 172 (F): N 120.100 120.100 122.510 -2.410 RESID 172 (F): C 175.200 175.200 177.689 -2.489 RESID 172 (F): CA 60.690 60.690 61.143 -0.453 RESID 172 (F): CB 40.740 40.740 39.091 1.649 RESID 172 (F): H 7.297 7.297 8.326 -1.029 RESID 173 (L): N 117.800 117.800 117.747 0.053 RESID 173 (L): C 179.000 179.000 178.294 0.706 RESID 173 (L): CA 57.670 57.670 56.872 0.798 RESID 173 (L): CB 40.020 40.020 41.827 -1.807 RESID 173 (L): H 8.470 8.470 7.524 0.946 RESID 174 (K): N 114.600 114.600 116.438 -1.838 RESID 174 (K): C 176.900 176.900 176.348 0.552 RESID 174 (K): CA 56.450 56.450 57.269 -0.819 RESID 174 (K): CB 31.770 31.770 32.651 -0.881 RESID 174 (K): H 8.018 8.018 7.562 0.456 RESID 175 (Q): N 118.800 118.800 117.094 1.706 RESID 175 (Q): C 176.000 176.000 173.951 2.049 RESID 175 (Q): CA 52.510 52.510 52.213 0.297 RESID 175 (Q): CB 26.740 26.740 29.759 -3.019 RESID 175 (Q): H 7.151 7.151 7.284 -0.133 RESID 176 (P): C 179.300 179.300 177.329 1.971 RESID 176 (P): CA 66.100 66.100 65.427 0.673 RESID 176 (P): CB 30.720 30.720 31.529 -0.809 RESID 177 (V): N 112.300 112.300 117.243 -4.943 RESID 177 (V): C 175.900 175.900 177.901 -2.001 RESID 177 (V): CA 62.860 62.860 65.939 -3.079 RESID 177 (V): CB 30.660 30.660 30.588 0.072 RESID 177 (V): H 7.480 7.480 7.692 -0.212 RESID 178 (G): N 109.700 109.700 105.774 3.926 RESID 178 (G): C 175.000 175.000 174.790 0.210 RESID 178 (G): CA 44.080 44.080 46.246 -2.166 RESID 178 (G): H 7.173 7.173 7.919 -0.746 RESID 179 (K): N 120.900 120.900 119.069 1.831 RESID 179 (K): C 177.100 177.100 177.690 -0.590 RESID 179 (K): CA 58.360 58.360 58.450 -0.090 RESID 179 (K): CB 31.260 31.260 32.280 -1.020 RESID 179 (K): H 6.972 6.972 7.403 -0.431 RESID 180 (D): N 117.200 117.200 117.348 -0.148 RESID 180 (D): C 173.900 173.900 175.872 -1.972 RESID 180 (D): CA 53.920 53.920 55.888 -1.968 RESID 180 (D): CB 39.690 39.690 41.368 -1.678 RESID 180 (D): H 8.036 8.036 7.451 0.585 RESID 181 (Y): N 120.500 120.500 114.955 5.545 RESID 181 (Y): C 172.300 172.300 173.486 -1.186 RESID 181 (Y): CA 57.890 57.890 57.728 0.162 RESID 181 (Y): CB 41.860 41.860 42.340 -0.480 RESID 181 (Y): H 7.768 7.768 7.443 0.325 RESID 182 (K): N 116.900 116.900 118.709 -1.809 RESID 182 (K): C 174.900 174.900 174.269 0.631 RESID 182 (K): CA 54.330 54.330 56.455 -2.125 RESID 182 (K): CB 35.610 35.610 33.358 2.252 RESID 182 (K): H 9.497 9.497 8.837 0.660 RESID 183 (F): N 117.900 117.900 121.093 -3.193 RESID 183 (F): C 177.800 177.800 175.148 2.652 RESID 183 (F): CA 56.780 56.780 57.887 -1.107 RESID 183 (F): CB 38.320 38.320 42.958 -4.638 RESID 183 (F): H 8.470 8.470 8.120 0.350 RESID 184 (G): N 113.700 113.700 108.974 4.726 RESID 184 (G): C 173.300 173.300 174.876 -1.576 RESID 184 (G): CA 46.900 46.900 44.923 1.977 RESID 184 (G): H 9.107 9.107 8.820 0.287 RESID 185 (G): N 111.000 111.000 108.785 2.215 RESID 185 (G): C 171.100 171.100 172.851 -1.751 RESID 185 (G): CA 44.530 44.530 45.465 -0.935 RESID 185 (G): H 7.702 7.702 8.255 -0.552 RESID 186 (P): C 175.500 175.500 176.201 -0.701 RESID 186 (P): CA 61.920 61.920 64.436 -2.516 RESID 186 (P): CB 32.640 32.640 31.842 0.798 RESID 187 (S): N 113.500 113.500 120.126 -6.626 RESID 187 (S): C 173.500 173.500 173.870 -0.370 RESID 187 (S): CA 57.930 57.930 57.451 0.479 RESID 187 (S): CB 63.260 63.260 65.689 -2.429 RESID 187 (S): H 8.452 8.452 8.323 0.129 RESID 188 (V): N 123.300 123.300 121.801 1.499 RESID 188 (V): C 173.900 173.900 173.614 0.286 RESID 188 (V): CA 61.800 61.800 62.303 -0.503 RESID 188 (V): CB 32.680 32.680 34.685 -2.005 RESID 188 (V): H 9.080 9.080 7.845 1.235 RESID 189 (K): N 125.200 125.200 122.438 2.762 RESID 189 (K): C 176.700 176.700 174.072 2.628 RESID 189 (K): CA 54.680 54.680 56.179 -1.499 RESID 189 (K): CB 33.780 33.780 34.714 -0.934 RESID 189 (K): H 8.123 8.123 8.135 -0.012 RESID 190 (D): N 120.300 120.300 122.066 -1.766 RESID 190 (D): C 175.300 175.300 176.885 -1.585 RESID 190 (D): CA 55.610 55.610 53.445 2.165 RESID 190 (D): CB 42.620 42.620 40.457 2.163 RESID 190 (D): H 8.823 8.823 8.273 0.550 RESID 191 (E): N 129.100 129.100 126.587 2.513 RESID 191 (E): C 177.300 177.300 177.559 -0.259 RESID 191 (E): CA 59.310 59.310 58.434 0.876 RESID 191 (E): CB 28.420 28.420 29.521 -1.101 RESID 191 (E): H 9.239 9.239 8.852 0.387 RESID 192 (K): N 118.000 118.000 119.289 -1.289 RESID 192 (K): C 178.200 178.200 178.047 0.153 RESID 192 (K): CA 58.140 58.140 58.918 -0.778 RESID 192 (K): CB 31.690 31.690 32.148 -0.458 RESID 192 (K): H 7.918 7.918 8.787 -0.869 RESID 193 (L): N 118.200 118.200 117.927 0.273 RESID 193 (L): C 177.700 177.700 177.462 0.238 RESID 193 (L): CA 55.790 55.790 56.840 -1.050 RESID 193 (L): CB 42.330 42.330 42.082 0.248 RESID 193 (L): H 8.362 8.362 7.131 1.231 RESID 194 (F): N 116.800 116.800 113.124 3.676 RESID 194 (F): C 178.200 178.200 175.821 2.379 RESID 194 (F): CA 54.620 54.620 57.477 -2.857 RESID 194 (F): CB 37.390 37.390 39.884 -2.494 RESID 194 (F): H 8.036 8.036 7.292 0.744 RESID 195 (G): N 106.900 106.900 108.867 -1.967 RESID 195 (G): C 174.200 174.200 174.571 -0.371 RESID 195 (G): CA 44.120 44.120 44.921 -0.801 RESID 195 (G): H 7.510 7.510 7.653 -0.143 RESID 196 (V): N 112.400 112.400 123.864 -11.464 RESID 196 (V): C 175.300 175.300 175.820 -0.520 RESID 196 (V): CA 60.720 60.720 63.998 -3.278 RESID 196 (V): CB 30.630 30.630 32.157 -1.527 RESID 196 (V): H 8.064 8.064 8.333 -0.269 RESID 197 (G): N 108.100 108.100 105.309 2.791 RESID 197 (G): C 172.300 172.300 171.963 0.337 RESID 197 (G): CA 43.210 43.210 45.362 -2.152 RESID 197 (G): H 7.788 7.788 7.303 0.485 RESID 198 (T): N 109.200 109.200 113.191 -3.991 RESID 198 (T): C 172.800 172.800 173.372 -0.572 RESID 198 (T): CA 59.090 59.090 59.561 -0.471 RESID 198 (T): CB 71.080 71.080 71.526 -0.446 RESID 198 (T): H 7.796 7.796 7.851 -0.055 RESID 199 (G): N 103.900 103.900 108.184 -4.284 RESID 199 (G): C 171.800 171.800 172.315 -0.515 RESID 199 (G): CA 43.840 43.840 45.709 -1.869 RESID 199 (G): H 7.928 7.928 7.775 0.153 RESID 200 (M): N 121.400 121.400 119.427 1.973 RESID 200 (M): C 176.200 176.200 176.034 0.166 RESID 200 (M): CA 55.260 55.260 54.825 0.435 RESID 200 (M): CB 33.390 33.390 35.611 -2.220 RESID 200 (M): H 7.971 7.971 8.233 -0.262 RESID 201 (G): N 112.200 112.200 110.412 1.788 RESID 201 (G): C 172.000 172.000 172.669 -0.669 RESID 201 (G): CA 44.540 44.540 44.304 0.236 RESID 201 (G): H 8.818 8.818 8.431 0.387 RESID 202 (L): N 124.700 124.700 124.870 -0.170 RESID 202 (L): C 176.000 176.000 175.934 0.066 RESID 202 (L): CA 53.740 53.740 52.830 0.910 RESID 202 (L): CB 46.010 46.010 46.028 -0.018 RESID 202 (L): H 8.767 8.767 8.663 0.104 RESID 203 (R): N 121.600 121.600 120.093 1.507 RESID 203 (R): C 180.400 180.400 177.911 2.489 RESID 203 (R): CA 57.130 57.130 55.464 1.666 RESID 203 (R): CB 29.650 29.650 31.282 -1.632 RESID 203 (R): H 10.270 10.270 8.131 2.139 RESID 204 (K): N 123.200 123.200 124.436 -1.236 RESID 204 (K): C 178.200 178.200 177.667 0.533 RESID 204 (K): CA 59.570 59.570 59.676 -0.106 RESID 204 (K): CB 31.840 31.840 32.147 -0.307 RESID 204 (K): H 9.231 9.231 8.670 0.561 RESID 205 (E): N 113.800 113.800 117.104 -3.304 RESID 205 (E): C 177.700 177.700 177.900 -0.200 RESID 205 (E): CA 57.230 57.230 58.229 -0.999 RESID 205 (E): CB 27.770 27.770 28.899 -1.129 RESID 205 (E): H 9.026 9.026 8.227 0.799 RESID 206 (D): N 126.000 126.000 120.852 5.148 RESID 206 (D): C 177.300 177.300 176.506 0.794 RESID 206 (D): CA 53.710 53.710 53.655 0.055 RESID 206 (D): CB 37.530 37.530 38.692 -1.162 RESID 206 (D): H 7.253 7.253 8.044 -0.791 RESID 207 (N): N 120.100 120.100 120.444 -0.344 RESID 207 (N): C 176.900 176.900 177.005 -0.105 RESID 207 (N): CA 56.950 56.950 56.436 0.514 RESID 207 (N): CB 38.820 38.820 38.895 -0.075 RESID 207 (N): H 7.839 7.839 8.718 -0.879 RESID 208 (E): N 120.500 120.500 118.965 1.535 RESID 208 (E): C 179.900 179.900 178.465 1.435 RESID 208 (E): CA 59.870 59.870 58.972 0.898 RESID 208 (E): CB 27.630 27.630 29.448 -1.819 RESID 208 (E): H 8.776 8.776 8.329 0.447 RESID 209 (L): N 122.900 122.900 120.449 2.451 RESID 209 (L): C 177.100 177.100 178.209 -1.109 RESID 209 (L): CA 57.400 57.400 57.551 -0.151 RESID 209 (L): CB 40.660 40.660 41.841 -1.181 RESID 209 (L): H 8.366 8.366 7.861 0.505 RESID 210 (R): N 119.100 119.100 118.751 0.349 RESID 210 (R): C 177.400 177.400 178.213 -0.813 RESID 210 (R): CA 59.970 59.970 59.740 0.230 RESID 210 (R): CB 30.110 30.110 30.025 0.085 RESID 210 (R): H 7.582 7.582 8.327 -0.745 RESID 211 (E): N 116.200 116.200 119.262 -3.062 RESID 211 (E): C 179.800 179.800 178.539 1.261 RESID 211 (E): CA 59.150 59.150 59.266 -0.116 RESID 211 (E): CB 28.600 28.600 29.592 -0.992 RESID 211 (E): H 8.407 8.407 7.875 0.532 RESID 212 (A): N 123.500 123.500 122.688 0.812 RESID 212 (A): C 181.300 181.300 179.657 1.643 RESID 212 (A): CA 54.810 54.810 54.718 0.092 RESID 212 (A): CB 17.170 17.170 18.134 -0.964 RESID 212 (A): H 8.128 8.128 7.636 0.492 RESID 213 (L): N 121.200 121.200 119.624 1.576 RESID 213 (L): C 178.400 178.400 179.615 -1.215 RESID 213 (L): CA 57.710 57.710 58.202 -0.492 RESID 213 (L): CB 41.450 41.450 41.218 0.232 RESID 213 (L): H 8.364 8.364 8.059 0.305 RESID 214 (N): N 119.200 119.200 116.489 2.711 RESID 214 (N): C 179.700 179.700 177.855 1.845 RESID 214 (N): CA 55.260 55.260 55.885 -0.625 RESID 214 (N): CB 37.120 37.120 37.920 -0.800 RESID 214 (N): H 8.435 8.435 8.345 0.090 RESID 215 (K): N 123.800 123.800 121.327 2.473 RESID 215 (K): C 178.400 178.400 178.518 -0.118 RESID 215 (K): CA 59.090 59.090 59.400 -0.310 RESID 215 (K): CB 31.740 31.740 32.482 -0.742 RESID 215 (K): H 8.080 8.080 8.454 -0.374 RESID 216 (A): N 122.200 122.200 121.764 0.436 RESID 216 (A): C 179.500 179.500 179.512 -0.012 RESID 216 (A): CA 54.140 54.140 54.887 -0.747 RESID 216 (A): CB 18.700 18.700 18.268 0.432 RESID 216 (A): H 7.935 7.935 8.240 -0.305 RESID 217 (F): N 119.500 119.500 120.124 -0.624 RESID 217 (F): C 177.200 177.200 176.980 0.220 RESID 217 (F): CA 61.390 61.390 60.302 1.088 RESID 217 (F): CB 38.000 38.000 39.073 -1.073 RESID 217 (F): H 8.916 8.916 8.330 0.586 RESID 218 (A): N 121.300 121.300 121.213 0.087 RESID 218 (A): C 182.100 182.100 179.680 2.420 RESID 218 (A): CA 54.810 54.810 55.209 -0.399 RESID 218 (A): CB 16.650 16.650 17.992 -1.342 RESID 218 (A): H 7.956 7.956 8.164 -0.208 RESID 219 (E): N 120.000 120.000 119.034 0.966 RESID 219 (E): C 178.600 178.600 179.005 -0.405 RESID 219 (E): CA 59.040 59.040 59.306 -0.266 RESID 219 (E): CB 28.320 28.320 29.483 -1.163 RESID 219 (E): H 7.952 7.952 7.842 0.110 RESID 220 (M): N 120.900 120.900 118.168 2.732 RESID 220 (M): C 179.000 179.000 178.537 0.463 RESID 220 (M): CA 57.430 57.430 59.489 -2.059 RESID 220 (M): CB 32.620 32.620 32.450 0.170 RESID 220 (M): H 8.190 8.190 8.076 0.114 RESID 221 (R): N 119.200 119.200 118.367 0.833 RESID 221 (R): C 179.300 179.300 178.892 0.408 RESID 221 (R): CA 58.710 58.710 58.938 -0.228 RESID 221 (R): CB 27.480 27.480 29.864 -2.384 RESID 221 (R): H 7.762 7.762 7.525 0.237 RESID 222 (A): N 122.500 122.500 122.105 0.395 RESID 222 (A): C 179.300 179.300 178.935 0.365 RESID 222 (A): CA 54.180 54.180 54.630 -0.450 RESID 222 (A): CB 18.030 18.030 18.548 -0.518 RESID 222 (A): H 7.838 7.838 7.741 0.097 RESID 223 (D): N 115.100 115.100 114.691 0.409 RESID 223 (D): C 177.900 177.900 177.265 0.635 RESID 223 (D): CA 53.020 53.020 53.139 -0.119 RESID 223 (D): CB 39.570 39.570 40.434 -0.864 RESID 223 (D): H 8.091 8.091 7.988 0.103 RESID 224 (G): N 106.700 106.700 108.840 -2.140 RESID 224 (G): C 176.000 176.000 176.008 -0.008 RESID 224 (G): CA 45.070 45.070 46.315 -1.244 RESID 224 (G): H 7.199 7.199 7.436 -0.237 RESID 225 (T): N 122.400 122.400 117.154 5.246 RESID 225 (T): C 175.700 175.700 175.325 0.375 RESID 225 (T): CA 67.610 67.610 67.858 -0.248 RESID 225 (T): CB 66.840 66.840 68.759 -1.919 RESID 225 (T): H 9.095 9.095 8.761 0.334 RESID 226 (Y): N 121.500 121.500 121.703 -0.203 RESID 226 (Y): C 176.000 176.000 176.910 -0.910 RESID 226 (Y): CA 62.530 62.530 62.305 0.225 RESID 226 (Y): CB 38.410 38.410 38.324 0.086 RESID 226 (Y): H 8.040 8.040 7.646 0.394 RESID 227 (E): N 118.200 118.200 118.729 -0.529 RESID 227 (E): C 178.200 178.200 178.692 -0.492 RESID 227 (E): CA 58.940 58.940 59.483 -0.543 RESID 227 (E): CB 28.810 28.810 29.129 -0.319 RESID 227 (E): H 8.153 8.153 8.591 -0.438 RESID 228 (K): N 119.100 119.100 120.401 -1.301 RESID 228 (K): C 179.500 179.500 179.063 0.437 RESID 228 (K): CA 59.260 59.260 59.504 -0.244 RESID 228 (K): CB 31.520 31.520 32.417 -0.897 RESID 228 (K): H 7.558 7.558 8.389 -0.831 RESID 229 (L): N 119.100 119.100 119.361 -0.261 RESID 229 (L): C 179.300 179.300 178.840 0.460 RESID 229 (L): CA 56.970 56.970 57.718 -0.748 RESID 229 (L): CB 41.520 41.520 41.859 -0.339 RESID 229 (L): H 8.055 8.055 8.063 -0.008 RESID 230 (A): N 121.200 121.200 122.119 -0.919 RESID 230 (A): C 180.500 180.500 179.246 1.254 RESID 230 (A): CA 54.890 54.890 55.536 -0.646 RESID 230 (A): CB 17.570 17.570 17.745 -0.175 RESID 230 (A): H 8.901 8.901 8.323 0.578 RESID 231 (K): N 117.200 117.200 117.988 -0.788 RESID 231 (K): C 177.700 177.700 178.160 -0.460 RESID 231 (K): CA 57.370 57.370 58.782 -1.412 RESID 231 (K): CB 31.330 31.330 32.358 -1.028 RESID 231 (K): H 8.062 8.062 8.114 -0.052 RESID 232 (K): N 117.600 117.600 116.750 0.850 RESID 232 (K): C 176.800 176.800 179.194 -2.394 RESID 232 (K): CA 57.890 57.890 58.645 -0.755 RESID 232 (K): CB 31.150 31.150 32.555 -1.405 RESID 232 (K): H 7.053 7.053 7.455 -0.402 RESID 233 (Y): N 114.000 114.000 117.054 -3.054 RESID 233 (Y): C 175.100 175.100 175.781 -0.681 RESID 233 (Y): CA 58.110 58.110 61.236 -3.126 RESID 233 (Y): CB 39.360 39.360 38.955 0.405 RESID 233 (Y): H 7.013 7.013 7.997 -0.984 RESID 234 (F): N 116.400 116.400 113.443 2.957 RESID 234 (F): C 175.800 175.800 173.435 2.365 RESID 234 (F): CA 54.920 54.920 56.741 -1.821 RESID 234 (F): CB 41.260 41.260 42.811 -1.551 RESID 234 (F): H 8.038 8.038 8.188 -0.150 RESID 235 (D): N 123.000 123.000 120.672 2.328 RESID 235 (D): C 174.500 174.500 175.120 -0.620 RESID 235 (D): CA 52.680 52.680 53.442 -0.762 RESID 235 (D): CB 39.860 39.860 39.834 0.026 RESID 235 (D): H 8.879 8.879 8.641 0.238 RESID 236 (F): N 115.500 115.500 122.059 -6.559 RESID 236 (F): C 173.600 173.600 173.559 0.041 RESID 236 (F): CA 53.950 53.950 56.363 -2.413 RESID 236 (F): CB 39.860 39.860 39.715 0.145 RESID 236 (F): H 6.793 6.793 7.477 -0.684 RESID 237 (D): N 119.700 119.700 122.139 -2.439 RESID 237 (D): C 175.800 175.800 177.085 -1.285 RESID 237 (D): CA 52.980 52.980 52.591 0.389 RESID 237 (D): CB 39.210 39.210 41.803 -2.593 RESID 237 (D): H 8.831 8.831 8.672 0.159 RESID 238 (V): N 129.900 129.900 122.547 7.353 RESID 238 (V): C 175.200 175.200 176.724 -1.524 RESID 238 (V): CA 61.840 61.840 65.078 -3.238 RESID 238 (V): CB 32.500 32.500 31.829 0.671 RESID 238 (V): H 7.376 7.376 8.394 -1.018 RESID 239 (Y): N 123.500 123.500 117.987 5.513 RESID 239 (Y): C 176.500 176.500 178.594 -2.094 RESID 239 (Y): CA 61.920 61.920 60.845 1.075 RESID 239 (Y): CB 38.010 38.010 37.877 0.133 RESID 239 (Y): H 8.314 8.314 8.396 -0.082 RESID 240 (G): N 104.100 104.100 104.515 -0.415 RESID 240 (G): C 174.600 174.600 174.802 -0.202 RESID 240 (G): CA 45.930 45.930 45.426 0.504 RESID 240 (G): H 7.428 7.428 7.987 -0.559 N HA C CA CB H RESID 6 (P): ----- ----- -0.723 -0.619 -0.730 ----- RESID 7 (Q): -0.330 ----- -0.461 -0.655 -0.643 -0.308 RESID 8 (N): 2.037 ----- -0.264 -0.642 -1.464 -0.360 RESID 9 (I): -1.441 ----- -0.170 -0.585 -0.570 -0.729 RESID 10 (R): -0.888 ----- 0.760 -1.461 -0.686 0.924 RESID 11 (I): 3.354 ----- 0.324 0.260 -4.140 0.262 RESID 12 (G): 0.452 ----- -1.488 0.223 ----- 0.889 RESID 13 (T): -1.466 ----- 8.350 -0.372 -1.589 0.780 RESID 14 (D): -0.792 ----- 3.145 -0.458 -1.501 -0.400 RESID 15 (P): ----- ----- -1.029 -1.443 -4.644 ----- RESID 16 (T): 5.380 ----- 0.715 -2.483 -1.204 0.437 RESID 17 (Y): 3.983 ----- -0.442 -1.985 0.124 0.865 RESID 18 (A): 2.429 ----- -0.473 -4.567 -0.180 0.027 RESID 19 (P): ----- ----- -4.308 -2.344 0.189 ----- RESID 20 (F): 7.809 ----- 1.243 2.929 -3.096 -0.173 RESID 21 (E): -2.703 ----- -0.754 -1.109 -5.217 -0.795 RESID 22 (S): 4.118 ----- -0.785 -1.283 -1.218 0.449 RESID 23 (K): -2.142 ----- 2.538 -1.669 -1.741 -0.016 RESID 24 (N): 1.094 ----- 0.928 -1.464 -1.872 -0.030 RESID 25 (S): ----- ----- 0.066 -0.038 -0.272 ----- RESID 26 (Q): -0.155 ----- -0.506 -0.364 -0.460 -0.352 RESID 27 (G): 1.195 ----- -0.278 0.059 ----- 0.369 RESID 28 (E): 1.602 ----- 0.255 -1.364 -0.961 -0.302 RESID 29 (L): 2.397 ----- 0.429 0.466 -2.031 -0.001 RESID 30 (V): -3.790 ----- 1.652 -1.732 -0.124 1.070 RESID 31 (G): -0.007 ----- 0.903 -1.328 ----- 1.184 RESID 32 (F): -2.662 ----- 2.000 -0.852 -0.341 0.190 RESID 33 (D): -2.465 ----- 0.976 -0.087 -1.833 1.269 RESID 34 (I): -1.099 ----- 0.042 -3.356 -4.318 -0.368 RESID 35 (D): 0.617 ----- 1.575 -0.354 0.089 0.738 RESID 36 (L): -0.359 ----- 0.512 -0.047 0.648 1.280 RESID 37 (A): -1.535 ----- -0.972 -0.079 -1.117 0.729 RESID 38 (K): -2.935 ----- 0.963 0.509 -0.528 0.616 RESID 39 (E): 2.118 ----- -1.076 -0.884 -1.508 -0.080 RESID 40 (L): 1.113 ----- -0.108 0.236 -1.519 0.730 RESID 41 (C): -2.761 ----- -1.660 -0.367 21.409 -0.048 RESID 42 (K): -0.349 ----- 1.689 -0.633 -0.928 -0.550 RESID 43 (R): 1.541 ----- 0.031 0.306 -0.243 0.447 RESID 44 (I): -5.731 ----- -0.837 -2.135 -1.571 -0.659 RESID 45 (N): 3.074 ----- -0.343 -0.955 0.696 -0.314 RESID 46 (T): 7.013 ----- 0.268 -0.253 -1.369 -0.012 RESID 47 (Q): 3.487 ----- 0.824 -0.551 -1.795 -0.324 RESID 48 (C): -0.686 ----- -0.577 -4.731 18.000 0.196 RESID 49 (T): -1.937 ----- 0.169 -1.038 -0.111 -0.544 RESID 50 (F): -2.089 ----- -0.142 0.046 0.408 0.363 RESID 51 (V): 2.638 ----- -0.007 -0.029 -1.706 0.142 RESID 52 (E): -2.026 ----- 1.689 -2.773 -1.050 -0.157 RESID 53 (N): 6.420 ----- -1.810 -0.303 5.686 0.690 RESID 54 (P): ----- ----- -0.161 -0.694 -1.422 ----- RESID 55 (L): -0.001 ----- 0.884 -1.100 0.096 0.305 RESID 56 (D): -3.646 ----- -0.825 -0.784 -0.533 0.121 RESID 57 (A): 0.578 ----- 1.254 -2.077 -0.495 -0.269 RESID 58 (L): 1.567 ----- -1.032 0.854 -1.689 -0.329 RESID 59 (I): 0.019 ----- 1.235 1.643 -0.703 1.316 RESID 60 (P): ----- ----- 0.822 -0.546 -1.216 ----- RESID 61 (S): 0.075 ----- -1.141 -0.033 ----- -0.422 RESID 62 (L): 2.839 ----- 1.879 -0.300 0.035 0.053 RESID 63 (K): 1.976 ----- 0.088 0.338 -1.700 0.713 RESID 64 (A): -0.008 ----- -0.478 -0.308 -0.434 -0.274 RESID 65 (K): -1.768 ----- -0.510 -0.201 -2.193 0.074 RESID 66 (K): 2.870 ----- -0.506 -1.255 -0.841 0.645 RESID 67 (I): -4.985 ----- -1.379 0.019 -0.579 -0.201 RESID 68 (D): -2.982 ----- -3.563 0.214 1.608 1.259 RESID 69 (A): -0.836 ----- 1.054 -1.047 -0.203 -0.027 RESID 70 (I): -0.302 ----- 0.167 -0.612 0.215 1.357 RESID 71 (M): -0.869 ----- -1.321 -1.998 -0.121 0.197 RESID 72 (S): 2.158 ----- -0.985 0.899 -0.612 0.136 RESID 73 (S): 4.769 ----- 0.098 -0.994 0.084 -0.079 RESID 74 (L): -3.087 ----- -0.749 -1.345 -0.489 1.219 RESID 75 (S): 2.238 ----- 0.847 2.139 -1.711 0.286 RESID 76 (I): 9.605 ----- 0.890 1.790 -3.862 0.071 RESID 77 (T): 3.094 ----- -0.272 -2.229 -0.733 -1.015 RESID 78 (E): -0.413 ----- 1.615 -1.728 -0.641 0.025 RESID 79 (K): 0.106 ----- 1.564 -0.295 -0.691 0.045 RESID 80 (R): -0.335 ----- 0.147 0.374 0.307 0.279 RESID 81 (Q): -0.684 ----- -2.014 -1.468 0.296 0.133 RESID 82 (Q): -2.077 ----- -0.571 -1.061 -0.575 -0.612 RESID 83 (E): -2.127 ----- -0.902 -1.421 1.894 -0.297 RESID 84 (I): 3.236 ----- -1.338 0.480 -0.680 0.303 RESID 85 (A): 0.221 ----- -0.260 -1.120 0.851 0.269 RESID 86 (F): -3.571 ----- 2.985 -1.057 0.255 -0.329 RESID 87 (T): -6.749 ----- 0.899 0.773 2.668 -0.488 RESID 88 (D): -2.026 ----- -1.335 -0.755 1.057 -0.014 RESID 89 (K): 1.498 ----- -0.501 -1.703 0.314 -0.023 RESID 90 (L): -2.959 ----- 0.277 -2.861 -1.593 0.027 RESID 91 (Y): 0.557 ----- -1.077 0.549 -2.875 -0.369 RESID 92 (A): 0.593 ----- -1.173 0.855 0.727 -0.964 RESID 93 (A): -0.798 ----- -0.968 0.347 -0.044 0.287 RESID 94 (D): 1.220 ----- -0.825 -1.228 -0.237 0.757 RESID 95 (S): -1.864 ----- -1.458 0.475 -0.086 -1.032 RESID 96 (R): 4.557 ----- -0.159 1.600 -0.304 0.399 RESID 97 (L): -0.910 ----- 1.686 0.326 -1.774 1.288 RESID 98 (V): 0.828 ----- 0.748 0.852 0.324 1.475 RESID 99 (V): -5.366 ----- 0.622 -0.799 0.865 1.069 RESID 100 (A): 1.041 ----- 0.662 2.134 -1.771 0.687 RESID 101 (K): -4.051 ----- -0.205 0.381 -0.484 -1.074 RESID 102 (N): -1.170 ----- 0.257 -2.300 -1.623 -0.225 RESID 103 (S): 0.139 ----- 2.732 0.707 0.406 0.071 RESID 104 (D): -0.828 ----- 1.707 -0.988 -0.574 0.000 RESID 105 (I): -1.110 ----- -0.689 3.181 -2.951 -0.315 RESID 106 (Q): -0.568 ----- 0.675 -0.650 1.956 -0.180 RESID 107 (P): ----- ----- -0.478 -1.799 -3.889 ----- RESID 108 (T): -3.057 ----- -0.393 -3.893 -1.081 0.789 RESID 109 (V): -1.852 ----- 0.373 0.811 -2.184 0.283 RESID 110 (E): -3.927 ----- -0.255 -0.889 -0.875 0.023 RESID 111 (S): -0.221 ----- 0.572 -1.607 1.204 -1.039 RESID 112 (L): -4.347 ----- -0.008 -0.869 0.094 0.352 RESID 113 (K): 1.849 ----- 0.720 0.633 -1.403 -0.254 RESID 114 (G): 0.957 ----- -0.590 -0.092 ----- 0.100 RESID 115 (K): -1.135 ----- -1.299 -1.032 -1.323 0.660 RESID 116 (R): -1.301 ----- 0.566 -1.112 0.585 1.017 RESID 117 (V): 3.027 ----- 0.297 -0.279 -1.810 0.601 RESID 118 (G): 0.539 ----- -0.339 1.403 ----- 1.352 RESID 119 (V): -5.993 ----- 0.068 -2.182 -0.620 -0.139 RESID 120 (L): 0.281 ----- 1.242 -0.270 -1.478 0.136 RESID 121 (Q): 0.860 ----- -0.344 -0.398 -1.609 0.317 RESID 122 (G): -0.031 ----- 1.544 -0.230 ----- 0.621 RESID 123 (T): -1.699 ----- 2.398 0.267 2.882 -0.516 RESID 124 (T): 1.368 ----- 1.571 -0.683 -0.975 0.277 RESID 125 (Q): -1.816 ----- 0.211 1.909 -2.735 -0.749 RESID 126 (E): 2.137 ----- -1.293 -0.204 -0.908 -0.091 RESID 127 (T): 1.581 ----- -0.176 -0.468 -1.131 0.559 RESID 128 (F): -0.075 ----- 0.471 0.863 -0.115 0.274 RESID 129 (G): -0.120 ----- -0.388 -0.512 ----- -0.263 RESID 130 (N): 4.550 ----- 0.371 0.055 -0.627 0.340 RESID 131 (E): 2.287 ----- 0.804 1.238 -1.415 0.427 RESID 132 (H): -6.041 ----- 0.358 -1.888 0.705 -0.005 RESID 133 (W): 1.867 ----- 0.617 -0.965 0.666 0.166 RESID 134 (A): 0.755 ----- 0.479 0.785 -0.820 1.179 RESID 135 (P): ----- ----- -0.227 0.310 -0.178 ----- RESID 136 (K): -0.444 ----- -1.121 -2.387 -0.583 -0.486 RESID 137 (G): -2.245 ----- 0.772 0.373 ----- 0.201 RESID 138 (I): 5.030 ----- -0.393 0.347 -1.771 -0.588 RESID 139 (E): 1.136 ----- -1.197 0.453 -1.726 -0.106 RESID 140 (I): 7.799 ----- 1.325 -1.925 -6.128 0.282 RESID 141 (V): 7.732 ----- -0.101 -0.092 -3.787 0.430 RESID 142 (S): 2.811 ----- 1.467 0.384 -0.056 0.102 RESID 143 (Y): -2.636 ----- -0.491 -0.410 0.971 -0.296 RESID 144 (Q): -0.565 ----- 1.084 0.572 -1.394 0.232 RESID 145 (G): -0.521 ----- -0.659 -0.018 ----- -0.329 RESID 146 (Q): 1.438 ----- -0.151 -0.998 -0.443 0.088 RESID 147 (D): -0.548 ----- 0.420 -0.229 -0.848 -0.039 RESID 148 (N): -0.341 ----- -0.564 -0.550 0.582 -1.045 RESID 149 (I): 0.243 ----- -0.167 -0.536 -1.732 -0.297 RESID 150 (Y): -0.613 ----- 0.629 -1.893 -1.733 -0.513 RESID 151 (S): 1.953 ----- -0.055 -0.628 -0.420 -0.072 RESID 152 (D): -1.113 ----- 0.652 -0.272 -2.124 -0.164 RESID 153 (L): 2.848 ----- 1.794 0.608 -0.190 0.510 RESID 154 (T): -1.345 ----- 1.328 -1.492 -0.292 0.073 RESID 155 (A): 1.645 ----- 0.151 -0.683 -0.484 0.361 RESID 156 (G): 0.617 ----- -0.254 0.229 ----- -0.025 RESID 157 (R): -0.132 ----- 0.891 -0.302 -0.360 0.335 RESID 158 (I): -4.011 ----- -0.604 0.678 -0.940 -0.017 RESID 159 (D): -4.819 ----- -0.952 -0.419 1.927 0.194 RESID 160 (A): -0.046 ----- 0.581 -1.297 1.673 0.540 RESID 161 (A): 1.570 ----- -0.178 -0.551 -0.488 0.921 RESID 162 (F): 2.514 ----- -2.113 -3.711 0.607 0.516 RESID 163 (Q): 1.245 ----- -0.302 -0.088 1.251 -0.380 RESID 164 (D): 1.071 ----- -1.434 1.087 0.318 -0.135 RESID 165 (E): 5.753 ----- -0.399 0.112 0.203 -0.149 RESID 166 (V): 1.269 ----- 1.028 0.117 -0.173 0.580 RESID 167 (A): 3.182 ----- 3.424 0.282 -0.121 0.759 RESID 168 (A): -0.859 ----- 0.076 -0.361 0.329 0.460 RESID 169 (S): -1.022 ----- -0.490 -1.482 0.401 -0.081 RESID 170 (E): -4.775 ----- 1.413 -0.463 0.745 1.000 RESID 171 (G): -1.524 ----- -1.277 -0.295 ----- 0.810 RESID 172 (F): -2.410 ----- -2.489 -0.453 1.649 -1.029 RESID 173 (L): 0.053 ----- 0.706 0.798 -1.807 0.946 RESID 174 (K): -1.838 ----- 0.552 -0.819 -0.881 0.456 RESID 175 (Q): 1.706 ----- 2.049 0.297 -3.019 -0.133 RESID 176 (P): ----- ----- 1.971 0.673 -0.809 ----- RESID 177 (V): -4.943 ----- -2.001 -3.079 0.072 -0.212 RESID 178 (G): 3.926 ----- 0.210 -2.166 ----- -0.746 RESID 179 (K): 1.831 ----- -0.590 -0.090 -1.020 -0.431 RESID 180 (D): -0.148 ----- -1.972 -1.968 -1.678 0.585 RESID 181 (Y): 5.545 ----- -1.186 0.162 -0.480 0.325 RESID 182 (K): -1.809 ----- 0.631 -2.125 2.252 0.660 RESID 183 (F): -3.193 ----- 2.652 -1.107 -4.638 0.350 RESID 184 (G): 4.726 ----- -1.576 1.977 ----- 0.287 RESID 185 (G): 2.215 ----- -1.751 -0.935 ----- -0.552 RESID 186 (P): ----- ----- -0.701 -2.516 0.798 ----- RESID 187 (S): -6.626 ----- -0.370 0.479 -2.429 0.129 RESID 188 (V): 1.499 ----- 0.286 -0.503 -2.005 1.235 RESID 189 (K): 2.762 ----- 2.628 -1.499 -0.934 -0.012 RESID 190 (D): -1.766 ----- -1.585 2.165 2.163 0.550 RESID 191 (E): 2.513 ----- -0.259 0.876 -1.101 0.387 RESID 192 (K): -1.289 ----- 0.153 -0.778 -0.458 -0.869 RESID 193 (L): 0.273 ----- 0.238 -1.050 0.248 1.231 RESID 194 (F): 3.676 ----- 2.379 -2.857 -2.494 0.744 RESID 195 (G): -1.967 ----- -0.371 -0.801 ----- -0.143 RESID 196 (V): -11.464 ----- -0.520 -3.278 -1.527 -0.269 RESID 197 (G): 2.791 ----- 0.337 -2.152 ----- 0.485 RESID 198 (T): -3.991 ----- -0.572 -0.471 -0.446 -0.055 RESID 199 (G): -4.284 ----- -0.515 -1.869 ----- 0.153 RESID 200 (M): 1.973 ----- 0.166 0.435 -2.220 -0.262 RESID 201 (G): 1.788 ----- -0.669 0.236 ----- 0.387 RESID 202 (L): -0.170 ----- 0.066 0.910 -0.018 0.104 RESID 203 (R): 1.507 ----- 2.489 1.666 -1.632 2.139 RESID 204 (K): -1.236 ----- 0.533 -0.106 -0.307 0.561 RESID 205 (E): -3.304 ----- -0.200 -0.999 -1.129 0.799 RESID 206 (D): 5.148 ----- 0.794 0.055 -1.162 -0.791 RESID 207 (N): -0.344 ----- -0.105 0.514 -0.075 -0.879 RESID 208 (E): 1.535 ----- 1.435 0.898 -1.819 0.447 RESID 209 (L): 2.451 ----- -1.109 -0.151 -1.181 0.505 RESID 210 (R): 0.349 ----- -0.813 0.230 0.085 -0.745 RESID 211 (E): -3.062 ----- 1.261 -0.116 -0.992 0.532 RESID 212 (A): 0.812 ----- 1.643 0.092 -0.964 0.492 RESID 213 (L): 1.576 ----- -1.215 -0.492 0.232 0.305 RESID 214 (N): 2.711 ----- 1.845 -0.625 -0.800 0.090 RESID 215 (K): 2.473 ----- -0.118 -0.310 -0.742 -0.374 RESID 216 (A): 0.436 ----- -0.012 -0.747 0.432 -0.305 RESID 217 (F): -0.624 ----- 0.220 1.088 -1.073 0.586 RESID 218 (A): 0.087 ----- 2.420 -0.399 -1.342 -0.208 RESID 219 (E): 0.966 ----- -0.405 -0.266 -1.163 0.110 RESID 220 (M): 2.732 ----- 0.463 -2.059 0.170 0.114 RESID 221 (R): 0.833 ----- 0.408 -0.228 -2.384 0.237 RESID 222 (A): 0.395 ----- 0.365 -0.450 -0.518 0.097 RESID 223 (D): 0.409 ----- 0.635 -0.119 -0.864 0.103 RESID 224 (G): -2.140 ----- -0.008 -1.244 ----- -0.237 RESID 225 (T): 5.246 ----- 0.375 -0.248 -1.919 0.334 RESID 226 (Y): -0.203 ----- -0.910 0.225 0.086 0.394 RESID 227 (E): -0.529 ----- -0.492 -0.543 -0.319 -0.438 RESID 228 (K): -1.301 ----- 0.437 -0.244 -0.897 -0.831 RESID 229 (L): -0.261 ----- 0.460 -0.748 -0.339 -0.008 RESID 230 (A): -0.919 ----- 1.254 -0.646 -0.175 0.578 RESID 231 (K): -0.788 ----- -0.460 -1.412 -1.028 -0.052 RESID 232 (K): 0.850 ----- -2.394 -0.755 -1.405 -0.402 RESID 233 (Y): -3.054 ----- -0.681 -3.126 0.405 -0.984 RESID 234 (F): 2.957 ----- 2.365 -1.821 -1.551 -0.150 RESID 235 (D): 2.328 ----- -0.620 -0.762 0.026 0.238 RESID 236 (F): -6.559 ----- 0.041 -2.413 0.145 -0.684 RESID 237 (D): -2.439 ----- -1.285 0.389 -2.593 0.159 RESID 238 (V): 7.353 ----- -1.524 -3.238 0.671 -1.018 RESID 239 (Y): 5.513 ----- -2.094 1.075 0.133 -0.082 RESID 240 (G): -0.415 ----- -0.202 0.504 ----- -0.559 DATA CS_STAT_INFO N RMS: 2.935 ppm Count: 226 Average Difference: -0.172 +/- 2.936 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.284 ppm Count: 236 Average Difference: -0.110 +/- 1.282 ppm DATA CS_STAT_INFO CA RMS: 1.331 ppm Count: 236 Average Difference: 0.528 +/- 1.224 ppm DATA CS_STAT_INFO CB RMS: 2.465 ppm Count: 215 Average Difference: 0.524 +/- 2.414 ppm DATA CS_STAT_INFO HN RMS: 0.581 ppm Count: 226 Average Difference: -0.126 +/- 0.568 ppm ############################################################################ For conformer 23: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.242 0.058 RESID 5 (I): C 174.300 174.300 174.353 -0.053 RESID 5 (I): CA 57.710 57.710 59.778 -2.067 RESID 5 (I): CB 37.260 37.260 37.760 -0.500 RESID 5 (I): H 7.868 7.868 8.238 -0.370 RESID 6 (P): C 176.100 176.100 176.807 -0.707 RESID 6 (P): CA 62.180 62.180 62.800 -0.620 RESID 6 (P): CB 31.620 31.620 32.347 -0.727 RESID 7 (Q): N 119.200 119.200 118.731 0.469 RESID 7 (Q): C 175.600 175.600 175.998 -0.398 RESID 7 (Q): CA 57.190 57.190 58.092 -0.902 RESID 7 (Q): CB 28.500 28.500 28.993 -0.493 RESID 7 (Q): H 8.380 8.380 8.714 -0.334 RESID 8 (N): N 116.300 116.300 114.755 1.545 RESID 8 (N): C 173.600 173.600 174.125 -0.525 RESID 8 (N): CA 51.720 51.720 52.330 -0.610 RESID 8 (N): CB 40.540 40.540 41.369 -0.829 RESID 8 (N): H 7.472 7.472 7.815 -0.343 RESID 9 (I): N 121.000 121.000 123.432 -2.432 RESID 9 (I): C 174.700 174.700 174.868 -0.168 RESID 9 (I): CA 59.480 59.480 60.198 -0.718 RESID 9 (I): CB 39.740 39.740 39.634 0.106 RESID 9 (I): H 8.416 8.416 9.141 -0.725 RESID 10 (R): N 126.500 126.500 127.783 -1.283 RESID 10 (R): C 175.800 175.800 175.049 0.751 RESID 10 (R): CA 53.950 53.950 55.730 -1.780 RESID 10 (R): CB 30.670 30.670 30.930 -0.260 RESID 10 (R): H 9.098 9.098 8.721 0.377 RESID 11 (I): N 127.500 127.500 124.208 3.292 RESID 11 (I): C 175.600 175.600 175.257 0.343 RESID 11 (I): CA 59.480 59.480 59.381 0.099 RESID 11 (I): CB 37.460 37.460 41.468 -4.008 RESID 11 (I): H 9.279 9.279 9.005 0.274 RESID 12 (G): N 114.800 114.800 114.346 0.454 RESID 12 (G): C 171.700 171.700 173.246 -1.546 RESID 12 (G): CA 44.540 44.540 44.351 0.189 RESID 12 (G): H 9.382 9.382 8.595 0.787 RESID 13 (T): N 120.600 120.600 121.954 -1.354 RESID 13 (T): C 181.600 181.600 172.999 8.601 RESID 13 (T): CA 61.470 61.470 61.775 -0.305 RESID 13 (T): CB 69.970 69.970 71.607 -1.637 RESID 13 (T): H 8.594 8.594 7.995 0.599 RESID 14 (D): N 127.000 127.000 127.760 -0.760 RESID 14 (D): C 177.500 177.500 174.665 2.835 RESID 14 (D): CA 49.760 49.760 50.349 -0.589 RESID 14 (D): CB 40.580 40.580 42.209 -1.629 RESID 14 (D): H 8.200 8.200 8.701 -0.501 RESID 15 (P): C 175.400 175.400 176.466 -1.066 RESID 15 (P): CA 61.920 61.920 63.342 -1.422 RESID 15 (P): CB 27.890 27.890 32.391 -4.501 RESID 16 (T): N 116.200 116.200 110.647 5.553 RESID 16 (T): C 174.000 174.000 173.253 0.747 RESID 16 (T): CA 59.560 59.560 62.011 -2.451 RESID 16 (T): CB 68.650 68.650 69.854 -1.204 RESID 16 (T): H 8.739 8.739 8.259 0.480 RESID 17 (Y): N 125.800 125.800 121.902 3.898 RESID 17 (Y): C 175.200 175.200 175.660 -0.460 RESID 17 (Y): CA 54.180 54.180 56.081 -1.901 RESID 17 (Y): CB 38.700 38.700 38.406 0.295 RESID 17 (Y): H 8.943 8.943 8.043 0.900 RESID 18 (A): N 132.100 132.100 129.666 2.434 RESID 18 (A): C 176.000 176.000 176.454 -0.454 RESID 18 (A): CA 51.490 51.490 56.071 -4.581 RESID 18 (A): CB 16.070 16.070 16.252 -0.182 RESID 18 (A): H 8.945 8.945 8.926 0.019 RESID 19 (P): C 173.500 173.500 177.455 -3.955 RESID 19 (P): CA 62.890 62.890 65.122 -2.232 RESID 19 (P): CB 31.790 31.790 31.604 0.186 RESID 20 (F): N 125.100 125.100 117.619 7.481 RESID 20 (F): C 176.700 176.700 174.921 1.779 RESID 20 (F): CA 62.420 62.420 59.745 2.675 RESID 20 (F): CB 37.980 37.980 41.159 -3.179 RESID 20 (F): H 8.117 8.117 8.259 -0.142 RESID 21 (E): N 111.800 111.800 114.512 -2.712 RESID 21 (E): C 173.600 173.600 174.440 -0.840 RESID 21 (E): CA 54.400 54.400 55.223 -0.823 RESID 21 (E): CB 28.770 28.770 34.142 -5.372 RESID 21 (E): H 7.701 7.701 8.492 -0.791 RESID 22 (S): N 117.200 117.200 113.135 4.065 RESID 22 (S): C 171.500 171.500 172.283 -0.783 RESID 22 (S): CA 57.290 57.290 58.559 -1.268 RESID 22 (S): CB 62.940 62.940 64.160 -1.220 RESID 22 (S): H 8.750 8.750 8.312 0.438 RESID 23 (K): N 117.400 117.400 119.250 -1.850 RESID 23 (K): C 177.600 177.600 174.988 2.612 RESID 23 (K): CA 53.700 53.700 55.376 -1.676 RESID 23 (K): CB 33.330 33.330 35.135 -1.805 RESID 23 (K): H 8.238 8.238 8.232 0.006 RESID 24 (N): N 122.400 122.400 120.791 1.609 RESID 24 (N): C 178.000 178.000 176.943 1.057 RESID 24 (N): CA 50.600 50.600 51.877 -1.278 RESID 24 (N): CB 38.140 38.140 40.020 -1.880 RESID 24 (N): H 8.584 8.584 8.509 0.075 RESID 25 (S): C 175.400 175.400 175.424 -0.024 RESID 25 (S): CA 60.970 60.970 60.967 0.003 RESID 25 (S): CB 62.410 62.410 62.605 -0.195 RESID 26 (Q): N 119.300 119.300 119.496 -0.196 RESID 26 (Q): C 176.200 176.200 176.773 -0.573 RESID 26 (Q): CA 55.180 55.180 55.589 -0.409 RESID 26 (Q): CB 28.260 28.260 28.715 -0.456 RESID 26 (Q): H 7.520 7.520 7.879 -0.359 RESID 27 (G): N 108.800 108.800 107.666 1.134 RESID 27 (G): C 173.700 173.700 174.068 -0.368 RESID 27 (G): CA 45.050 45.050 45.056 -0.006 RESID 27 (G): H 8.169 8.169 7.909 0.260 RESID 28 (E): N 121.200 121.200 120.695 0.505 RESID 28 (E): C 175.800 175.800 175.604 0.196 RESID 28 (E): CA 54.490 54.490 55.866 -1.376 RESID 28 (E): CB 29.750 29.750 30.650 -0.900 RESID 28 (E): H 7.836 7.836 8.042 -0.206 RESID 29 (L): N 123.500 123.500 121.011 2.489 RESID 29 (L): C 176.400 176.400 175.888 0.512 RESID 29 (L): CA 54.310 54.310 53.734 0.576 RESID 29 (L): CB 41.180 41.180 42.751 -1.571 RESID 29 (L): H 8.281 8.281 8.333 -0.052 RESID 30 (V): N 118.200 118.200 122.628 -4.428 RESID 30 (V): C 175.300 175.300 173.588 1.712 RESID 30 (V): CA 58.360 58.360 60.102 -1.742 RESID 30 (V): CB 36.080 36.080 35.962 0.118 RESID 30 (V): H 8.900 8.900 7.913 0.987 RESID 31 (G): N 109.800 109.800 110.528 -0.728 RESID 31 (G): C 174.400 174.400 173.533 0.867 RESID 31 (G): CA 43.830 43.830 45.225 -1.395 RESID 31 (G): H 8.611 8.611 7.501 1.110 RESID 32 (F): N 119.900 119.900 122.817 -2.917 RESID 32 (F): C 177.900 177.900 175.976 1.924 RESID 32 (F): CA 59.800 59.800 60.083 -0.283 RESID 32 (F): CB 38.950 38.950 39.261 -0.311 RESID 32 (F): H 8.295 8.295 8.231 0.064 RESID 33 (D): N 116.500 116.500 119.060 -2.560 RESID 33 (D): C 179.100 179.100 178.033 1.067 RESID 33 (D): CA 56.180 56.180 56.533 -0.353 RESID 33 (D): CB 38.610 38.610 40.212 -1.602 RESID 33 (D): H 8.935 8.935 7.193 1.742 RESID 34 (I): N 118.800 118.800 119.681 -0.881 RESID 34 (I): C 178.000 178.000 177.725 0.275 RESID 34 (I): CA 60.950 60.950 64.761 -3.811 RESID 34 (I): CB 33.620 33.620 37.807 -4.187 RESID 34 (I): H 6.535 6.535 7.728 -1.193 RESID 35 (D): N 121.000 121.000 120.346 0.654 RESID 35 (D): C 180.300 180.300 178.686 1.614 RESID 35 (D): CA 57.100 57.100 57.405 -0.305 RESID 35 (D): CB 40.420 40.420 40.313 0.107 RESID 35 (D): H 8.536 8.536 7.794 0.742 RESID 36 (L): N 120.500 120.500 120.942 -0.442 RESID 36 (L): C 178.500 178.500 177.989 0.511 RESID 36 (L): CA 57.720 57.720 57.798 -0.078 RESID 36 (L): CB 42.230 42.230 41.568 0.662 RESID 36 (L): H 8.508 8.508 7.216 1.292 RESID 37 (A): N 120.200 120.200 121.841 -1.641 RESID 37 (A): C 178.600 178.600 179.516 -0.916 RESID 37 (A): CA 55.170 55.170 55.332 -0.162 RESID 37 (A): CB 17.340 17.340 18.414 -1.074 RESID 37 (A): H 8.383 8.383 7.638 0.745 RESID 38 (K): N 116.400 116.400 119.285 -2.885 RESID 38 (K): C 180.100 180.100 179.164 0.936 RESID 38 (K): CA 60.530 60.530 60.009 0.521 RESID 38 (K): CB 31.840 31.840 32.341 -0.501 RESID 38 (K): H 8.780 8.780 8.110 0.670 RESID 39 (E): N 121.500 121.500 119.332 2.168 RESID 39 (E): C 178.300 178.300 179.392 -1.092 RESID 39 (E): CA 58.430 58.430 59.331 -0.902 RESID 39 (E): CB 27.990 27.990 29.516 -1.526 RESID 39 (E): H 7.692 7.692 7.796 -0.104 RESID 40 (L): N 121.500 121.500 120.377 1.123 RESID 40 (L): C 178.700 178.700 178.838 -0.138 RESID 40 (L): CA 58.490 58.490 58.263 0.227 RESID 40 (L): CB 40.250 40.250 41.750 -1.500 RESID 40 (L): H 8.563 8.563 7.937 0.626 RESID 41 (C): N 115.700 115.700 118.545 -2.845 RESID 41 (C): C 175.800 175.800 177.479 -1.679 RESID 41 (C): CA 62.390 62.390 62.788 -0.398 RESID 41 (C): CB 46.860 46.860 25.453 21.407 RESID 41 (C): H 8.598 8.598 8.756 -0.158 RESID 42 (K): N 119.300 119.300 119.575 -0.275 RESID 42 (K): C 180.800 180.800 179.176 1.624 RESID 42 (K): CA 58.810 58.810 59.462 -0.652 RESID 42 (K): CB 31.430 31.430 32.355 -0.925 RESID 42 (K): H 7.490 7.490 8.079 -0.589 RESID 43 (R): N 119.500 119.500 118.103 1.397 RESID 43 (R): C 178.700 178.700 178.676 0.024 RESID 43 (R): CA 58.760 58.760 58.469 0.291 RESID 43 (R): CB 29.980 29.980 30.200 -0.220 RESID 43 (R): H 8.057 8.057 7.549 0.508 RESID 44 (I): N 111.800 111.800 117.537 -5.737 RESID 44 (I): C 175.000 175.000 175.821 -0.821 RESID 44 (I): CA 60.940 60.940 63.108 -2.168 RESID 44 (I): CB 36.630 36.630 38.169 -1.539 RESID 44 (I): H 7.765 7.765 8.469 -0.704 RESID 45 (N): N 118.800 118.800 115.722 3.078 RESID 45 (N): C 173.600 173.600 173.943 -0.343 RESID 45 (N): CA 53.670 53.670 54.619 -0.949 RESID 45 (N): CB 36.620 36.620 35.910 0.710 RESID 45 (N): H 7.752 7.752 8.029 -0.277 RESID 46 (T): N 112.800 112.800 105.661 7.139 RESID 46 (T): C 173.100 173.100 172.788 0.312 RESID 46 (T): CA 60.020 60.020 60.337 -0.317 RESID 46 (T): CB 70.500 70.500 71.798 -1.298 RESID 46 (T): H 7.920 7.920 7.953 -0.033 RESID 47 (Q): N 123.500 123.500 119.910 3.590 RESID 47 (Q): C 175.400 175.400 174.578 0.822 RESID 47 (Q): CA 54.550 54.550 55.051 -0.501 RESID 47 (Q): CB 28.670 28.670 30.615 -1.945 RESID 47 (Q): H 8.037 8.037 8.291 -0.254 RESID 48 (C): N 123.800 123.800 124.147 -0.347 RESID 48 (C): C 173.800 173.800 174.459 -0.659 RESID 48 (C): CA 53.170 53.170 57.809 -4.639 RESID 48 (C): CB 47.290 47.290 29.457 17.833 RESID 48 (C): H 8.881 8.881 8.672 0.209 RESID 49 (T): N 118.600 118.600 120.640 -2.040 RESID 49 (T): C 172.700 172.700 172.554 0.146 RESID 49 (T): CA 60.210 60.210 61.245 -1.035 RESID 49 (T): CB 70.980 70.980 71.021 -0.041 RESID 49 (T): H 8.324 8.324 8.845 -0.521 RESID 50 (F): N 123.800 123.800 126.022 -2.222 RESID 50 (F): C 175.800 175.800 175.922 -0.122 RESID 50 (F): CA 57.370 57.370 57.414 -0.044 RESID 50 (F): CB 40.730 40.730 40.230 0.500 RESID 50 (F): H 8.982 8.982 8.641 0.341 RESID 51 (V): N 126.300 126.300 123.871 2.429 RESID 51 (V): C 174.700 174.700 174.740 -0.040 RESID 51 (V): CA 60.650 60.650 60.678 -0.028 RESID 51 (V): CB 33.700 33.700 35.326 -1.626 RESID 51 (V): H 9.271 9.271 9.059 0.212 RESID 52 (E): N 126.900 126.900 129.064 -2.164 RESID 52 (E): C 176.900 176.900 175.248 1.652 RESID 52 (E): CA 54.480 54.480 57.270 -2.790 RESID 52 (E): CB 29.350 29.350 30.376 -1.026 RESID 52 (E): H 8.617 8.617 8.771 -0.154 RESID 53 (N): N 127.100 127.100 120.793 6.307 RESID 53 (N): C 170.600 170.600 172.406 -1.806 RESID 53 (N): CA 51.220 51.220 51.425 -0.205 RESID 53 (N): CB 43.980 43.980 38.358 5.622 RESID 53 (N): H 8.917 8.917 8.233 0.684 RESID 54 (P): C 178.600 178.600 178.806 -0.206 RESID 54 (P): CA 61.650 61.650 62.357 -0.707 RESID 54 (P): CB 31.460 31.460 32.894 -1.434 RESID 55 (L): N 124.200 124.200 124.170 0.030 RESID 55 (L): C 179.600 179.600 178.719 0.881 RESID 55 (L): CA 58.130 58.130 59.237 -1.107 RESID 55 (L): CB 41.470 41.470 41.365 0.105 RESID 55 (L): H 9.096 9.096 8.803 0.293 RESID 56 (D): N 115.400 115.400 119.021 -3.621 RESID 56 (D): C 176.500 176.500 177.334 -0.834 RESID 56 (D): CA 56.080 56.080 56.858 -0.778 RESID 56 (D): CB 39.640 39.640 40.180 -0.540 RESID 56 (D): H 8.651 8.651 8.527 0.124 RESID 57 (A): N 120.400 120.400 119.942 0.458 RESID 57 (A): C 180.000 180.000 178.967 1.033 RESID 57 (A): CA 51.440 51.440 53.626 -2.186 RESID 57 (A): CB 19.170 19.170 19.634 -0.464 RESID 57 (A): H 8.079 8.079 8.341 -0.262 RESID 58 (L): N 122.300 122.300 121.181 1.119 RESID 58 (L): C 177.800 177.800 178.758 -0.958 RESID 58 (L): CA 58.960 58.960 58.104 0.856 RESID 58 (L): CB 40.150 40.150 41.907 -1.756 RESID 58 (L): H 7.783 7.783 8.092 -0.309 RESID 59 (I): N 119.600 119.600 119.490 0.110 RESID 59 (I): C 176.400 176.400 175.152 1.248 RESID 59 (I): CA 68.170 68.170 66.528 1.642 RESID 59 (I): CB 33.980 33.980 34.690 -0.710 RESID 59 (I): H 9.094 9.094 7.714 1.380 RESID 60 (P): C 180.100 180.100 179.225 0.875 RESID 60 (P): CA 65.890 65.890 66.475 -0.585 RESID 60 (P): CB 29.980 29.980 31.264 -1.284 RESID 61 (S): N 114.800 114.800 114.939 -0.139 RESID 61 (S): C 175.500 175.500 176.712 -1.212 RESID 61 (S): CA 62.170 62.170 61.767 0.403 RESID 61 (S): H 7.865 7.865 8.222 -0.357 RESID 62 (L): N 126.200 126.200 123.015 3.185 RESID 62 (L): C 181.000 181.000 179.060 1.940 RESID 62 (L): CA 57.400 57.400 57.759 -0.359 RESID 62 (L): CB 41.820 41.820 41.818 0.002 RESID 62 (L): H 8.296 8.296 8.119 0.177 RESID 63 (K): N 121.000 121.000 119.132 1.868 RESID 63 (K): C 178.000 178.000 178.245 -0.245 RESID 63 (K): CA 59.500 59.500 59.260 0.240 RESID 63 (K): CB 30.770 30.770 32.464 -1.694 RESID 63 (K): H 8.461 8.461 7.705 0.756 RESID 64 (A): N 118.700 118.700 118.512 0.188 RESID 64 (A): C 176.200 176.200 176.654 -0.454 RESID 64 (A): CA 51.680 51.680 51.914 -0.234 RESID 64 (A): CB 18.140 18.140 18.449 -0.309 RESID 64 (A): H 7.686 7.686 7.981 -0.295 RESID 65 (K): N 112.200 112.200 114.008 -1.808 RESID 65 (K): C 176.000 176.000 176.450 -0.450 RESID 65 (K): CA 57.800 57.800 57.964 -0.164 RESID 65 (K): CB 27.730 27.730 29.885 -2.155 RESID 65 (K): H 7.751 7.751 7.691 0.060 RESID 66 (K): N 118.300 118.300 115.420 2.880 RESID 66 (K): C 176.600 176.600 177.151 -0.551 RESID 66 (K): CA 57.200 57.200 58.469 -1.269 RESID 66 (K): CB 32.170 32.170 33.014 -0.844 RESID 66 (K): H 8.415 8.415 7.823 0.592 RESID 67 (I): N 107.500 107.500 112.662 -5.162 RESID 67 (I): C 174.000 174.000 175.413 -1.413 RESID 67 (I): CA 59.050 59.050 59.069 -0.019 RESID 67 (I): CB 40.470 40.470 41.002 -0.532 RESID 67 (I): H 7.034 7.034 7.258 -0.224 RESID 68 (D): N 119.000 119.000 122.471 -3.471 RESID 68 (D): C 172.200 172.200 175.947 -3.747 RESID 68 (D): CA 55.560 55.560 55.309 0.251 RESID 68 (D): CB 44.210 44.210 42.503 1.707 RESID 68 (D): H 9.739 9.739 8.484 1.255 RESID 69 (A): N 117.400 117.400 118.301 -0.901 RESID 69 (A): C 175.900 175.900 174.815 1.085 RESID 69 (A): CA 50.120 50.120 51.157 -1.037 RESID 69 (A): CB 21.960 21.960 22.163 -0.203 RESID 69 (A): H 7.660 7.660 7.775 -0.115 RESID 70 (I): N 120.500 120.500 120.908 -0.408 RESID 70 (I): C 174.500 174.500 174.523 -0.023 RESID 70 (I): CA 60.060 60.060 60.624 -0.564 RESID 70 (I): CB 41.190 41.190 40.897 0.293 RESID 70 (I): H 9.402 9.402 8.120 1.282 RESID 71 (M): N 128.300 128.300 129.316 -1.016 RESID 71 (M): C 172.500 172.500 173.725 -1.225 RESID 71 (M): CA 53.040 53.040 55.050 -2.010 RESID 71 (M): CB 33.940 33.940 34.219 -0.279 RESID 71 (M): H 8.431 8.431 8.222 0.209 RESID 72 (S): N 122.700 122.700 120.195 2.505 RESID 72 (S): C 172.800 172.800 174.729 -1.929 RESID 72 (S): CA 57.630 57.630 56.541 1.089 RESID 72 (S): CB 64.590 64.590 65.131 -0.541 RESID 72 (S): H 8.717 8.717 8.568 0.149 RESID 73 (S): N 120.600 120.600 115.510 5.090 RESID 73 (S): C 174.900 174.900 174.865 0.035 RESID 73 (S): CA 58.590 58.590 59.660 -1.070 RESID 73 (S): CB 62.920 62.920 62.818 0.102 RESID 73 (S): H 8.570 8.570 8.657 -0.087 RESID 74 (L): N 120.700 120.700 124.894 -4.194 RESID 74 (L): C 175.300 175.300 175.971 -0.671 RESID 74 (L): CA 54.320 54.320 55.751 -1.431 RESID 74 (L): CB 42.350 42.350 42.821 -0.471 RESID 74 (L): H 8.678 8.678 7.336 1.342 RESID 75 (S): N 122.000 122.000 120.111 1.889 RESID 75 (S): C 174.500 174.500 173.641 0.859 RESID 75 (S): CA 59.250 59.250 57.397 1.853 RESID 75 (S): CB 63.060 63.060 64.717 -1.657 RESID 75 (S): H 8.142 8.142 7.930 0.212 RESID 76 (I): N 125.200 125.200 116.051 9.149 RESID 76 (I): C 175.500 175.500 174.424 1.076 RESID 76 (I): CA 61.340 61.340 59.720 1.620 RESID 76 (I): CB 35.790 35.790 39.578 -3.788 RESID 76 (I): H 8.307 8.307 8.282 0.025 RESID 77 (T): N 116.600 116.600 113.553 3.047 RESID 77 (T): C 174.800 174.800 175.089 -0.289 RESID 77 (T): CA 57.760 57.760 59.952 -2.192 RESID 77 (T): CB 71.570 71.570 72.309 -0.740 RESID 77 (T): H 6.513 6.513 7.527 -1.014 RESID 78 (E): N 124.500 124.500 124.953 -0.453 RESID 78 (E): C 179.500 179.500 177.880 1.620 RESID 78 (E): CA 59.140 59.140 60.880 -1.740 RESID 78 (E): CB 28.630 28.630 29.261 -0.631 RESID 78 (E): H 8.935 8.935 8.920 0.015 RESID 79 (K): N 118.400 118.400 118.364 0.036 RESID 79 (K): C 180.600 180.600 179.063 1.537 RESID 79 (K): CA 58.890 58.890 59.198 -0.308 RESID 79 (K): CB 31.610 31.610 32.298 -0.688 RESID 79 (K): H 8.415 8.415 8.364 0.051 RESID 80 (R): N 118.500 118.500 118.833 -0.333 RESID 80 (R): C 179.100 179.100 178.959 0.141 RESID 80 (R): CA 59.580 59.580 59.229 0.351 RESID 80 (R): CB 30.380 30.380 30.093 0.287 RESID 80 (R): H 7.678 7.678 7.408 0.270 RESID 81 (Q): N 119.000 119.000 119.576 -0.576 RESID 81 (Q): C 176.600 176.600 178.732 -2.132 RESID 81 (Q): CA 57.510 57.510 58.888 -1.378 RESID 81 (Q): CB 28.880 28.880 28.565 0.315 RESID 81 (Q): H 8.418 8.418 8.247 0.171 RESID 82 (Q): N 115.300 115.300 117.328 -2.028 RESID 82 (Q): C 177.400 177.400 177.777 -0.377 RESID 82 (Q): CA 57.280 57.280 58.252 -0.972 RESID 82 (Q): CB 27.950 27.950 28.586 -0.636 RESID 82 (Q): H 7.297 7.297 7.911 -0.614 RESID 83 (E): N 115.600 115.600 117.690 -2.090 RESID 83 (E): C 176.400 176.400 177.305 -0.905 RESID 83 (E): CA 56.950 56.950 58.336 -1.386 RESID 83 (E): CB 33.090 33.090 31.207 1.883 RESID 83 (E): H 7.627 7.627 7.927 -0.300 RESID 84 (I): N 115.100 115.100 111.859 3.241 RESID 84 (I): C 172.600 172.600 173.923 -1.323 RESID 84 (I): CA 59.380 59.380 58.923 0.457 RESID 84 (I): CB 40.830 40.830 41.503 -0.673 RESID 84 (I): H 8.275 8.275 8.001 0.274 RESID 85 (A): N 120.600 120.600 120.379 0.221 RESID 85 (A): C 175.000 175.000 175.210 -0.210 RESID 85 (A): CA 49.150 49.150 50.233 -1.083 RESID 85 (A): CB 22.280 22.280 21.514 0.766 RESID 85 (A): H 8.679 8.679 8.465 0.214 RESID 86 (F): N 115.500 115.500 118.896 -3.396 RESID 86 (F): C 178.800 178.800 175.865 2.935 RESID 86 (F): CA 55.850 55.850 56.771 -0.921 RESID 86 (F): CB 44.300 44.300 44.036 0.264 RESID 86 (F): H 8.283 8.283 8.609 -0.326 RESID 87 (T): N 108.200 108.200 114.786 -6.586 RESID 87 (T): C 174.700 174.700 173.813 0.887 RESID 87 (T): CA 61.930 61.930 61.030 0.900 RESID 87 (T): CB 72.740 72.740 70.131 2.609 RESID 87 (T): H 7.898 7.898 8.319 -0.421 RESID 88 (D): N 118.400 118.400 120.605 -2.205 RESID 88 (D): C 174.300 174.300 175.734 -1.434 RESID 88 (D): CA 55.030 55.030 55.844 -0.814 RESID 88 (D): CB 40.870 40.870 39.850 1.020 RESID 88 (D): H 8.789 8.789 8.832 -0.043 RESID 89 (K): N 118.100 118.100 116.732 1.368 RESID 89 (K): C 176.200 176.200 176.851 -0.651 RESID 89 (K): CA 55.570 55.570 57.247 -1.677 RESID 89 (K): CB 31.850 31.850 31.520 0.330 RESID 89 (K): H 7.666 7.666 7.726 -0.060 RESID 90 (L): N 123.400 123.400 125.940 -2.540 RESID 90 (L): C 178.000 178.000 177.844 0.156 RESID 90 (L): CA 54.450 54.450 57.142 -2.692 RESID 90 (L): CB 41.710 41.710 43.048 -1.338 RESID 90 (L): H 8.778 8.778 8.594 0.184 RESID 91 (Y): N 110.500 110.500 110.030 0.470 RESID 91 (Y): C 172.600 172.600 173.636 -1.036 RESID 91 (Y): CA 56.070 56.070 55.706 0.364 RESID 91 (Y): CB 37.670 37.670 40.545 -2.875 RESID 91 (Y): H 6.810 6.810 7.252 -0.442 RESID 92 (A): N 123.100 123.100 122.414 0.686 RESID 92 (A): C 175.600 175.600 176.689 -1.089 RESID 92 (A): CA 51.940 51.940 51.020 0.920 RESID 92 (A): CB 20.320 20.320 19.587 0.733 RESID 92 (A): H 8.135 8.135 9.074 -0.939 RESID 93 (A): N 127.000 127.000 127.761 -0.761 RESID 93 (A): C 175.700 175.700 176.623 -0.923 RESID 93 (A): CA 51.020 51.020 50.601 0.419 RESID 93 (A): CB 18.310 18.310 18.340 -0.030 RESID 93 (A): H 8.658 8.658 8.248 0.410 RESID 94 (D): N 122.900 122.900 121.551 1.349 RESID 94 (D): C 175.300 175.300 176.127 -0.827 RESID 94 (D): CA 53.910 53.910 55.162 -1.252 RESID 94 (D): CB 42.030 42.030 42.244 -0.214 RESID 94 (D): H 8.497 8.497 7.744 0.753 RESID 95 (S): N 110.300 110.300 112.176 -1.876 RESID 95 (S): C 171.600 171.600 173.077 -1.477 RESID 95 (S): CA 57.850 57.850 57.386 0.464 RESID 95 (S): CB 66.410 66.410 66.523 -0.113 RESID 95 (S): H 6.844 6.844 7.880 -1.036 RESID 96 (R): N 124.300 124.300 119.775 4.525 RESID 96 (R): C 173.700 173.700 173.857 -0.157 RESID 96 (R): CA 57.450 57.450 55.888 1.562 RESID 96 (R): CB 34.070 34.070 34.371 -0.301 RESID 96 (R): H 9.227 9.227 8.856 0.371 RESID 97 (L): N 124.100 124.100 125.069 -0.969 RESID 97 (L): C 177.600 177.600 175.921 1.679 RESID 97 (L): CA 54.150 54.150 53.850 0.300 RESID 97 (L): CB 42.640 42.640 44.390 -1.750 RESID 97 (L): H 9.343 9.343 8.076 1.267 RESID 98 (V): N 124.500 124.500 123.713 0.787 RESID 98 (V): C 175.700 175.700 175.005 0.695 RESID 98 (V): CA 61.770 61.770 60.887 0.883 RESID 98 (V): CB 32.950 32.950 32.560 0.390 RESID 98 (V): H 9.500 9.500 8.034 1.466 RESID 99 (V): N 116.800 116.800 122.207 -5.407 RESID 99 (V): C 174.600 174.600 173.899 0.701 RESID 99 (V): CA 58.190 58.190 58.466 -0.276 RESID 99 (V): CB 36.780 36.780 35.572 1.208 RESID 99 (V): H 9.192 9.192 8.208 0.984 RESID 100 (A): N 123.400 123.400 123.152 0.248 RESID 100 (A): C 179.200 179.200 178.345 0.855 RESID 100 (A): CA 52.690 52.690 50.754 1.936 RESID 100 (A): CB 18.160 18.160 19.973 -1.813 RESID 100 (A): H 9.043 9.043 8.295 0.748 RESID 101 (K): N 119.600 119.600 123.876 -4.276 RESID 101 (K): C 176.800 176.800 177.163 -0.363 RESID 101 (K): CA 59.360 59.360 58.905 0.455 RESID 101 (K): CB 31.380 31.380 32.000 -0.620 RESID 101 (K): H 7.840 7.840 8.906 -1.066 RESID 102 (N): N 114.400 114.400 115.544 -1.144 RESID 102 (N): C 175.500 175.500 175.240 0.260 RESID 102 (N): CA 52.330 52.330 54.640 -2.310 RESID 102 (N): CB 36.990 36.990 38.608 -1.618 RESID 102 (N): H 7.941 7.941 8.196 -0.255 RESID 103 (S): N 114.800 114.800 114.677 0.123 RESID 103 (S): C 176.000 176.000 173.283 2.717 RESID 103 (S): CA 58.180 58.180 57.487 0.693 RESID 103 (S): CB 64.310 64.310 63.896 0.414 RESID 103 (S): H 7.700 7.700 7.590 0.110 RESID 104 (D): N 128.500 128.500 129.287 -0.787 RESID 104 (D): C 176.700 176.700 175.177 1.523 RESID 104 (D): CA 52.990 52.990 53.995 -1.005 RESID 104 (D): CB 40.330 40.330 40.907 -0.577 RESID 104 (D): H 8.548 8.548 8.543 0.005 RESID 105 (I): N 122.800 122.800 124.855 -2.055 RESID 105 (I): C 173.800 173.800 174.643 -0.843 RESID 105 (I): CA 63.580 63.580 60.557 3.023 RESID 105 (I): CB 37.490 37.490 40.474 -2.985 RESID 105 (I): H 7.826 7.826 8.201 -0.375 RESID 106 (Q): N 124.600 124.600 125.122 -0.522 RESID 106 (Q): C 174.700 174.700 173.875 0.825 RESID 106 (Q): CA 51.380 51.380 52.091 -0.711 RESID 106 (Q): CB 31.050 31.050 29.736 1.314 RESID 106 (Q): H 8.174 8.174 8.498 -0.324 RESID 107 (P): C 175.300 175.300 175.796 -0.496 RESID 107 (P): CA 61.880 61.880 63.645 -1.765 RESID 107 (P): CB 26.860 26.860 30.984 -4.124 RESID 108 (T): N 114.600 114.600 117.684 -3.084 RESID 108 (T): C 174.000 174.000 174.389 -0.389 RESID 108 (T): CA 57.690 57.690 61.630 -3.940 RESID 108 (T): CB 71.020 71.020 71.994 -0.974 RESID 108 (T): H 8.531 8.531 7.694 0.837 RESID 109 (V): N 121.800 121.800 123.298 -1.498 RESID 109 (V): C 177.300 177.300 176.936 0.364 RESID 109 (V): CA 65.600 65.600 64.748 0.853 RESID 109 (V): CB 30.580 30.580 32.768 -2.188 RESID 109 (V): H 8.775 8.775 8.485 0.290 RESID 110 (E): N 116.900 116.900 120.823 -3.923 RESID 110 (E): C 178.400 178.400 178.678 -0.278 RESID 110 (E): CA 59.260 59.260 60.132 -0.872 RESID 110 (E): CB 28.170 28.170 29.048 -0.878 RESID 110 (E): H 8.414 8.414 8.387 0.027 RESID 111 (S): N 113.200 113.200 113.432 -0.232 RESID 111 (S): C 176.500 176.500 175.923 0.577 RESID 111 (S): CA 59.370 59.370 60.989 -1.619 RESID 111 (S): CB 63.730 63.730 62.521 1.209 RESID 111 (S): H 7.387 7.387 8.444 -1.056 RESID 112 (L): N 116.100 116.100 120.409 -4.309 RESID 112 (L): C 176.700 176.700 176.699 0.001 RESID 112 (L): CA 54.580 54.580 55.377 -0.797 RESID 112 (L): CB 42.650 42.650 42.562 0.088 RESID 112 (L): H 7.676 7.676 7.329 0.347 RESID 113 (K): N 121.000 121.000 119.189 1.811 RESID 113 (K): C 178.200 178.200 177.506 0.694 RESID 113 (K): CA 58.850 58.850 58.238 0.612 RESID 113 (K): CB 30.850 30.850 32.264 -1.414 RESID 113 (K): H 7.445 7.445 7.748 -0.303 RESID 114 (G): N 113.900 113.900 112.927 0.973 RESID 114 (G): C 174.200 174.200 174.796 -0.596 RESID 114 (G): CA 45.240 45.240 45.354 -0.114 RESID 114 (G): H 8.454 8.454 8.356 0.098 RESID 115 (K): N 120.600 120.600 121.743 -1.143 RESID 115 (K): C 174.800 174.800 176.126 -1.326 RESID 115 (K): CA 53.710 53.710 54.763 -1.053 RESID 115 (K): CB 31.990 31.990 33.265 -1.275 RESID 115 (K): H 8.530 8.530 7.864 0.666 RESID 116 (R): N 119.300 119.300 120.695 -1.395 RESID 116 (R): C 176.000 176.000 175.426 0.574 RESID 116 (R): CA 54.720 54.720 55.894 -1.174 RESID 116 (R): CB 32.310 32.310 31.648 0.663 RESID 116 (R): H 9.455 9.455 8.450 1.005 RESID 117 (V): N 126.100 126.100 123.118 2.982 RESID 117 (V): C 175.300 175.300 175.005 0.295 RESID 117 (V): CA 60.090 60.090 60.384 -0.294 RESID 117 (V): CB 33.620 33.620 35.459 -1.839 RESID 117 (V): H 9.217 9.217 8.555 0.662 RESID 118 (G): N 114.000 114.000 113.434 0.566 RESID 118 (G): C 172.300 172.300 172.633 -0.333 RESID 118 (G): CA 45.010 45.010 43.610 1.400 RESID 118 (G): H 9.367 9.367 8.012 1.355 RESID 119 (V): N 116.400 116.400 122.387 -5.987 RESID 119 (V): C 174.100 174.100 174.033 0.067 RESID 119 (V): CA 58.270 58.270 60.446 -2.176 RESID 119 (V): CB 36.370 36.370 36.986 -0.617 RESID 119 (V): H 9.166 9.166 9.305 -0.139 RESID 120 (L): N 124.400 124.400 124.141 0.259 RESID 120 (L): C 176.900 176.900 175.659 1.241 RESID 120 (L): CA 53.690 53.690 53.965 -0.275 RESID 120 (L): CB 41.240 41.240 42.670 -1.430 RESID 120 (L): H 8.961 8.961 8.824 0.137 RESID 121 (Q): N 128.000 128.000 127.164 0.836 RESID 121 (Q): C 176.900 176.900 177.239 -0.339 RESID 121 (Q): CA 56.680 56.680 57.094 -0.414 RESID 121 (Q): CB 27.920 27.920 29.534 -1.614 RESID 121 (Q): H 9.305 9.305 9.003 0.302 RESID 122 (G): N 113.600 113.600 113.548 0.052 RESID 122 (G): C 175.100 175.100 173.560 1.540 RESID 122 (G): CA 45.240 45.240 45.476 -0.236 RESID 122 (G): H 9.383 9.383 8.731 0.652 RESID 123 (T): N 108.400 108.400 110.127 -1.727 RESID 123 (T): C 176.800 176.800 174.426 2.374 RESID 123 (T): CA 60.260 60.260 60.008 0.252 RESID 123 (T): CB 73.530 73.530 70.643 2.887 RESID 123 (T): H 7.220 7.220 7.738 -0.518 RESID 124 (T): N 113.900 113.900 112.562 1.338 RESID 124 (T): C 178.100 178.100 176.521 1.579 RESID 124 (T): CA 63.990 63.990 64.708 -0.718 RESID 124 (T): CB 67.740 67.740 68.711 -0.971 RESID 124 (T): H 8.934 8.934 8.658 0.276 RESID 125 (Q): N 120.600 120.600 122.394 -1.794 RESID 125 (Q): C 178.300 178.300 178.096 0.204 RESID 125 (Q): CA 61.670 61.670 59.749 1.921 RESID 125 (Q): CB 25.310 25.310 28.047 -2.737 RESID 125 (Q): H 7.521 7.521 8.272 -0.751 RESID 126 (E): N 121.900 121.900 119.781 2.119 RESID 126 (E): C 177.600 177.600 178.894 -1.294 RESID 126 (E): CA 59.630 59.630 59.842 -0.212 RESID 126 (E): CB 28.730 28.730 29.638 -0.908 RESID 126 (E): H 7.717 7.717 7.810 -0.093 RESID 127 (T): N 117.800 117.800 116.211 1.589 RESID 127 (T): C 176.200 176.200 176.384 -0.184 RESID 127 (T): CA 66.340 66.340 66.834 -0.494 RESID 127 (T): CB 67.590 67.590 68.727 -1.137 RESID 127 (T): H 8.175 8.175 7.618 0.557 RESID 128 (F): N 121.900 121.900 121.986 -0.086 RESID 128 (F): C 178.000 178.000 177.530 0.470 RESID 128 (F): CA 61.590 61.590 60.710 0.880 RESID 128 (F): CB 38.810 38.810 38.917 -0.107 RESID 128 (F): H 8.882 8.882 8.609 0.273 RESID 129 (G): N 107.000 107.000 107.136 -0.136 RESID 129 (G): C 176.100 176.100 176.497 -0.397 RESID 129 (G): CA 46.690 46.690 47.213 -0.523 RESID 129 (G): H 8.900 8.900 9.169 -0.269 RESID 130 (N): N 123.000 123.000 118.460 4.540 RESID 130 (N): C 176.200 176.200 175.839 0.361 RESID 130 (N): CA 55.400 55.400 55.350 0.050 RESID 130 (N): CB 37.570 37.570 38.198 -0.628 RESID 130 (N): H 8.915 8.915 8.571 0.344 RESID 131 (E): N 119.000 119.000 116.707 2.293 RESID 131 (E): C 177.900 177.900 177.099 0.801 RESID 131 (E): CA 57.940 57.940 56.702 1.238 RESID 131 (E): CB 29.350 29.350 30.770 -1.420 RESID 131 (E): H 7.907 7.907 7.489 0.418 RESID 132 (H): N 112.600 112.600 118.635 -6.035 RESID 132 (H): C 175.900 175.900 175.546 0.354 RESID 132 (H): CA 56.910 56.910 58.791 -1.881 RESID 132 (H): CB 30.510 30.510 29.789 0.721 RESID 132 (H): H 7.877 7.877 7.895 -0.018 RESID 133 (W): N 119.300 119.300 117.451 1.849 RESID 133 (W): C 176.800 176.800 176.207 0.593 RESID 133 (W): CA 55.570 55.570 56.552 -0.982 RESID 133 (W): CB 30.400 30.400 29.742 0.658 RESID 133 (W): H 7.653 7.653 7.497 0.156 RESID 134 (A): N 125.400 125.400 124.643 0.757 RESID 134 (A): C 177.700 177.700 177.225 0.475 RESID 134 (A): CA 55.410 55.410 54.662 0.748 RESID 134 (A): CB 15.990 15.990 16.790 -0.800 RESID 134 (A): H 8.711 8.711 7.532 1.179 RESID 135 (P): C 177.200 177.200 177.252 -0.052 RESID 135 (P): CA 64.510 64.510 64.572 -0.062 RESID 135 (P): CB 30.800 30.800 30.982 -0.182 RESID 136 (K): N 115.800 115.800 116.441 -0.641 RESID 136 (K): C 176.500 176.500 177.543 -1.043 RESID 136 (K): CA 53.530 53.530 55.897 -2.367 RESID 136 (K): CB 31.430 31.430 31.902 -0.472 RESID 136 (K): H 7.665 7.665 8.108 -0.443 RESID 137 (G): N 106.100 106.100 108.333 -2.233 RESID 137 (G): C 174.300 174.300 173.529 0.771 RESID 137 (G): CA 45.740 45.740 45.371 0.369 RESID 137 (G): H 7.864 7.864 7.665 0.199 RESID 138 (I): N 124.400 124.400 119.377 5.023 RESID 138 (I): C 174.400 174.400 174.791 -0.391 RESID 138 (I): CA 60.460 60.460 60.119 0.341 RESID 138 (I): CB 38.080 38.080 39.811 -1.731 RESID 138 (I): H 6.889 6.889 7.480 -0.591 RESID 139 (E): N 128.400 128.400 127.281 1.119 RESID 139 (E): C 173.900 173.900 175.101 -1.201 RESID 139 (E): CA 56.050 56.050 55.622 0.428 RESID 139 (E): CB 29.490 29.490 31.212 -1.722 RESID 139 (E): H 8.230 8.230 8.343 -0.113 RESID 140 (I): N 129.500 129.500 121.632 7.868 RESID 140 (I): C 176.100 176.100 174.757 1.343 RESID 140 (I): CA 57.100 57.100 59.037 -1.937 RESID 140 (I): CB 34.440 34.440 40.607 -6.167 RESID 140 (I): H 8.642 8.642 8.352 0.290 RESID 141 (V): N 133.000 133.000 125.205 7.795 RESID 141 (V): C 174.400 174.400 174.515 -0.115 RESID 141 (V): CA 61.060 61.060 61.149 -0.089 RESID 141 (V): CB 32.410 32.410 36.202 -3.792 RESID 141 (V): H 9.387 9.387 8.943 0.444 RESID 142 (S): N 122.900 122.900 120.102 2.798 RESID 142 (S): C 175.000 175.000 173.524 1.476 RESID 142 (S): CA 57.710 57.710 57.393 0.317 RESID 142 (S): CB 63.710 63.710 63.721 -0.011 RESID 142 (S): H 8.490 8.490 8.396 0.094 RESID 143 (Y): N 123.400 123.400 126.121 -2.721 RESID 143 (Y): C 175.900 175.900 176.380 -0.480 RESID 143 (Y): CA 57.300 57.300 57.725 -0.425 RESID 143 (Y): CB 42.300 42.300 41.324 0.976 RESID 143 (Y): H 8.979 8.979 9.272 -0.293 RESID 144 (Q): N 119.500 119.500 120.127 -0.627 RESID 144 (Q): C 176.000 176.000 174.900 1.100 RESID 144 (Q): CA 56.490 56.490 55.904 0.586 RESID 144 (Q): CB 28.470 28.470 29.850 -1.380 RESID 144 (Q): H 8.974 8.974 8.743 0.231 RESID 145 (G): N 106.800 106.800 107.332 -0.532 RESID 145 (G): C 173.500 173.500 174.156 -0.656 RESID 145 (G): CA 44.300 44.300 44.327 -0.027 RESID 145 (G): H 7.531 7.531 7.861 -0.330 RESID 146 (Q): N 124.300 124.300 122.882 1.418 RESID 146 (Q): C 177.200 177.200 177.345 -0.145 RESID 146 (Q): CA 57.800 57.800 58.807 -1.007 RESID 146 (Q): CB 28.190 28.190 28.635 -0.445 RESID 146 (Q): H 8.949 8.949 8.862 0.087 RESID 147 (D): N 117.900 117.900 118.425 -0.525 RESID 147 (D): C 178.900 178.900 178.472 0.428 RESID 147 (D): CA 56.650 56.650 56.846 -0.196 RESID 147 (D): CB 38.890 38.890 39.744 -0.854 RESID 147 (D): H 8.746 8.746 8.783 -0.037 RESID 148 (N): N 117.500 117.500 117.921 -0.421 RESID 148 (N): C 176.700 176.700 177.267 -0.567 RESID 148 (N): CA 55.160 55.160 55.736 -0.576 RESID 148 (N): CB 38.700 38.700 38.124 0.576 RESID 148 (N): H 7.496 7.496 8.532 -1.036 RESID 149 (I): N 120.000 120.000 119.639 0.361 RESID 149 (I): C 177.400 177.400 177.585 -0.185 RESID 149 (I): CA 64.450 64.450 64.952 -0.502 RESID 149 (I): CB 35.900 35.900 37.621 -1.721 RESID 149 (I): H 6.793 6.793 7.156 -0.363 RESID 150 (Y): N 117.400 117.400 118.058 -0.658 RESID 150 (Y): C 178.800 178.800 178.147 0.653 RESID 150 (Y): CA 59.730 59.730 61.582 -1.852 RESID 150 (Y): CB 35.970 35.970 37.703 -1.734 RESID 150 (Y): H 6.897 6.897 7.394 -0.497 RESID 151 (S): N 117.000 117.000 115.027 1.973 RESID 151 (S): C 177.000 177.000 177.069 -0.069 RESID 151 (S): CA 61.300 61.300 61.888 -0.588 RESID 151 (S): CB 62.100 62.100 62.415 -0.315 RESID 151 (S): H 8.186 8.186 8.274 -0.088 RESID 152 (D): N 122.300 122.300 123.359 -1.059 RESID 152 (D): C 179.000 179.000 178.333 0.667 RESID 152 (D): CA 56.580 56.580 56.839 -0.259 RESID 152 (D): CB 38.240 38.240 40.375 -2.135 RESID 152 (D): H 7.541 7.541 7.699 -0.158 RESID 153 (L): N 124.100 124.100 121.243 2.857 RESID 153 (L): C 180.300 180.300 178.499 1.801 RESID 153 (L): CA 58.160 58.160 57.545 0.615 RESID 153 (L): CB 41.630 41.630 41.823 -0.193 RESID 153 (L): H 8.372 8.372 7.774 0.598 RESID 154 (T): N 111.900 111.900 113.252 -1.352 RESID 154 (T): C 176.700 176.700 175.373 1.327 RESID 154 (T): CA 63.920 63.920 65.437 -1.517 RESID 154 (T): CB 68.700 68.700 68.973 -0.273 RESID 154 (T): H 8.389 8.389 8.291 0.098 RESID 155 (A): N 121.800 121.800 120.167 1.633 RESID 155 (A): C 178.200 178.200 178.064 0.136 RESID 155 (A): CA 51.640 51.640 52.335 -0.695 RESID 155 (A): CB 18.990 18.990 19.439 -0.449 RESID 155 (A): H 7.444 7.444 7.079 0.365 RESID 156 (G): N 107.800 107.800 107.144 0.656 RESID 156 (G): C 175.100 175.100 175.363 -0.263 RESID 156 (G): CA 45.420 45.420 45.182 0.238 RESID 156 (G): H 7.921 7.921 7.976 -0.055 RESID 157 (R): N 119.000 119.000 119.195 -0.195 RESID 157 (R): C 176.600 176.600 175.729 0.871 RESID 157 (R): CA 57.260 57.260 57.585 -0.325 RESID 157 (R): CB 30.400 30.400 30.755 -0.355 RESID 157 (R): H 8.443 8.443 8.079 0.364 RESID 158 (I): N 108.900 108.900 112.998 -4.098 RESID 158 (I): C 173.700 173.700 174.313 -0.613 RESID 158 (I): CA 59.900 59.900 59.225 0.675 RESID 158 (I): CB 40.070 40.070 40.979 -0.909 RESID 158 (I): H 7.109 7.109 7.129 -0.020 RESID 159 (D): N 119.100 119.100 124.013 -4.913 RESID 159 (D): C 174.700 174.700 175.663 -0.963 RESID 159 (D): CA 55.900 55.900 56.315 -0.414 RESID 159 (D): CB 43.630 43.630 41.681 1.948 RESID 159 (D): H 8.737 8.737 8.486 0.251 RESID 160 (A): N 116.400 116.400 116.412 -0.012 RESID 160 (A): C 174.900 174.900 174.321 0.579 RESID 160 (A): CA 50.190 50.190 51.488 -1.298 RESID 160 (A): CB 23.030 23.030 21.341 1.689 RESID 160 (A): H 7.702 7.702 7.162 0.540 RESID 161 (A): N 123.400 123.400 121.781 1.619 RESID 161 (A): C 175.500 175.500 175.658 -0.158 RESID 161 (A): CA 49.730 49.730 50.311 -0.581 RESID 161 (A): CB 21.110 21.110 21.586 -0.476 RESID 161 (A): H 8.915 8.915 7.988 0.927 RESID 162 (F): N 125.100 125.100 122.634 2.466 RESID 162 (F): C 172.900 172.900 175.024 -2.124 RESID 162 (F): CA 54.500 54.500 58.212 -3.712 RESID 162 (F): CB 39.400 39.400 38.811 0.589 RESID 162 (F): H 8.971 8.971 8.501 0.470 RESID 163 (Q): N 124.600 124.600 123.394 1.206 RESID 163 (Q): C 173.400 173.400 173.713 -0.313 RESID 163 (Q): CA 53.550 53.550 53.642 -0.092 RESID 163 (Q): CB 34.390 34.390 33.131 1.259 RESID 163 (Q): H 7.904 7.904 8.300 -0.396 RESID 164 (D): N 122.300 122.300 121.224 1.076 RESID 164 (D): C 175.800 175.800 177.268 -1.468 RESID 164 (D): CA 55.540 55.540 54.501 1.039 RESID 164 (D): CB 42.370 42.370 42.063 0.307 RESID 164 (D): H 8.304 8.304 8.454 -0.150 RESID 165 (E): N 128.600 128.600 122.732 5.868 RESID 165 (E): C 177.700 177.700 178.138 -0.438 RESID 165 (E): CA 60.230 60.230 60.142 0.088 RESID 165 (E): CB 30.020 30.020 29.845 0.175 RESID 165 (E): H 8.605 8.605 8.776 -0.171 RESID 166 (V): N 120.100 120.100 118.889 1.211 RESID 166 (V): C 178.300 178.300 177.314 0.986 RESID 166 (V): CA 66.800 66.800 66.722 0.078 RESID 166 (V): CB 30.070 30.070 30.301 -0.231 RESID 166 (V): H 8.748 8.748 8.230 0.518 RESID 167 (A): N 123.200 123.200 120.037 3.163 RESID 167 (A): C 182.500 182.500 179.093 3.407 RESID 167 (A): CA 54.980 54.980 54.731 0.249 RESID 167 (A): CB 17.910 17.910 18.050 -0.140 RESID 167 (A): H 8.655 8.655 7.969 0.686 RESID 168 (A): N 121.300 121.300 122.148 -0.848 RESID 168 (A): C 179.800 179.800 179.727 0.073 RESID 168 (A): CA 54.180 54.180 54.538 -0.358 RESID 168 (A): CB 18.750 18.750 18.434 0.316 RESID 168 (A): H 8.349 8.349 7.879 0.470 RESID 169 (S): N 113.400 113.400 114.432 -1.032 RESID 169 (S): C 175.700 175.700 176.172 -0.472 RESID 169 (S): CA 61.050 61.050 62.551 -1.502 RESID 169 (S): CB 63.050 63.050 62.648 0.402 RESID 169 (S): H 8.058 8.058 8.165 -0.107 RESID 170 (E): N 115.600 115.600 120.411 -4.811 RESID 170 (E): C 178.800 178.800 177.406 1.394 RESID 170 (E): CA 57.610 57.610 58.110 -0.500 RESID 170 (E): CB 29.790 29.790 29.040 0.750 RESID 170 (E): H 8.824 8.824 7.857 0.967 RESID 171 (G): N 103.400 103.400 104.878 -1.478 RESID 171 (G): C 173.700 173.700 175.035 -1.335 RESID 171 (G): CA 44.970 44.970 45.268 -0.298 RESID 171 (G): H 8.154 8.154 7.315 0.839 RESID 172 (F): N 120.100 120.100 122.523 -2.423 RESID 172 (F): C 175.200 175.200 177.706 -2.506 RESID 172 (F): CA 60.690 60.690 61.159 -0.469 RESID 172 (F): CB 40.740 40.740 39.087 1.653 RESID 172 (F): H 7.297 7.297 8.358 -1.061 RESID 173 (L): N 117.800 117.800 117.833 -0.033 RESID 173 (L): C 179.000 179.000 178.312 0.688 RESID 173 (L): CA 57.670 57.670 56.875 0.795 RESID 173 (L): CB 40.020 40.020 41.844 -1.824 RESID 173 (L): H 8.470 8.470 7.522 0.948 RESID 174 (K): N 114.600 114.600 116.403 -1.803 RESID 174 (K): C 176.900 176.900 176.431 0.469 RESID 174 (K): CA 56.450 56.450 57.302 -0.852 RESID 174 (K): CB 31.770 31.770 32.653 -0.883 RESID 174 (K): H 8.018 8.018 7.601 0.417 RESID 175 (Q): N 118.800 118.800 116.834 1.966 RESID 175 (Q): C 176.000 176.000 174.012 1.988 RESID 175 (Q): CA 52.510 52.510 52.274 0.236 RESID 175 (Q): CB 26.740 26.740 29.823 -3.083 RESID 175 (Q): H 7.151 7.151 7.277 -0.126 RESID 176 (P): C 179.300 179.300 177.469 1.831 RESID 176 (P): CA 66.100 66.100 65.391 0.709 RESID 176 (P): CB 30.720 30.720 31.594 -0.874 RESID 177 (V): N 112.300 112.300 116.923 -4.623 RESID 177 (V): C 175.900 175.900 177.962 -2.062 RESID 177 (V): CA 62.860 62.860 66.066 -3.206 RESID 177 (V): CB 30.660 30.660 30.635 0.025 RESID 177 (V): H 7.480 7.480 7.811 -0.331 RESID 178 (G): N 109.700 109.700 105.611 4.089 RESID 178 (G): C 175.000 175.000 174.836 0.164 RESID 178 (G): CA 44.080 44.080 46.129 -2.049 RESID 178 (G): H 7.173 7.173 7.609 -0.436 RESID 179 (K): N 120.900 120.900 119.163 1.737 RESID 179 (K): C 177.100 177.100 177.647 -0.547 RESID 179 (K): CA 58.360 58.360 58.454 -0.094 RESID 179 (K): CB 31.260 31.260 32.312 -1.052 RESID 179 (K): H 6.972 6.972 7.215 -0.243 RESID 180 (D): N 117.200 117.200 117.046 0.154 RESID 180 (D): C 173.900 173.900 175.810 -1.910 RESID 180 (D): CA 53.920 53.920 55.858 -1.938 RESID 180 (D): CB 39.690 39.690 41.255 -1.565 RESID 180 (D): H 8.036 8.036 7.556 0.480 RESID 181 (Y): N 120.500 120.500 114.952 5.548 RESID 181 (Y): C 172.300 172.300 173.453 -1.153 RESID 181 (Y): CA 57.890 57.890 57.710 0.180 RESID 181 (Y): CB 41.860 41.860 42.284 -0.424 RESID 181 (Y): H 7.768 7.768 7.379 0.389 RESID 182 (K): N 116.900 116.900 118.650 -1.750 RESID 182 (K): C 174.900 174.900 174.269 0.631 RESID 182 (K): CA 54.330 54.330 56.465 -2.135 RESID 182 (K): CB 35.610 35.610 33.327 2.283 RESID 182 (K): H 9.497 9.497 8.843 0.654 RESID 183 (F): N 117.900 117.900 122.190 -4.290 RESID 183 (F): C 177.800 177.800 174.943 2.857 RESID 183 (F): CA 56.780 56.780 58.095 -1.315 RESID 183 (F): CB 38.320 38.320 42.854 -4.534 RESID 183 (F): H 8.470 8.470 7.847 0.623 RESID 184 (G): N 113.700 113.700 109.405 4.295 RESID 184 (G): C 173.300 173.300 174.701 -1.401 RESID 184 (G): CA 46.900 46.900 45.009 1.891 RESID 184 (G): H 9.107 9.107 8.835 0.272 RESID 185 (G): N 111.000 111.000 110.240 0.760 RESID 185 (G): C 171.100 171.100 172.912 -1.812 RESID 185 (G): CA 44.530 44.530 45.570 -1.040 RESID 185 (G): H 7.702 7.702 8.474 -0.772 RESID 186 (P): C 175.500 175.500 176.203 -0.703 RESID 186 (P): CA 61.920 61.920 64.458 -2.538 RESID 186 (P): CB 32.640 32.640 31.861 0.779 RESID 187 (S): N 113.500 113.500 120.230 -6.730 RESID 187 (S): C 173.500 173.500 173.794 -0.294 RESID 187 (S): CA 57.930 57.930 57.499 0.431 RESID 187 (S): CB 63.260 63.260 65.626 -2.366 RESID 187 (S): H 8.452 8.452 8.321 0.131 RESID 188 (V): N 123.300 123.300 121.696 1.604 RESID 188 (V): C 173.900 173.900 173.632 0.268 RESID 188 (V): CA 61.800 61.800 62.346 -0.546 RESID 188 (V): CB 32.680 32.680 34.709 -2.029 RESID 188 (V): H 9.080 9.080 7.844 1.236 RESID 189 (K): N 125.200 125.200 122.476 2.724 RESID 189 (K): C 176.700 176.700 174.082 2.618 RESID 189 (K): CA 54.680 54.680 56.188 -1.508 RESID 189 (K): CB 33.780 33.780 34.734 -0.954 RESID 189 (K): H 8.123 8.123 8.142 -0.019 RESID 190 (D): N 120.300 120.300 122.114 -1.814 RESID 190 (D): C 175.300 175.300 176.889 -1.589 RESID 190 (D): CA 55.610 55.610 53.440 2.170 RESID 190 (D): CB 42.620 42.620 40.401 2.219 RESID 190 (D): H 8.823 8.823 8.295 0.528 RESID 191 (E): N 129.100 129.100 126.626 2.474 RESID 191 (E): C 177.300 177.300 177.553 -0.253 RESID 191 (E): CA 59.310 59.310 58.475 0.835 RESID 191 (E): CB 28.420 28.420 29.518 -1.098 RESID 191 (E): H 9.239 9.239 8.842 0.397 RESID 192 (K): N 118.000 118.000 119.266 -1.266 RESID 192 (K): C 178.200 178.200 178.090 0.110 RESID 192 (K): CA 58.140 58.140 58.921 -0.781 RESID 192 (K): CB 31.690 31.690 32.144 -0.454 RESID 192 (K): H 7.918 7.918 8.761 -0.843 RESID 193 (L): N 118.200 118.200 118.557 -0.357 RESID 193 (L): C 177.700 177.700 178.324 -0.624 RESID 193 (L): CA 55.790 55.790 56.931 -1.141 RESID 193 (L): CB 42.330 42.330 41.915 0.415 RESID 193 (L): H 8.362 8.362 7.200 1.162 RESID 194 (F): N 116.800 116.800 115.202 1.598 RESID 194 (F): C 178.200 178.200 175.884 2.316 RESID 194 (F): CA 54.620 54.620 57.156 -2.536 RESID 194 (F): CB 37.390 37.390 39.285 -1.895 RESID 194 (F): H 8.036 8.036 7.359 0.677 RESID 195 (G): N 106.900 106.900 108.855 -1.955 RESID 195 (G): C 174.200 174.200 173.870 0.330 RESID 195 (G): CA 44.120 44.120 45.013 -0.893 RESID 195 (G): H 7.510 7.510 7.680 -0.170 RESID 196 (V): N 112.400 112.400 123.579 -11.179 RESID 196 (V): C 175.300 175.300 175.993 -0.693 RESID 196 (V): CA 60.720 60.720 64.246 -3.526 RESID 196 (V): CB 30.630 30.630 32.171 -1.541 RESID 196 (V): H 8.064 8.064 8.292 -0.228 RESID 197 (G): N 108.100 108.100 105.297 2.803 RESID 197 (G): C 172.300 172.300 172.005 0.295 RESID 197 (G): CA 43.210 43.210 45.249 -2.039 RESID 197 (G): H 7.788 7.788 7.234 0.554 RESID 198 (T): N 109.200 109.200 113.748 -4.548 RESID 198 (T): C 172.800 172.800 173.225 -0.425 RESID 198 (T): CA 59.090 59.090 59.365 -0.275 RESID 198 (T): CB 71.080 71.080 71.291 -0.211 RESID 198 (T): H 7.796 7.796 7.945 -0.149 RESID 199 (G): N 103.900 103.900 108.588 -4.688 RESID 199 (G): C 171.800 171.800 172.587 -0.787 RESID 199 (G): CA 43.840 43.840 45.344 -1.504 RESID 199 (G): H 7.928 7.928 7.843 0.085 RESID 200 (M): N 121.400 121.400 119.854 1.546 RESID 200 (M): C 176.200 176.200 175.978 0.222 RESID 200 (M): CA 55.260 55.260 55.244 0.016 RESID 200 (M): CB 33.390 33.390 35.006 -1.616 RESID 200 (M): H 7.971 7.971 8.495 -0.524 RESID 201 (G): N 112.200 112.200 110.697 1.503 RESID 201 (G): C 172.000 172.000 172.796 -0.796 RESID 201 (G): CA 44.540 44.540 44.414 0.126 RESID 201 (G): H 8.818 8.818 8.322 0.496 RESID 202 (L): N 124.700 124.700 124.810 -0.110 RESID 202 (L): C 176.000 176.000 175.876 0.124 RESID 202 (L): CA 53.740 53.740 52.832 0.908 RESID 202 (L): CB 46.010 46.010 46.106 -0.096 RESID 202 (L): H 8.767 8.767 8.609 0.158 RESID 203 (R): N 121.600 121.600 120.176 1.424 RESID 203 (R): C 180.400 180.400 177.904 2.496 RESID 203 (R): CA 57.130 57.130 55.463 1.667 RESID 203 (R): CB 29.650 29.650 31.324 -1.674 RESID 203 (R): H 10.270 10.270 8.244 2.026 RESID 204 (K): N 123.200 123.200 124.635 -1.435 RESID 204 (K): C 178.200 178.200 177.541 0.659 RESID 204 (K): CA 59.570 59.570 59.727 -0.157 RESID 204 (K): CB 31.840 31.840 32.070 -0.230 RESID 204 (K): H 9.231 9.231 8.662 0.569 RESID 205 (E): N 113.800 113.800 117.197 -3.397 RESID 205 (E): C 177.700 177.700 177.937 -0.237 RESID 205 (E): CA 57.230 57.230 58.278 -1.048 RESID 205 (E): CB 27.770 27.770 28.922 -1.152 RESID 205 (E): H 9.026 9.026 8.222 0.804 RESID 206 (D): N 126.000 126.000 120.772 5.228 RESID 206 (D): C 177.300 177.300 176.518 0.782 RESID 206 (D): CA 53.710 53.710 53.676 0.034 RESID 206 (D): CB 37.530 37.530 38.697 -1.167 RESID 206 (D): H 7.253 7.253 8.040 -0.787 RESID 207 (N): N 120.100 120.100 120.412 -0.312 RESID 207 (N): C 176.900 176.900 177.011 -0.111 RESID 207 (N): CA 56.950 56.950 56.411 0.539 RESID 207 (N): CB 38.820 38.820 38.898 -0.078 RESID 207 (N): H 7.839 7.839 8.734 -0.895 RESID 208 (E): N 120.500 120.500 118.547 1.953 RESID 208 (E): C 179.900 179.900 178.360 1.540 RESID 208 (E): CA 59.870 59.870 58.931 0.939 RESID 208 (E): CB 27.630 27.630 29.412 -1.782 RESID 208 (E): H 8.776 8.776 8.387 0.389 RESID 209 (L): N 122.900 122.900 120.525 2.375 RESID 209 (L): C 177.100 177.100 178.233 -1.133 RESID 209 (L): CA 57.400 57.400 57.384 0.016 RESID 209 (L): CB 40.660 40.660 41.816 -1.157 RESID 209 (L): H 8.366 8.366 7.790 0.576 RESID 210 (R): N 119.100 119.100 118.773 0.327 RESID 210 (R): C 177.400 177.400 178.186 -0.786 RESID 210 (R): CA 59.970 59.970 59.770 0.200 RESID 210 (R): CB 30.110 30.110 30.023 0.087 RESID 210 (R): H 7.582 7.582 8.346 -0.764 RESID 211 (E): N 116.200 116.200 119.233 -3.033 RESID 211 (E): C 179.800 179.800 178.533 1.267 RESID 211 (E): CA 59.150 59.150 59.258 -0.108 RESID 211 (E): CB 28.600 28.600 29.578 -0.978 RESID 211 (E): H 8.407 8.407 7.879 0.528 RESID 212 (A): N 123.500 123.500 122.686 0.814 RESID 212 (A): C 181.300 181.300 179.635 1.665 RESID 212 (A): CA 54.810 54.810 54.706 0.104 RESID 212 (A): CB 17.170 17.170 18.145 -0.975 RESID 212 (A): H 8.128 8.128 7.590 0.538 RESID 213 (L): N 121.200 121.200 119.710 1.490 RESID 213 (L): C 178.400 178.400 179.647 -1.247 RESID 213 (L): CA 57.710 57.710 58.155 -0.445 RESID 213 (L): CB 41.450 41.450 41.126 0.324 RESID 213 (L): H 8.364 8.364 8.076 0.287 RESID 214 (N): N 119.200 119.200 116.372 2.828 RESID 214 (N): C 179.700 179.700 177.842 1.858 RESID 214 (N): CA 55.260 55.260 55.871 -0.611 RESID 214 (N): CB 37.120 37.120 37.932 -0.812 RESID 214 (N): H 8.435 8.435 8.387 0.048 RESID 215 (K): N 123.800 123.800 121.348 2.452 RESID 215 (K): C 178.400 178.400 178.518 -0.118 RESID 215 (K): CA 59.090 59.090 59.389 -0.299 RESID 215 (K): CB 31.740 31.740 32.483 -0.743 RESID 215 (K): H 8.080 8.080 8.431 -0.351 RESID 216 (A): N 122.200 122.200 121.753 0.447 RESID 216 (A): C 179.500 179.500 179.505 -0.005 RESID 216 (A): CA 54.140 54.140 54.877 -0.737 RESID 216 (A): CB 18.700 18.700 18.277 0.423 RESID 216 (A): H 7.935 7.935 8.329 -0.394 RESID 217 (F): N 119.500 119.500 120.137 -0.637 RESID 217 (F): C 177.200 177.200 176.981 0.219 RESID 217 (F): CA 61.390 61.390 60.313 1.077 RESID 217 (F): CB 38.000 38.000 39.071 -1.071 RESID 217 (F): H 8.916 8.916 8.320 0.596 RESID 218 (A): N 121.300 121.300 121.208 0.092 RESID 218 (A): C 182.100 182.100 179.676 2.424 RESID 218 (A): CA 54.810 54.810 55.206 -0.396 RESID 218 (A): CB 16.650 16.650 17.998 -1.348 RESID 218 (A): H 7.956 7.956 8.155 -0.199 RESID 219 (E): N 120.000 120.000 119.040 0.960 RESID 219 (E): C 178.600 178.600 179.013 -0.413 RESID 219 (E): CA 59.040 59.040 59.314 -0.274 RESID 219 (E): CB 28.320 28.320 29.487 -1.167 RESID 219 (E): H 7.952 7.952 7.846 0.106 RESID 220 (M): N 120.900 120.900 118.197 2.703 RESID 220 (M): C 179.000 179.000 178.612 0.388 RESID 220 (M): CA 57.430 57.430 59.538 -2.108 RESID 220 (M): CB 32.620 32.620 32.441 0.179 RESID 220 (M): H 8.190 8.190 8.177 0.013 RESID 221 (R): N 119.200 119.200 118.393 0.807 RESID 221 (R): C 179.300 179.300 178.882 0.418 RESID 221 (R): CA 58.710 58.710 58.932 -0.222 RESID 221 (R): CB 27.480 27.480 29.866 -2.386 RESID 221 (R): H 7.762 7.762 7.518 0.244 RESID 222 (A): N 122.500 122.500 122.072 0.428 RESID 222 (A): C 179.300 179.300 178.917 0.383 RESID 222 (A): CA 54.180 54.180 54.618 -0.438 RESID 222 (A): CB 18.030 18.030 18.564 -0.534 RESID 222 (A): H 7.838 7.838 7.747 0.091 RESID 223 (D): N 115.100 115.100 114.601 0.499 RESID 223 (D): C 177.900 177.900 177.258 0.642 RESID 223 (D): CA 53.020 53.020 53.119 -0.099 RESID 223 (D): CB 39.570 39.570 40.388 -0.818 RESID 223 (D): H 8.091 8.091 7.977 0.114 RESID 224 (G): N 106.700 106.700 108.952 -2.252 RESID 224 (G): C 176.000 176.000 175.991 0.009 RESID 224 (G): CA 45.070 45.070 46.358 -1.288 RESID 224 (G): H 7.199 7.199 7.536 -0.337 RESID 225 (T): N 122.400 122.400 117.114 5.286 RESID 225 (T): C 175.700 175.700 175.356 0.344 RESID 225 (T): CA 67.610 67.610 67.836 -0.226 RESID 225 (T): CB 66.840 66.840 68.764 -1.924 RESID 225 (T): H 9.095 9.095 8.745 0.350 RESID 226 (Y): N 121.500 121.500 121.722 -0.222 RESID 226 (Y): C 176.000 176.000 176.915 -0.915 RESID 226 (Y): CA 62.530 62.530 62.287 0.243 RESID 226 (Y): CB 38.410 38.410 38.324 0.086 RESID 226 (Y): H 8.040 8.040 7.653 0.387 RESID 227 (E): N 118.200 118.200 118.710 -0.510 RESID 227 (E): C 178.200 178.200 178.698 -0.498 RESID 227 (E): CA 58.940 58.940 59.487 -0.548 RESID 227 (E): CB 28.810 28.810 29.127 -0.317 RESID 227 (E): H 8.153 8.153 8.599 -0.446 RESID 228 (K): N 119.100 119.100 120.370 -1.270 RESID 228 (K): C 179.500 179.500 179.065 0.435 RESID 228 (K): CA 59.260 59.260 59.486 -0.226 RESID 228 (K): CB 31.520 31.520 32.420 -0.900 RESID 228 (K): H 7.558 7.558 8.385 -0.827 RESID 229 (L): N 119.100 119.100 119.394 -0.294 RESID 229 (L): C 179.300 179.300 178.803 0.497 RESID 229 (L): CA 56.970 56.970 57.704 -0.734 RESID 229 (L): CB 41.520 41.520 41.883 -0.363 RESID 229 (L): H 8.055 8.055 8.080 -0.025 RESID 230 (A): N 121.200 121.200 122.145 -0.945 RESID 230 (A): C 180.500 180.500 179.224 1.276 RESID 230 (A): CA 54.890 54.890 55.526 -0.636 RESID 230 (A): CB 17.570 17.570 17.715 -0.145 RESID 230 (A): H 8.901 8.901 8.347 0.554 RESID 231 (K): N 117.200 117.200 118.332 -1.132 RESID 231 (K): C 177.700 177.700 178.406 -0.706 RESID 231 (K): CA 57.370 57.370 58.889 -1.520 RESID 231 (K): CB 31.330 31.330 32.303 -0.973 RESID 231 (K): H 8.062 8.062 8.089 -0.027 RESID 232 (K): N 117.600 117.600 117.061 0.539 RESID 232 (K): C 176.800 176.800 179.135 -2.335 RESID 232 (K): CA 57.890 57.890 58.685 -0.795 RESID 232 (K): CB 31.150 31.150 32.641 -1.490 RESID 232 (K): H 7.053 7.053 7.405 -0.352 RESID 233 (Y): N 114.000 114.000 117.032 -3.032 RESID 233 (Y): C 175.100 175.100 175.737 -0.637 RESID 233 (Y): CA 58.110 58.110 61.186 -3.076 RESID 233 (Y): CB 39.360 39.360 38.851 0.509 RESID 233 (Y): H 7.013 7.013 7.994 -0.981 RESID 234 (F): N 116.400 116.400 113.397 3.003 RESID 234 (F): C 175.800 175.800 173.427 2.373 RESID 234 (F): CA 54.920 54.920 56.743 -1.823 RESID 234 (F): CB 41.260 41.260 42.784 -1.524 RESID 234 (F): H 8.038 8.038 8.157 -0.119 RESID 235 (D): N 123.000 123.000 120.747 2.253 RESID 235 (D): C 174.500 174.500 174.994 -0.494 RESID 235 (D): CA 52.680 52.680 53.334 -0.654 RESID 235 (D): CB 39.860 39.860 39.548 0.312 RESID 235 (D): H 8.879 8.879 8.620 0.259 RESID 236 (F): N 115.500 115.500 122.016 -6.516 RESID 236 (F): C 173.600 173.600 173.568 0.032 RESID 236 (F): CA 53.950 53.950 56.279 -2.329 RESID 236 (F): CB 39.860 39.860 39.809 0.051 RESID 236 (F): H 6.793 6.793 7.448 -0.655 RESID 237 (D): N 119.700 119.700 122.045 -2.345 RESID 237 (D): C 175.800 175.800 177.088 -1.288 RESID 237 (D): CA 52.980 52.980 52.580 0.400 RESID 237 (D): CB 39.210 39.210 41.906 -2.696 RESID 237 (D): H 8.831 8.831 8.673 0.158 RESID 238 (V): N 129.900 129.900 122.639 7.261 RESID 238 (V): C 175.200 175.200 176.694 -1.494 RESID 238 (V): CA 61.840 61.840 65.101 -3.261 RESID 238 (V): CB 32.500 32.500 31.843 0.657 RESID 238 (V): H 7.376 7.376 8.410 -1.034 RESID 239 (Y): N 123.500 123.500 118.074 5.426 RESID 239 (Y): C 176.500 176.500 178.653 -2.153 RESID 239 (Y): CA 61.920 61.920 60.807 1.113 RESID 239 (Y): CB 38.010 38.010 37.880 0.130 RESID 239 (Y): H 8.314 8.314 8.413 -0.099 RESID 240 (G): N 104.100 104.100 104.490 -0.390 RESID 240 (G): C 174.600 174.600 174.856 -0.256 RESID 240 (G): CA 45.930 45.930 45.412 0.518 RESID 240 (G): H 7.428 7.428 7.937 -0.509 N HA C CA CB H RESID 6 (P): ----- ----- -0.707 -0.620 -0.727 ----- RESID 7 (Q): 0.469 ----- -0.398 -0.902 -0.493 -0.334 RESID 8 (N): 1.545 ----- -0.525 -0.610 -0.829 -0.343 RESID 9 (I): -2.432 ----- -0.168 -0.718 0.106 -0.725 RESID 10 (R): -1.283 ----- 0.751 -1.780 -0.260 0.377 RESID 11 (I): 3.292 ----- 0.343 0.099 -4.008 0.274 RESID 12 (G): 0.454 ----- -1.546 0.189 ----- 0.787 RESID 13 (T): -1.354 ----- 8.601 -0.305 -1.637 0.599 RESID 14 (D): -0.760 ----- 2.835 -0.589 -1.629 -0.501 RESID 15 (P): ----- ----- -1.066 -1.422 -4.501 ----- RESID 16 (T): 5.553 ----- 0.747 -2.451 -1.204 0.480 RESID 17 (Y): 3.898 ----- -0.460 -1.901 0.295 0.900 RESID 18 (A): 2.434 ----- -0.454 -4.581 -0.182 0.019 RESID 19 (P): ----- ----- -3.955 -2.232 0.186 ----- RESID 20 (F): 7.481 ----- 1.779 2.675 -3.179 -0.142 RESID 21 (E): -2.712 ----- -0.840 -0.823 -5.372 -0.791 RESID 22 (S): 4.065 ----- -0.783 -1.268 -1.220 0.438 RESID 23 (K): -1.850 ----- 2.612 -1.676 -1.805 0.006 RESID 24 (N): 1.609 ----- 1.057 -1.278 -1.880 0.075 RESID 25 (S): ----- ----- -0.024 0.003 -0.195 ----- RESID 26 (Q): -0.196 ----- -0.573 -0.409 -0.456 -0.359 RESID 27 (G): 1.134 ----- -0.368 -0.006 ----- 0.260 RESID 28 (E): 0.505 ----- 0.196 -1.376 -0.900 -0.206 RESID 29 (L): 2.489 ----- 0.512 0.576 -1.571 -0.052 RESID 30 (V): -4.428 ----- 1.712 -1.742 0.118 0.987 RESID 31 (G): -0.728 ----- 0.867 -1.395 ----- 1.110 RESID 32 (F): -2.917 ----- 1.924 -0.283 -0.311 0.064 RESID 33 (D): -2.560 ----- 1.067 -0.353 -1.602 1.742 RESID 34 (I): -0.881 ----- 0.275 -3.811 -4.187 -1.193 RESID 35 (D): 0.654 ----- 1.614 -0.305 0.107 0.742 RESID 36 (L): -0.442 ----- 0.511 -0.078 0.662 1.292 RESID 37 (A): -1.641 ----- -0.916 -0.162 -1.074 0.745 RESID 38 (K): -2.885 ----- 0.936 0.521 -0.501 0.670 RESID 39 (E): 2.168 ----- -1.092 -0.902 -1.526 -0.104 RESID 40 (L): 1.123 ----- -0.138 0.227 -1.500 0.626 RESID 41 (C): -2.845 ----- -1.679 -0.398 21.407 -0.158 RESID 42 (K): -0.275 ----- 1.624 -0.652 -0.925 -0.589 RESID 43 (R): 1.397 ----- 0.024 0.291 -0.220 0.508 RESID 44 (I): -5.737 ----- -0.821 -2.168 -1.539 -0.704 RESID 45 (N): 3.078 ----- -0.343 -0.949 0.710 -0.277 RESID 46 (T): 7.139 ----- 0.312 -0.317 -1.298 -0.033 RESID 47 (Q): 3.590 ----- 0.822 -0.501 -1.945 -0.254 RESID 48 (C): -0.347 ----- -0.659 -4.639 17.833 0.209 RESID 49 (T): -2.040 ----- 0.146 -1.035 -0.041 -0.521 RESID 50 (F): -2.222 ----- -0.122 -0.044 0.500 0.341 RESID 51 (V): 2.429 ----- -0.040 -0.028 -1.626 0.212 RESID 52 (E): -2.164 ----- 1.652 -2.790 -1.026 -0.154 RESID 53 (N): 6.307 ----- -1.806 -0.205 5.622 0.684 RESID 54 (P): ----- ----- -0.206 -0.707 -1.434 ----- RESID 55 (L): 0.030 ----- 0.881 -1.107 0.105 0.293 RESID 56 (D): -3.621 ----- -0.834 -0.778 -0.540 0.124 RESID 57 (A): 0.458 ----- 1.033 -2.186 -0.464 -0.262 RESID 58 (L): 1.119 ----- -0.958 0.856 -1.756 -0.309 RESID 59 (I): 0.110 ----- 1.248 1.642 -0.710 1.380 RESID 60 (P): ----- ----- 0.875 -0.585 -1.284 ----- RESID 61 (S): -0.139 ----- -1.212 0.403 ----- -0.357 RESID 62 (L): 3.185 ----- 1.940 -0.359 0.002 0.177 RESID 63 (K): 1.868 ----- -0.245 0.240 -1.694 0.756 RESID 64 (A): 0.188 ----- -0.454 -0.234 -0.309 -0.295 RESID 65 (K): -1.808 ----- -0.450 -0.164 -2.155 0.060 RESID 66 (K): 2.880 ----- -0.551 -1.269 -0.844 0.592 RESID 67 (I): -5.162 ----- -1.413 -0.019 -0.532 -0.224 RESID 68 (D): -3.471 ----- -3.747 0.251 1.707 1.255 RESID 69 (A): -0.901 ----- 1.085 -1.037 -0.203 -0.115 RESID 70 (I): -0.408 ----- -0.023 -0.564 0.293 1.282 RESID 71 (M): -1.016 ----- -1.225 -2.010 -0.279 0.209 RESID 72 (S): 2.505 ----- -1.929 1.089 -0.541 0.149 RESID 73 (S): 5.090 ----- 0.035 -1.070 0.102 -0.087 RESID 74 (L): -4.194 ----- -0.671 -1.431 -0.471 1.342 RESID 75 (S): 1.889 ----- 0.859 1.853 -1.657 0.212 RESID 76 (I): 9.149 ----- 1.076 1.620 -3.788 0.025 RESID 77 (T): 3.047 ----- -0.289 -2.192 -0.740 -1.014 RESID 78 (E): -0.453 ----- 1.620 -1.740 -0.631 0.015 RESID 79 (K): 0.036 ----- 1.537 -0.308 -0.688 0.051 RESID 80 (R): -0.333 ----- 0.141 0.351 0.287 0.270 RESID 81 (Q): -0.576 ----- -2.132 -1.378 0.315 0.171 RESID 82 (Q): -2.028 ----- -0.377 -0.972 -0.636 -0.614 RESID 83 (E): -2.090 ----- -0.905 -1.386 1.883 -0.300 RESID 84 (I): 3.241 ----- -1.323 0.457 -0.673 0.274 RESID 85 (A): 0.221 ----- -0.210 -1.083 0.766 0.214 RESID 86 (F): -3.396 ----- 2.935 -0.921 0.264 -0.326 RESID 87 (T): -6.586 ----- 0.887 0.900 2.609 -0.421 RESID 88 (D): -2.205 ----- -1.434 -0.814 1.020 -0.043 RESID 89 (K): 1.368 ----- -0.651 -1.677 0.330 -0.060 RESID 90 (L): -2.540 ----- 0.156 -2.692 -1.338 0.184 RESID 91 (Y): 0.470 ----- -1.036 0.364 -2.875 -0.442 RESID 92 (A): 0.686 ----- -1.089 0.920 0.733 -0.939 RESID 93 (A): -0.761 ----- -0.923 0.419 -0.030 0.410 RESID 94 (D): 1.349 ----- -0.827 -1.252 -0.214 0.753 RESID 95 (S): -1.876 ----- -1.477 0.464 -0.113 -1.036 RESID 96 (R): 4.525 ----- -0.157 1.562 -0.301 0.371 RESID 97 (L): -0.969 ----- 1.679 0.300 -1.750 1.267 RESID 98 (V): 0.787 ----- 0.695 0.883 0.390 1.466 RESID 99 (V): -5.407 ----- 0.701 -0.276 1.208 0.984 RESID 100 (A): 0.248 ----- 0.855 1.936 -1.813 0.748 RESID 101 (K): -4.276 ----- -0.363 0.455 -0.620 -1.066 RESID 102 (N): -1.144 ----- 0.260 -2.310 -1.618 -0.255 RESID 103 (S): 0.123 ----- 2.717 0.693 0.414 0.110 RESID 104 (D): -0.787 ----- 1.523 -1.005 -0.577 0.005 RESID 105 (I): -2.055 ----- -0.843 3.023 -2.985 -0.375 RESID 106 (Q): -0.522 ----- 0.825 -0.711 1.314 -0.324 RESID 107 (P): ----- ----- -0.496 -1.765 -4.124 ----- RESID 108 (T): -3.084 ----- -0.389 -3.940 -0.974 0.837 RESID 109 (V): -1.498 ----- 0.364 0.853 -2.188 0.290 RESID 110 (E): -3.923 ----- -0.278 -0.872 -0.878 0.027 RESID 111 (S): -0.232 ----- 0.577 -1.619 1.209 -1.056 RESID 112 (L): -4.309 ----- 0.001 -0.797 0.088 0.347 RESID 113 (K): 1.811 ----- 0.694 0.612 -1.414 -0.303 RESID 114 (G): 0.973 ----- -0.596 -0.114 ----- 0.098 RESID 115 (K): -1.143 ----- -1.326 -1.053 -1.275 0.666 RESID 116 (R): -1.395 ----- 0.574 -1.174 0.663 1.005 RESID 117 (V): 2.982 ----- 0.295 -0.294 -1.839 0.662 RESID 118 (G): 0.566 ----- -0.333 1.400 ----- 1.355 RESID 119 (V): -5.987 ----- 0.067 -2.176 -0.617 -0.139 RESID 120 (L): 0.259 ----- 1.241 -0.275 -1.430 0.137 RESID 121 (Q): 0.836 ----- -0.339 -0.414 -1.614 0.302 RESID 122 (G): 0.052 ----- 1.540 -0.236 ----- 0.652 RESID 123 (T): -1.727 ----- 2.374 0.252 2.887 -0.518 RESID 124 (T): 1.338 ----- 1.579 -0.718 -0.971 0.276 RESID 125 (Q): -1.794 ----- 0.204 1.921 -2.737 -0.751 RESID 126 (E): 2.119 ----- -1.294 -0.212 -0.908 -0.093 RESID 127 (T): 1.589 ----- -0.184 -0.494 -1.137 0.557 RESID 128 (F): -0.086 ----- 0.470 0.880 -0.107 0.273 RESID 129 (G): -0.136 ----- -0.397 -0.523 ----- -0.269 RESID 130 (N): 4.540 ----- 0.361 0.050 -0.628 0.344 RESID 131 (E): 2.293 ----- 0.801 1.238 -1.420 0.418 RESID 132 (H): -6.035 ----- 0.354 -1.881 0.721 -0.018 RESID 133 (W): 1.849 ----- 0.593 -0.982 0.658 0.156 RESID 134 (A): 0.757 ----- 0.475 0.748 -0.800 1.179 RESID 135 (P): ----- ----- -0.052 -0.062 -0.182 ----- RESID 136 (K): -0.641 ----- -1.043 -2.367 -0.472 -0.443 RESID 137 (G): -2.233 ----- 0.771 0.369 ----- 0.199 RESID 138 (I): 5.023 ----- -0.391 0.341 -1.731 -0.591 RESID 139 (E): 1.119 ----- -1.201 0.428 -1.722 -0.113 RESID 140 (I): 7.868 ----- 1.343 -1.937 -6.167 0.290 RESID 141 (V): 7.795 ----- -0.115 -0.089 -3.792 0.444 RESID 142 (S): 2.798 ----- 1.476 0.317 -0.011 0.094 RESID 143 (Y): -2.721 ----- -0.480 -0.425 0.976 -0.293 RESID 144 (Q): -0.627 ----- 1.100 0.586 -1.380 0.231 RESID 145 (G): -0.532 ----- -0.656 -0.027 ----- -0.330 RESID 146 (Q): 1.418 ----- -0.145 -1.007 -0.445 0.087 RESID 147 (D): -0.525 ----- 0.428 -0.196 -0.854 -0.037 RESID 148 (N): -0.421 ----- -0.567 -0.576 0.576 -1.036 RESID 149 (I): 0.361 ----- -0.185 -0.502 -1.721 -0.363 RESID 150 (Y): -0.658 ----- 0.653 -1.852 -1.734 -0.497 RESID 151 (S): 1.973 ----- -0.069 -0.588 -0.315 -0.088 RESID 152 (D): -1.059 ----- 0.667 -0.259 -2.135 -0.158 RESID 153 (L): 2.857 ----- 1.801 0.615 -0.193 0.598 RESID 154 (T): -1.352 ----- 1.327 -1.517 -0.273 0.098 RESID 155 (A): 1.633 ----- 0.136 -0.695 -0.449 0.365 RESID 156 (G): 0.656 ----- -0.263 0.238 ----- -0.055 RESID 157 (R): -0.195 ----- 0.871 -0.325 -0.355 0.364 RESID 158 (I): -4.098 ----- -0.613 0.675 -0.909 -0.020 RESID 159 (D): -4.913 ----- -0.963 -0.414 1.948 0.251 RESID 160 (A): -0.012 ----- 0.579 -1.298 1.689 0.540 RESID 161 (A): 1.619 ----- -0.158 -0.581 -0.476 0.927 RESID 162 (F): 2.466 ----- -2.124 -3.712 0.589 0.470 RESID 163 (Q): 1.206 ----- -0.313 -0.092 1.259 -0.396 RESID 164 (D): 1.076 ----- -1.468 1.039 0.307 -0.150 RESID 165 (E): 5.868 ----- -0.438 0.088 0.175 -0.171 RESID 166 (V): 1.211 ----- 0.986 0.078 -0.231 0.518 RESID 167 (A): 3.163 ----- 3.407 0.249 -0.140 0.686 RESID 168 (A): -0.848 ----- 0.073 -0.358 0.316 0.470 RESID 169 (S): -1.032 ----- -0.472 -1.502 0.402 -0.107 RESID 170 (E): -4.811 ----- 1.394 -0.500 0.750 0.967 RESID 171 (G): -1.478 ----- -1.335 -0.298 ----- 0.839 RESID 172 (F): -2.423 ----- -2.506 -0.469 1.653 -1.061 RESID 173 (L): -0.033 ----- 0.688 0.795 -1.824 0.948 RESID 174 (K): -1.803 ----- 0.469 -0.852 -0.883 0.417 RESID 175 (Q): 1.966 ----- 1.988 0.236 -3.083 -0.126 RESID 176 (P): ----- ----- 1.831 0.709 -0.874 ----- RESID 177 (V): -4.623 ----- -2.062 -3.206 0.025 -0.331 RESID 178 (G): 4.089 ----- 0.164 -2.049 ----- -0.436 RESID 179 (K): 1.737 ----- -0.547 -0.094 -1.052 -0.243 RESID 180 (D): 0.154 ----- -1.910 -1.938 -1.565 0.480 RESID 181 (Y): 5.548 ----- -1.153 0.180 -0.424 0.389 RESID 182 (K): -1.750 ----- 0.631 -2.135 2.283 0.654 RESID 183 (F): -4.290 ----- 2.857 -1.315 -4.534 0.623 RESID 184 (G): 4.295 ----- -1.401 1.891 ----- 0.272 RESID 185 (G): 0.760 ----- -1.812 -1.040 ----- -0.772 RESID 186 (P): ----- ----- -0.703 -2.538 0.779 ----- RESID 187 (S): -6.730 ----- -0.294 0.431 -2.366 0.131 RESID 188 (V): 1.604 ----- 0.268 -0.546 -2.029 1.236 RESID 189 (K): 2.724 ----- 2.618 -1.508 -0.954 -0.019 RESID 190 (D): -1.814 ----- -1.589 2.170 2.219 0.528 RESID 191 (E): 2.474 ----- -0.253 0.835 -1.098 0.397 RESID 192 (K): -1.266 ----- 0.110 -0.781 -0.454 -0.843 RESID 193 (L): -0.357 ----- -0.624 -1.141 0.415 1.162 RESID 194 (F): 1.598 ----- 2.316 -2.536 -1.895 0.677 RESID 195 (G): -1.955 ----- 0.330 -0.893 ----- -0.170 RESID 196 (V): -11.179 ----- -0.693 -3.526 -1.541 -0.228 RESID 197 (G): 2.803 ----- 0.295 -2.039 ----- 0.554 RESID 198 (T): -4.548 ----- -0.425 -0.275 -0.211 -0.149 RESID 199 (G): -4.688 ----- -0.787 -1.504 ----- 0.085 RESID 200 (M): 1.546 ----- 0.222 0.016 -1.616 -0.524 RESID 201 (G): 1.503 ----- -0.796 0.126 ----- 0.496 RESID 202 (L): -0.110 ----- 0.124 0.908 -0.096 0.158 RESID 203 (R): 1.424 ----- 2.496 1.667 -1.674 2.026 RESID 204 (K): -1.435 ----- 0.659 -0.157 -0.230 0.569 RESID 205 (E): -3.397 ----- -0.237 -1.048 -1.152 0.804 RESID 206 (D): 5.228 ----- 0.782 0.034 -1.167 -0.787 RESID 207 (N): -0.312 ----- -0.111 0.539 -0.078 -0.895 RESID 208 (E): 1.953 ----- 1.540 0.939 -1.782 0.389 RESID 209 (L): 2.375 ----- -1.133 0.016 -1.157 0.576 RESID 210 (R): 0.327 ----- -0.786 0.200 0.087 -0.764 RESID 211 (E): -3.033 ----- 1.267 -0.108 -0.978 0.528 RESID 212 (A): 0.814 ----- 1.665 0.104 -0.975 0.538 RESID 213 (L): 1.490 ----- -1.247 -0.445 0.324 0.287 RESID 214 (N): 2.828 ----- 1.858 -0.611 -0.812 0.048 RESID 215 (K): 2.452 ----- -0.118 -0.299 -0.743 -0.351 RESID 216 (A): 0.447 ----- -0.005 -0.737 0.423 -0.394 RESID 217 (F): -0.637 ----- 0.219 1.077 -1.071 0.596 RESID 218 (A): 0.092 ----- 2.424 -0.396 -1.348 -0.199 RESID 219 (E): 0.960 ----- -0.413 -0.274 -1.167 0.106 RESID 220 (M): 2.703 ----- 0.388 -2.108 0.179 0.013 RESID 221 (R): 0.807 ----- 0.418 -0.222 -2.386 0.244 RESID 222 (A): 0.428 ----- 0.383 -0.438 -0.534 0.091 RESID 223 (D): 0.499 ----- 0.642 -0.099 -0.818 0.114 RESID 224 (G): -2.252 ----- 0.009 -1.288 ----- -0.337 RESID 225 (T): 5.286 ----- 0.344 -0.226 -1.924 0.350 RESID 226 (Y): -0.222 ----- -0.915 0.243 0.086 0.387 RESID 227 (E): -0.510 ----- -0.498 -0.548 -0.317 -0.446 RESID 228 (K): -1.270 ----- 0.435 -0.226 -0.900 -0.827 RESID 229 (L): -0.294 ----- 0.497 -0.734 -0.363 -0.025 RESID 230 (A): -0.945 ----- 1.276 -0.636 -0.145 0.554 RESID 231 (K): -1.132 ----- -0.706 -1.520 -0.973 -0.027 RESID 232 (K): 0.539 ----- -2.335 -0.795 -1.490 -0.352 RESID 233 (Y): -3.032 ----- -0.637 -3.076 0.509 -0.981 RESID 234 (F): 3.003 ----- 2.373 -1.823 -1.524 -0.119 RESID 235 (D): 2.253 ----- -0.494 -0.654 0.312 0.259 RESID 236 (F): -6.516 ----- 0.032 -2.329 0.051 -0.655 RESID 237 (D): -2.345 ----- -1.288 0.400 -2.696 0.158 RESID 238 (V): 7.261 ----- -1.494 -3.261 0.657 -1.034 RESID 239 (Y): 5.426 ----- -2.153 1.113 0.130 -0.099 RESID 240 (G): -0.390 ----- -0.256 0.518 ----- -0.509 DATA CS_STAT_INFO N RMS: 2.938 ppm Count: 226 Average Difference: -0.109 +/- 2.943 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.297 ppm Count: 236 Average Difference: -0.102 +/- 1.295 ppm DATA CS_STAT_INFO CA RMS: 1.324 ppm Count: 236 Average Difference: 0.533 +/- 1.214 ppm DATA CS_STAT_INFO CB RMS: 2.448 ppm Count: 215 Average Difference: 0.498 +/- 2.403 ppm DATA CS_STAT_INFO HN RMS: 0.587 ppm Count: 226 Average Difference: -0.118 +/- 0.576 ppm ############################################################################ For conformer 24: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.216 0.084 RESID 5 (I): C 174.300 174.300 174.347 -0.047 RESID 5 (I): CA 57.710 57.710 59.776 -2.067 RESID 5 (I): CB 37.260 37.260 37.758 -0.498 RESID 5 (I): H 7.868 7.868 8.236 -0.368 RESID 6 (P): C 176.100 176.100 176.809 -0.709 RESID 6 (P): CA 62.180 62.180 62.809 -0.628 RESID 6 (P): CB 31.620 31.620 32.345 -0.725 RESID 7 (Q): N 119.200 119.200 119.581 -0.381 RESID 7 (Q): C 175.600 175.600 176.041 -0.441 RESID 7 (Q): CA 57.190 57.190 57.844 -0.654 RESID 7 (Q): CB 28.500 28.500 29.155 -0.655 RESID 7 (Q): H 8.380 8.380 8.681 -0.301 RESID 8 (N): N 116.300 116.300 114.358 1.942 RESID 8 (N): C 173.600 173.600 173.863 -0.263 RESID 8 (N): CA 51.720 51.720 52.376 -0.656 RESID 8 (N): CB 40.540 40.540 41.930 -1.390 RESID 8 (N): H 7.472 7.472 7.825 -0.353 RESID 9 (I): N 121.000 121.000 122.738 -1.738 RESID 9 (I): C 174.700 174.700 174.853 -0.153 RESID 9 (I): CA 59.480 59.480 60.138 -0.658 RESID 9 (I): CB 39.740 39.740 40.149 -0.409 RESID 9 (I): H 8.416 8.416 9.153 -0.737 RESID 10 (R): N 126.500 126.500 127.465 -0.965 RESID 10 (R): C 175.800 175.800 175.030 0.770 RESID 10 (R): CA 53.950 53.950 55.436 -1.486 RESID 10 (R): CB 30.670 30.670 31.340 -0.670 RESID 10 (R): H 9.098 9.098 8.212 0.886 RESID 11 (I): N 127.500 127.500 124.078 3.422 RESID 11 (I): C 175.600 175.600 175.262 0.338 RESID 11 (I): CA 59.480 59.480 59.218 0.262 RESID 11 (I): CB 37.460 37.460 41.639 -4.179 RESID 11 (I): H 9.279 9.279 9.016 0.263 RESID 12 (G): N 114.800 114.800 114.355 0.445 RESID 12 (G): C 171.700 171.700 173.187 -1.487 RESID 12 (G): CA 44.540 44.540 44.308 0.232 RESID 12 (G): H 9.382 9.382 8.517 0.865 RESID 13 (T): N 120.600 120.600 120.782 -0.182 RESID 13 (T): C 181.600 181.600 173.216 8.384 RESID 13 (T): CA 61.470 61.470 61.998 -0.528 RESID 13 (T): CB 69.970 69.970 71.626 -1.656 RESID 13 (T): H 8.594 8.594 7.902 0.692 RESID 14 (D): N 127.000 127.000 127.400 -0.400 RESID 14 (D): C 177.500 177.500 174.796 2.704 RESID 14 (D): CA 49.760 49.760 50.214 -0.454 RESID 14 (D): CB 40.580 40.580 42.226 -1.646 RESID 14 (D): H 8.200 8.200 8.574 -0.374 RESID 15 (P): C 175.400 175.400 176.439 -1.039 RESID 15 (P): CA 61.920 61.920 63.328 -1.408 RESID 15 (P): CB 27.890 27.890 32.388 -4.498 RESID 16 (T): N 116.200 116.200 110.787 5.413 RESID 16 (T): C 174.000 174.000 173.230 0.770 RESID 16 (T): CA 59.560 59.560 62.011 -2.451 RESID 16 (T): CB 68.650 68.650 69.779 -1.129 RESID 16 (T): H 8.739 8.739 8.280 0.459 RESID 17 (Y): N 125.800 125.800 121.911 3.889 RESID 17 (Y): C 175.200 175.200 175.658 -0.458 RESID 17 (Y): CA 54.180 54.180 56.088 -1.908 RESID 17 (Y): CB 38.700 38.700 38.416 0.284 RESID 17 (Y): H 8.943 8.943 8.049 0.894 RESID 18 (A): N 132.100 132.100 129.670 2.430 RESID 18 (A): C 176.000 176.000 176.454 -0.454 RESID 18 (A): CA 51.490 51.490 56.066 -4.577 RESID 18 (A): CB 16.070 16.070 16.252 -0.182 RESID 18 (A): H 8.945 8.945 8.922 0.023 RESID 19 (P): C 173.500 173.500 177.471 -3.971 RESID 19 (P): CA 62.890 62.890 65.116 -2.226 RESID 19 (P): CB 31.790 31.790 31.608 0.182 RESID 20 (F): N 125.100 125.100 117.643 7.457 RESID 20 (F): C 176.700 176.700 174.909 1.791 RESID 20 (F): CA 62.420 62.420 59.721 2.699 RESID 20 (F): CB 37.980 37.980 41.160 -3.180 RESID 20 (F): H 8.117 8.117 8.259 -0.142 RESID 21 (E): N 111.800 111.800 114.512 -2.712 RESID 21 (E): C 173.600 173.600 174.429 -0.829 RESID 21 (E): CA 54.400 54.400 55.212 -0.812 RESID 21 (E): CB 28.770 28.770 34.144 -5.374 RESID 21 (E): H 7.701 7.701 8.480 -0.779 RESID 22 (S): N 117.200 117.200 113.128 4.072 RESID 22 (S): C 171.500 171.500 172.282 -0.782 RESID 22 (S): CA 57.290 57.290 58.559 -1.269 RESID 22 (S): CB 62.940 62.940 64.166 -1.226 RESID 22 (S): H 8.750 8.750 8.311 0.439 RESID 23 (K): N 117.400 117.400 119.280 -1.880 RESID 23 (K): C 177.600 177.600 175.004 2.596 RESID 23 (K): CA 53.700 53.700 55.373 -1.673 RESID 23 (K): CB 33.330 33.330 35.139 -1.810 RESID 23 (K): H 8.238 8.238 8.235 0.003 RESID 24 (N): N 122.400 122.400 120.842 1.558 RESID 24 (N): C 178.000 178.000 176.954 1.046 RESID 24 (N): CA 50.600 50.600 51.923 -1.323 RESID 24 (N): CB 38.140 38.140 40.019 -1.879 RESID 24 (N): H 8.584 8.584 8.537 0.047 RESID 25 (S): C 175.400 175.400 175.432 -0.032 RESID 25 (S): CA 60.970 60.970 60.945 0.025 RESID 25 (S): CB 62.410 62.410 62.586 -0.176 RESID 26 (Q): N 119.300 119.300 119.487 -0.187 RESID 26 (Q): C 176.200 176.200 176.781 -0.581 RESID 26 (Q): CA 55.180 55.180 55.589 -0.409 RESID 26 (Q): CB 28.260 28.260 28.736 -0.476 RESID 26 (Q): H 7.520 7.520 7.882 -0.362 RESID 27 (G): N 108.800 108.800 107.565 1.235 RESID 27 (G): C 173.700 173.700 173.979 -0.279 RESID 27 (G): CA 45.050 45.050 44.980 0.070 RESID 27 (G): H 8.169 8.169 7.810 0.359 RESID 28 (E): N 121.200 121.200 119.578 1.622 RESID 28 (E): C 175.800 175.800 175.548 0.252 RESID 28 (E): CA 54.490 54.490 55.836 -1.346 RESID 28 (E): CB 29.750 29.750 30.721 -0.971 RESID 28 (E): H 7.836 7.836 8.134 -0.298 RESID 29 (L): N 123.500 123.500 121.075 2.425 RESID 29 (L): C 176.400 176.400 175.930 0.470 RESID 29 (L): CA 54.310 54.310 53.885 0.425 RESID 29 (L): CB 41.180 41.180 43.066 -1.886 RESID 29 (L): H 8.281 8.281 8.283 -0.002 RESID 30 (V): N 118.200 118.200 122.574 -4.374 RESID 30 (V): C 175.300 175.300 173.587 1.713 RESID 30 (V): CA 58.360 58.360 60.116 -1.756 RESID 30 (V): CB 36.080 36.080 35.974 0.106 RESID 30 (V): H 8.900 8.900 7.912 0.988 RESID 31 (G): N 109.800 109.800 110.451 -0.651 RESID 31 (G): C 174.400 174.400 173.527 0.873 RESID 31 (G): CA 43.830 43.830 45.216 -1.386 RESID 31 (G): H 8.611 8.611 7.497 1.114 RESID 32 (F): N 119.900 119.900 122.705 -2.805 RESID 32 (F): C 177.900 177.900 175.996 1.904 RESID 32 (F): CA 59.800 59.800 60.071 -0.271 RESID 32 (F): CB 38.950 38.950 39.272 -0.321 RESID 32 (F): H 8.295 8.295 8.201 0.094 RESID 33 (D): N 116.500 116.500 118.933 -2.433 RESID 33 (D): C 179.100 179.100 178.087 1.013 RESID 33 (D): CA 56.180 56.180 56.251 -0.071 RESID 33 (D): CB 38.610 38.610 40.390 -1.780 RESID 33 (D): H 8.935 8.935 7.497 1.438 RESID 34 (I): N 118.800 118.800 119.684 -0.884 RESID 34 (I): C 178.000 178.000 177.931 0.069 RESID 34 (I): CA 60.950 60.950 64.326 -3.376 RESID 34 (I): CB 33.620 33.620 37.897 -4.277 RESID 34 (I): H 6.535 6.535 6.896 -0.361 RESID 35 (D): N 121.000 121.000 120.363 0.637 RESID 35 (D): C 180.300 180.300 178.683 1.617 RESID 35 (D): CA 57.100 57.100 57.401 -0.301 RESID 35 (D): CB 40.420 40.420 40.308 0.112 RESID 35 (D): H 8.536 8.536 7.757 0.779 RESID 36 (L): N 120.500 120.500 120.900 -0.400 RESID 36 (L): C 178.500 178.500 177.982 0.518 RESID 36 (L): CA 57.720 57.720 57.816 -0.096 RESID 36 (L): CB 42.230 42.230 41.569 0.661 RESID 36 (L): H 8.508 8.508 7.215 1.293 RESID 37 (A): N 120.200 120.200 121.841 -1.641 RESID 37 (A): C 178.600 178.600 179.519 -0.919 RESID 37 (A): CA 55.170 55.170 55.323 -0.153 RESID 37 (A): CB 17.340 17.340 18.424 -1.084 RESID 37 (A): H 8.383 8.383 7.625 0.758 RESID 38 (K): N 116.400 116.400 119.242 -2.842 RESID 38 (K): C 180.100 180.100 179.163 0.937 RESID 38 (K): CA 60.530 60.530 60.067 0.463 RESID 38 (K): CB 31.840 31.840 32.328 -0.488 RESID 38 (K): H 8.780 8.780 8.091 0.689 RESID 39 (E): N 121.500 121.500 119.315 2.185 RESID 39 (E): C 178.300 178.300 179.391 -1.091 RESID 39 (E): CA 58.430 58.430 59.327 -0.897 RESID 39 (E): CB 27.990 27.990 29.516 -1.526 RESID 39 (E): H 7.692 7.692 7.785 -0.093 RESID 40 (L): N 121.500 121.500 120.390 1.110 RESID 40 (L): C 178.700 178.700 178.840 -0.140 RESID 40 (L): CA 58.490 58.490 58.261 0.229 RESID 40 (L): CB 40.250 40.250 41.767 -1.518 RESID 40 (L): H 8.563 8.563 7.920 0.643 RESID 41 (C): N 115.700 115.700 118.489 -2.789 RESID 41 (C): C 175.800 175.800 177.478 -1.678 RESID 41 (C): CA 62.390 62.390 62.770 -0.380 RESID 41 (C): CB 46.860 46.860 25.452 21.408 RESID 41 (C): H 8.598 8.598 8.779 -0.181 RESID 42 (K): N 119.300 119.300 119.647 -0.347 RESID 42 (K): C 180.800 180.800 179.107 1.693 RESID 42 (K): CA 58.810 58.810 59.441 -0.631 RESID 42 (K): CB 31.430 31.430 32.360 -0.930 RESID 42 (K): H 7.490 7.490 8.080 -0.590 RESID 43 (R): N 119.500 119.500 117.971 1.529 RESID 43 (R): C 178.700 178.700 178.673 0.027 RESID 43 (R): CA 58.760 58.760 58.461 0.299 RESID 43 (R): CB 29.980 29.980 30.232 -0.252 RESID 43 (R): H 8.057 8.057 7.531 0.526 RESID 44 (I): N 111.800 111.800 117.532 -5.732 RESID 44 (I): C 175.000 175.000 175.852 -0.852 RESID 44 (I): CA 60.940 60.940 63.097 -2.157 RESID 44 (I): CB 36.630 36.630 38.190 -1.560 RESID 44 (I): H 7.765 7.765 8.431 -0.666 RESID 45 (N): N 118.800 118.800 115.754 3.046 RESID 45 (N): C 173.600 173.600 173.943 -0.343 RESID 45 (N): CA 53.670 53.670 54.632 -0.962 RESID 45 (N): CB 36.620 36.620 35.934 0.686 RESID 45 (N): H 7.752 7.752 8.074 -0.322 RESID 46 (T): N 112.800 112.800 105.708 7.092 RESID 46 (T): C 173.100 173.100 172.819 0.281 RESID 46 (T): CA 60.020 60.020 60.288 -0.267 RESID 46 (T): CB 70.500 70.500 71.849 -1.349 RESID 46 (T): H 7.920 7.920 7.919 0.001 RESID 47 (Q): N 123.500 123.500 119.991 3.509 RESID 47 (Q): C 175.400 175.400 174.583 0.817 RESID 47 (Q): CA 54.550 54.550 55.086 -0.536 RESID 47 (Q): CB 28.670 28.670 30.487 -1.817 RESID 47 (Q): H 8.037 8.037 8.337 -0.300 RESID 48 (C): N 123.800 123.800 124.559 -0.759 RESID 48 (C): C 173.800 173.800 174.400 -0.600 RESID 48 (C): CA 53.170 53.170 57.878 -4.708 RESID 48 (C): CB 47.290 47.290 29.195 18.095 RESID 48 (C): H 8.881 8.881 8.693 0.188 RESID 49 (T): N 118.600 118.600 120.665 -2.065 RESID 49 (T): C 172.700 172.700 172.532 0.168 RESID 49 (T): CA 60.210 60.210 61.244 -1.034 RESID 49 (T): CB 70.980 70.980 71.027 -0.047 RESID 49 (T): H 8.324 8.324 8.887 -0.563 RESID 50 (F): N 123.800 123.800 125.941 -2.141 RESID 50 (F): C 175.800 175.800 175.942 -0.142 RESID 50 (F): CA 57.370 57.370 57.321 0.049 RESID 50 (F): CB 40.730 40.730 40.328 0.402 RESID 50 (F): H 8.982 8.982 8.628 0.354 RESID 51 (V): N 126.300 126.300 123.656 2.644 RESID 51 (V): C 174.700 174.700 174.720 -0.020 RESID 51 (V): CA 60.650 60.650 60.664 -0.014 RESID 51 (V): CB 33.700 33.700 35.401 -1.701 RESID 51 (V): H 9.271 9.271 9.126 0.145 RESID 52 (E): N 126.900 126.900 128.936 -2.036 RESID 52 (E): C 176.900 176.900 175.219 1.681 RESID 52 (E): CA 54.480 54.480 57.300 -2.820 RESID 52 (E): CB 29.350 29.350 30.385 -1.035 RESID 52 (E): H 8.617 8.617 8.772 -0.155 RESID 53 (N): N 127.100 127.100 120.599 6.501 RESID 53 (N): C 170.600 170.600 172.416 -1.816 RESID 53 (N): CA 51.220 51.220 51.531 -0.311 RESID 53 (N): CB 43.980 43.980 38.277 5.703 RESID 53 (N): H 8.917 8.917 8.231 0.686 RESID 54 (P): C 178.600 178.600 178.750 -0.150 RESID 54 (P): CA 61.650 61.650 62.343 -0.692 RESID 54 (P): CB 31.460 31.460 32.886 -1.426 RESID 55 (L): N 124.200 124.200 123.892 0.308 RESID 55 (L): C 179.600 179.600 178.726 0.874 RESID 55 (L): CA 58.130 58.130 59.233 -1.103 RESID 55 (L): CB 41.470 41.470 41.361 0.109 RESID 55 (L): H 9.096 9.096 8.778 0.318 RESID 56 (D): N 115.400 115.400 119.061 -3.661 RESID 56 (D): C 176.500 176.500 177.325 -0.825 RESID 56 (D): CA 56.080 56.080 56.869 -0.789 RESID 56 (D): CB 39.640 39.640 40.166 -0.526 RESID 56 (D): H 8.651 8.651 8.535 0.116 RESID 57 (A): N 120.400 120.400 119.908 0.492 RESID 57 (A): C 180.000 180.000 178.950 1.050 RESID 57 (A): CA 51.440 51.440 53.633 -2.193 RESID 57 (A): CB 19.170 19.170 19.639 -0.469 RESID 57 (A): H 8.079 8.079 8.311 -0.232 RESID 58 (L): N 122.300 122.300 121.071 1.229 RESID 58 (L): C 177.800 177.800 178.758 -0.958 RESID 58 (L): CA 58.960 58.960 58.061 0.899 RESID 58 (L): CB 40.150 40.150 41.884 -1.734 RESID 58 (L): H 7.783 7.783 8.088 -0.305 RESID 59 (I): N 119.600 119.600 119.596 0.004 RESID 59 (I): C 176.400 176.400 175.167 1.233 RESID 59 (I): CA 68.170 68.170 66.555 1.615 RESID 59 (I): CB 33.980 33.980 34.671 -0.691 RESID 59 (I): H 9.094 9.094 7.787 1.307 RESID 60 (P): C 180.100 180.100 179.228 0.872 RESID 60 (P): CA 65.890 65.890 66.531 -0.642 RESID 60 (P): CB 29.980 29.980 31.260 -1.280 RESID 61 (S): N 114.800 114.800 114.887 -0.087 RESID 61 (S): C 175.500 175.500 176.700 -1.200 RESID 61 (S): CA 62.170 62.170 61.855 0.315 RESID 61 (S): H 7.865 7.865 8.234 -0.369 RESID 62 (L): N 126.200 126.200 123.069 3.131 RESID 62 (L): C 181.000 181.000 178.960 2.040 RESID 62 (L): CA 57.400 57.400 57.713 -0.313 RESID 62 (L): CB 41.820 41.820 41.774 0.046 RESID 62 (L): H 8.296 8.296 8.227 0.069 RESID 63 (K): N 121.000 121.000 119.045 1.955 RESID 63 (K): C 178.000 178.000 177.946 0.054 RESID 63 (K): CA 59.500 59.500 59.172 0.328 RESID 63 (K): CB 30.770 30.770 32.471 -1.701 RESID 63 (K): H 8.461 8.461 7.770 0.691 RESID 64 (A): N 118.700 118.700 118.688 0.012 RESID 64 (A): C 176.200 176.200 176.680 -0.480 RESID 64 (A): CA 51.680 51.680 51.987 -0.307 RESID 64 (A): CB 18.140 18.140 18.554 -0.414 RESID 64 (A): H 7.686 7.686 7.975 -0.289 RESID 65 (K): N 112.200 112.200 114.003 -1.803 RESID 65 (K): C 176.000 176.000 176.480 -0.480 RESID 65 (K): CA 57.800 57.800 57.990 -0.190 RESID 65 (K): CB 27.730 27.730 29.917 -2.187 RESID 65 (K): H 7.751 7.751 7.668 0.083 RESID 66 (K): N 118.300 118.300 115.411 2.889 RESID 66 (K): C 176.600 176.600 177.119 -0.519 RESID 66 (K): CA 57.200 57.200 58.444 -1.244 RESID 66 (K): CB 32.170 32.170 33.013 -0.843 RESID 66 (K): H 8.415 8.415 7.766 0.649 RESID 67 (I): N 107.500 107.500 112.549 -5.049 RESID 67 (I): C 174.000 174.000 175.375 -1.375 RESID 67 (I): CA 59.050 59.050 59.044 0.006 RESID 67 (I): CB 40.470 40.470 41.029 -0.559 RESID 67 (I): H 7.034 7.034 7.237 -0.203 RESID 68 (D): N 119.000 119.000 122.084 -3.084 RESID 68 (D): C 172.200 172.200 175.777 -3.577 RESID 68 (D): CA 55.560 55.560 55.326 0.234 RESID 68 (D): CB 44.210 44.210 42.598 1.612 RESID 68 (D): H 9.739 9.739 8.395 1.344 RESID 69 (A): N 117.400 117.400 118.236 -0.836 RESID 69 (A): C 175.900 175.900 174.842 1.058 RESID 69 (A): CA 50.120 50.120 51.140 -1.020 RESID 69 (A): CB 21.960 21.960 22.189 -0.229 RESID 69 (A): H 7.660 7.660 7.720 -0.060 RESID 70 (I): N 120.500 120.500 120.915 -0.415 RESID 70 (I): C 174.500 174.500 174.381 0.119 RESID 70 (I): CA 60.060 60.060 60.649 -0.589 RESID 70 (I): CB 41.190 41.190 40.952 0.238 RESID 70 (I): H 9.402 9.402 8.059 1.343 RESID 71 (M): N 128.300 128.300 129.068 -0.768 RESID 71 (M): C 172.500 172.500 173.927 -1.427 RESID 71 (M): CA 53.040 53.040 55.007 -1.967 RESID 71 (M): CB 33.940 33.940 33.913 0.027 RESID 71 (M): H 8.431 8.431 8.237 0.194 RESID 72 (S): N 122.700 122.700 121.560 1.140 RESID 72 (S): C 172.800 172.800 173.888 -1.088 RESID 72 (S): CA 57.630 57.630 56.726 0.904 RESID 72 (S): CB 64.590 64.590 65.212 -0.622 RESID 72 (S): H 8.717 8.717 8.692 0.025 RESID 73 (S): N 120.600 120.600 114.999 5.601 RESID 73 (S): C 174.900 174.900 174.898 0.002 RESID 73 (S): CA 58.590 58.590 59.547 -0.957 RESID 73 (S): CB 62.920 62.920 62.779 0.141 RESID 73 (S): H 8.570 8.570 8.636 -0.066 RESID 74 (L): N 120.700 120.700 124.009 -3.309 RESID 74 (L): C 175.300 175.300 175.970 -0.670 RESID 74 (L): CA 54.320 54.320 55.584 -1.264 RESID 74 (L): CB 42.350 42.350 42.827 -0.477 RESID 74 (L): H 8.678 8.678 7.426 1.252 RESID 75 (S): N 122.000 122.000 119.834 2.166 RESID 75 (S): C 174.500 174.500 173.713 0.787 RESID 75 (S): CA 59.250 59.250 56.996 2.254 RESID 75 (S): CB 63.060 63.060 64.670 -1.610 RESID 75 (S): H 8.142 8.142 7.881 0.261 RESID 76 (I): N 125.200 125.200 115.908 9.292 RESID 76 (I): C 175.500 175.500 174.565 0.935 RESID 76 (I): CA 61.340 61.340 59.612 1.728 RESID 76 (I): CB 35.790 35.790 39.603 -3.813 RESID 76 (I): H 8.307 8.307 8.286 0.021 RESID 77 (T): N 116.600 116.600 113.595 3.005 RESID 77 (T): C 174.800 174.800 175.080 -0.280 RESID 77 (T): CA 57.760 57.760 59.969 -2.209 RESID 77 (T): CB 71.570 71.570 72.310 -0.740 RESID 77 (T): H 6.513 6.513 7.533 -1.020 RESID 78 (E): N 124.500 124.500 124.914 -0.414 RESID 78 (E): C 179.500 179.500 177.892 1.608 RESID 78 (E): CA 59.140 59.140 60.861 -1.721 RESID 78 (E): CB 28.630 28.630 29.268 -0.638 RESID 78 (E): H 8.935 8.935 8.911 0.024 RESID 79 (K): N 118.400 118.400 118.348 0.052 RESID 79 (K): C 180.600 180.600 179.044 1.556 RESID 79 (K): CA 58.890 58.890 59.191 -0.302 RESID 79 (K): CB 31.610 31.610 32.300 -0.690 RESID 79 (K): H 8.415 8.415 8.363 0.052 RESID 80 (R): N 118.500 118.500 118.816 -0.316 RESID 80 (R): C 179.100 179.100 178.965 0.135 RESID 80 (R): CA 59.580 59.580 59.212 0.368 RESID 80 (R): CB 30.380 30.380 30.077 0.303 RESID 80 (R): H 7.678 7.678 7.403 0.275 RESID 81 (Q): N 119.000 119.000 119.840 -0.840 RESID 81 (Q): C 176.600 176.600 178.967 -2.367 RESID 81 (Q): CA 57.510 57.510 59.196 -1.686 RESID 81 (Q): CB 28.880 28.880 28.540 0.340 RESID 81 (Q): H 8.418 8.418 8.338 0.080 RESID 82 (Q): N 115.300 115.300 117.282 -1.982 RESID 82 (Q): C 177.400 177.400 177.509 -0.109 RESID 82 (Q): CA 57.280 57.280 58.343 -1.063 RESID 82 (Q): CB 27.950 27.950 28.492 -0.542 RESID 82 (Q): H 7.297 7.297 7.934 -0.637 RESID 83 (E): N 115.600 115.600 117.065 -1.465 RESID 83 (E): C 176.400 176.400 177.179 -0.779 RESID 83 (E): CA 56.950 56.950 58.156 -1.206 RESID 83 (E): CB 33.090 33.090 31.430 1.660 RESID 83 (E): H 7.627 7.627 7.886 -0.259 RESID 84 (I): N 115.100 115.100 111.810 3.290 RESID 84 (I): C 172.600 172.600 173.912 -1.312 RESID 84 (I): CA 59.380 59.380 58.914 0.466 RESID 84 (I): CB 40.830 40.830 41.510 -0.680 RESID 84 (I): H 8.275 8.275 7.980 0.295 RESID 85 (A): N 120.600 120.600 120.389 0.211 RESID 85 (A): C 175.000 175.000 175.230 -0.230 RESID 85 (A): CA 49.150 49.150 50.255 -1.105 RESID 85 (A): CB 22.280 22.280 21.445 0.835 RESID 85 (A): H 8.679 8.679 8.431 0.248 RESID 86 (F): N 115.500 115.500 118.982 -3.482 RESID 86 (F): C 178.800 178.800 175.858 2.942 RESID 86 (F): CA 55.850 55.850 56.792 -0.942 RESID 86 (F): CB 44.300 44.300 44.045 0.255 RESID 86 (F): H 8.283 8.283 8.609 -0.326 RESID 87 (T): N 108.200 108.200 114.862 -6.662 RESID 87 (T): C 174.700 174.700 173.806 0.894 RESID 87 (T): CA 61.930 61.930 61.091 0.839 RESID 87 (T): CB 72.740 72.740 70.111 2.629 RESID 87 (T): H 7.898 7.898 8.340 -0.442 RESID 88 (D): N 118.400 118.400 120.037 -1.637 RESID 88 (D): C 174.300 174.300 174.964 -0.664 RESID 88 (D): CA 55.030 55.030 55.778 -0.748 RESID 88 (D): CB 40.870 40.870 39.775 1.095 RESID 88 (D): H 8.789 8.789 8.766 0.023 RESID 89 (K): N 118.100 118.100 116.180 1.920 RESID 89 (K): C 176.200 176.200 177.008 -0.808 RESID 89 (K): CA 55.570 55.570 57.208 -1.638 RESID 89 (K): CB 31.850 31.850 31.646 0.204 RESID 89 (K): H 7.666 7.666 7.623 0.043 RESID 90 (L): N 123.400 123.400 125.916 -2.516 RESID 90 (L): C 178.000 178.000 177.836 0.164 RESID 90 (L): CA 54.450 54.450 57.117 -2.667 RESID 90 (L): CB 41.710 41.710 43.042 -1.332 RESID 90 (L): H 8.778 8.778 8.569 0.209 RESID 91 (Y): N 110.500 110.500 110.016 0.484 RESID 91 (Y): C 172.600 172.600 173.636 -1.036 RESID 91 (Y): CA 56.070 56.070 55.681 0.389 RESID 91 (Y): CB 37.670 37.670 40.527 -2.857 RESID 91 (Y): H 6.810 6.810 7.240 -0.430 RESID 92 (A): N 123.100 123.100 122.396 0.704 RESID 92 (A): C 175.600 175.600 176.684 -1.084 RESID 92 (A): CA 51.940 51.940 51.050 0.890 RESID 92 (A): CB 20.320 20.320 19.584 0.736 RESID 92 (A): H 8.135 8.135 9.082 -0.947 RESID 93 (A): N 127.000 127.000 127.745 -0.745 RESID 93 (A): C 175.700 175.700 176.628 -0.928 RESID 93 (A): CA 51.020 51.020 50.611 0.409 RESID 93 (A): CB 18.310 18.310 18.332 -0.022 RESID 93 (A): H 8.658 8.658 8.269 0.389 RESID 94 (D): N 122.900 122.900 121.625 1.275 RESID 94 (D): C 175.300 175.300 176.111 -0.811 RESID 94 (D): CA 53.910 53.910 55.117 -1.207 RESID 94 (D): CB 42.030 42.030 42.267 -0.237 RESID 94 (D): H 8.497 8.497 7.734 0.763 RESID 95 (S): N 110.300 110.300 112.206 -1.906 RESID 95 (S): C 171.600 171.600 173.065 -1.465 RESID 95 (S): CA 57.850 57.850 57.418 0.432 RESID 95 (S): CB 66.410 66.410 66.497 -0.087 RESID 95 (S): H 6.844 6.844 7.884 -1.040 RESID 96 (R): N 124.300 124.300 119.774 4.526 RESID 96 (R): C 173.700 173.700 173.871 -0.171 RESID 96 (R): CA 57.450 57.450 55.885 1.565 RESID 96 (R): CB 34.070 34.070 34.358 -0.288 RESID 96 (R): H 9.227 9.227 8.831 0.396 RESID 97 (L): N 124.100 124.100 125.092 -0.992 RESID 97 (L): C 177.600 177.600 175.919 1.681 RESID 97 (L): CA 54.150 54.150 53.796 0.354 RESID 97 (L): CB 42.640 42.640 44.399 -1.759 RESID 97 (L): H 9.343 9.343 8.046 1.297 RESID 98 (V): N 124.500 124.500 123.227 1.273 RESID 98 (V): C 175.700 175.700 175.042 0.658 RESID 98 (V): CA 61.770 61.770 60.884 0.886 RESID 98 (V): CB 32.950 32.950 32.326 0.624 RESID 98 (V): H 9.500 9.500 8.000 1.500 RESID 99 (V): N 116.800 116.800 120.671 -3.871 RESID 99 (V): C 174.600 174.600 173.946 0.654 RESID 99 (V): CA 58.190 58.190 58.822 -0.632 RESID 99 (V): CB 36.780 36.780 35.763 1.017 RESID 99 (V): H 9.192 9.192 8.140 1.052 RESID 100 (A): N 123.400 123.400 122.460 0.940 RESID 100 (A): C 179.200 179.200 178.370 0.830 RESID 100 (A): CA 52.690 52.690 50.648 2.042 RESID 100 (A): CB 18.160 18.160 20.130 -1.970 RESID 100 (A): H 9.043 9.043 8.424 0.619 RESID 101 (K): N 119.600 119.600 123.682 -4.082 RESID 101 (K): C 176.800 176.800 177.033 -0.233 RESID 101 (K): CA 59.360 59.360 58.980 0.380 RESID 101 (K): CB 31.380 31.380 31.859 -0.479 RESID 101 (K): H 7.840 7.840 8.916 -1.076 RESID 102 (N): N 114.400 114.400 115.443 -1.043 RESID 102 (N): C 175.500 175.500 175.254 0.246 RESID 102 (N): CA 52.330 52.330 54.716 -2.386 RESID 102 (N): CB 36.990 36.990 38.677 -1.687 RESID 102 (N): H 7.941 7.941 8.170 -0.229 RESID 103 (S): N 114.800 114.800 114.534 0.266 RESID 103 (S): C 176.000 176.000 173.248 2.752 RESID 103 (S): CA 58.180 58.180 57.513 0.667 RESID 103 (S): CB 64.310 64.310 63.929 0.381 RESID 103 (S): H 7.700 7.700 7.629 0.071 RESID 104 (D): N 128.500 128.500 129.325 -0.825 RESID 104 (D): C 176.700 176.700 174.988 1.712 RESID 104 (D): CA 52.990 52.990 53.965 -0.975 RESID 104 (D): CB 40.330 40.330 40.927 -0.597 RESID 104 (D): H 8.548 8.548 8.547 0.001 RESID 105 (I): N 122.800 122.800 124.017 -1.217 RESID 105 (I): C 173.800 173.800 174.498 -0.698 RESID 105 (I): CA 63.580 63.580 60.388 3.192 RESID 105 (I): CB 37.490 37.490 40.450 -2.960 RESID 105 (I): H 7.826 7.826 8.160 -0.334 RESID 106 (Q): N 124.600 124.600 125.206 -0.606 RESID 106 (Q): C 174.700 174.700 174.012 0.688 RESID 106 (Q): CA 51.380 51.380 52.028 -0.647 RESID 106 (Q): CB 31.050 31.050 29.031 2.019 RESID 106 (Q): H 8.174 8.174 8.379 -0.205 RESID 107 (P): C 175.300 175.300 175.777 -0.477 RESID 107 (P): CA 61.880 61.880 63.670 -1.790 RESID 107 (P): CB 26.860 26.860 30.775 -3.915 RESID 108 (T): N 114.600 114.600 117.689 -3.089 RESID 108 (T): C 174.000 174.000 174.379 -0.379 RESID 108 (T): CA 57.690 57.690 61.585 -3.895 RESID 108 (T): CB 71.020 71.020 72.094 -1.074 RESID 108 (T): H 8.531 8.531 7.727 0.804 RESID 109 (V): N 121.800 121.800 123.549 -1.749 RESID 109 (V): C 177.300 177.300 176.936 0.364 RESID 109 (V): CA 65.600 65.600 64.778 0.822 RESID 109 (V): CB 30.580 30.580 32.770 -2.190 RESID 109 (V): H 8.775 8.775 8.489 0.286 RESID 110 (E): N 116.900 116.900 120.822 -3.922 RESID 110 (E): C 178.400 178.400 178.657 -0.257 RESID 110 (E): CA 59.260 59.260 60.147 -0.887 RESID 110 (E): CB 28.170 28.170 29.048 -0.878 RESID 110 (E): H 8.414 8.414 8.386 0.028 RESID 111 (S): N 113.200 113.200 113.419 -0.219 RESID 111 (S): C 176.500 176.500 175.922 0.578 RESID 111 (S): CA 59.370 59.370 60.975 -1.605 RESID 111 (S): CB 63.730 63.730 62.517 1.213 RESID 111 (S): H 7.387 7.387 8.433 -1.046 RESID 112 (L): N 116.100 116.100 120.443 -4.343 RESID 112 (L): C 176.700 176.700 176.711 -0.011 RESID 112 (L): CA 54.580 54.580 55.431 -0.851 RESID 112 (L): CB 42.650 42.650 42.550 0.100 RESID 112 (L): H 7.676 7.676 7.327 0.349 RESID 113 (K): N 121.000 121.000 119.150 1.850 RESID 113 (K): C 178.200 178.200 177.495 0.705 RESID 113 (K): CA 58.850 58.850 58.222 0.628 RESID 113 (K): CB 30.850 30.850 32.258 -1.408 RESID 113 (K): H 7.445 7.445 7.715 -0.270 RESID 114 (G): N 113.900 113.900 112.957 0.943 RESID 114 (G): C 174.200 174.200 174.797 -0.597 RESID 114 (G): CA 45.240 45.240 45.340 -0.099 RESID 114 (G): H 8.454 8.454 8.356 0.098 RESID 115 (K): N 120.600 120.600 121.771 -1.171 RESID 115 (K): C 174.800 174.800 176.122 -1.322 RESID 115 (K): CA 53.710 53.710 54.772 -1.062 RESID 115 (K): CB 31.990 31.990 33.279 -1.289 RESID 115 (K): H 8.530 8.530 7.870 0.660 RESID 116 (R): N 119.300 119.300 120.806 -1.506 RESID 116 (R): C 176.000 176.000 175.691 0.309 RESID 116 (R): CA 54.720 54.720 55.712 -0.992 RESID 116 (R): CB 32.310 32.310 31.735 0.575 RESID 116 (R): H 9.455 9.455 8.407 1.048 RESID 117 (V): N 126.100 126.100 123.056 3.044 RESID 117 (V): C 175.300 175.300 174.715 0.585 RESID 117 (V): CA 60.090 60.090 60.181 -0.091 RESID 117 (V): CB 33.620 33.620 35.966 -2.346 RESID 117 (V): H 9.217 9.217 8.611 0.606 RESID 118 (G): N 114.000 114.000 113.336 0.664 RESID 118 (G): C 172.300 172.300 172.584 -0.284 RESID 118 (G): CA 45.010 45.010 43.547 1.463 RESID 118 (G): H 9.367 9.367 8.031 1.336 RESID 119 (V): N 116.400 116.400 122.347 -5.947 RESID 119 (V): C 174.100 174.100 174.029 0.071 RESID 119 (V): CA 58.270 58.270 60.446 -2.176 RESID 119 (V): CB 36.370 36.370 36.993 -0.624 RESID 119 (V): H 9.166 9.166 9.302 -0.136 RESID 120 (L): N 124.400 124.400 124.138 0.262 RESID 120 (L): C 176.900 176.900 175.664 1.236 RESID 120 (L): CA 53.690 53.690 53.959 -0.269 RESID 120 (L): CB 41.240 41.240 42.662 -1.422 RESID 120 (L): H 8.961 8.961 8.823 0.138 RESID 121 (Q): N 128.000 128.000 127.170 0.830 RESID 121 (Q): C 176.900 176.900 177.244 -0.344 RESID 121 (Q): CA 56.680 56.680 57.086 -0.406 RESID 121 (Q): CB 27.920 27.920 29.524 -1.605 RESID 121 (Q): H 9.305 9.305 8.992 0.313 RESID 122 (G): N 113.600 113.600 113.616 -0.016 RESID 122 (G): C 175.100 175.100 173.555 1.545 RESID 122 (G): CA 45.240 45.240 45.470 -0.230 RESID 122 (G): H 9.383 9.383 8.766 0.617 RESID 123 (T): N 108.400 108.400 110.084 -1.684 RESID 123 (T): C 176.800 176.800 174.409 2.391 RESID 123 (T): CA 60.260 60.260 59.995 0.265 RESID 123 (T): CB 73.530 73.530 70.647 2.883 RESID 123 (T): H 7.220 7.220 7.736 -0.516 RESID 124 (T): N 113.900 113.900 112.520 1.380 RESID 124 (T): C 178.100 178.100 176.527 1.573 RESID 124 (T): CA 63.990 63.990 64.678 -0.688 RESID 124 (T): CB 67.740 67.740 68.713 -0.973 RESID 124 (T): H 8.934 8.934 8.666 0.268 RESID 125 (Q): N 120.600 120.600 122.411 -1.811 RESID 125 (Q): C 178.300 178.300 178.086 0.214 RESID 125 (Q): CA 61.670 61.670 59.761 1.909 RESID 125 (Q): CB 25.310 25.310 28.046 -2.736 RESID 125 (Q): H 7.521 7.521 8.271 -0.750 RESID 126 (E): N 121.900 121.900 119.775 2.125 RESID 126 (E): C 177.600 177.600 178.895 -1.295 RESID 126 (E): CA 59.630 59.630 59.833 -0.203 RESID 126 (E): CB 28.730 28.730 29.636 -0.905 RESID 126 (E): H 7.717 7.717 7.810 -0.093 RESID 127 (T): N 117.800 117.800 116.200 1.600 RESID 127 (T): C 176.200 176.200 176.361 -0.161 RESID 127 (T): CA 66.340 66.340 66.803 -0.463 RESID 127 (T): CB 67.590 67.590 68.722 -1.132 RESID 127 (T): H 8.175 8.175 7.617 0.558 RESID 128 (F): N 121.900 121.900 121.953 -0.053 RESID 128 (F): C 178.000 178.000 177.529 0.471 RESID 128 (F): CA 61.590 61.590 60.714 0.876 RESID 128 (F): CB 38.810 38.810 38.931 -0.121 RESID 128 (F): H 8.882 8.882 8.593 0.289 RESID 129 (G): N 107.000 107.000 107.129 -0.129 RESID 129 (G): C 176.100 176.100 176.485 -0.385 RESID 129 (G): CA 46.690 46.690 47.211 -0.521 RESID 129 (G): H 8.900 8.900 9.162 -0.262 RESID 130 (N): N 123.000 123.000 118.438 4.562 RESID 130 (N): C 176.200 176.200 175.832 0.368 RESID 130 (N): CA 55.400 55.400 55.339 0.061 RESID 130 (N): CB 37.570 37.570 38.195 -0.625 RESID 130 (N): H 8.915 8.915 8.557 0.358 RESID 131 (E): N 119.000 119.000 116.720 2.280 RESID 131 (E): C 177.900 177.900 177.099 0.801 RESID 131 (E): CA 57.940 57.940 56.706 1.234 RESID 131 (E): CB 29.350 29.350 30.764 -1.414 RESID 131 (E): H 7.907 7.907 7.485 0.422 RESID 132 (H): N 112.600 112.600 118.634 -6.034 RESID 132 (H): C 175.900 175.900 175.550 0.350 RESID 132 (H): CA 56.910 56.910 58.797 -1.887 RESID 132 (H): CB 30.510 30.510 29.799 0.711 RESID 132 (H): H 7.877 7.877 7.882 -0.005 RESID 133 (W): N 119.300 119.300 117.435 1.865 RESID 133 (W): C 176.800 176.800 176.191 0.609 RESID 133 (W): CA 55.570 55.570 56.550 -0.980 RESID 133 (W): CB 30.400 30.400 29.729 0.671 RESID 133 (W): H 7.653 7.653 7.479 0.174 RESID 134 (A): N 125.400 125.400 124.646 0.754 RESID 134 (A): C 177.700 177.700 177.219 0.481 RESID 134 (A): CA 55.410 55.410 54.642 0.768 RESID 134 (A): CB 15.990 15.990 16.802 -0.812 RESID 134 (A): H 8.711 8.711 7.532 1.179 RESID 135 (P): C 177.200 177.200 177.233 -0.033 RESID 135 (P): CA 64.510 64.510 64.565 -0.055 RESID 135 (P): CB 30.800 30.800 30.984 -0.184 RESID 136 (K): N 115.800 115.800 116.459 -0.659 RESID 136 (K): C 176.500 176.500 177.535 -1.035 RESID 136 (K): CA 53.530 53.530 55.879 -2.349 RESID 136 (K): CB 31.430 31.430 31.876 -0.446 RESID 136 (K): H 7.665 7.665 8.102 -0.437 RESID 137 (G): N 106.100 106.100 108.349 -2.249 RESID 137 (G): C 174.300 174.300 173.528 0.772 RESID 137 (G): CA 45.740 45.740 45.374 0.366 RESID 137 (G): H 7.864 7.864 7.667 0.197 RESID 138 (I): N 124.400 124.400 119.373 5.027 RESID 138 (I): C 174.400 174.400 174.800 -0.400 RESID 138 (I): CA 60.460 60.460 60.120 0.340 RESID 138 (I): CB 38.080 38.080 39.836 -1.756 RESID 138 (I): H 6.889 6.889 7.483 -0.594 RESID 139 (E): N 128.400 128.400 127.290 1.110 RESID 139 (E): C 173.900 173.900 175.097 -1.197 RESID 139 (E): CA 56.050 56.050 55.608 0.442 RESID 139 (E): CB 29.490 29.490 31.211 -1.721 RESID 139 (E): H 8.230 8.230 8.336 -0.106 RESID 140 (I): N 129.500 129.500 121.682 7.818 RESID 140 (I): C 176.100 176.100 174.770 1.330 RESID 140 (I): CA 57.100 57.100 59.024 -1.924 RESID 140 (I): CB 34.440 34.440 40.582 -6.142 RESID 140 (I): H 8.642 8.642 8.357 0.285 RESID 141 (V): N 133.000 133.000 125.264 7.736 RESID 141 (V): C 174.400 174.400 174.497 -0.097 RESID 141 (V): CA 61.060 61.060 61.152 -0.092 RESID 141 (V): CB 32.410 32.410 36.191 -3.781 RESID 141 (V): H 9.387 9.387 8.944 0.443 RESID 142 (S): N 122.900 122.900 120.089 2.811 RESID 142 (S): C 175.000 175.000 173.522 1.478 RESID 142 (S): CA 57.710 57.710 57.331 0.379 RESID 142 (S): CB 63.710 63.710 63.750 -0.040 RESID 142 (S): H 8.490 8.490 8.387 0.103 RESID 143 (Y): N 123.400 123.400 126.059 -2.659 RESID 143 (Y): C 175.900 175.900 176.377 -0.477 RESID 143 (Y): CA 57.300 57.300 57.700 -0.400 RESID 143 (Y): CB 42.300 42.300 41.331 0.969 RESID 143 (Y): H 8.979 8.979 9.259 -0.280 RESID 144 (Q): N 119.500 119.500 120.065 -0.565 RESID 144 (Q): C 176.000 176.000 174.905 1.095 RESID 144 (Q): CA 56.490 56.490 55.907 0.583 RESID 144 (Q): CB 28.470 28.470 29.857 -1.387 RESID 144 (Q): H 8.974 8.974 8.743 0.231 RESID 145 (G): N 106.800 106.800 107.342 -0.542 RESID 145 (G): C 173.500 173.500 174.163 -0.663 RESID 145 (G): CA 44.300 44.300 44.321 -0.021 RESID 145 (G): H 7.531 7.531 7.861 -0.330 RESID 146 (Q): N 124.300 124.300 122.914 1.386 RESID 146 (Q): C 177.200 177.200 177.347 -0.147 RESID 146 (Q): CA 57.800 57.800 58.808 -1.008 RESID 146 (Q): CB 28.190 28.190 28.626 -0.436 RESID 146 (Q): H 8.949 8.949 8.863 0.086 RESID 147 (D): N 117.900 117.900 118.436 -0.536 RESID 147 (D): C 178.900 178.900 178.482 0.418 RESID 147 (D): CA 56.650 56.650 56.883 -0.233 RESID 147 (D): CB 38.890 38.890 39.736 -0.846 RESID 147 (D): H 8.746 8.746 8.787 -0.041 RESID 148 (N): N 117.500 117.500 117.746 -0.246 RESID 148 (N): C 176.700 176.700 177.330 -0.630 RESID 148 (N): CA 55.160 55.160 55.614 -0.454 RESID 148 (N): CB 38.700 38.700 38.097 0.603 RESID 148 (N): H 7.496 7.496 8.564 -1.068 RESID 149 (I): N 120.000 120.000 119.913 0.087 RESID 149 (I): C 177.400 177.400 177.518 -0.118 RESID 149 (I): CA 64.450 64.450 65.052 -0.602 RESID 149 (I): CB 35.900 35.900 37.581 -1.681 RESID 149 (I): H 6.793 6.793 7.088 -0.295 RESID 150 (Y): N 117.400 117.400 118.242 -0.842 RESID 150 (Y): C 178.800 178.800 178.074 0.726 RESID 150 (Y): CA 59.730 59.730 61.693 -1.963 RESID 150 (Y): CB 35.970 35.970 37.650 -1.680 RESID 150 (Y): H 6.897 6.897 7.393 -0.496 RESID 151 (S): N 117.000 117.000 114.881 2.119 RESID 151 (S): C 177.000 177.000 177.018 -0.018 RESID 151 (S): CA 61.300 61.300 61.691 -0.391 RESID 151 (S): CB 62.100 62.100 62.215 -0.116 RESID 151 (S): H 8.186 8.186 8.237 -0.051 RESID 152 (D): N 122.300 122.300 123.262 -0.962 RESID 152 (D): C 179.000 179.000 178.362 0.638 RESID 152 (D): CA 56.580 56.580 56.882 -0.302 RESID 152 (D): CB 38.240 38.240 40.371 -2.131 RESID 152 (D): H 7.541 7.541 7.715 -0.174 RESID 153 (L): N 124.100 124.100 121.152 2.948 RESID 153 (L): C 180.300 180.300 178.569 1.731 RESID 153 (L): CA 58.160 58.160 57.555 0.605 RESID 153 (L): CB 41.630 41.630 41.822 -0.192 RESID 153 (L): H 8.372 8.372 7.877 0.495 RESID 154 (T): N 111.900 111.900 113.500 -1.600 RESID 154 (T): C 176.700 176.700 175.363 1.337 RESID 154 (T): CA 63.920 63.920 65.425 -1.505 RESID 154 (T): CB 68.700 68.700 69.010 -0.310 RESID 154 (T): H 8.389 8.389 8.318 0.071 RESID 155 (A): N 121.800 121.800 120.091 1.709 RESID 155 (A): C 178.200 178.200 178.039 0.161 RESID 155 (A): CA 51.640 51.640 52.317 -0.677 RESID 155 (A): CB 18.990 18.990 19.392 -0.402 RESID 155 (A): H 7.444 7.444 7.070 0.374 RESID 156 (G): N 107.800 107.800 107.055 0.745 RESID 156 (G): C 175.100 175.100 175.353 -0.253 RESID 156 (G): CA 45.420 45.420 45.158 0.262 RESID 156 (G): H 7.921 7.921 8.050 -0.129 RESID 157 (R): N 119.000 119.000 119.230 -0.230 RESID 157 (R): C 176.600 176.600 175.735 0.865 RESID 157 (R): CA 57.260 57.260 57.639 -0.380 RESID 157 (R): CB 30.400 30.400 30.771 -0.371 RESID 157 (R): H 8.443 8.443 8.142 0.301 RESID 158 (I): N 108.900 108.900 112.767 -3.867 RESID 158 (I): C 173.700 173.700 174.277 -0.577 RESID 158 (I): CA 59.900 59.900 59.203 0.697 RESID 158 (I): CB 40.070 40.070 41.109 -1.039 RESID 158 (I): H 7.109 7.109 7.118 -0.009 RESID 159 (D): N 119.100 119.100 123.708 -4.608 RESID 159 (D): C 174.700 174.700 175.649 -0.949 RESID 159 (D): CA 55.900 55.900 56.291 -0.390 RESID 159 (D): CB 43.630 43.630 41.707 1.923 RESID 159 (D): H 8.737 8.737 8.481 0.256 RESID 160 (A): N 116.400 116.400 116.439 -0.039 RESID 160 (A): C 174.900 174.900 174.315 0.585 RESID 160 (A): CA 50.190 50.190 51.497 -1.307 RESID 160 (A): CB 23.030 23.030 21.323 1.708 RESID 160 (A): H 7.702 7.702 7.167 0.535 RESID 161 (A): N 123.400 123.400 121.780 1.620 RESID 161 (A): C 175.500 175.500 175.688 -0.188 RESID 161 (A): CA 49.730 49.730 50.292 -0.562 RESID 161 (A): CB 21.110 21.110 21.599 -0.489 RESID 161 (A): H 8.915 8.915 7.997 0.918 RESID 162 (F): N 125.100 125.100 122.628 2.472 RESID 162 (F): C 172.900 172.900 175.005 -2.105 RESID 162 (F): CA 54.500 54.500 58.253 -3.753 RESID 162 (F): CB 39.400 39.400 38.799 0.601 RESID 162 (F): H 8.971 8.971 8.435 0.536 RESID 163 (Q): N 124.600 124.600 123.371 1.229 RESID 163 (Q): C 173.400 173.400 173.711 -0.311 RESID 163 (Q): CA 53.550 53.550 53.632 -0.082 RESID 163 (Q): CB 34.390 34.390 33.147 1.243 RESID 163 (Q): H 7.904 7.904 8.321 -0.417 RESID 164 (D): N 122.300 122.300 121.204 1.096 RESID 164 (D): C 175.800 175.800 177.254 -1.454 RESID 164 (D): CA 55.540 55.540 54.506 1.034 RESID 164 (D): CB 42.370 42.370 42.067 0.303 RESID 164 (D): H 8.304 8.304 8.451 -0.147 RESID 165 (E): N 128.600 128.600 122.918 5.682 RESID 165 (E): C 177.700 177.700 178.129 -0.429 RESID 165 (E): CA 60.230 60.230 60.144 0.086 RESID 165 (E): CB 30.020 30.020 29.839 0.181 RESID 165 (E): H 8.605 8.605 8.781 -0.176 RESID 166 (V): N 120.100 120.100 118.874 1.226 RESID 166 (V): C 178.300 178.300 177.304 0.996 RESID 166 (V): CA 66.800 66.800 66.724 0.076 RESID 166 (V): CB 30.070 30.070 30.299 -0.229 RESID 166 (V): H 8.748 8.748 8.225 0.523 RESID 167 (A): N 123.200 123.200 120.071 3.129 RESID 167 (A): C 182.500 182.500 179.099 3.401 RESID 167 (A): CA 54.980 54.980 54.715 0.265 RESID 167 (A): CB 17.910 17.910 18.053 -0.143 RESID 167 (A): H 8.655 8.655 7.960 0.695 RESID 168 (A): N 121.300 121.300 122.169 -0.869 RESID 168 (A): C 179.800 179.800 179.723 0.077 RESID 168 (A): CA 54.180 54.180 54.553 -0.373 RESID 168 (A): CB 18.750 18.750 18.435 0.315 RESID 168 (A): H 8.349 8.349 7.895 0.454 RESID 169 (S): N 113.400 113.400 114.422 -1.022 RESID 169 (S): C 175.700 175.700 176.187 -0.487 RESID 169 (S): CA 61.050 61.050 62.541 -1.491 RESID 169 (S): CB 63.050 63.050 62.654 0.396 RESID 169 (S): H 8.058 8.058 8.142 -0.084 RESID 170 (E): N 115.600 115.600 120.374 -4.774 RESID 170 (E): C 178.800 178.800 177.386 1.414 RESID 170 (E): CA 57.610 57.610 58.105 -0.494 RESID 170 (E): CB 29.790 29.790 29.065 0.725 RESID 170 (E): H 8.824 8.824 7.829 0.995 RESID 171 (G): N 103.400 103.400 104.859 -1.459 RESID 171 (G): C 173.700 173.700 175.011 -1.311 RESID 171 (G): CA 44.970 44.970 45.261 -0.291 RESID 171 (G): H 8.154 8.154 7.339 0.815 RESID 172 (F): N 120.100 120.100 122.509 -2.409 RESID 172 (F): C 175.200 175.200 177.700 -2.500 RESID 172 (F): CA 60.690 60.690 61.161 -0.471 RESID 172 (F): CB 40.740 40.740 39.093 1.647 RESID 172 (F): H 7.297 7.297 8.327 -1.030 RESID 173 (L): N 117.800 117.800 117.770 0.030 RESID 173 (L): C 179.000 179.000 178.296 0.704 RESID 173 (L): CA 57.670 57.670 56.891 0.779 RESID 173 (L): CB 40.020 40.020 41.828 -1.808 RESID 173 (L): H 8.470 8.470 7.533 0.937 RESID 174 (K): N 114.600 114.600 116.423 -1.823 RESID 174 (K): C 176.900 176.900 176.352 0.548 RESID 174 (K): CA 56.450 56.450 57.243 -0.793 RESID 174 (K): CB 31.770 31.770 32.657 -0.887 RESID 174 (K): H 8.018 8.018 7.565 0.453 RESID 175 (Q): N 118.800 118.800 117.163 1.637 RESID 175 (Q): C 176.000 176.000 173.953 2.047 RESID 175 (Q): CA 52.510 52.510 52.237 0.273 RESID 175 (Q): CB 26.740 26.740 29.836 -3.096 RESID 175 (Q): H 7.151 7.151 7.293 -0.142 RESID 176 (P): C 179.300 179.300 177.354 1.946 RESID 176 (P): CA 66.100 66.100 65.448 0.652 RESID 176 (P): CB 30.720 30.720 31.546 -0.826 RESID 177 (V): N 112.300 112.300 117.171 -4.871 RESID 177 (V): C 175.900 175.900 177.927 -2.027 RESID 177 (V): CA 62.860 62.860 65.977 -3.116 RESID 177 (V): CB 30.660 30.660 30.605 0.056 RESID 177 (V): H 7.480 7.480 7.706 -0.226 RESID 178 (G): N 109.700 109.700 105.749 3.951 RESID 178 (G): C 175.000 175.000 174.792 0.208 RESID 178 (G): CA 44.080 44.080 46.210 -2.130 RESID 178 (G): H 7.173 7.173 7.908 -0.735 RESID 179 (K): N 120.900 120.900 119.096 1.804 RESID 179 (K): C 177.100 177.100 177.662 -0.562 RESID 179 (K): CA 58.360 58.360 58.450 -0.090 RESID 179 (K): CB 31.260 31.260 32.291 -1.031 RESID 179 (K): H 6.972 6.972 7.339 -0.367 RESID 180 (D): N 117.200 117.200 117.242 -0.042 RESID 180 (D): C 173.900 173.900 175.852 -1.952 RESID 180 (D): CA 53.920 53.920 55.875 -1.955 RESID 180 (D): CB 39.690 39.690 41.321 -1.631 RESID 180 (D): H 8.036 8.036 7.449 0.587 RESID 181 (Y): N 120.500 120.500 114.981 5.519 RESID 181 (Y): C 172.300 172.300 173.480 -1.180 RESID 181 (Y): CA 57.890 57.890 57.700 0.190 RESID 181 (Y): CB 41.860 41.860 42.309 -0.449 RESID 181 (Y): H 7.768 7.768 7.418 0.350 RESID 182 (K): N 116.900 116.900 118.727 -1.827 RESID 182 (K): C 174.900 174.900 174.277 0.623 RESID 182 (K): CA 54.330 54.330 56.441 -2.111 RESID 182 (K): CB 35.610 35.610 33.348 2.262 RESID 182 (K): H 9.497 9.497 8.832 0.665 RESID 183 (F): N 117.900 117.900 121.104 -3.204 RESID 183 (F): C 177.800 177.800 175.130 2.670 RESID 183 (F): CA 56.780 56.780 57.902 -1.122 RESID 183 (F): CB 38.320 38.320 42.975 -4.655 RESID 183 (F): H 8.470 8.470 8.127 0.343 RESID 184 (G): N 113.700 113.700 109.009 4.691 RESID 184 (G): C 173.300 173.300 174.869 -1.569 RESID 184 (G): CA 46.900 46.900 44.916 1.984 RESID 184 (G): H 9.107 9.107 8.818 0.289 RESID 185 (G): N 111.000 111.000 108.811 2.189 RESID 185 (G): C 171.100 171.100 172.855 -1.755 RESID 185 (G): CA 44.530 44.530 45.445 -0.915 RESID 185 (G): H 7.702 7.702 8.253 -0.551 RESID 186 (P): C 175.500 175.500 176.197 -0.697 RESID 186 (P): CA 61.920 61.920 64.439 -2.518 RESID 186 (P): CB 32.640 32.640 31.864 0.775 RESID 187 (S): N 113.500 113.500 120.071 -6.571 RESID 187 (S): C 173.500 173.500 173.844 -0.344 RESID 187 (S): CA 57.930 57.930 57.464 0.466 RESID 187 (S): CB 63.260 63.260 65.676 -2.416 RESID 187 (S): H 8.452 8.452 8.316 0.136 RESID 188 (V): N 123.300 123.300 121.771 1.529 RESID 188 (V): C 173.900 173.900 173.621 0.279 RESID 188 (V): CA 61.800 61.800 62.282 -0.482 RESID 188 (V): CB 32.680 32.680 34.703 -2.023 RESID 188 (V): H 9.080 9.080 7.847 1.233 RESID 189 (K): N 125.200 125.200 122.429 2.771 RESID 189 (K): C 176.700 176.700 174.079 2.621 RESID 189 (K): CA 54.680 54.680 56.181 -1.501 RESID 189 (K): CB 33.780 33.780 34.718 -0.938 RESID 189 (K): H 8.123 8.123 8.137 -0.014 RESID 190 (D): N 120.300 120.300 122.093 -1.793 RESID 190 (D): C 175.300 175.300 176.885 -1.585 RESID 190 (D): CA 55.610 55.610 53.467 2.143 RESID 190 (D): CB 42.620 42.620 40.437 2.183 RESID 190 (D): H 8.823 8.823 8.285 0.538 RESID 191 (E): N 129.100 129.100 126.576 2.524 RESID 191 (E): C 177.300 177.300 177.543 -0.243 RESID 191 (E): CA 59.310 59.310 58.435 0.875 RESID 191 (E): CB 28.420 28.420 29.517 -1.097 RESID 191 (E): H 9.239 9.239 8.843 0.396 RESID 192 (K): N 118.000 118.000 119.256 -1.256 RESID 192 (K): C 178.200 178.200 178.049 0.151 RESID 192 (K): CA 58.140 58.140 58.916 -0.776 RESID 192 (K): CB 31.690 31.690 32.145 -0.455 RESID 192 (K): H 7.918 7.918 8.768 -0.850 RESID 193 (L): N 118.200 118.200 117.987 0.213 RESID 193 (L): C 177.700 177.700 177.726 -0.026 RESID 193 (L): CA 55.790 55.790 56.976 -1.186 RESID 193 (L): CB 42.330 42.330 42.067 0.263 RESID 193 (L): H 8.362 8.362 7.131 1.231 RESID 194 (F): N 116.800 116.800 113.460 3.340 RESID 194 (F): C 178.200 178.200 175.828 2.372 RESID 194 (F): CA 54.620 54.620 57.255 -2.635 RESID 194 (F): CB 37.390 37.390 39.699 -2.309 RESID 194 (F): H 8.036 8.036 7.296 0.740 RESID 195 (G): N 106.900 106.900 108.879 -1.979 RESID 195 (G): C 174.200 174.200 173.872 0.328 RESID 195 (G): CA 44.120 44.120 45.041 -0.921 RESID 195 (G): H 7.510 7.510 7.678 -0.168 RESID 196 (V): N 112.400 112.400 123.646 -11.246 RESID 196 (V): C 175.300 175.300 175.991 -0.691 RESID 196 (V): CA 60.720 60.720 64.224 -3.504 RESID 196 (V): CB 30.630 30.630 32.172 -1.542 RESID 196 (V): H 8.064 8.064 8.292 -0.228 RESID 197 (G): N 108.100 108.100 105.342 2.758 RESID 197 (G): C 172.300 172.300 172.010 0.290 RESID 197 (G): CA 43.210 43.210 45.258 -2.048 RESID 197 (G): H 7.788 7.788 7.240 0.548 RESID 198 (T): N 109.200 109.200 113.754 -4.554 RESID 198 (T): C 172.800 172.800 173.233 -0.433 RESID 198 (T): CA 59.090 59.090 59.350 -0.260 RESID 198 (T): CB 71.080 71.080 71.299 -0.219 RESID 198 (T): H 7.796 7.796 7.948 -0.152 RESID 199 (G): N 103.900 103.900 108.574 -4.674 RESID 199 (G): C 171.800 171.800 172.588 -0.788 RESID 199 (G): CA 43.840 43.840 45.350 -1.510 RESID 199 (G): H 7.928 7.928 7.838 0.090 RESID 200 (M): N 121.400 121.400 119.762 1.638 RESID 200 (M): C 176.200 176.200 176.000 0.200 RESID 200 (M): CA 55.260 55.260 55.211 0.049 RESID 200 (M): CB 33.390 33.390 35.111 -1.721 RESID 200 (M): H 7.971 7.971 8.504 -0.533 RESID 201 (G): N 112.200 112.200 110.593 1.607 RESID 201 (G): C 172.000 172.000 172.819 -0.819 RESID 201 (G): CA 44.540 44.540 44.414 0.126 RESID 201 (G): H 8.818 8.818 8.367 0.451 RESID 202 (L): N 124.700 124.700 124.953 -0.253 RESID 202 (L): C 176.000 176.000 175.939 0.061 RESID 202 (L): CA 53.740 53.740 52.831 0.909 RESID 202 (L): CB 46.010 46.010 45.940 0.070 RESID 202 (L): H 8.767 8.767 8.634 0.133 RESID 203 (R): N 121.600 121.600 120.072 1.528 RESID 203 (R): C 180.400 180.400 177.900 2.500 RESID 203 (R): CA 57.130 57.130 55.407 1.723 RESID 203 (R): CB 29.650 29.650 31.315 -1.665 RESID 203 (R): H 10.270 10.270 8.130 2.140 RESID 204 (K): N 123.200 123.200 124.421 -1.221 RESID 204 (K): C 178.200 178.200 177.682 0.518 RESID 204 (K): CA 59.570 59.570 59.689 -0.119 RESID 204 (K): CB 31.840 31.840 32.147 -0.307 RESID 204 (K): H 9.231 9.231 8.676 0.555 RESID 205 (E): N 113.800 113.800 117.165 -3.365 RESID 205 (E): C 177.700 177.700 177.900 -0.200 RESID 205 (E): CA 57.230 57.230 58.237 -1.007 RESID 205 (E): CB 27.770 27.770 28.902 -1.132 RESID 205 (E): H 9.026 9.026 8.226 0.800 RESID 206 (D): N 126.000 126.000 120.850 5.150 RESID 206 (D): C 177.300 177.300 176.522 0.778 RESID 206 (D): CA 53.710 53.710 53.679 0.031 RESID 206 (D): CB 37.530 37.530 38.685 -1.155 RESID 206 (D): H 7.253 7.253 8.042 -0.789 RESID 207 (N): N 120.100 120.100 120.438 -0.338 RESID 207 (N): C 176.900 176.900 177.013 -0.113 RESID 207 (N): CA 56.950 56.950 56.426 0.524 RESID 207 (N): CB 38.820 38.820 38.895 -0.075 RESID 207 (N): H 7.839 7.839 8.733 -0.894 RESID 208 (E): N 120.500 120.500 118.949 1.551 RESID 208 (E): C 179.900 179.900 178.459 1.441 RESID 208 (E): CA 59.870 59.870 58.956 0.914 RESID 208 (E): CB 27.630 27.630 29.451 -1.821 RESID 208 (E): H 8.776 8.776 8.328 0.448 RESID 209 (L): N 122.900 122.900 120.460 2.440 RESID 209 (L): C 177.100 177.100 178.211 -1.111 RESID 209 (L): CA 57.400 57.400 57.533 -0.133 RESID 209 (L): CB 40.660 40.660 41.823 -1.163 RESID 209 (L): H 8.366 8.366 7.859 0.507 RESID 210 (R): N 119.100 119.100 118.743 0.357 RESID 210 (R): C 177.400 177.400 178.194 -0.794 RESID 210 (R): CA 59.970 59.970 59.756 0.214 RESID 210 (R): CB 30.110 30.110 30.023 0.087 RESID 210 (R): H 7.582 7.582 8.321 -0.739 RESID 211 (E): N 116.200 116.200 119.252 -3.052 RESID 211 (E): C 179.800 179.800 178.534 1.266 RESID 211 (E): CA 59.150 59.150 59.260 -0.110 RESID 211 (E): CB 28.600 28.600 29.586 -0.986 RESID 211 (E): H 8.407 8.407 7.870 0.537 RESID 212 (A): N 123.500 123.500 122.693 0.807 RESID 212 (A): C 181.300 181.300 179.654 1.646 RESID 212 (A): CA 54.810 54.810 54.714 0.096 RESID 212 (A): CB 17.170 17.170 18.138 -0.968 RESID 212 (A): H 8.128 8.128 7.617 0.511 RESID 213 (L): N 121.200 121.200 119.669 1.531 RESID 213 (L): C 178.400 178.400 179.619 -1.219 RESID 213 (L): CA 57.710 57.710 58.194 -0.484 RESID 213 (L): CB 41.450 41.450 41.202 0.248 RESID 213 (L): H 8.364 8.364 8.070 0.294 RESID 214 (N): N 119.200 119.200 116.455 2.745 RESID 214 (N): C 179.700 179.700 177.846 1.854 RESID 214 (N): CA 55.260 55.260 55.883 -0.623 RESID 214 (N): CB 37.120 37.120 37.931 -0.811 RESID 214 (N): H 8.435 8.435 8.358 0.077 RESID 215 (K): N 123.800 123.800 121.336 2.464 RESID 215 (K): C 178.400 178.400 178.515 -0.115 RESID 215 (K): CA 59.090 59.090 59.399 -0.309 RESID 215 (K): CB 31.740 31.740 32.486 -0.746 RESID 215 (K): H 8.080 8.080 8.452 -0.372 RESID 216 (A): N 122.200 122.200 121.742 0.458 RESID 216 (A): C 179.500 179.500 179.509 -0.009 RESID 216 (A): CA 54.140 54.140 54.892 -0.751 RESID 216 (A): CB 18.700 18.700 18.270 0.430 RESID 216 (A): H 7.935 7.935 8.268 -0.333 RESID 217 (F): N 119.500 119.500 120.120 -0.620 RESID 217 (F): C 177.200 177.200 176.975 0.225 RESID 217 (F): CA 61.390 61.390 60.291 1.099 RESID 217 (F): CB 38.000 38.000 39.069 -1.069 RESID 217 (F): H 8.916 8.916 8.312 0.604 RESID 218 (A): N 121.300 121.300 121.209 0.091 RESID 218 (A): C 182.100 182.100 179.673 2.427 RESID 218 (A): CA 54.810 54.810 55.204 -0.394 RESID 218 (A): CB 16.650 16.650 17.992 -1.343 RESID 218 (A): H 7.956 7.956 8.155 -0.199 RESID 219 (E): N 120.000 120.000 119.045 0.955 RESID 219 (E): C 178.600 178.600 179.014 -0.414 RESID 219 (E): CA 59.040 59.040 59.316 -0.276 RESID 219 (E): CB 28.320 28.320 29.483 -1.163 RESID 219 (E): H 7.952 7.952 7.847 0.105 RESID 220 (M): N 120.900 120.900 118.125 2.775 RESID 220 (M): C 179.000 179.000 178.545 0.455 RESID 220 (M): CA 57.430 57.430 59.475 -2.045 RESID 220 (M): CB 32.620 32.620 32.459 0.161 RESID 220 (M): H 8.190 8.190 8.121 0.069 RESID 221 (R): N 119.200 119.200 118.401 0.799 RESID 221 (R): C 179.300 179.300 178.887 0.413 RESID 221 (R): CA 58.710 58.710 58.936 -0.226 RESID 221 (R): CB 27.480 27.480 29.866 -2.386 RESID 221 (R): H 7.762 7.762 7.523 0.239 RESID 222 (A): N 122.500 122.500 122.069 0.431 RESID 222 (A): C 179.300 179.300 178.913 0.387 RESID 222 (A): CA 54.180 54.180 54.620 -0.440 RESID 222 (A): CB 18.030 18.030 18.563 -0.533 RESID 222 (A): H 7.838 7.838 7.749 0.089 RESID 223 (D): N 115.100 115.100 114.598 0.502 RESID 223 (D): C 177.900 177.900 177.254 0.646 RESID 223 (D): CA 53.020 53.020 53.121 -0.101 RESID 223 (D): CB 39.570 39.570 40.424 -0.854 RESID 223 (D): H 8.091 8.091 7.969 0.122 RESID 224 (G): N 106.700 106.700 108.923 -2.223 RESID 224 (G): C 176.000 176.000 175.992 0.008 RESID 224 (G): CA 45.070 45.070 46.330 -1.260 RESID 224 (G): H 7.199 7.199 7.494 -0.295 RESID 225 (T): N 122.400 122.400 117.116 5.284 RESID 225 (T): C 175.700 175.700 175.340 0.360 RESID 225 (T): CA 67.610 67.610 67.850 -0.240 RESID 225 (T): CB 66.840 66.840 68.767 -1.928 RESID 225 (T): H 9.095 9.095 8.790 0.305 RESID 226 (Y): N 121.500 121.500 121.712 -0.212 RESID 226 (Y): C 176.000 176.000 176.913 -0.913 RESID 226 (Y): CA 62.530 62.530 62.264 0.266 RESID 226 (Y): CB 38.410 38.410 38.325 0.085 RESID 226 (Y): H 8.040 8.040 7.651 0.389 RESID 227 (E): N 118.200 118.200 118.722 -0.522 RESID 227 (E): C 178.200 178.200 178.694 -0.494 RESID 227 (E): CA 58.940 58.940 59.479 -0.539 RESID 227 (E): CB 28.810 28.810 29.123 -0.313 RESID 227 (E): H 8.153 8.153 8.595 -0.442 RESID 228 (K): N 119.100 119.100 120.389 -1.289 RESID 228 (K): C 179.500 179.500 179.060 0.440 RESID 228 (K): CA 59.260 59.260 59.487 -0.228 RESID 228 (K): CB 31.520 31.520 32.416 -0.896 RESID 228 (K): H 7.558 7.558 8.378 -0.820 RESID 229 (L): N 119.100 119.100 119.386 -0.286 RESID 229 (L): C 179.300 179.300 178.807 0.493 RESID 229 (L): CA 56.970 56.970 57.706 -0.736 RESID 229 (L): CB 41.520 41.520 41.880 -0.360 RESID 229 (L): H 8.055 8.055 8.065 -0.010 RESID 230 (A): N 121.200 121.200 122.094 -0.894 RESID 230 (A): C 180.500 180.500 179.214 1.286 RESID 230 (A): CA 54.890 54.890 55.516 -0.626 RESID 230 (A): CB 17.570 17.570 17.715 -0.145 RESID 230 (A): H 8.901 8.901 8.332 0.569 RESID 231 (K): N 117.200 117.200 117.932 -0.732 RESID 231 (K): C 177.700 177.700 178.141 -0.441 RESID 231 (K): CA 57.370 57.370 58.762 -1.392 RESID 231 (K): CB 31.330 31.330 32.346 -1.016 RESID 231 (K): H 8.062 8.062 8.056 0.006 RESID 232 (K): N 117.600 117.600 116.741 0.859 RESID 232 (K): C 176.800 176.800 179.168 -2.368 RESID 232 (K): CA 57.890 57.890 58.621 -0.731 RESID 232 (K): CB 31.150 31.150 32.537 -1.387 RESID 232 (K): H 7.053 7.053 7.412 -0.359 RESID 233 (Y): N 114.000 114.000 117.017 -3.017 RESID 233 (Y): C 175.100 175.100 175.743 -0.643 RESID 233 (Y): CA 58.110 58.110 61.168 -3.058 RESID 233 (Y): CB 39.360 39.360 38.862 0.498 RESID 233 (Y): H 7.013 7.013 7.959 -0.946 RESID 234 (F): N 116.400 116.400 113.375 3.025 RESID 234 (F): C 175.800 175.800 173.430 2.370 RESID 234 (F): CA 54.920 54.920 56.769 -1.849 RESID 234 (F): CB 41.260 41.260 42.792 -1.532 RESID 234 (F): H 8.038 8.038 8.163 -0.125 RESID 235 (D): N 123.000 123.000 120.710 2.290 RESID 235 (D): C 174.500 174.500 175.099 -0.599 RESID 235 (D): CA 52.680 52.680 53.432 -0.752 RESID 235 (D): CB 39.860 39.860 39.736 0.124 RESID 235 (D): H 8.879 8.879 8.630 0.249 RESID 236 (F): N 115.500 115.500 122.036 -6.536 RESID 236 (F): C 173.600 173.600 173.577 0.023 RESID 236 (F): CA 53.950 53.950 56.299 -2.349 RESID 236 (F): CB 39.860 39.860 39.803 0.057 RESID 236 (F): H 6.793 6.793 7.434 -0.641 RESID 237 (D): N 119.700 119.700 122.069 -2.369 RESID 237 (D): C 175.800 175.800 177.097 -1.297 RESID 237 (D): CA 52.980 52.980 52.599 0.381 RESID 237 (D): CB 39.210 39.210 41.885 -2.675 RESID 237 (D): H 8.831 8.831 8.681 0.150 RESID 238 (V): N 129.900 129.900 122.624 7.276 RESID 238 (V): C 175.200 175.200 176.703 -1.503 RESID 238 (V): CA 61.840 61.840 65.105 -3.265 RESID 238 (V): CB 32.500 32.500 31.847 0.653 RESID 238 (V): H 7.376 7.376 8.422 -1.046 RESID 239 (Y): N 123.500 123.500 117.965 5.535 RESID 239 (Y): C 176.500 176.500 178.615 -2.115 RESID 239 (Y): CA 61.920 61.920 60.823 1.097 RESID 239 (Y): CB 38.010 38.010 37.879 0.131 RESID 239 (Y): H 8.314 8.314 8.426 -0.112 RESID 240 (G): N 104.100 104.100 104.541 -0.441 RESID 240 (G): C 174.600 174.600 174.830 -0.230 RESID 240 (G): CA 45.930 45.930 45.429 0.501 RESID 240 (G): H 7.428 7.428 7.969 -0.541 N HA C CA CB H RESID 6 (P): ----- ----- -0.709 -0.628 -0.725 ----- RESID 7 (Q): -0.381 ----- -0.441 -0.654 -0.655 -0.301 RESID 8 (N): 1.942 ----- -0.263 -0.656 -1.390 -0.353 RESID 9 (I): -1.738 ----- -0.153 -0.658 -0.409 -0.737 RESID 10 (R): -0.965 ----- 0.770 -1.486 -0.670 0.886 RESID 11 (I): 3.422 ----- 0.338 0.262 -4.179 0.263 RESID 12 (G): 0.445 ----- -1.487 0.232 ----- 0.865 RESID 13 (T): -0.182 ----- 8.384 -0.528 -1.656 0.692 RESID 14 (D): -0.400 ----- 2.704 -0.454 -1.646 -0.374 RESID 15 (P): ----- ----- -1.039 -1.408 -4.498 ----- RESID 16 (T): 5.413 ----- 0.770 -2.451 -1.129 0.459 RESID 17 (Y): 3.889 ----- -0.458 -1.908 0.284 0.894 RESID 18 (A): 2.430 ----- -0.454 -4.577 -0.182 0.023 RESID 19 (P): ----- ----- -3.971 -2.226 0.182 ----- RESID 20 (F): 7.457 ----- 1.791 2.699 -3.180 -0.142 RESID 21 (E): -2.712 ----- -0.829 -0.812 -5.374 -0.779 RESID 22 (S): 4.072 ----- -0.782 -1.269 -1.226 0.439 RESID 23 (K): -1.880 ----- 2.596 -1.673 -1.810 0.003 RESID 24 (N): 1.558 ----- 1.046 -1.323 -1.879 0.047 RESID 25 (S): ----- ----- -0.032 0.025 -0.176 ----- RESID 26 (Q): -0.187 ----- -0.581 -0.409 -0.476 -0.362 RESID 27 (G): 1.235 ----- -0.279 0.070 ----- 0.359 RESID 28 (E): 1.622 ----- 0.252 -1.346 -0.971 -0.298 RESID 29 (L): 2.425 ----- 0.470 0.425 -1.886 -0.002 RESID 30 (V): -4.374 ----- 1.713 -1.756 0.106 0.988 RESID 31 (G): -0.651 ----- 0.873 -1.386 ----- 1.114 RESID 32 (F): -2.805 ----- 1.904 -0.271 -0.321 0.094 RESID 33 (D): -2.433 ----- 1.013 -0.071 -1.780 1.438 RESID 34 (I): -0.884 ----- 0.069 -3.376 -4.277 -0.361 RESID 35 (D): 0.637 ----- 1.617 -0.301 0.112 0.779 RESID 36 (L): -0.400 ----- 0.518 -0.096 0.661 1.293 RESID 37 (A): -1.641 ----- -0.919 -0.153 -1.084 0.758 RESID 38 (K): -2.842 ----- 0.937 0.463 -0.488 0.689 RESID 39 (E): 2.185 ----- -1.091 -0.897 -1.526 -0.093 RESID 40 (L): 1.110 ----- -0.140 0.229 -1.518 0.643 RESID 41 (C): -2.789 ----- -1.678 -0.380 21.408 -0.181 RESID 42 (K): -0.347 ----- 1.693 -0.631 -0.930 -0.590 RESID 43 (R): 1.529 ----- 0.027 0.299 -0.252 0.526 RESID 44 (I): -5.732 ----- -0.852 -2.157 -1.560 -0.666 RESID 45 (N): 3.046 ----- -0.343 -0.962 0.686 -0.322 RESID 46 (T): 7.092 ----- 0.281 -0.267 -1.349 0.001 RESID 47 (Q): 3.509 ----- 0.817 -0.536 -1.817 -0.300 RESID 48 (C): -0.759 ----- -0.600 -4.708 18.095 0.188 RESID 49 (T): -2.065 ----- 0.168 -1.034 -0.047 -0.563 RESID 50 (F): -2.141 ----- -0.142 0.049 0.402 0.354 RESID 51 (V): 2.644 ----- -0.020 -0.014 -1.701 0.145 RESID 52 (E): -2.036 ----- 1.681 -2.820 -1.035 -0.155 RESID 53 (N): 6.501 ----- -1.816 -0.311 5.703 0.686 RESID 54 (P): ----- ----- -0.150 -0.692 -1.426 ----- RESID 55 (L): 0.308 ----- 0.874 -1.103 0.109 0.318 RESID 56 (D): -3.661 ----- -0.825 -0.789 -0.526 0.116 RESID 57 (A): 0.492 ----- 1.050 -2.193 -0.469 -0.232 RESID 58 (L): 1.229 ----- -0.958 0.899 -1.734 -0.305 RESID 59 (I): 0.004 ----- 1.233 1.615 -0.691 1.307 RESID 60 (P): ----- ----- 0.872 -0.642 -1.280 ----- RESID 61 (S): -0.087 ----- -1.200 0.315 ----- -0.369 RESID 62 (L): 3.131 ----- 2.040 -0.313 0.046 0.069 RESID 63 (K): 1.955 ----- 0.054 0.328 -1.701 0.691 RESID 64 (A): 0.012 ----- -0.480 -0.307 -0.414 -0.289 RESID 65 (K): -1.803 ----- -0.480 -0.190 -2.187 0.083 RESID 66 (K): 2.889 ----- -0.519 -1.244 -0.843 0.649 RESID 67 (I): -5.049 ----- -1.375 0.006 -0.559 -0.203 RESID 68 (D): -3.084 ----- -3.577 0.234 1.612 1.344 RESID 69 (A): -0.836 ----- 1.058 -1.020 -0.229 -0.060 RESID 70 (I): -0.415 ----- 0.119 -0.589 0.238 1.343 RESID 71 (M): -0.768 ----- -1.427 -1.967 0.027 0.194 RESID 72 (S): 1.140 ----- -1.088 0.904 -0.622 0.025 RESID 73 (S): 5.601 ----- 0.002 -0.957 0.141 -0.066 RESID 74 (L): -3.309 ----- -0.670 -1.264 -0.477 1.252 RESID 75 (S): 2.166 ----- 0.787 2.254 -1.610 0.261 RESID 76 (I): 9.292 ----- 0.935 1.728 -3.813 0.021 RESID 77 (T): 3.005 ----- -0.280 -2.209 -0.740 -1.020 RESID 78 (E): -0.414 ----- 1.608 -1.721 -0.638 0.024 RESID 79 (K): 0.052 ----- 1.556 -0.302 -0.690 0.052 RESID 80 (R): -0.316 ----- 0.135 0.368 0.303 0.275 RESID 81 (Q): -0.840 ----- -2.367 -1.686 0.340 0.080 RESID 82 (Q): -1.982 ----- -0.109 -1.063 -0.542 -0.637 RESID 83 (E): -1.465 ----- -0.779 -1.206 1.660 -0.259 RESID 84 (I): 3.290 ----- -1.312 0.466 -0.680 0.295 RESID 85 (A): 0.211 ----- -0.230 -1.105 0.835 0.248 RESID 86 (F): -3.482 ----- 2.942 -0.942 0.255 -0.326 RESID 87 (T): -6.662 ----- 0.894 0.839 2.629 -0.442 RESID 88 (D): -1.637 ----- -0.664 -0.748 1.095 0.023 RESID 89 (K): 1.920 ----- -0.808 -1.638 0.204 0.043 RESID 90 (L): -2.516 ----- 0.164 -2.667 -1.332 0.209 RESID 91 (Y): 0.484 ----- -1.036 0.389 -2.857 -0.430 RESID 92 (A): 0.704 ----- -1.084 0.890 0.736 -0.947 RESID 93 (A): -0.745 ----- -0.928 0.409 -0.022 0.389 RESID 94 (D): 1.275 ----- -0.811 -1.207 -0.237 0.763 RESID 95 (S): -1.906 ----- -1.465 0.432 -0.087 -1.040 RESID 96 (R): 4.526 ----- -0.171 1.565 -0.288 0.396 RESID 97 (L): -0.992 ----- 1.681 0.354 -1.759 1.297 RESID 98 (V): 1.273 ----- 0.658 0.886 0.624 1.500 RESID 99 (V): -3.871 ----- 0.654 -0.632 1.017 1.052 RESID 100 (A): 0.940 ----- 0.830 2.042 -1.970 0.619 RESID 101 (K): -4.082 ----- -0.233 0.380 -0.479 -1.076 RESID 102 (N): -1.043 ----- 0.246 -2.386 -1.687 -0.229 RESID 103 (S): 0.266 ----- 2.752 0.667 0.381 0.071 RESID 104 (D): -0.825 ----- 1.712 -0.975 -0.597 0.001 RESID 105 (I): -1.217 ----- -0.698 3.192 -2.960 -0.334 RESID 106 (Q): -0.606 ----- 0.688 -0.647 2.019 -0.205 RESID 107 (P): ----- ----- -0.477 -1.790 -3.915 ----- RESID 108 (T): -3.089 ----- -0.379 -3.895 -1.074 0.804 RESID 109 (V): -1.749 ----- 0.364 0.822 -2.190 0.286 RESID 110 (E): -3.922 ----- -0.257 -0.887 -0.878 0.028 RESID 111 (S): -0.219 ----- 0.578 -1.605 1.213 -1.046 RESID 112 (L): -4.343 ----- -0.011 -0.851 0.100 0.349 RESID 113 (K): 1.850 ----- 0.705 0.628 -1.408 -0.270 RESID 114 (G): 0.943 ----- -0.597 -0.099 ----- 0.098 RESID 115 (K): -1.171 ----- -1.322 -1.062 -1.289 0.660 RESID 116 (R): -1.506 ----- 0.309 -0.992 0.575 1.048 RESID 117 (V): 3.044 ----- 0.585 -0.091 -2.346 0.606 RESID 118 (G): 0.664 ----- -0.284 1.463 ----- 1.336 RESID 119 (V): -5.947 ----- 0.071 -2.176 -0.624 -0.136 RESID 120 (L): 0.262 ----- 1.236 -0.269 -1.422 0.138 RESID 121 (Q): 0.830 ----- -0.344 -0.406 -1.605 0.313 RESID 122 (G): -0.016 ----- 1.545 -0.230 ----- 0.617 RESID 123 (T): -1.684 ----- 2.391 0.265 2.883 -0.516 RESID 124 (T): 1.380 ----- 1.573 -0.688 -0.973 0.268 RESID 125 (Q): -1.811 ----- 0.214 1.909 -2.736 -0.750 RESID 126 (E): 2.125 ----- -1.295 -0.203 -0.905 -0.093 RESID 127 (T): 1.600 ----- -0.161 -0.463 -1.132 0.558 RESID 128 (F): -0.053 ----- 0.471 0.876 -0.121 0.289 RESID 129 (G): -0.129 ----- -0.385 -0.521 ----- -0.262 RESID 130 (N): 4.562 ----- 0.368 0.061 -0.625 0.358 RESID 131 (E): 2.280 ----- 0.801 1.234 -1.414 0.422 RESID 132 (H): -6.034 ----- 0.350 -1.887 0.711 -0.005 RESID 133 (W): 1.865 ----- 0.609 -0.980 0.671 0.174 RESID 134 (A): 0.754 ----- 0.481 0.768 -0.812 1.179 RESID 135 (P): ----- ----- -0.033 -0.055 -0.184 ----- RESID 136 (K): -0.659 ----- -1.035 -2.349 -0.446 -0.437 RESID 137 (G): -2.249 ----- 0.772 0.366 ----- 0.197 RESID 138 (I): 5.027 ----- -0.400 0.340 -1.756 -0.594 RESID 139 (E): 1.110 ----- -1.197 0.442 -1.721 -0.106 RESID 140 (I): 7.818 ----- 1.330 -1.924 -6.142 0.285 RESID 141 (V): 7.736 ----- -0.097 -0.092 -3.781 0.443 RESID 142 (S): 2.811 ----- 1.478 0.379 -0.040 0.103 RESID 143 (Y): -2.659 ----- -0.477 -0.400 0.969 -0.280 RESID 144 (Q): -0.565 ----- 1.095 0.583 -1.387 0.231 RESID 145 (G): -0.542 ----- -0.663 -0.021 ----- -0.330 RESID 146 (Q): 1.386 ----- -0.147 -1.008 -0.436 0.086 RESID 147 (D): -0.536 ----- 0.418 -0.233 -0.846 -0.041 RESID 148 (N): -0.246 ----- -0.630 -0.454 0.603 -1.068 RESID 149 (I): 0.087 ----- -0.118 -0.602 -1.681 -0.295 RESID 150 (Y): -0.842 ----- 0.726 -1.963 -1.680 -0.496 RESID 151 (S): 2.119 ----- -0.018 -0.391 -0.116 -0.051 RESID 152 (D): -0.962 ----- 0.638 -0.302 -2.131 -0.174 RESID 153 (L): 2.948 ----- 1.731 0.605 -0.192 0.495 RESID 154 (T): -1.600 ----- 1.337 -1.505 -0.310 0.071 RESID 155 (A): 1.709 ----- 0.161 -0.677 -0.402 0.374 RESID 156 (G): 0.745 ----- -0.253 0.262 ----- -0.129 RESID 157 (R): -0.230 ----- 0.865 -0.380 -0.371 0.301 RESID 158 (I): -3.867 ----- -0.577 0.697 -1.039 -0.009 RESID 159 (D): -4.608 ----- -0.949 -0.390 1.923 0.256 RESID 160 (A): -0.039 ----- 0.585 -1.307 1.708 0.535 RESID 161 (A): 1.620 ----- -0.188 -0.562 -0.489 0.918 RESID 162 (F): 2.472 ----- -2.105 -3.753 0.601 0.536 RESID 163 (Q): 1.229 ----- -0.311 -0.082 1.243 -0.417 RESID 164 (D): 1.096 ----- -1.454 1.034 0.303 -0.147 RESID 165 (E): 5.682 ----- -0.429 0.086 0.181 -0.176 RESID 166 (V): 1.226 ----- 0.996 0.076 -0.229 0.523 RESID 167 (A): 3.129 ----- 3.401 0.265 -0.143 0.695 RESID 168 (A): -0.869 ----- 0.077 -0.373 0.315 0.454 RESID 169 (S): -1.022 ----- -0.487 -1.491 0.396 -0.084 RESID 170 (E): -4.774 ----- 1.414 -0.494 0.725 0.995 RESID 171 (G): -1.459 ----- -1.311 -0.291 ----- 0.815 RESID 172 (F): -2.409 ----- -2.500 -0.471 1.647 -1.030 RESID 173 (L): 0.030 ----- 0.704 0.779 -1.808 0.937 RESID 174 (K): -1.823 ----- 0.548 -0.793 -0.887 0.453 RESID 175 (Q): 1.637 ----- 2.047 0.273 -3.096 -0.142 RESID 176 (P): ----- ----- 1.946 0.652 -0.826 ----- RESID 177 (V): -4.871 ----- -2.027 -3.116 0.056 -0.226 RESID 178 (G): 3.951 ----- 0.208 -2.130 ----- -0.735 RESID 179 (K): 1.804 ----- -0.562 -0.090 -1.031 -0.367 RESID 180 (D): -0.042 ----- -1.952 -1.955 -1.631 0.587 RESID 181 (Y): 5.519 ----- -1.180 0.190 -0.449 0.350 RESID 182 (K): -1.827 ----- 0.623 -2.111 2.262 0.665 RESID 183 (F): -3.204 ----- 2.670 -1.122 -4.655 0.343 RESID 184 (G): 4.691 ----- -1.569 1.984 ----- 0.289 RESID 185 (G): 2.189 ----- -1.755 -0.915 ----- -0.551 RESID 186 (P): ----- ----- -0.697 -2.518 0.775 ----- RESID 187 (S): -6.571 ----- -0.344 0.466 -2.416 0.136 RESID 188 (V): 1.529 ----- 0.279 -0.482 -2.023 1.233 RESID 189 (K): 2.771 ----- 2.621 -1.501 -0.938 -0.014 RESID 190 (D): -1.793 ----- -1.585 2.143 2.183 0.538 RESID 191 (E): 2.524 ----- -0.243 0.875 -1.097 0.396 RESID 192 (K): -1.256 ----- 0.151 -0.776 -0.455 -0.850 RESID 193 (L): 0.213 ----- -0.026 -1.186 0.263 1.231 RESID 194 (F): 3.340 ----- 2.372 -2.635 -2.309 0.740 RESID 195 (G): -1.979 ----- 0.328 -0.921 ----- -0.168 RESID 196 (V): -11.246 ----- -0.691 -3.504 -1.542 -0.228 RESID 197 (G): 2.758 ----- 0.290 -2.048 ----- 0.548 RESID 198 (T): -4.554 ----- -0.433 -0.260 -0.219 -0.152 RESID 199 (G): -4.674 ----- -0.788 -1.510 ----- 0.090 RESID 200 (M): 1.638 ----- 0.200 0.049 -1.721 -0.533 RESID 201 (G): 1.607 ----- -0.819 0.126 ----- 0.451 RESID 202 (L): -0.253 ----- 0.061 0.909 0.070 0.133 RESID 203 (R): 1.528 ----- 2.500 1.723 -1.665 2.140 RESID 204 (K): -1.221 ----- 0.518 -0.119 -0.307 0.555 RESID 205 (E): -3.365 ----- -0.200 -1.007 -1.132 0.800 RESID 206 (D): 5.150 ----- 0.778 0.031 -1.155 -0.789 RESID 207 (N): -0.338 ----- -0.113 0.524 -0.075 -0.894 RESID 208 (E): 1.551 ----- 1.441 0.914 -1.821 0.448 RESID 209 (L): 2.440 ----- -1.111 -0.133 -1.163 0.507 RESID 210 (R): 0.357 ----- -0.794 0.214 0.087 -0.739 RESID 211 (E): -3.052 ----- 1.266 -0.110 -0.986 0.537 RESID 212 (A): 0.807 ----- 1.646 0.096 -0.968 0.511 RESID 213 (L): 1.531 ----- -1.219 -0.484 0.248 0.294 RESID 214 (N): 2.745 ----- 1.854 -0.623 -0.811 0.077 RESID 215 (K): 2.464 ----- -0.115 -0.309 -0.746 -0.372 RESID 216 (A): 0.458 ----- -0.009 -0.751 0.430 -0.333 RESID 217 (F): -0.620 ----- 0.225 1.099 -1.069 0.604 RESID 218 (A): 0.091 ----- 2.427 -0.394 -1.343 -0.199 RESID 219 (E): 0.955 ----- -0.414 -0.276 -1.163 0.105 RESID 220 (M): 2.775 ----- 0.455 -2.045 0.161 0.069 RESID 221 (R): 0.799 ----- 0.413 -0.226 -2.386 0.239 RESID 222 (A): 0.431 ----- 0.387 -0.440 -0.533 0.089 RESID 223 (D): 0.502 ----- 0.646 -0.101 -0.854 0.122 RESID 224 (G): -2.223 ----- 0.008 -1.260 ----- -0.295 RESID 225 (T): 5.284 ----- 0.360 -0.240 -1.928 0.305 RESID 226 (Y): -0.212 ----- -0.913 0.266 0.085 0.389 RESID 227 (E): -0.522 ----- -0.494 -0.539 -0.313 -0.442 RESID 228 (K): -1.289 ----- 0.440 -0.228 -0.896 -0.820 RESID 229 (L): -0.286 ----- 0.493 -0.736 -0.360 -0.010 RESID 230 (A): -0.894 ----- 1.286 -0.626 -0.145 0.569 RESID 231 (K): -0.732 ----- -0.441 -1.392 -1.016 0.006 RESID 232 (K): 0.859 ----- -2.368 -0.731 -1.387 -0.359 RESID 233 (Y): -3.017 ----- -0.643 -3.058 0.498 -0.946 RESID 234 (F): 3.025 ----- 2.370 -1.849 -1.532 -0.125 RESID 235 (D): 2.290 ----- -0.599 -0.752 0.124 0.249 RESID 236 (F): -6.536 ----- 0.023 -2.349 0.057 -0.641 RESID 237 (D): -2.369 ----- -1.297 0.381 -2.675 0.150 RESID 238 (V): 7.276 ----- -1.503 -3.265 0.653 -1.046 RESID 239 (Y): 5.535 ----- -2.115 1.097 0.131 -0.112 RESID 240 (G): -0.441 ----- -0.230 0.501 ----- -0.541 DATA CS_STAT_INFO N RMS: 2.920 ppm Count: 226 Average Difference: -0.180 +/- 2.921 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.281 ppm Count: 236 Average Difference: -0.115 +/- 1.278 ppm DATA CS_STAT_INFO CA RMS: 1.320 ppm Count: 236 Average Difference: 0.521 +/- 1.216 ppm DATA CS_STAT_INFO CB RMS: 2.468 ppm Count: 215 Average Difference: 0.513 +/- 2.420 ppm DATA CS_STAT_INFO HN RMS: 0.583 ppm Count: 226 Average Difference: -0.126 +/- 0.570 ppm ############################################################################ For conformer 25: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.296 0.004 RESID 5 (I): C 174.300 174.300 174.352 -0.052 RESID 5 (I): CA 57.710 57.710 59.836 -2.126 RESID 5 (I): CB 37.260 37.260 37.768 -0.508 RESID 5 (I): H 7.868 7.868 8.228 -0.360 RESID 6 (P): C 176.100 176.100 177.511 -1.411 RESID 6 (P): CA 62.180 62.180 62.995 -0.815 RESID 6 (P): CB 31.620 31.620 32.093 -0.473 RESID 7 (Q): N 119.200 119.200 121.131 -1.931 RESID 7 (Q): C 175.600 175.600 175.498 0.102 RESID 7 (Q): CA 57.190 57.190 58.282 -1.092 RESID 7 (Q): CB 28.500 28.500 29.218 -0.718 RESID 7 (Q): H 8.380 8.380 8.662 -0.282 RESID 8 (N): N 116.300 116.300 114.399 1.901 RESID 8 (N): C 173.600 173.600 173.888 -0.288 RESID 8 (N): CA 51.720 51.720 52.392 -0.672 RESID 8 (N): CB 40.540 40.540 41.885 -1.345 RESID 8 (N): H 7.472 7.472 7.821 -0.348 RESID 9 (I): N 121.000 121.000 123.406 -2.406 RESID 9 (I): C 174.700 174.700 174.902 -0.202 RESID 9 (I): CA 59.480 59.480 60.182 -0.702 RESID 9 (I): CB 39.740 39.740 39.543 0.197 RESID 9 (I): H 8.416 8.416 9.145 -0.729 RESID 10 (R): N 126.500 126.500 127.807 -1.307 RESID 10 (R): C 175.800 175.800 175.058 0.742 RESID 10 (R): CA 53.950 53.950 55.747 -1.797 RESID 10 (R): CB 30.670 30.670 30.926 -0.256 RESID 10 (R): H 9.098 9.098 8.642 0.456 RESID 11 (I): N 127.500 127.500 124.271 3.229 RESID 11 (I): C 175.600 175.600 175.327 0.273 RESID 11 (I): CA 59.480 59.480 59.321 0.159 RESID 11 (I): CB 37.460 37.460 41.475 -4.015 RESID 11 (I): H 9.279 9.279 9.019 0.260 RESID 12 (G): N 114.800 114.800 114.389 0.411 RESID 12 (G): C 171.700 171.700 173.099 -1.399 RESID 12 (G): CA 44.540 44.540 44.306 0.234 RESID 12 (G): H 9.382 9.382 8.528 0.854 RESID 13 (T): N 120.600 120.600 121.421 -0.821 RESID 13 (T): C 181.600 181.600 173.048 8.552 RESID 13 (T): CA 61.470 61.470 62.068 -0.598 RESID 13 (T): CB 69.970 69.970 71.668 -1.698 RESID 13 (T): H 8.594 8.594 7.929 0.665 RESID 14 (D): N 127.000 127.000 127.750 -0.750 RESID 14 (D): C 177.500 177.500 174.661 2.839 RESID 14 (D): CA 49.760 49.760 50.232 -0.472 RESID 14 (D): CB 40.580 40.580 42.254 -1.674 RESID 14 (D): H 8.200 8.200 8.670 -0.470 RESID 15 (P): C 175.400 175.400 176.545 -1.145 RESID 15 (P): CA 61.920 61.920 63.312 -1.392 RESID 15 (P): CB 27.890 27.890 32.351 -4.461 RESID 16 (T): N 116.200 116.200 110.596 5.604 RESID 16 (T): C 174.000 174.000 173.219 0.781 RESID 16 (T): CA 59.560 59.560 62.016 -2.456 RESID 16 (T): CB 68.650 68.650 69.845 -1.195 RESID 16 (T): H 8.739 8.739 8.270 0.469 RESID 17 (Y): N 125.800 125.800 121.894 3.906 RESID 17 (Y): C 175.200 175.200 175.655 -0.455 RESID 17 (Y): CA 54.180 54.180 56.107 -1.927 RESID 17 (Y): CB 38.700 38.700 38.447 0.253 RESID 17 (Y): H 8.943 8.943 8.046 0.897 RESID 18 (A): N 132.100 132.100 129.675 2.425 RESID 18 (A): C 176.000 176.000 176.461 -0.461 RESID 18 (A): CA 51.490 51.490 56.074 -4.584 RESID 18 (A): CB 16.070 16.070 16.256 -0.186 RESID 18 (A): H 8.945 8.945 8.926 0.019 RESID 19 (P): C 173.500 173.500 177.818 -4.318 RESID 19 (P): CA 62.890 62.890 65.245 -2.355 RESID 19 (P): CB 31.790 31.790 31.596 0.194 RESID 20 (F): N 125.100 125.100 117.365 7.735 RESID 20 (F): C 176.700 176.700 175.089 1.611 RESID 20 (F): CA 62.420 62.420 59.687 2.733 RESID 20 (F): CB 37.980 37.980 41.068 -3.088 RESID 20 (F): H 8.117 8.117 8.256 -0.139 RESID 21 (E): N 111.800 111.800 114.553 -2.753 RESID 21 (E): C 173.600 173.600 174.426 -0.826 RESID 21 (E): CA 54.400 54.400 55.206 -0.806 RESID 21 (E): CB 28.770 28.770 34.155 -5.385 RESID 21 (E): H 7.701 7.701 8.474 -0.773 RESID 22 (S): N 117.200 117.200 113.117 4.083 RESID 22 (S): C 171.500 171.500 172.284 -0.784 RESID 22 (S): CA 57.290 57.290 58.572 -1.282 RESID 22 (S): CB 62.940 62.940 64.160 -1.220 RESID 22 (S): H 8.750 8.750 8.304 0.446 RESID 23 (K): N 117.400 117.400 119.475 -2.075 RESID 23 (K): C 177.600 177.600 175.038 2.562 RESID 23 (K): CA 53.700 53.700 55.380 -1.680 RESID 23 (K): CB 33.330 33.330 35.129 -1.799 RESID 23 (K): H 8.238 8.238 8.249 -0.011 RESID 24 (N): N 122.400 122.400 121.150 1.250 RESID 24 (N): C 178.000 178.000 177.043 0.957 RESID 24 (N): CA 50.600 50.600 51.999 -1.399 RESID 24 (N): CB 38.140 38.140 40.035 -1.895 RESID 24 (N): H 8.584 8.584 8.583 0.001 RESID 25 (S): C 175.400 175.400 175.373 0.027 RESID 25 (S): CA 60.970 60.970 60.992 -0.022 RESID 25 (S): CB 62.410 62.410 62.614 -0.204 RESID 26 (Q): N 119.300 119.300 119.466 -0.166 RESID 26 (Q): C 176.200 176.200 176.736 -0.536 RESID 26 (Q): CA 55.180 55.180 55.591 -0.411 RESID 26 (Q): CB 28.260 28.260 28.743 -0.483 RESID 26 (Q): H 7.520 7.520 7.904 -0.384 RESID 27 (G): N 108.800 108.800 107.702 1.098 RESID 27 (G): C 173.700 173.700 174.062 -0.362 RESID 27 (G): CA 45.050 45.050 45.048 0.001 RESID 27 (G): H 8.169 8.169 7.889 0.280 RESID 28 (E): N 121.200 121.200 120.800 0.400 RESID 28 (E): C 175.800 175.800 175.631 0.169 RESID 28 (E): CA 54.490 54.490 55.972 -1.482 RESID 28 (E): CB 29.750 29.750 30.602 -0.852 RESID 28 (E): H 7.836 7.836 8.058 -0.222 RESID 29 (L): N 123.500 123.500 121.182 2.318 RESID 29 (L): C 176.400 176.400 175.964 0.436 RESID 29 (L): CA 54.310 54.310 53.710 0.600 RESID 29 (L): CB 41.180 41.180 42.839 -1.659 RESID 29 (L): H 8.281 8.281 8.339 -0.058 RESID 30 (V): N 118.200 118.200 122.387 -4.187 RESID 30 (V): C 175.300 175.300 173.576 1.724 RESID 30 (V): CA 58.360 58.360 60.103 -1.743 RESID 30 (V): CB 36.080 36.080 35.983 0.097 RESID 30 (V): H 8.900 8.900 7.884 1.016 RESID 31 (G): N 109.800 109.800 110.438 -0.638 RESID 31 (G): C 174.400 174.400 173.506 0.894 RESID 31 (G): CA 43.830 43.830 45.219 -1.389 RESID 31 (G): H 8.611 8.611 7.494 1.117 RESID 32 (F): N 119.900 119.900 122.655 -2.755 RESID 32 (F): C 177.900 177.900 175.893 2.007 RESID 32 (F): CA 59.800 59.800 60.441 -0.642 RESID 32 (F): CB 38.950 38.950 39.272 -0.322 RESID 32 (F): H 8.295 8.295 8.169 0.126 RESID 33 (D): N 116.500 116.500 118.967 -2.467 RESID 33 (D): C 179.100 179.100 178.112 0.988 RESID 33 (D): CA 56.180 56.180 56.262 -0.082 RESID 33 (D): CB 38.610 38.610 40.408 -1.798 RESID 33 (D): H 8.935 8.935 7.563 1.372 RESID 34 (I): N 118.800 118.800 119.816 -1.016 RESID 34 (I): C 178.000 178.000 177.953 0.047 RESID 34 (I): CA 60.950 60.950 64.339 -3.389 RESID 34 (I): CB 33.620 33.620 37.911 -4.291 RESID 34 (I): H 6.535 6.535 6.901 -0.366 RESID 35 (D): N 121.000 121.000 120.360 0.640 RESID 35 (D): C 180.300 180.300 178.684 1.616 RESID 35 (D): CA 57.100 57.100 57.406 -0.306 RESID 35 (D): CB 40.420 40.420 40.285 0.135 RESID 35 (D): H 8.536 8.536 7.761 0.775 RESID 36 (L): N 120.500 120.500 120.887 -0.387 RESID 36 (L): C 178.500 178.500 177.999 0.501 RESID 36 (L): CA 57.720 57.720 57.753 -0.033 RESID 36 (L): CB 42.230 42.230 41.572 0.658 RESID 36 (L): H 8.508 8.508 7.209 1.299 RESID 37 (A): N 120.200 120.200 121.890 -1.690 RESID 37 (A): C 178.600 178.600 179.548 -0.948 RESID 37 (A): CA 55.170 55.170 55.293 -0.123 RESID 37 (A): CB 17.340 17.340 18.437 -1.097 RESID 37 (A): H 8.383 8.383 7.636 0.747 RESID 38 (K): N 116.400 116.400 119.305 -2.905 RESID 38 (K): C 180.100 180.100 179.159 0.941 RESID 38 (K): CA 60.530 60.530 59.986 0.544 RESID 38 (K): CB 31.840 31.840 32.350 -0.510 RESID 38 (K): H 8.780 8.780 8.163 0.617 RESID 39 (E): N 121.500 121.500 119.317 2.183 RESID 39 (E): C 178.300 178.300 179.384 -1.084 RESID 39 (E): CA 58.430 58.430 59.318 -0.888 RESID 39 (E): CB 27.990 27.990 29.504 -1.514 RESID 39 (E): H 7.692 7.692 7.788 -0.096 RESID 40 (L): N 121.500 121.500 120.371 1.129 RESID 40 (L): C 178.700 178.700 178.822 -0.122 RESID 40 (L): CA 58.490 58.490 58.264 0.226 RESID 40 (L): CB 40.250 40.250 41.756 -1.506 RESID 40 (L): H 8.563 8.563 7.890 0.673 RESID 41 (C): N 115.700 115.700 118.545 -2.845 RESID 41 (C): C 175.800 175.800 177.466 -1.666 RESID 41 (C): CA 62.390 62.390 62.773 -0.383 RESID 41 (C): CB 46.860 46.860 25.443 21.417 RESID 41 (C): H 8.598 8.598 8.716 -0.118 RESID 42 (K): N 119.300 119.300 119.601 -0.301 RESID 42 (K): C 180.800 180.800 179.161 1.639 RESID 42 (K): CA 58.810 58.810 59.456 -0.646 RESID 42 (K): CB 31.430 31.430 32.357 -0.927 RESID 42 (K): H 7.490 7.490 8.062 -0.572 RESID 43 (R): N 119.500 119.500 118.088 1.412 RESID 43 (R): C 178.700 178.700 178.676 0.024 RESID 43 (R): CA 58.760 58.760 58.475 0.285 RESID 43 (R): CB 29.980 29.980 30.210 -0.230 RESID 43 (R): H 8.057 8.057 7.553 0.504 RESID 44 (I): N 111.800 111.800 117.539 -5.739 RESID 44 (I): C 175.000 175.000 175.829 -0.829 RESID 44 (I): CA 60.940 60.940 63.117 -2.177 RESID 44 (I): CB 36.630 36.630 38.181 -1.551 RESID 44 (I): H 7.765 7.765 8.471 -0.706 RESID 45 (N): N 118.800 118.800 115.700 3.100 RESID 45 (N): C 173.600 173.600 173.939 -0.339 RESID 45 (N): CA 53.670 53.670 54.618 -0.948 RESID 45 (N): CB 36.620 36.620 35.919 0.701 RESID 45 (N): H 7.752 7.752 8.040 -0.288 RESID 46 (T): N 112.800 112.800 105.703 7.097 RESID 46 (T): C 173.100 173.100 172.806 0.294 RESID 46 (T): CA 60.020 60.020 60.311 -0.291 RESID 46 (T): CB 70.500 70.500 71.826 -1.325 RESID 46 (T): H 7.920 7.920 7.958 -0.038 RESID 47 (Q): N 123.500 123.500 119.939 3.561 RESID 47 (Q): C 175.400 175.400 174.587 0.813 RESID 47 (Q): CA 54.550 54.550 55.102 -0.552 RESID 47 (Q): CB 28.670 28.670 30.559 -1.889 RESID 47 (Q): H 8.037 8.037 8.308 -0.271 RESID 48 (C): N 123.800 123.800 124.162 -0.362 RESID 48 (C): C 173.800 173.800 174.437 -0.637 RESID 48 (C): CA 53.170 53.170 57.830 -4.660 RESID 48 (C): CB 47.290 47.290 29.454 17.836 RESID 48 (C): H 8.881 8.881 8.667 0.214 RESID 49 (T): N 118.600 118.600 120.544 -1.944 RESID 49 (T): C 172.700 172.700 172.510 0.190 RESID 49 (T): CA 60.210 60.210 61.237 -1.028 RESID 49 (T): CB 70.980 70.980 71.127 -0.147 RESID 49 (T): H 8.324 8.324 8.837 -0.513 RESID 50 (F): N 123.800 123.800 125.828 -2.028 RESID 50 (F): C 175.800 175.800 175.891 -0.091 RESID 50 (F): CA 57.370 57.370 57.323 0.047 RESID 50 (F): CB 40.730 40.730 40.312 0.417 RESID 50 (F): H 8.982 8.982 8.601 0.381 RESID 51 (V): N 126.300 126.300 123.644 2.656 RESID 51 (V): C 174.700 174.700 174.719 -0.019 RESID 51 (V): CA 60.650 60.650 60.635 0.015 RESID 51 (V): CB 33.700 33.700 35.468 -1.768 RESID 51 (V): H 9.271 9.271 9.069 0.202 RESID 52 (E): N 126.900 126.900 128.927 -2.027 RESID 52 (E): C 176.900 176.900 175.079 1.821 RESID 52 (E): CA 54.480 54.480 57.627 -3.147 RESID 52 (E): CB 29.350 29.350 30.282 -0.932 RESID 52 (E): H 8.617 8.617 8.796 -0.179 RESID 53 (N): N 127.100 127.100 119.656 7.444 RESID 53 (N): C 170.600 170.600 172.480 -1.880 RESID 53 (N): CA 51.220 51.220 51.058 0.162 RESID 53 (N): CB 43.980 43.980 38.670 5.310 RESID 53 (N): H 8.917 8.917 8.139 0.778 RESID 54 (P): C 178.600 178.600 178.778 -0.178 RESID 54 (P): CA 61.650 61.650 62.337 -0.687 RESID 54 (P): CB 31.460 31.460 32.887 -1.427 RESID 55 (L): N 124.200 124.200 124.185 0.015 RESID 55 (L): C 179.600 179.600 178.718 0.882 RESID 55 (L): CA 58.130 58.130 59.245 -1.115 RESID 55 (L): CB 41.470 41.470 41.367 0.103 RESID 55 (L): H 9.096 9.096 8.799 0.297 RESID 56 (D): N 115.400 115.400 119.040 -3.640 RESID 56 (D): C 176.500 176.500 177.322 -0.822 RESID 56 (D): CA 56.080 56.080 56.860 -0.780 RESID 56 (D): CB 39.640 39.640 40.176 -0.536 RESID 56 (D): H 8.651 8.651 8.528 0.123 RESID 57 (A): N 120.400 120.400 119.926 0.474 RESID 57 (A): C 180.000 180.000 178.951 1.049 RESID 57 (A): CA 51.440 51.440 53.627 -2.187 RESID 57 (A): CB 19.170 19.170 19.652 -0.482 RESID 57 (A): H 8.079 8.079 8.347 -0.268 RESID 58 (L): N 122.300 122.300 121.084 1.216 RESID 58 (L): C 177.800 177.800 178.763 -0.963 RESID 58 (L): CA 58.960 58.960 58.059 0.901 RESID 58 (L): CB 40.150 40.150 41.862 -1.712 RESID 58 (L): H 7.783 7.783 8.067 -0.284 RESID 59 (I): N 119.600 119.600 119.518 0.082 RESID 59 (I): C 176.400 176.400 175.172 1.228 RESID 59 (I): CA 68.170 68.170 66.519 1.651 RESID 59 (I): CB 33.980 33.980 34.681 -0.702 RESID 59 (I): H 9.094 9.094 7.765 1.329 RESID 60 (P): C 180.100 180.100 179.210 0.890 RESID 60 (P): CA 65.890 65.890 66.507 -0.617 RESID 60 (P): CB 29.980 29.980 31.252 -1.272 RESID 61 (S): N 114.800 114.800 114.931 -0.131 RESID 61 (S): C 175.500 175.500 176.682 -1.182 RESID 61 (S): CA 62.170 62.170 61.952 0.218 RESID 61 (S): H 7.865 7.865 8.185 -0.320 RESID 62 (L): N 126.200 126.200 123.055 3.145 RESID 62 (L): C 181.000 181.000 179.033 1.967 RESID 62 (L): CA 57.400 57.400 57.758 -0.358 RESID 62 (L): CB 41.820 41.820 41.812 0.007 RESID 62 (L): H 8.296 8.296 8.125 0.171 RESID 63 (K): N 121.000 121.000 119.128 1.872 RESID 63 (K): C 178.000 178.000 178.266 -0.266 RESID 63 (K): CA 59.500 59.500 59.262 0.238 RESID 63 (K): CB 30.770 30.770 32.465 -1.695 RESID 63 (K): H 8.461 8.461 7.714 0.747 RESID 64 (A): N 118.700 118.700 118.547 0.153 RESID 64 (A): C 176.200 176.200 176.653 -0.453 RESID 64 (A): CA 51.680 51.680 51.901 -0.221 RESID 64 (A): CB 18.140 18.140 18.424 -0.284 RESID 64 (A): H 7.686 7.686 7.887 -0.201 RESID 65 (K): N 112.200 112.200 113.990 -1.790 RESID 65 (K): C 176.000 176.000 176.477 -0.477 RESID 65 (K): CA 57.800 57.800 57.976 -0.176 RESID 65 (K): CB 27.730 27.730 29.900 -2.170 RESID 65 (K): H 7.751 7.751 7.691 0.060 RESID 66 (K): N 118.300 118.300 115.427 2.873 RESID 66 (K): C 176.600 176.600 177.137 -0.537 RESID 66 (K): CA 57.200 57.200 58.463 -1.263 RESID 66 (K): CB 32.170 32.170 33.011 -0.841 RESID 66 (K): H 8.415 8.415 7.826 0.589 RESID 67 (I): N 107.500 107.500 112.573 -5.073 RESID 67 (I): C 174.000 174.000 175.400 -1.400 RESID 67 (I): CA 59.050 59.050 59.048 0.002 RESID 67 (I): CB 40.470 40.470 41.027 -0.557 RESID 67 (I): H 7.034 7.034 7.259 -0.225 RESID 68 (D): N 119.000 119.000 122.399 -3.399 RESID 68 (D): C 172.200 172.200 175.956 -3.756 RESID 68 (D): CA 55.560 55.560 55.291 0.269 RESID 68 (D): CB 44.210 44.210 42.526 1.684 RESID 68 (D): H 9.739 9.739 8.554 1.185 RESID 69 (A): N 117.400 117.400 118.403 -1.003 RESID 69 (A): C 175.900 175.900 174.801 1.099 RESID 69 (A): CA 50.120 50.120 51.191 -1.071 RESID 69 (A): CB 21.960 21.960 22.161 -0.201 RESID 69 (A): H 7.660 7.660 7.784 -0.124 RESID 70 (I): N 120.500 120.500 120.780 -0.280 RESID 70 (I): C 174.500 174.500 174.432 0.068 RESID 70 (I): CA 60.060 60.060 60.634 -0.574 RESID 70 (I): CB 41.190 41.190 40.917 0.273 RESID 70 (I): H 9.402 9.402 8.086 1.316 RESID 71 (M): N 128.300 128.300 128.691 -0.391 RESID 71 (M): C 172.500 172.500 173.987 -1.487 RESID 71 (M): CA 53.040 53.040 55.066 -2.026 RESID 71 (M): CB 33.940 33.940 34.102 -0.162 RESID 71 (M): H 8.431 8.431 8.237 0.194 RESID 72 (S): N 122.700 122.700 121.016 1.684 RESID 72 (S): C 172.800 172.800 173.784 -0.984 RESID 72 (S): CA 57.630 57.630 56.728 0.902 RESID 72 (S): CB 64.590 64.590 65.250 -0.660 RESID 72 (S): H 8.717 8.717 8.639 0.078 RESID 73 (S): N 120.600 120.600 115.620 4.980 RESID 73 (S): C 174.900 174.900 174.874 0.026 RESID 73 (S): CA 58.590 58.590 59.571 -0.981 RESID 73 (S): CB 62.920 62.920 62.780 0.140 RESID 73 (S): H 8.570 8.570 8.646 -0.076 RESID 74 (L): N 120.700 120.700 124.368 -3.668 RESID 74 (L): C 175.300 175.300 175.871 -0.571 RESID 74 (L): CA 54.320 54.320 55.658 -1.339 RESID 74 (L): CB 42.350 42.350 42.892 -0.542 RESID 74 (L): H 8.678 8.678 7.347 1.331 RESID 75 (S): N 122.000 122.000 119.751 2.249 RESID 75 (S): C 174.500 174.500 173.686 0.814 RESID 75 (S): CA 59.250 59.250 57.018 2.232 RESID 75 (S): CB 63.060 63.060 64.729 -1.669 RESID 75 (S): H 8.142 8.142 7.870 0.272 RESID 76 (I): N 125.200 125.200 115.745 9.455 RESID 76 (I): C 175.500 175.500 174.581 0.919 RESID 76 (I): CA 61.340 61.340 59.549 1.791 RESID 76 (I): CB 35.790 35.790 39.653 -3.863 RESID 76 (I): H 8.307 8.307 8.254 0.053 RESID 77 (T): N 116.600 116.600 113.391 3.209 RESID 77 (T): C 174.800 174.800 175.083 -0.283 RESID 77 (T): CA 57.760 57.760 59.975 -2.216 RESID 77 (T): CB 71.570 71.570 72.317 -0.747 RESID 77 (T): H 6.513 6.513 7.519 -1.006 RESID 78 (E): N 124.500 124.500 124.878 -0.378 RESID 78 (E): C 179.500 179.500 177.895 1.605 RESID 78 (E): CA 59.140 59.140 60.870 -1.730 RESID 78 (E): CB 28.630 28.630 29.266 -0.636 RESID 78 (E): H 8.935 8.935 8.928 0.007 RESID 79 (K): N 118.400 118.400 118.318 0.082 RESID 79 (K): C 180.600 180.600 179.059 1.541 RESID 79 (K): CA 58.890 58.890 59.190 -0.300 RESID 79 (K): CB 31.610 31.610 32.301 -0.691 RESID 79 (K): H 8.415 8.415 8.372 0.043 RESID 80 (R): N 118.500 118.500 118.844 -0.344 RESID 80 (R): C 179.100 179.100 178.956 0.144 RESID 80 (R): CA 59.580 59.580 59.223 0.357 RESID 80 (R): CB 30.380 30.380 30.095 0.285 RESID 80 (R): H 7.678 7.678 7.407 0.271 RESID 81 (Q): N 119.000 119.000 119.647 -0.647 RESID 81 (Q): C 176.600 176.600 178.898 -2.298 RESID 81 (Q): CA 57.510 57.510 58.938 -1.428 RESID 81 (Q): CB 28.880 28.880 28.587 0.293 RESID 81 (Q): H 8.418 8.418 8.285 0.133 RESID 82 (Q): N 115.300 115.300 117.630 -2.330 RESID 82 (Q): C 177.400 177.400 177.822 -0.422 RESID 82 (Q): CA 57.280 57.280 58.323 -1.043 RESID 82 (Q): CB 27.950 27.950 28.523 -0.574 RESID 82 (Q): H 7.297 7.297 7.929 -0.632 RESID 83 (E): N 115.600 115.600 117.719 -2.119 RESID 83 (E): C 176.400 176.400 177.317 -0.917 RESID 83 (E): CA 56.950 56.950 58.353 -1.403 RESID 83 (E): CB 33.090 33.090 31.189 1.901 RESID 83 (E): H 7.627 7.627 7.924 -0.297 RESID 84 (I): N 115.100 115.100 111.893 3.207 RESID 84 (I): C 172.600 172.600 173.944 -1.344 RESID 84 (I): CA 59.380 59.380 58.910 0.470 RESID 84 (I): CB 40.830 40.830 41.496 -0.666 RESID 84 (I): H 8.275 8.275 7.986 0.289 RESID 85 (A): N 120.600 120.600 120.384 0.216 RESID 85 (A): C 175.000 175.000 175.234 -0.234 RESID 85 (A): CA 49.150 49.150 50.255 -1.105 RESID 85 (A): CB 22.280 22.280 21.493 0.787 RESID 85 (A): H 8.679 8.679 8.433 0.246 RESID 86 (F): N 115.500 115.500 118.952 -3.452 RESID 86 (F): C 178.800 178.800 175.825 2.975 RESID 86 (F): CA 55.850 55.850 56.881 -1.031 RESID 86 (F): CB 44.300 44.300 44.033 0.267 RESID 86 (F): H 8.283 8.283 8.611 -0.328 RESID 87 (T): N 108.200 108.200 114.873 -6.673 RESID 87 (T): C 174.700 174.700 173.801 0.899 RESID 87 (T): CA 61.930 61.930 61.080 0.850 RESID 87 (T): CB 72.740 72.740 70.124 2.616 RESID 87 (T): H 7.898 7.898 8.361 -0.463 RESID 88 (D): N 118.400 118.400 120.493 -2.093 RESID 88 (D): C 174.300 174.300 175.637 -1.337 RESID 88 (D): CA 55.030 55.030 55.813 -0.783 RESID 88 (D): CB 40.870 40.870 39.825 1.045 RESID 88 (D): H 8.789 8.789 8.815 -0.026 RESID 89 (K): N 118.100 118.100 116.578 1.522 RESID 89 (K): C 176.200 176.200 176.703 -0.503 RESID 89 (K): CA 55.570 55.570 57.284 -1.714 RESID 89 (K): CB 31.850 31.850 31.570 0.280 RESID 89 (K): H 7.666 7.666 7.699 -0.033 RESID 90 (L): N 123.400 123.400 126.372 -2.972 RESID 90 (L): C 178.000 178.000 177.715 0.285 RESID 90 (L): CA 54.450 54.450 57.330 -2.880 RESID 90 (L): CB 41.710 41.710 43.279 -1.569 RESID 90 (L): H 8.778 8.778 8.713 0.065 RESID 91 (Y): N 110.500 110.500 109.975 0.525 RESID 91 (Y): C 172.600 172.600 173.697 -1.097 RESID 91 (Y): CA 56.070 56.070 55.508 0.562 RESID 91 (Y): CB 37.670 37.670 40.544 -2.874 RESID 91 (Y): H 6.810 6.810 7.170 -0.360 RESID 92 (A): N 123.100 123.100 122.578 0.522 RESID 92 (A): C 175.600 175.600 176.768 -1.168 RESID 92 (A): CA 51.940 51.940 51.086 0.854 RESID 92 (A): CB 20.320 20.320 19.573 0.747 RESID 92 (A): H 8.135 8.135 9.090 -0.955 RESID 93 (A): N 127.000 127.000 127.834 -0.834 RESID 93 (A): C 175.700 175.700 176.651 -0.951 RESID 93 (A): CA 51.020 51.020 50.678 0.341 RESID 93 (A): CB 18.310 18.310 18.425 -0.115 RESID 93 (A): H 8.658 8.658 8.319 0.339 RESID 94 (D): N 122.900 122.900 121.730 1.170 RESID 94 (D): C 175.300 175.300 176.131 -0.831 RESID 94 (D): CA 53.910 53.910 55.126 -1.216 RESID 94 (D): CB 42.030 42.030 42.279 -0.249 RESID 94 (D): H 8.497 8.497 7.750 0.747 RESID 95 (S): N 110.300 110.300 112.161 -1.861 RESID 95 (S): C 171.600 171.600 173.067 -1.467 RESID 95 (S): CA 57.850 57.850 57.370 0.480 RESID 95 (S): CB 66.410 66.410 66.506 -0.096 RESID 95 (S): H 6.844 6.844 7.877 -1.033 RESID 96 (R): N 124.300 124.300 119.762 4.538 RESID 96 (R): C 173.700 173.700 173.855 -0.155 RESID 96 (R): CA 57.450 57.450 55.895 1.555 RESID 96 (R): CB 34.070 34.070 34.347 -0.277 RESID 96 (R): H 9.227 9.227 8.831 0.396 RESID 97 (L): N 124.100 124.100 125.123 -1.023 RESID 97 (L): C 177.600 177.600 175.924 1.676 RESID 97 (L): CA 54.150 54.150 53.803 0.347 RESID 97 (L): CB 42.640 42.640 44.397 -1.757 RESID 97 (L): H 9.343 9.343 8.055 1.288 RESID 98 (V): N 124.500 124.500 123.639 0.861 RESID 98 (V): C 175.700 175.700 175.001 0.699 RESID 98 (V): CA 61.770 61.770 60.856 0.914 RESID 98 (V): CB 32.950 32.950 32.482 0.468 RESID 98 (V): H 9.500 9.500 8.036 1.464 RESID 99 (V): N 116.800 116.800 122.175 -5.375 RESID 99 (V): C 174.600 174.600 173.869 0.731 RESID 99 (V): CA 58.190 58.190 58.469 -0.279 RESID 99 (V): CB 36.780 36.780 35.531 1.249 RESID 99 (V): H 9.192 9.192 8.177 1.015 RESID 100 (A): N 123.400 123.400 122.602 0.798 RESID 100 (A): C 179.200 179.200 178.439 0.761 RESID 100 (A): CA 52.690 52.690 50.641 2.049 RESID 100 (A): CB 18.160 18.160 19.994 -1.834 RESID 100 (A): H 9.043 9.043 8.370 0.673 RESID 101 (K): N 119.600 119.600 123.622 -4.022 RESID 101 (K): C 176.800 176.800 177.028 -0.228 RESID 101 (K): CA 59.360 59.360 58.975 0.385 RESID 101 (K): CB 31.380 31.380 31.884 -0.505 RESID 101 (K): H 7.840 7.840 8.913 -1.073 RESID 102 (N): N 114.400 114.400 115.542 -1.142 RESID 102 (N): C 175.500 175.500 175.236 0.264 RESID 102 (N): CA 52.330 52.330 54.636 -2.306 RESID 102 (N): CB 36.990 36.990 38.607 -1.617 RESID 102 (N): H 7.941 7.941 8.191 -0.250 RESID 103 (S): N 114.800 114.800 114.662 0.138 RESID 103 (S): C 176.000 176.000 173.282 2.718 RESID 103 (S): CA 58.180 58.180 57.482 0.698 RESID 103 (S): CB 64.310 64.310 63.913 0.397 RESID 103 (S): H 7.700 7.700 7.591 0.109 RESID 104 (D): N 128.500 128.500 129.266 -0.766 RESID 104 (D): C 176.700 176.700 175.172 1.528 RESID 104 (D): CA 52.990 52.990 54.010 -1.020 RESID 104 (D): CB 40.330 40.330 40.879 -0.549 RESID 104 (D): H 8.548 8.548 8.541 0.007 RESID 105 (I): N 122.800 122.800 124.772 -1.972 RESID 105 (I): C 173.800 173.800 174.615 -0.815 RESID 105 (I): CA 63.580 63.580 60.569 3.011 RESID 105 (I): CB 37.490 37.490 40.498 -3.009 RESID 105 (I): H 7.826 7.826 8.191 -0.365 RESID 106 (Q): N 124.600 124.600 125.058 -0.458 RESID 106 (Q): C 174.700 174.700 173.834 0.866 RESID 106 (Q): CA 51.380 51.380 52.074 -0.694 RESID 106 (Q): CB 31.050 31.050 29.839 1.211 RESID 106 (Q): H 8.174 8.174 8.497 -0.323 RESID 107 (P): C 175.300 175.300 175.797 -0.497 RESID 107 (P): CA 61.880 61.880 63.660 -1.780 RESID 107 (P): CB 26.860 26.860 31.021 -4.161 RESID 108 (T): N 114.600 114.600 117.721 -3.121 RESID 108 (T): C 174.000 174.000 174.379 -0.379 RESID 108 (T): CA 57.690 57.690 61.627 -3.937 RESID 108 (T): CB 71.020 71.020 71.974 -0.954 RESID 108 (T): H 8.531 8.531 7.671 0.860 RESID 109 (V): N 121.800 121.800 123.238 -1.438 RESID 109 (V): C 177.300 177.300 176.936 0.364 RESID 109 (V): CA 65.600 65.600 64.745 0.855 RESID 109 (V): CB 30.580 30.580 32.772 -2.192 RESID 109 (V): H 8.775 8.775 8.482 0.293 RESID 110 (E): N 116.900 116.900 120.845 -3.945 RESID 110 (E): C 178.400 178.400 178.671 -0.271 RESID 110 (E): CA 59.260 59.260 60.129 -0.869 RESID 110 (E): CB 28.170 28.170 29.048 -0.878 RESID 110 (E): H 8.414 8.414 8.387 0.027 RESID 111 (S): N 113.200 113.200 113.413 -0.213 RESID 111 (S): C 176.500 176.500 175.917 0.583 RESID 111 (S): CA 59.370 59.370 60.980 -1.610 RESID 111 (S): CB 63.730 63.730 62.509 1.221 RESID 111 (S): H 7.387 7.387 8.444 -1.057 RESID 112 (L): N 116.100 116.100 120.420 -4.320 RESID 112 (L): C 176.700 176.700 176.703 -0.003 RESID 112 (L): CA 54.580 54.580 55.380 -0.799 RESID 112 (L): CB 42.650 42.650 42.553 0.097 RESID 112 (L): H 7.676 7.676 7.330 0.346 RESID 113 (K): N 121.000 121.000 119.175 1.825 RESID 113 (K): C 178.200 178.200 177.508 0.692 RESID 113 (K): CA 58.850 58.850 58.231 0.619 RESID 113 (K): CB 30.850 30.850 32.262 -1.412 RESID 113 (K): H 7.445 7.445 7.732 -0.287 RESID 114 (G): N 113.900 113.900 112.932 0.968 RESID 114 (G): C 174.200 174.200 174.796 -0.596 RESID 114 (G): CA 45.240 45.240 45.358 -0.118 RESID 114 (G): H 8.454 8.454 8.358 0.096 RESID 115 (K): N 120.600 120.600 121.751 -1.151 RESID 115 (K): C 174.800 174.800 176.125 -1.325 RESID 115 (K): CA 53.710 53.710 54.766 -1.056 RESID 115 (K): CB 31.990 31.990 33.258 -1.268 RESID 115 (K): H 8.530 8.530 7.864 0.666 RESID 116 (R): N 119.300 119.300 120.814 -1.514 RESID 116 (R): C 176.000 176.000 175.419 0.581 RESID 116 (R): CA 54.720 54.720 55.755 -1.035 RESID 116 (R): CB 32.310 32.310 31.787 0.523 RESID 116 (R): H 9.455 9.455 8.465 0.990 RESID 117 (V): N 126.100 126.100 123.225 2.875 RESID 117 (V): C 175.300 175.300 174.943 0.357 RESID 117 (V): CA 60.090 60.090 60.226 -0.136 RESID 117 (V): CB 33.620 33.620 35.587 -1.967 RESID 117 (V): H 9.217 9.217 8.582 0.635 RESID 118 (G): N 114.000 114.000 113.635 0.365 RESID 118 (G): C 172.300 172.300 172.530 -0.230 RESID 118 (G): CA 45.010 45.010 43.633 1.377 RESID 118 (G): H 9.367 9.367 8.072 1.295 RESID 119 (V): N 116.400 116.400 122.384 -5.984 RESID 119 (V): C 174.100 174.100 174.029 0.071 RESID 119 (V): CA 58.270 58.270 60.448 -2.178 RESID 119 (V): CB 36.370 36.370 36.992 -0.622 RESID 119 (V): H 9.166 9.166 9.298 -0.132 RESID 120 (L): N 124.400 124.400 124.156 0.244 RESID 120 (L): C 176.900 176.900 175.661 1.239 RESID 120 (L): CA 53.690 53.690 53.968 -0.278 RESID 120 (L): CB 41.240 41.240 42.639 -1.399 RESID 120 (L): H 8.961 8.961 8.823 0.138 RESID 121 (Q): N 128.000 128.000 127.187 0.813 RESID 121 (Q): C 176.900 176.900 177.239 -0.339 RESID 121 (Q): CA 56.680 56.680 57.097 -0.417 RESID 121 (Q): CB 27.920 27.920 29.535 -1.615 RESID 121 (Q): H 9.305 9.305 8.998 0.307 RESID 122 (G): N 113.600 113.600 113.534 0.066 RESID 122 (G): C 175.100 175.100 173.562 1.538 RESID 122 (G): CA 45.240 45.240 45.478 -0.238 RESID 122 (G): H 9.383 9.383 8.728 0.655 RESID 123 (T): N 108.400 108.400 110.112 -1.712 RESID 123 (T): C 176.800 176.800 174.412 2.388 RESID 123 (T): CA 60.260 60.260 60.006 0.254 RESID 123 (T): CB 73.530 73.530 70.633 2.897 RESID 123 (T): H 7.220 7.220 7.740 -0.520 RESID 124 (T): N 113.900 113.900 112.585 1.315 RESID 124 (T): C 178.100 178.100 176.529 1.571 RESID 124 (T): CA 63.990 63.990 64.722 -0.732 RESID 124 (T): CB 67.740 67.740 68.703 -0.963 RESID 124 (T): H 8.934 8.934 8.658 0.276 RESID 125 (Q): N 120.600 120.600 122.399 -1.799 RESID 125 (Q): C 178.300 178.300 178.105 0.195 RESID 125 (Q): CA 61.670 61.670 59.749 1.921 RESID 125 (Q): CB 25.310 25.310 28.041 -2.731 RESID 125 (Q): H 7.521 7.521 8.278 -0.757 RESID 126 (E): N 121.900 121.900 119.768 2.132 RESID 126 (E): C 177.600 177.600 178.894 -1.294 RESID 126 (E): CA 59.630 59.630 59.833 -0.203 RESID 126 (E): CB 28.730 28.730 29.638 -0.908 RESID 126 (E): H 7.717 7.717 7.808 -0.091 RESID 127 (T): N 117.800 117.800 116.220 1.580 RESID 127 (T): C 176.200 176.200 176.380 -0.180 RESID 127 (T): CA 66.340 66.340 66.817 -0.477 RESID 127 (T): CB 67.590 67.590 68.724 -1.134 RESID 127 (T): H 8.175 8.175 7.618 0.557 RESID 128 (F): N 121.900 121.900 121.970 -0.070 RESID 128 (F): C 178.000 178.000 177.537 0.463 RESID 128 (F): CA 61.590 61.590 60.730 0.860 RESID 128 (F): CB 38.810 38.810 38.929 -0.119 RESID 128 (F): H 8.882 8.882 8.619 0.263 RESID 129 (G): N 107.000 107.000 107.134 -0.134 RESID 129 (G): C 176.100 176.100 176.479 -0.379 RESID 129 (G): CA 46.690 46.690 47.214 -0.524 RESID 129 (G): H 8.900 8.900 9.165 -0.265 RESID 130 (N): N 123.000 123.000 118.456 4.544 RESID 130 (N): C 176.200 176.200 175.837 0.363 RESID 130 (N): CA 55.400 55.400 55.342 0.058 RESID 130 (N): CB 37.570 37.570 38.196 -0.626 RESID 130 (N): H 8.915 8.915 8.572 0.343 RESID 131 (E): N 119.000 119.000 116.724 2.276 RESID 131 (E): C 177.900 177.900 177.098 0.802 RESID 131 (E): CA 57.940 57.940 56.705 1.235 RESID 131 (E): CB 29.350 29.350 30.761 -1.411 RESID 131 (E): H 7.907 7.907 7.485 0.422 RESID 132 (H): N 112.600 112.600 118.642 -6.042 RESID 132 (H): C 175.900 175.900 175.551 0.349 RESID 132 (H): CA 56.910 56.910 58.797 -1.887 RESID 132 (H): CB 30.510 30.510 29.805 0.706 RESID 132 (H): H 7.877 7.877 7.881 -0.004 RESID 133 (W): N 119.300 119.300 117.430 1.870 RESID 133 (W): C 176.800 176.800 176.188 0.612 RESID 133 (W): CA 55.570 55.570 56.542 -0.972 RESID 133 (W): CB 30.400 30.400 29.731 0.669 RESID 133 (W): H 7.653 7.653 7.502 0.151 RESID 134 (A): N 125.400 125.400 124.651 0.749 RESID 134 (A): C 177.700 177.700 177.225 0.475 RESID 134 (A): CA 55.410 55.410 54.637 0.773 RESID 134 (A): CB 15.990 15.990 16.802 -0.812 RESID 134 (A): H 8.711 8.711 7.533 1.178 RESID 135 (P): C 177.200 177.200 177.396 -0.196 RESID 135 (P): CA 64.510 64.510 64.194 0.316 RESID 135 (P): CB 30.800 30.800 30.984 -0.184 RESID 136 (K): N 115.800 115.800 116.220 -0.420 RESID 136 (K): C 176.500 176.500 177.631 -1.131 RESID 136 (K): CA 53.530 53.530 55.930 -2.400 RESID 136 (K): CB 31.430 31.430 32.037 -0.607 RESID 136 (K): H 7.665 7.665 8.133 -0.468 RESID 137 (G): N 106.100 106.100 108.339 -2.239 RESID 137 (G): C 174.300 174.300 173.524 0.776 RESID 137 (G): CA 45.740 45.740 45.373 0.367 RESID 137 (G): H 7.864 7.864 7.664 0.200 RESID 138 (I): N 124.400 124.400 119.380 5.020 RESID 138 (I): C 174.400 174.400 174.787 -0.387 RESID 138 (I): CA 60.460 60.460 60.117 0.343 RESID 138 (I): CB 38.080 38.080 39.829 -1.749 RESID 138 (I): H 6.889 6.889 7.476 -0.587 RESID 139 (E): N 128.400 128.400 127.256 1.144 RESID 139 (E): C 173.900 173.900 175.093 -1.193 RESID 139 (E): CA 56.050 56.050 55.598 0.452 RESID 139 (E): CB 29.490 29.490 31.241 -1.751 RESID 139 (E): H 8.230 8.230 8.331 -0.101 RESID 140 (I): N 129.500 129.500 121.580 7.920 RESID 140 (I): C 176.100 176.100 174.750 1.350 RESID 140 (I): CA 57.100 57.100 59.027 -1.927 RESID 140 (I): CB 34.440 34.440 40.629 -6.189 RESID 140 (I): H 8.642 8.642 8.351 0.291 RESID 141 (V): N 133.000 133.000 125.186 7.814 RESID 141 (V): C 174.400 174.400 174.510 -0.110 RESID 141 (V): CA 61.060 61.060 61.142 -0.082 RESID 141 (V): CB 32.410 32.410 36.198 -3.788 RESID 141 (V): H 9.387 9.387 8.978 0.409 RESID 142 (S): N 122.900 122.900 120.099 2.801 RESID 142 (S): C 175.000 175.000 173.533 1.467 RESID 142 (S): CA 57.710 57.710 57.280 0.430 RESID 142 (S): CB 63.710 63.710 63.708 0.002 RESID 142 (S): H 8.490 8.490 8.385 0.105 RESID 143 (Y): N 123.400 123.400 126.077 -2.677 RESID 143 (Y): C 175.900 175.900 176.371 -0.471 RESID 143 (Y): CA 57.300 57.300 57.701 -0.401 RESID 143 (Y): CB 42.300 42.300 41.320 0.980 RESID 143 (Y): H 8.979 8.979 9.266 -0.287 RESID 144 (Q): N 119.500 119.500 120.057 -0.557 RESID 144 (Q): C 176.000 176.000 174.905 1.095 RESID 144 (Q): CA 56.490 56.490 55.897 0.593 RESID 144 (Q): CB 28.470 28.470 29.858 -1.388 RESID 144 (Q): H 8.974 8.974 8.743 0.231 RESID 145 (G): N 106.800 106.800 107.345 -0.545 RESID 145 (G): C 173.500 173.500 174.156 -0.656 RESID 145 (G): CA 44.300 44.300 44.317 -0.017 RESID 145 (G): H 7.531 7.531 7.861 -0.330 RESID 146 (Q): N 124.300 124.300 122.876 1.424 RESID 146 (Q): C 177.200 177.200 177.346 -0.146 RESID 146 (Q): CA 57.800 57.800 58.799 -0.999 RESID 146 (Q): CB 28.190 28.190 28.627 -0.437 RESID 146 (Q): H 8.949 8.949 8.859 0.090 RESID 147 (D): N 117.900 117.900 118.410 -0.510 RESID 147 (D): C 178.900 178.900 178.474 0.426 RESID 147 (D): CA 56.650 56.650 56.844 -0.194 RESID 147 (D): CB 38.890 38.890 39.742 -0.852 RESID 147 (D): H 8.746 8.746 8.783 -0.037 RESID 148 (N): N 117.500 117.500 117.768 -0.268 RESID 148 (N): C 176.700 176.700 177.315 -0.615 RESID 148 (N): CA 55.160 55.160 55.605 -0.445 RESID 148 (N): CB 38.700 38.700 38.102 0.598 RESID 148 (N): H 7.496 7.496 8.558 -1.062 RESID 149 (I): N 120.000 120.000 119.891 0.109 RESID 149 (I): C 177.400 177.400 177.522 -0.122 RESID 149 (I): CA 64.450 64.450 65.054 -0.604 RESID 149 (I): CB 35.900 35.900 37.579 -1.679 RESID 149 (I): H 6.793 6.793 7.178 -0.385 RESID 150 (Y): N 117.400 117.400 118.193 -0.793 RESID 150 (Y): C 178.800 178.800 178.062 0.738 RESID 150 (Y): CA 59.730 59.730 61.657 -1.927 RESID 150 (Y): CB 35.970 35.970 37.644 -1.673 RESID 150 (Y): H 6.897 6.897 7.386 -0.489 RESID 151 (S): N 117.000 117.000 114.897 2.103 RESID 151 (S): C 177.000 177.000 177.016 -0.016 RESID 151 (S): CA 61.300 61.300 61.683 -0.383 RESID 151 (S): CB 62.100 62.100 62.219 -0.119 RESID 151 (S): H 8.186 8.186 8.241 -0.055 RESID 152 (D): N 122.300 122.300 123.228 -0.928 RESID 152 (D): C 179.000 179.000 178.343 0.657 RESID 152 (D): CA 56.580 56.580 56.870 -0.290 RESID 152 (D): CB 38.240 38.240 40.375 -2.135 RESID 152 (D): H 7.541 7.541 7.710 -0.169 RESID 153 (L): N 124.100 124.100 121.162 2.938 RESID 153 (L): C 180.300 180.300 178.547 1.753 RESID 153 (L): CA 58.160 58.160 57.550 0.610 RESID 153 (L): CB 41.630 41.630 41.828 -0.198 RESID 153 (L): H 8.372 8.372 7.849 0.523 RESID 154 (T): N 111.900 111.900 113.390 -1.490 RESID 154 (T): C 176.700 176.700 175.374 1.326 RESID 154 (T): CA 63.920 63.920 65.434 -1.514 RESID 154 (T): CB 68.700 68.700 69.005 -0.305 RESID 154 (T): H 8.389 8.389 8.305 0.084 RESID 155 (A): N 121.800 121.800 120.147 1.653 RESID 155 (A): C 178.200 178.200 178.048 0.152 RESID 155 (A): CA 51.640 51.640 52.323 -0.683 RESID 155 (A): CB 18.990 18.990 19.419 -0.429 RESID 155 (A): H 7.444 7.444 7.072 0.372 RESID 156 (G): N 107.800 107.800 107.094 0.706 RESID 156 (G): C 175.100 175.100 175.342 -0.242 RESID 156 (G): CA 45.420 45.420 45.166 0.254 RESID 156 (G): H 7.921 7.921 8.022 -0.101 RESID 157 (R): N 119.000 119.000 119.182 -0.182 RESID 157 (R): C 176.600 176.600 175.737 0.863 RESID 157 (R): CA 57.260 57.260 57.583 -0.323 RESID 157 (R): CB 30.400 30.400 30.771 -0.371 RESID 157 (R): H 8.443 8.443 8.127 0.316 RESID 158 (I): N 108.900 108.900 112.897 -3.997 RESID 158 (I): C 173.700 173.700 174.294 -0.594 RESID 158 (I): CA 59.900 59.900 59.215 0.685 RESID 158 (I): CB 40.070 40.070 41.054 -0.984 RESID 158 (I): H 7.109 7.109 7.121 -0.012 RESID 159 (D): N 119.100 119.100 123.846 -4.746 RESID 159 (D): C 174.700 174.700 175.657 -0.957 RESID 159 (D): CA 55.900 55.900 56.311 -0.411 RESID 159 (D): CB 43.630 43.630 41.695 1.935 RESID 159 (D): H 8.737 8.737 8.481 0.256 RESID 160 (A): N 116.400 116.400 116.426 -0.026 RESID 160 (A): C 174.900 174.900 174.317 0.583 RESID 160 (A): CA 50.190 50.190 51.490 -1.300 RESID 160 (A): CB 23.030 23.030 21.334 1.696 RESID 160 (A): H 7.702 7.702 7.164 0.538 RESID 161 (A): N 123.400 123.400 121.772 1.628 RESID 161 (A): C 175.500 175.500 175.673 -0.173 RESID 161 (A): CA 49.730 49.730 50.299 -0.569 RESID 161 (A): CB 21.110 21.110 21.594 -0.484 RESID 161 (A): H 8.915 8.915 7.990 0.925 RESID 162 (F): N 125.100 125.100 122.620 2.480 RESID 162 (F): C 172.900 172.900 175.008 -2.108 RESID 162 (F): CA 54.500 54.500 58.229 -3.729 RESID 162 (F): CB 39.400 39.400 38.789 0.611 RESID 162 (F): H 8.971 8.971 8.463 0.508 RESID 163 (Q): N 124.600 124.600 123.364 1.236 RESID 163 (Q): C 173.400 173.400 173.703 -0.303 RESID 163 (Q): CA 53.550 53.550 53.636 -0.086 RESID 163 (Q): CB 34.390 34.390 33.146 1.244 RESID 163 (Q): H 7.904 7.904 8.307 -0.403 RESID 164 (D): N 122.300 122.300 121.217 1.083 RESID 164 (D): C 175.800 175.800 177.249 -1.449 RESID 164 (D): CA 55.540 55.540 54.475 1.065 RESID 164 (D): CB 42.370 42.370 42.043 0.327 RESID 164 (D): H 8.304 8.304 8.441 -0.137 RESID 165 (E): N 128.600 128.600 122.813 5.787 RESID 165 (E): C 177.700 177.700 178.112 -0.412 RESID 165 (E): CA 60.230 60.230 60.133 0.097 RESID 165 (E): CB 30.020 30.020 29.827 0.193 RESID 165 (E): H 8.605 8.605 8.760 -0.155 RESID 166 (V): N 120.100 120.100 118.852 1.248 RESID 166 (V): C 178.300 178.300 177.284 1.016 RESID 166 (V): CA 66.800 66.800 66.689 0.111 RESID 166 (V): CB 30.070 30.070 30.249 -0.179 RESID 166 (V): H 8.748 8.748 8.175 0.573 RESID 167 (A): N 123.200 123.200 120.050 3.150 RESID 167 (A): C 182.500 182.500 179.093 3.407 RESID 167 (A): CA 54.980 54.980 54.721 0.259 RESID 167 (A): CB 17.910 17.910 18.030 -0.120 RESID 167 (A): H 8.655 8.655 7.910 0.745 RESID 168 (A): N 121.300 121.300 122.163 -0.863 RESID 168 (A): C 179.800 179.800 179.735 0.065 RESID 168 (A): CA 54.180 54.180 54.535 -0.355 RESID 168 (A): CB 18.750 18.750 18.426 0.324 RESID 168 (A): H 8.349 8.349 7.891 0.458 RESID 169 (S): N 113.400 113.400 114.295 -0.895 RESID 169 (S): C 175.700 175.700 176.235 -0.535 RESID 169 (S): CA 61.050 61.050 62.818 -1.768 RESID 169 (S): CB 63.050 63.050 62.563 0.487 RESID 169 (S): H 8.058 8.058 8.189 -0.131 RESID 170 (E): N 115.600 115.600 120.330 -4.730 RESID 170 (E): C 178.800 178.800 177.382 1.418 RESID 170 (E): CA 57.610 57.610 58.073 -0.463 RESID 170 (E): CB 29.790 29.790 29.045 0.745 RESID 170 (E): H 8.824 8.824 7.852 0.972 RESID 171 (G): N 103.400 103.400 104.883 -1.483 RESID 171 (G): C 173.700 173.700 175.006 -1.306 RESID 171 (G): CA 44.970 44.970 45.262 -0.292 RESID 171 (G): H 8.154 8.154 7.341 0.813 RESID 172 (F): N 120.100 120.100 122.516 -2.416 RESID 172 (F): C 175.200 175.200 177.699 -2.499 RESID 172 (F): CA 60.690 60.690 61.129 -0.439 RESID 172 (F): CB 40.740 40.740 39.080 1.660 RESID 172 (F): H 7.297 7.297 8.343 -1.046 RESID 173 (L): N 117.800 117.800 117.768 0.032 RESID 173 (L): C 179.000 179.000 178.295 0.705 RESID 173 (L): CA 57.670 57.670 56.888 0.782 RESID 173 (L): CB 40.020 40.020 41.821 -1.801 RESID 173 (L): H 8.470 8.470 7.519 0.951 RESID 174 (K): N 114.600 114.600 116.416 -1.816 RESID 174 (K): C 176.900 176.900 176.357 0.543 RESID 174 (K): CA 56.450 56.450 57.255 -0.805 RESID 174 (K): CB 31.770 31.770 32.655 -0.885 RESID 174 (K): H 8.018 8.018 7.544 0.474 RESID 175 (Q): N 118.800 118.800 117.111 1.689 RESID 175 (Q): C 176.000 176.000 173.956 2.044 RESID 175 (Q): CA 52.510 52.510 52.226 0.284 RESID 175 (Q): CB 26.740 26.740 29.803 -3.063 RESID 175 (Q): H 7.151 7.151 7.295 -0.144 RESID 176 (P): C 179.300 179.300 177.353 1.947 RESID 176 (P): CA 66.100 66.100 65.432 0.668 RESID 176 (P): CB 30.720 30.720 31.544 -0.824 RESID 177 (V): N 112.300 112.300 117.191 -4.891 RESID 177 (V): C 175.900 175.900 177.911 -2.011 RESID 177 (V): CA 62.860 62.860 65.963 -3.103 RESID 177 (V): CB 30.660 30.660 30.589 0.071 RESID 177 (V): H 7.480 7.480 7.706 -0.226 RESID 178 (G): N 109.700 109.700 105.741 3.959 RESID 178 (G): C 175.000 175.000 174.799 0.201 RESID 178 (G): CA 44.080 44.080 46.222 -2.142 RESID 178 (G): H 7.173 7.173 7.883 -0.710 RESID 179 (K): N 120.900 120.900 119.095 1.805 RESID 179 (K): C 177.100 177.100 177.663 -0.563 RESID 179 (K): CA 58.360 58.360 58.453 -0.093 RESID 179 (K): CB 31.260 31.260 32.287 -1.027 RESID 179 (K): H 6.972 6.972 7.353 -0.381 RESID 180 (D): N 117.200 117.200 117.243 -0.043 RESID 180 (D): C 173.900 173.900 175.847 -1.947 RESID 180 (D): CA 53.920 53.920 55.863 -1.943 RESID 180 (D): CB 39.690 39.690 41.361 -1.671 RESID 180 (D): H 8.036 8.036 7.450 0.586 RESID 181 (Y): N 120.500 120.500 114.938 5.562 RESID 181 (Y): C 172.300 172.300 173.464 -1.164 RESID 181 (Y): CA 57.890 57.890 57.738 0.152 RESID 181 (Y): CB 41.860 41.860 42.351 -0.491 RESID 181 (Y): H 7.768 7.768 7.425 0.343 RESID 182 (K): N 116.900 116.900 118.639 -1.739 RESID 182 (K): C 174.900 174.900 174.267 0.633 RESID 182 (K): CA 54.330 54.330 56.468 -2.138 RESID 182 (K): CB 35.610 35.610 33.346 2.264 RESID 182 (K): H 9.497 9.497 8.847 0.650 RESID 183 (F): N 117.900 117.900 122.218 -4.318 RESID 183 (F): C 177.800 177.800 174.977 2.823 RESID 183 (F): CA 56.780 56.780 58.099 -1.319 RESID 183 (F): CB 38.320 38.320 42.850 -4.530 RESID 183 (F): H 8.470 8.470 7.862 0.608 RESID 184 (G): N 113.700 113.700 109.379 4.321 RESID 184 (G): C 173.300 173.300 174.706 -1.406 RESID 184 (G): CA 46.900 46.900 45.012 1.888 RESID 184 (G): H 9.107 9.107 8.848 0.259 RESID 185 (G): N 111.000 111.000 110.218 0.782 RESID 185 (G): C 171.100 171.100 172.903 -1.803 RESID 185 (G): CA 44.530 44.530 45.572 -1.042 RESID 185 (G): H 7.702 7.702 8.481 -0.779 RESID 186 (P): C 175.500 175.500 176.200 -0.700 RESID 186 (P): CA 61.920 61.920 64.450 -2.530 RESID 186 (P): CB 32.640 32.640 31.848 0.792 RESID 187 (S): N 113.500 113.500 119.687 -6.187 RESID 187 (S): C 173.500 173.500 173.664 -0.164 RESID 187 (S): CA 57.930 57.930 57.471 0.459 RESID 187 (S): CB 63.260 63.260 65.776 -2.516 RESID 187 (S): H 8.452 8.452 8.362 0.090 RESID 188 (V): N 123.300 123.300 122.214 1.086 RESID 188 (V): C 173.900 173.900 173.734 0.166 RESID 188 (V): CA 61.800 61.800 61.796 0.004 RESID 188 (V): CB 32.680 32.680 34.151 -1.471 RESID 188 (V): H 9.080 9.080 7.917 1.163 RESID 189 (K): N 125.200 125.200 121.877 3.323 RESID 189 (K): C 176.700 176.700 174.084 2.616 RESID 189 (K): CA 54.680 54.680 56.262 -1.582 RESID 189 (K): CB 33.780 33.780 34.420 -0.640 RESID 189 (K): H 8.123 8.123 8.173 -0.050 RESID 190 (D): N 120.300 120.300 122.096 -1.796 RESID 190 (D): C 175.300 175.300 176.892 -1.592 RESID 190 (D): CA 55.610 55.610 53.422 2.188 RESID 190 (D): CB 42.620 42.620 40.422 2.198 RESID 190 (D): H 8.823 8.823 8.291 0.532 RESID 191 (E): N 129.100 129.100 126.610 2.490 RESID 191 (E): C 177.300 177.300 177.562 -0.262 RESID 191 (E): CA 59.310 59.310 58.478 0.832 RESID 191 (E): CB 28.420 28.420 29.527 -1.107 RESID 191 (E): H 9.239 9.239 8.849 0.390 RESID 192 (K): N 118.000 118.000 119.292 -1.292 RESID 192 (K): C 178.200 178.200 178.130 0.070 RESID 192 (K): CA 58.140 58.140 58.934 -0.794 RESID 192 (K): CB 31.690 31.690 32.149 -0.459 RESID 192 (K): H 7.918 7.918 8.777 -0.859 RESID 193 (L): N 118.200 118.200 118.046 0.154 RESID 193 (L): C 177.700 177.700 177.709 -0.009 RESID 193 (L): CA 55.790 55.790 56.990 -1.200 RESID 193 (L): CB 42.330 42.330 42.058 0.272 RESID 193 (L): H 8.362 8.362 7.143 1.219 RESID 194 (F): N 116.800 116.800 113.502 3.298 RESID 194 (F): C 178.200 178.200 175.825 2.375 RESID 194 (F): CA 54.620 54.620 57.317 -2.697 RESID 194 (F): CB 37.390 37.390 39.786 -2.396 RESID 194 (F): H 8.036 8.036 7.300 0.736 RESID 195 (G): N 106.900 106.900 108.872 -1.972 RESID 195 (G): C 174.200 174.200 174.587 -0.387 RESID 195 (G): CA 44.120 44.120 44.930 -0.810 RESID 195 (G): H 7.510 7.510 7.645 -0.135 RESID 196 (V): N 112.400 112.400 123.828 -11.428 RESID 196 (V): C 175.300 175.300 175.828 -0.528 RESID 196 (V): CA 60.720 60.720 64.016 -3.296 RESID 196 (V): CB 30.630 30.630 32.161 -1.531 RESID 196 (V): H 8.064 8.064 8.336 -0.272 RESID 197 (G): N 108.100 108.100 105.227 2.873 RESID 197 (G): C 172.300 172.300 172.024 0.276 RESID 197 (G): CA 43.210 43.210 45.279 -2.069 RESID 197 (G): H 7.788 7.788 7.254 0.534 RESID 198 (T): N 109.200 109.200 113.468 -4.268 RESID 198 (T): C 172.800 172.800 173.170 -0.370 RESID 198 (T): CA 59.090 59.090 59.344 -0.254 RESID 198 (T): CB 71.080 71.080 71.325 -0.245 RESID 198 (T): H 7.796 7.796 7.970 -0.174 RESID 199 (G): N 103.900 103.900 108.374 -4.474 RESID 199 (G): C 171.800 171.800 172.541 -0.741 RESID 199 (G): CA 43.840 43.840 45.533 -1.693 RESID 199 (G): H 7.928 7.928 7.839 0.089 RESID 200 (M): N 121.400 121.400 119.983 1.417 RESID 200 (M): C 176.200 176.200 176.077 0.123 RESID 200 (M): CA 55.260 55.260 55.141 0.119 RESID 200 (M): CB 33.390 33.390 35.243 -1.853 RESID 200 (M): H 7.971 7.971 8.367 -0.396 RESID 201 (G): N 112.200 112.200 110.621 1.579 RESID 201 (G): C 172.000 172.000 172.650 -0.650 RESID 201 (G): CA 44.540 44.540 44.337 0.203 RESID 201 (G): H 8.818 8.818 8.326 0.492 RESID 202 (L): N 124.700 124.700 124.666 0.034 RESID 202 (L): C 176.000 176.000 175.854 0.146 RESID 202 (L): CA 53.740 53.740 52.830 0.910 RESID 202 (L): CB 46.010 46.010 46.214 -0.204 RESID 202 (L): H 8.767 8.767 8.623 0.144 RESID 203 (R): N 121.600 121.600 120.144 1.456 RESID 203 (R): C 180.400 180.400 177.906 2.494 RESID 203 (R): CA 57.130 57.130 55.492 1.638 RESID 203 (R): CB 29.650 29.650 31.312 -1.662 RESID 203 (R): H 10.270 10.270 8.260 2.010 RESID 204 (K): N 123.200 123.200 124.663 -1.463 RESID 204 (K): C 178.200 178.200 177.528 0.672 RESID 204 (K): CA 59.570 59.570 59.715 -0.145 RESID 204 (K): CB 31.840 31.840 32.071 -0.231 RESID 204 (K): H 9.231 9.231 8.660 0.571 RESID 205 (E): N 113.800 113.800 117.175 -3.375 RESID 205 (E): C 177.700 177.700 177.937 -0.237 RESID 205 (E): CA 57.230 57.230 58.282 -1.052 RESID 205 (E): CB 27.770 27.770 28.923 -1.153 RESID 205 (E): H 9.026 9.026 8.223 0.803 RESID 206 (D): N 126.000 126.000 120.753 5.247 RESID 206 (D): C 177.300 177.300 176.500 0.800 RESID 206 (D): CA 53.710 53.710 53.662 0.048 RESID 206 (D): CB 37.530 37.530 38.698 -1.168 RESID 206 (D): H 7.253 7.253 8.025 -0.772 RESID 207 (N): N 120.100 120.100 120.421 -0.321 RESID 207 (N): C 176.900 176.900 177.008 -0.108 RESID 207 (N): CA 56.950 56.950 56.416 0.534 RESID 207 (N): CB 38.820 38.820 38.898 -0.078 RESID 207 (N): H 7.839 7.839 8.726 -0.887 RESID 208 (E): N 120.500 120.500 118.981 1.519 RESID 208 (E): C 179.900 179.900 178.469 1.431 RESID 208 (E): CA 59.870 59.870 58.984 0.886 RESID 208 (E): CB 27.630 27.630 29.443 -1.813 RESID 208 (E): H 8.776 8.776 8.318 0.458 RESID 209 (L): N 122.900 122.900 120.409 2.491 RESID 209 (L): C 177.100 177.100 178.210 -1.110 RESID 209 (L): CA 57.400 57.400 57.525 -0.125 RESID 209 (L): CB 40.660 40.660 41.859 -1.199 RESID 209 (L): H 8.366 8.366 7.846 0.520 RESID 210 (R): N 119.100 119.100 118.826 0.274 RESID 210 (R): C 177.400 177.400 178.205 -0.805 RESID 210 (R): CA 59.970 59.970 59.764 0.206 RESID 210 (R): CB 30.110 30.110 30.020 0.090 RESID 210 (R): H 7.582 7.582 8.340 -0.758 RESID 211 (E): N 116.200 116.200 119.204 -3.004 RESID 211 (E): C 179.800 179.800 178.531 1.269 RESID 211 (E): CA 59.150 59.150 59.263 -0.113 RESID 211 (E): CB 28.600 28.600 29.581 -0.981 RESID 211 (E): H 8.407 8.407 7.880 0.527 RESID 212 (A): N 123.500 123.500 122.698 0.802 RESID 212 (A): C 181.300 181.300 179.645 1.655 RESID 212 (A): CA 54.810 54.810 54.709 0.101 RESID 212 (A): CB 17.170 17.170 18.143 -0.973 RESID 212 (A): H 8.128 8.128 7.565 0.563 RESID 213 (L): N 121.200 121.200 119.677 1.523 RESID 213 (L): C 178.400 178.400 179.645 -1.245 RESID 213 (L): CA 57.710 57.710 58.166 -0.456 RESID 213 (L): CB 41.450 41.450 41.136 0.314 RESID 213 (L): H 8.364 8.364 8.111 0.253 RESID 214 (N): N 119.200 119.200 116.404 2.796 RESID 214 (N): C 179.700 179.700 177.847 1.853 RESID 214 (N): CA 55.260 55.260 55.876 -0.616 RESID 214 (N): CB 37.120 37.120 37.923 -0.803 RESID 214 (N): H 8.435 8.435 8.383 0.052 RESID 215 (K): N 123.800 123.800 121.345 2.455 RESID 215 (K): C 178.400 178.400 178.520 -0.120 RESID 215 (K): CA 59.090 59.090 59.388 -0.298 RESID 215 (K): CB 31.740 31.740 32.483 -0.743 RESID 215 (K): H 8.080 8.080 8.424 -0.344 RESID 216 (A): N 122.200 122.200 121.751 0.449 RESID 216 (A): C 179.500 179.500 179.509 -0.009 RESID 216 (A): CA 54.140 54.140 54.882 -0.742 RESID 216 (A): CB 18.700 18.700 18.274 0.426 RESID 216 (A): H 7.935 7.935 8.317 -0.382 RESID 217 (F): N 119.500 119.500 120.139 -0.639 RESID 217 (F): C 177.200 177.200 176.985 0.215 RESID 217 (F): CA 61.390 61.390 60.290 1.100 RESID 217 (F): CB 38.000 38.000 39.068 -1.068 RESID 217 (F): H 8.916 8.916 8.325 0.591 RESID 218 (A): N 121.300 121.300 121.205 0.095 RESID 218 (A): C 182.100 182.100 179.677 2.423 RESID 218 (A): CA 54.810 54.810 55.203 -0.393 RESID 218 (A): CB 16.650 16.650 17.993 -1.343 RESID 218 (A): H 7.956 7.956 8.153 -0.197 RESID 219 (E): N 120.000 120.000 119.041 0.959 RESID 219 (E): C 178.600 178.600 179.006 -0.406 RESID 219 (E): CA 59.040 59.040 59.308 -0.268 RESID 219 (E): CB 28.320 28.320 29.485 -1.165 RESID 219 (E): H 7.952 7.952 7.842 0.110 RESID 220 (M): N 120.900 120.900 118.243 2.657 RESID 220 (M): C 179.000 179.000 178.603 0.397 RESID 220 (M): CA 57.430 57.430 59.555 -2.125 RESID 220 (M): CB 32.620 32.620 32.433 0.187 RESID 220 (M): H 8.190 8.190 8.161 0.029 RESID 221 (R): N 119.200 119.200 118.359 0.841 RESID 221 (R): C 179.300 179.300 178.889 0.411 RESID 221 (R): CA 58.710 58.710 58.928 -0.218 RESID 221 (R): CB 27.480 27.480 29.860 -2.380 RESID 221 (R): H 7.762 7.762 7.517 0.245 RESID 222 (A): N 122.500 122.500 122.089 0.411 RESID 222 (A): C 179.300 179.300 178.924 0.376 RESID 222 (A): CA 54.180 54.180 54.622 -0.442 RESID 222 (A): CB 18.030 18.030 18.551 -0.521 RESID 222 (A): H 7.838 7.838 7.743 0.095 RESID 223 (D): N 115.100 115.100 114.629 0.471 RESID 223 (D): C 177.900 177.900 177.266 0.634 RESID 223 (D): CA 53.020 53.020 53.135 -0.115 RESID 223 (D): CB 39.570 39.570 40.399 -0.829 RESID 223 (D): H 8.091 8.091 7.979 0.112 RESID 224 (G): N 106.700 106.700 108.941 -2.241 RESID 224 (G): C 176.000 176.000 175.994 0.006 RESID 224 (G): CA 45.070 45.070 46.344 -1.274 RESID 224 (G): H 7.199 7.199 7.513 -0.314 RESID 225 (T): N 122.400 122.400 117.119 5.281 RESID 225 (T): C 175.700 175.700 175.348 0.352 RESID 225 (T): CA 67.610 67.610 67.814 -0.204 RESID 225 (T): CB 66.840 66.840 68.758 -1.918 RESID 225 (T): H 9.095 9.095 8.732 0.363 RESID 226 (Y): N 121.500 121.500 121.721 -0.221 RESID 226 (Y): C 176.000 176.000 176.899 -0.899 RESID 226 (Y): CA 62.530 62.530 62.337 0.193 RESID 226 (Y): CB 38.410 38.410 38.335 0.075 RESID 226 (Y): H 8.040 8.040 7.647 0.393 RESID 227 (E): N 118.200 118.200 118.708 -0.508 RESID 227 (E): C 178.200 178.200 178.692 -0.492 RESID 227 (E): CA 58.940 58.940 59.475 -0.535 RESID 227 (E): CB 28.810 28.810 29.120 -0.310 RESID 227 (E): H 8.153 8.153 8.587 -0.434 RESID 228 (K): N 119.100 119.100 120.363 -1.263 RESID 228 (K): C 179.500 179.500 179.064 0.436 RESID 228 (K): CA 59.260 59.260 59.493 -0.233 RESID 228 (K): CB 31.520 31.520 32.418 -0.898 RESID 228 (K): H 7.558 7.558 8.383 -0.825 RESID 229 (L): N 119.100 119.100 119.375 -0.275 RESID 229 (L): C 179.300 179.300 178.812 0.488 RESID 229 (L): CA 56.970 56.970 57.699 -0.729 RESID 229 (L): CB 41.520 41.520 41.867 -0.347 RESID 229 (L): H 8.055 8.055 8.052 0.003 RESID 230 (A): N 121.200 121.200 122.163 -0.963 RESID 230 (A): C 180.500 180.500 179.248 1.252 RESID 230 (A): CA 54.890 54.890 55.537 -0.647 RESID 230 (A): CB 17.570 17.570 17.715 -0.145 RESID 230 (A): H 8.901 8.901 8.331 0.570 RESID 231 (K): N 117.200 117.200 118.332 -1.132 RESID 231 (K): C 177.700 177.700 178.449 -0.749 RESID 231 (K): CA 57.370 57.370 58.899 -1.529 RESID 231 (K): CB 31.330 31.330 32.313 -0.983 RESID 231 (K): H 8.062 8.062 8.084 -0.022 RESID 232 (K): N 117.600 117.600 117.160 0.440 RESID 232 (K): C 176.800 176.800 179.163 -2.363 RESID 232 (K): CA 57.890 57.890 58.703 -0.813 RESID 232 (K): CB 31.150 31.150 32.644 -1.494 RESID 232 (K): H 7.053 7.053 7.420 -0.367 RESID 233 (Y): N 114.000 114.000 117.059 -3.059 RESID 233 (Y): C 175.100 175.100 175.799 -0.699 RESID 233 (Y): CA 58.110 58.110 61.220 -3.110 RESID 233 (Y): CB 39.360 39.360 38.895 0.465 RESID 233 (Y): H 7.013 7.013 7.932 -0.919 RESID 234 (F): N 116.400 116.400 113.558 2.842 RESID 234 (F): C 175.800 175.800 173.445 2.355 RESID 234 (F): CA 54.920 54.920 56.642 -1.722 RESID 234 (F): CB 41.260 41.260 42.812 -1.552 RESID 234 (F): H 8.038 8.038 8.173 -0.135 RESID 235 (D): N 123.000 123.000 120.665 2.335 RESID 235 (D): C 174.500 174.500 174.793 -0.293 RESID 235 (D): CA 52.680 52.680 53.296 -0.616 RESID 235 (D): CB 39.860 39.860 39.084 0.776 RESID 235 (D): H 8.879 8.879 8.589 0.290 RESID 236 (F): N 115.500 115.500 120.635 -5.135 RESID 236 (F): C 173.600 173.600 173.647 -0.047 RESID 236 (F): CA 53.950 53.950 56.667 -2.717 RESID 236 (F): CB 39.860 39.860 39.829 0.031 RESID 236 (F): H 6.793 6.793 7.422 -0.629 RESID 237 (D): N 119.700 119.700 121.812 -2.112 RESID 237 (D): C 175.800 175.800 177.122 -1.322 RESID 237 (D): CA 52.980 52.980 52.645 0.335 RESID 237 (D): CB 39.210 39.210 41.935 -2.725 RESID 237 (D): H 8.831 8.831 8.608 0.223 RESID 238 (V): N 129.900 129.900 122.550 7.350 RESID 238 (V): C 175.200 175.200 176.666 -1.466 RESID 238 (V): CA 61.840 61.840 65.085 -3.245 RESID 238 (V): CB 32.500 32.500 31.906 0.594 RESID 238 (V): H 7.376 7.376 8.343 -0.967 RESID 239 (Y): N 123.500 123.500 119.159 4.341 RESID 239 (Y): C 176.500 176.500 178.512 -2.012 RESID 239 (Y): CA 61.920 61.920 61.122 0.798 RESID 239 (Y): CB 38.010 38.010 37.761 0.249 RESID 239 (Y): H 8.314 8.314 7.807 0.507 RESID 240 (G): N 104.100 104.100 104.373 -0.273 RESID 240 (G): C 174.600 174.600 174.898 -0.298 RESID 240 (G): CA 45.930 45.930 45.320 0.610 RESID 240 (G): H 7.428 7.428 8.419 -0.991 N HA C CA CB H RESID 6 (P): ----- ----- -1.411 -0.815 -0.473 ----- RESID 7 (Q): -1.931 ----- 0.102 -1.092 -0.718 -0.282 RESID 8 (N): 1.901 ----- -0.288 -0.672 -1.345 -0.348 RESID 9 (I): -2.406 ----- -0.202 -0.702 0.197 -0.729 RESID 10 (R): -1.307 ----- 0.742 -1.797 -0.256 0.456 RESID 11 (I): 3.229 ----- 0.273 0.159 -4.015 0.260 RESID 12 (G): 0.411 ----- -1.399 0.234 ----- 0.854 RESID 13 (T): -0.821 ----- 8.552 -0.598 -1.698 0.665 RESID 14 (D): -0.750 ----- 2.839 -0.472 -1.674 -0.470 RESID 15 (P): ----- ----- -1.145 -1.392 -4.461 ----- RESID 16 (T): 5.604 ----- 0.781 -2.456 -1.195 0.469 RESID 17 (Y): 3.906 ----- -0.455 -1.927 0.253 0.897 RESID 18 (A): 2.425 ----- -0.461 -4.584 -0.186 0.019 RESID 19 (P): ----- ----- -4.318 -2.355 0.194 ----- RESID 20 (F): 7.735 ----- 1.611 2.733 -3.088 -0.139 RESID 21 (E): -2.753 ----- -0.826 -0.806 -5.385 -0.773 RESID 22 (S): 4.083 ----- -0.784 -1.282 -1.220 0.446 RESID 23 (K): -2.075 ----- 2.562 -1.680 -1.799 -0.011 RESID 24 (N): 1.250 ----- 0.957 -1.399 -1.895 0.001 RESID 25 (S): ----- ----- 0.027 -0.022 -0.204 ----- RESID 26 (Q): -0.166 ----- -0.536 -0.411 -0.483 -0.384 RESID 27 (G): 1.098 ----- -0.362 0.001 ----- 0.280 RESID 28 (E): 0.400 ----- 0.169 -1.482 -0.852 -0.222 RESID 29 (L): 2.318 ----- 0.436 0.600 -1.659 -0.058 RESID 30 (V): -4.187 ----- 1.724 -1.743 0.097 1.016 RESID 31 (G): -0.638 ----- 0.894 -1.389 ----- 1.117 RESID 32 (F): -2.755 ----- 2.007 -0.642 -0.322 0.126 RESID 33 (D): -2.467 ----- 0.988 -0.082 -1.798 1.372 RESID 34 (I): -1.016 ----- 0.047 -3.389 -4.291 -0.366 RESID 35 (D): 0.640 ----- 1.616 -0.306 0.135 0.775 RESID 36 (L): -0.387 ----- 0.501 -0.033 0.658 1.299 RESID 37 (A): -1.690 ----- -0.948 -0.123 -1.097 0.747 RESID 38 (K): -2.905 ----- 0.941 0.544 -0.510 0.617 RESID 39 (E): 2.183 ----- -1.084 -0.888 -1.514 -0.096 RESID 40 (L): 1.129 ----- -0.122 0.226 -1.506 0.673 RESID 41 (C): -2.845 ----- -1.666 -0.383 21.417 -0.118 RESID 42 (K): -0.301 ----- 1.639 -0.646 -0.927 -0.572 RESID 43 (R): 1.412 ----- 0.024 0.285 -0.230 0.504 RESID 44 (I): -5.739 ----- -0.829 -2.177 -1.551 -0.706 RESID 45 (N): 3.100 ----- -0.339 -0.948 0.701 -0.288 RESID 46 (T): 7.097 ----- 0.294 -0.291 -1.325 -0.038 RESID 47 (Q): 3.561 ----- 0.813 -0.552 -1.889 -0.271 RESID 48 (C): -0.362 ----- -0.637 -4.660 17.836 0.214 RESID 49 (T): -1.944 ----- 0.190 -1.028 -0.147 -0.513 RESID 50 (F): -2.028 ----- -0.091 0.047 0.417 0.381 RESID 51 (V): 2.656 ----- -0.019 0.015 -1.768 0.202 RESID 52 (E): -2.027 ----- 1.821 -3.147 -0.932 -0.179 RESID 53 (N): 7.444 ----- -1.880 0.162 5.310 0.778 RESID 54 (P): ----- ----- -0.178 -0.687 -1.427 ----- RESID 55 (L): 0.015 ----- 0.882 -1.115 0.103 0.297 RESID 56 (D): -3.640 ----- -0.822 -0.780 -0.536 0.123 RESID 57 (A): 0.474 ----- 1.049 -2.187 -0.482 -0.268 RESID 58 (L): 1.216 ----- -0.963 0.901 -1.712 -0.284 RESID 59 (I): 0.082 ----- 1.228 1.651 -0.702 1.329 RESID 60 (P): ----- ----- 0.890 -0.617 -1.272 ----- RESID 61 (S): -0.131 ----- -1.182 0.218 ----- -0.320 RESID 62 (L): 3.145 ----- 1.967 -0.358 0.007 0.171 RESID 63 (K): 1.872 ----- -0.266 0.238 -1.695 0.747 RESID 64 (A): 0.153 ----- -0.453 -0.221 -0.284 -0.201 RESID 65 (K): -1.790 ----- -0.477 -0.176 -2.170 0.060 RESID 66 (K): 2.873 ----- -0.537 -1.263 -0.841 0.589 RESID 67 (I): -5.073 ----- -1.400 0.002 -0.557 -0.225 RESID 68 (D): -3.399 ----- -3.756 0.269 1.684 1.185 RESID 69 (A): -1.003 ----- 1.099 -1.071 -0.201 -0.124 RESID 70 (I): -0.280 ----- 0.068 -0.574 0.273 1.316 RESID 71 (M): -0.391 ----- -1.487 -2.026 -0.162 0.194 RESID 72 (S): 1.684 ----- -0.984 0.902 -0.660 0.078 RESID 73 (S): 4.980 ----- 0.026 -0.981 0.140 -0.076 RESID 74 (L): -3.668 ----- -0.571 -1.339 -0.542 1.331 RESID 75 (S): 2.249 ----- 0.814 2.232 -1.669 0.272 RESID 76 (I): 9.455 ----- 0.919 1.791 -3.863 0.053 RESID 77 (T): 3.209 ----- -0.283 -2.216 -0.747 -1.006 RESID 78 (E): -0.378 ----- 1.605 -1.730 -0.636 0.007 RESID 79 (K): 0.082 ----- 1.541 -0.300 -0.691 0.043 RESID 80 (R): -0.344 ----- 0.144 0.357 0.285 0.271 RESID 81 (Q): -0.647 ----- -2.298 -1.428 0.293 0.133 RESID 82 (Q): -2.330 ----- -0.422 -1.043 -0.574 -0.632 RESID 83 (E): -2.119 ----- -0.917 -1.403 1.901 -0.297 RESID 84 (I): 3.207 ----- -1.344 0.470 -0.666 0.289 RESID 85 (A): 0.216 ----- -0.234 -1.105 0.787 0.246 RESID 86 (F): -3.452 ----- 2.975 -1.031 0.267 -0.328 RESID 87 (T): -6.673 ----- 0.899 0.850 2.616 -0.463 RESID 88 (D): -2.093 ----- -1.337 -0.783 1.045 -0.026 RESID 89 (K): 1.522 ----- -0.503 -1.714 0.280 -0.033 RESID 90 (L): -2.972 ----- 0.285 -2.880 -1.569 0.065 RESID 91 (Y): 0.525 ----- -1.097 0.562 -2.874 -0.360 RESID 92 (A): 0.522 ----- -1.168 0.854 0.747 -0.955 RESID 93 (A): -0.834 ----- -0.951 0.341 -0.115 0.339 RESID 94 (D): 1.170 ----- -0.831 -1.216 -0.249 0.747 RESID 95 (S): -1.861 ----- -1.467 0.480 -0.096 -1.033 RESID 96 (R): 4.538 ----- -0.155 1.555 -0.277 0.396 RESID 97 (L): -1.023 ----- 1.676 0.347 -1.757 1.288 RESID 98 (V): 0.861 ----- 0.699 0.914 0.468 1.464 RESID 99 (V): -5.375 ----- 0.731 -0.279 1.249 1.015 RESID 100 (A): 0.798 ----- 0.761 2.049 -1.834 0.673 RESID 101 (K): -4.022 ----- -0.228 0.385 -0.505 -1.073 RESID 102 (N): -1.142 ----- 0.264 -2.306 -1.617 -0.250 RESID 103 (S): 0.138 ----- 2.718 0.698 0.397 0.109 RESID 104 (D): -0.766 ----- 1.528 -1.020 -0.549 0.007 RESID 105 (I): -1.972 ----- -0.815 3.011 -3.009 -0.365 RESID 106 (Q): -0.458 ----- 0.866 -0.694 1.211 -0.323 RESID 107 (P): ----- ----- -0.497 -1.780 -4.161 ----- RESID 108 (T): -3.121 ----- -0.379 -3.937 -0.954 0.860 RESID 109 (V): -1.438 ----- 0.364 0.855 -2.192 0.293 RESID 110 (E): -3.945 ----- -0.271 -0.869 -0.878 0.027 RESID 111 (S): -0.213 ----- 0.583 -1.610 1.221 -1.057 RESID 112 (L): -4.320 ----- -0.003 -0.799 0.097 0.346 RESID 113 (K): 1.825 ----- 0.692 0.619 -1.412 -0.287 RESID 114 (G): 0.968 ----- -0.596 -0.118 ----- 0.096 RESID 115 (K): -1.151 ----- -1.325 -1.056 -1.268 0.666 RESID 116 (R): -1.514 ----- 0.581 -1.035 0.523 0.990 RESID 117 (V): 2.875 ----- 0.357 -0.136 -1.967 0.635 RESID 118 (G): 0.365 ----- -0.230 1.377 ----- 1.295 RESID 119 (V): -5.984 ----- 0.071 -2.178 -0.622 -0.132 RESID 120 (L): 0.244 ----- 1.239 -0.278 -1.399 0.138 RESID 121 (Q): 0.813 ----- -0.339 -0.417 -1.615 0.307 RESID 122 (G): 0.066 ----- 1.538 -0.238 ----- 0.655 RESID 123 (T): -1.712 ----- 2.388 0.254 2.897 -0.520 RESID 124 (T): 1.315 ----- 1.571 -0.732 -0.963 0.276 RESID 125 (Q): -1.799 ----- 0.195 1.921 -2.731 -0.757 RESID 126 (E): 2.132 ----- -1.294 -0.203 -0.908 -0.091 RESID 127 (T): 1.580 ----- -0.180 -0.477 -1.134 0.557 RESID 128 (F): -0.070 ----- 0.463 0.860 -0.119 0.263 RESID 129 (G): -0.134 ----- -0.379 -0.524 ----- -0.265 RESID 130 (N): 4.544 ----- 0.363 0.058 -0.626 0.343 RESID 131 (E): 2.276 ----- 0.802 1.235 -1.411 0.422 RESID 132 (H): -6.042 ----- 0.349 -1.887 0.706 -0.004 RESID 133 (W): 1.870 ----- 0.612 -0.972 0.669 0.151 RESID 134 (A): 0.749 ----- 0.475 0.773 -0.812 1.178 RESID 135 (P): ----- ----- -0.196 0.316 -0.184 ----- RESID 136 (K): -0.420 ----- -1.131 -2.400 -0.607 -0.468 RESID 137 (G): -2.239 ----- 0.776 0.367 ----- 0.200 RESID 138 (I): 5.020 ----- -0.387 0.343 -1.749 -0.587 RESID 139 (E): 1.144 ----- -1.193 0.452 -1.751 -0.101 RESID 140 (I): 7.920 ----- 1.350 -1.927 -6.189 0.291 RESID 141 (V): 7.814 ----- -0.110 -0.082 -3.788 0.409 RESID 142 (S): 2.801 ----- 1.467 0.430 0.002 0.105 RESID 143 (Y): -2.677 ----- -0.471 -0.401 0.980 -0.287 RESID 144 (Q): -0.557 ----- 1.095 0.593 -1.388 0.231 RESID 145 (G): -0.545 ----- -0.656 -0.017 ----- -0.330 RESID 146 (Q): 1.424 ----- -0.146 -0.999 -0.437 0.090 RESID 147 (D): -0.510 ----- 0.426 -0.194 -0.852 -0.037 RESID 148 (N): -0.268 ----- -0.615 -0.445 0.598 -1.062 RESID 149 (I): 0.109 ----- -0.122 -0.604 -1.679 -0.385 RESID 150 (Y): -0.793 ----- 0.738 -1.927 -1.673 -0.489 RESID 151 (S): 2.103 ----- -0.016 -0.383 -0.119 -0.055 RESID 152 (D): -0.928 ----- 0.657 -0.290 -2.135 -0.169 RESID 153 (L): 2.938 ----- 1.753 0.610 -0.198 0.523 RESID 154 (T): -1.490 ----- 1.326 -1.514 -0.305 0.084 RESID 155 (A): 1.653 ----- 0.152 -0.683 -0.429 0.372 RESID 156 (G): 0.706 ----- -0.242 0.254 ----- -0.101 RESID 157 (R): -0.182 ----- 0.863 -0.323 -0.371 0.316 RESID 158 (I): -3.997 ----- -0.594 0.685 -0.984 -0.012 RESID 159 (D): -4.746 ----- -0.957 -0.411 1.935 0.256 RESID 160 (A): -0.026 ----- 0.583 -1.300 1.696 0.538 RESID 161 (A): 1.628 ----- -0.173 -0.569 -0.484 0.925 RESID 162 (F): 2.480 ----- -2.108 -3.729 0.611 0.508 RESID 163 (Q): 1.236 ----- -0.303 -0.086 1.244 -0.403 RESID 164 (D): 1.083 ----- -1.449 1.065 0.327 -0.137 RESID 165 (E): 5.787 ----- -0.412 0.097 0.193 -0.155 RESID 166 (V): 1.248 ----- 1.016 0.111 -0.179 0.573 RESID 167 (A): 3.150 ----- 3.407 0.259 -0.120 0.745 RESID 168 (A): -0.863 ----- 0.065 -0.355 0.324 0.458 RESID 169 (S): -0.895 ----- -0.535 -1.768 0.487 -0.131 RESID 170 (E): -4.730 ----- 1.418 -0.463 0.745 0.972 RESID 171 (G): -1.483 ----- -1.306 -0.292 ----- 0.813 RESID 172 (F): -2.416 ----- -2.499 -0.439 1.660 -1.046 RESID 173 (L): 0.032 ----- 0.705 0.782 -1.801 0.951 RESID 174 (K): -1.816 ----- 0.543 -0.805 -0.885 0.474 RESID 175 (Q): 1.689 ----- 2.044 0.284 -3.063 -0.144 RESID 176 (P): ----- ----- 1.947 0.668 -0.824 ----- RESID 177 (V): -4.891 ----- -2.011 -3.103 0.071 -0.226 RESID 178 (G): 3.959 ----- 0.201 -2.142 ----- -0.710 RESID 179 (K): 1.805 ----- -0.563 -0.093 -1.027 -0.381 RESID 180 (D): -0.043 ----- -1.947 -1.943 -1.671 0.586 RESID 181 (Y): 5.562 ----- -1.164 0.152 -0.491 0.343 RESID 182 (K): -1.739 ----- 0.633 -2.138 2.264 0.650 RESID 183 (F): -4.318 ----- 2.823 -1.319 -4.530 0.608 RESID 184 (G): 4.321 ----- -1.406 1.888 ----- 0.259 RESID 185 (G): 0.782 ----- -1.803 -1.042 ----- -0.779 RESID 186 (P): ----- ----- -0.700 -2.530 0.792 ----- RESID 187 (S): -6.187 ----- -0.164 0.459 -2.516 0.090 RESID 188 (V): 1.086 ----- 0.166 0.004 -1.471 1.163 RESID 189 (K): 3.323 ----- 2.616 -1.582 -0.640 -0.050 RESID 190 (D): -1.796 ----- -1.592 2.188 2.198 0.532 RESID 191 (E): 2.490 ----- -0.262 0.832 -1.107 0.390 RESID 192 (K): -1.292 ----- 0.070 -0.794 -0.459 -0.859 RESID 193 (L): 0.154 ----- -0.009 -1.200 0.272 1.219 RESID 194 (F): 3.298 ----- 2.375 -2.697 -2.396 0.736 RESID 195 (G): -1.972 ----- -0.387 -0.810 ----- -0.135 RESID 196 (V): -11.428 ----- -0.528 -3.296 -1.531 -0.272 RESID 197 (G): 2.873 ----- 0.276 -2.069 ----- 0.534 RESID 198 (T): -4.268 ----- -0.370 -0.254 -0.245 -0.174 RESID 199 (G): -4.474 ----- -0.741 -1.693 ----- 0.089 RESID 200 (M): 1.417 ----- 0.123 0.119 -1.853 -0.396 RESID 201 (G): 1.579 ----- -0.650 0.203 ----- 0.492 RESID 202 (L): 0.034 ----- 0.146 0.910 -0.204 0.144 RESID 203 (R): 1.456 ----- 2.494 1.638 -1.662 2.010 RESID 204 (K): -1.463 ----- 0.672 -0.145 -0.231 0.571 RESID 205 (E): -3.375 ----- -0.237 -1.052 -1.153 0.803 RESID 206 (D): 5.247 ----- 0.800 0.048 -1.168 -0.772 RESID 207 (N): -0.321 ----- -0.108 0.534 -0.078 -0.887 RESID 208 (E): 1.519 ----- 1.431 0.886 -1.813 0.458 RESID 209 (L): 2.491 ----- -1.110 -0.125 -1.199 0.520 RESID 210 (R): 0.274 ----- -0.805 0.206 0.090 -0.758 RESID 211 (E): -3.004 ----- 1.269 -0.113 -0.981 0.527 RESID 212 (A): 0.802 ----- 1.655 0.101 -0.973 0.563 RESID 213 (L): 1.523 ----- -1.245 -0.456 0.314 0.253 RESID 214 (N): 2.796 ----- 1.853 -0.616 -0.803 0.052 RESID 215 (K): 2.455 ----- -0.120 -0.298 -0.743 -0.344 RESID 216 (A): 0.449 ----- -0.009 -0.742 0.426 -0.382 RESID 217 (F): -0.639 ----- 0.215 1.100 -1.068 0.591 RESID 218 (A): 0.095 ----- 2.423 -0.393 -1.343 -0.197 RESID 219 (E): 0.959 ----- -0.406 -0.268 -1.165 0.110 RESID 220 (M): 2.657 ----- 0.397 -2.125 0.187 0.029 RESID 221 (R): 0.841 ----- 0.411 -0.218 -2.380 0.245 RESID 222 (A): 0.411 ----- 0.376 -0.442 -0.521 0.095 RESID 223 (D): 0.471 ----- 0.634 -0.115 -0.829 0.112 RESID 224 (G): -2.241 ----- 0.006 -1.274 ----- -0.314 RESID 225 (T): 5.281 ----- 0.352 -0.204 -1.918 0.363 RESID 226 (Y): -0.221 ----- -0.899 0.193 0.075 0.393 RESID 227 (E): -0.508 ----- -0.492 -0.535 -0.310 -0.434 RESID 228 (K): -1.263 ----- 0.436 -0.233 -0.898 -0.825 RESID 229 (L): -0.275 ----- 0.488 -0.729 -0.347 0.003 RESID 230 (A): -0.963 ----- 1.252 -0.647 -0.145 0.570 RESID 231 (K): -1.132 ----- -0.749 -1.529 -0.983 -0.022 RESID 232 (K): 0.440 ----- -2.363 -0.813 -1.494 -0.367 RESID 233 (Y): -3.059 ----- -0.699 -3.110 0.465 -0.919 RESID 234 (F): 2.842 ----- 2.355 -1.722 -1.552 -0.135 RESID 235 (D): 2.335 ----- -0.293 -0.616 0.776 0.290 RESID 236 (F): -5.135 ----- -0.047 -2.717 0.031 -0.629 RESID 237 (D): -2.112 ----- -1.322 0.335 -2.725 0.223 RESID 238 (V): 7.350 ----- -1.466 -3.245 0.594 -0.967 RESID 239 (Y): 4.341 ----- -2.012 0.798 0.249 0.507 RESID 240 (G): -0.273 ----- -0.298 0.610 ----- -0.991 DATA CS_STAT_INFO N RMS: 2.934 ppm Count: 226 Average Difference: -0.129 +/- 2.937 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.297 ppm Count: 236 Average Difference: -0.106 +/- 1.295 ppm DATA CS_STAT_INFO CA RMS: 1.335 ppm Count: 236 Average Difference: 0.531 +/- 1.228 ppm DATA CS_STAT_INFO CB RMS: 2.452 ppm Count: 215 Average Difference: 0.506 +/- 2.405 ppm DATA CS_STAT_INFO HN RMS: 0.581 ppm Count: 226 Average Difference: -0.123 +/- 0.569 ppm ############################################################################ For conformer 26: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.236 0.064 RESID 5 (I): C 174.300 174.300 174.343 -0.043 RESID 5 (I): CA 57.710 57.710 59.820 -2.110 RESID 5 (I): CB 37.260 37.260 37.766 -0.506 RESID 5 (I): H 7.868 7.868 8.230 -0.362 RESID 6 (P): C 176.100 176.100 176.822 -0.722 RESID 6 (P): CA 62.180 62.180 62.804 -0.624 RESID 6 (P): CB 31.620 31.620 32.348 -0.728 RESID 7 (Q): N 119.200 119.200 119.569 -0.369 RESID 7 (Q): C 175.600 175.600 176.056 -0.456 RESID 7 (Q): CA 57.190 57.190 57.834 -0.644 RESID 7 (Q): CB 28.500 28.500 29.146 -0.646 RESID 7 (Q): H 8.380 8.380 8.686 -0.306 RESID 8 (N): N 116.300 116.300 114.303 1.997 RESID 8 (N): C 173.600 173.600 173.861 -0.261 RESID 8 (N): CA 51.720 51.720 52.370 -0.650 RESID 8 (N): CB 40.540 40.540 41.980 -1.440 RESID 8 (N): H 7.472 7.472 7.834 -0.362 RESID 9 (I): N 121.000 121.000 122.463 -1.463 RESID 9 (I): C 174.700 174.700 174.841 -0.141 RESID 9 (I): CA 59.480 59.480 60.088 -0.608 RESID 9 (I): CB 39.740 39.740 40.246 -0.506 RESID 9 (I): H 8.416 8.416 9.149 -0.733 RESID 10 (R): N 126.500 126.500 127.451 -0.951 RESID 10 (R): C 175.800 175.800 175.057 0.743 RESID 10 (R): CA 53.950 53.950 55.426 -1.476 RESID 10 (R): CB 30.670 30.670 31.352 -0.682 RESID 10 (R): H 9.098 9.098 8.133 0.965 RESID 11 (I): N 127.500 127.500 124.170 3.330 RESID 11 (I): C 175.600 175.600 175.280 0.320 RESID 11 (I): CA 59.480 59.480 59.228 0.252 RESID 11 (I): CB 37.460 37.460 41.566 -4.106 RESID 11 (I): H 9.279 9.279 9.019 0.260 RESID 12 (G): N 114.800 114.800 114.428 0.372 RESID 12 (G): C 171.700 171.700 173.462 -1.762 RESID 12 (G): CA 44.540 44.540 44.391 0.149 RESID 12 (G): H 9.382 9.382 8.493 0.889 RESID 13 (T): N 120.600 120.600 122.262 -1.662 RESID 13 (T): C 181.600 181.600 173.266 8.334 RESID 13 (T): CA 61.470 61.470 61.745 -0.274 RESID 13 (T): CB 69.970 69.970 71.364 -1.394 RESID 13 (T): H 8.594 8.594 7.805 0.789 RESID 14 (D): N 127.000 127.000 127.650 -0.650 RESID 14 (D): C 177.500 177.500 174.396 3.104 RESID 14 (D): CA 49.760 49.760 50.188 -0.428 RESID 14 (D): CB 40.580 40.580 42.002 -1.423 RESID 14 (D): H 8.200 8.200 8.613 -0.413 RESID 15 (P): C 175.400 175.400 176.502 -1.102 RESID 15 (P): CA 61.920 61.920 63.314 -1.394 RESID 15 (P): CB 27.890 27.890 32.355 -4.465 RESID 16 (T): N 116.200 116.200 111.363 4.837 RESID 16 (T): C 174.000 174.000 173.901 0.099 RESID 16 (T): CA 59.560 59.560 62.140 -2.580 RESID 16 (T): CB 68.650 68.650 70.036 -1.386 RESID 16 (T): H 8.739 8.739 8.247 0.492 RESID 17 (Y): N 125.800 125.800 121.814 3.986 RESID 17 (Y): C 175.200 175.200 175.645 -0.445 RESID 17 (Y): CA 54.180 54.180 56.156 -1.976 RESID 17 (Y): CB 38.700 38.700 38.544 0.156 RESID 17 (Y): H 8.943 8.943 8.080 0.863 RESID 18 (A): N 132.100 132.100 129.648 2.452 RESID 18 (A): C 176.000 176.000 176.477 -0.477 RESID 18 (A): CA 51.490 51.490 56.057 -4.567 RESID 18 (A): CB 16.070 16.070 16.251 -0.181 RESID 18 (A): H 8.945 8.945 8.918 0.027 RESID 19 (P): C 173.500 173.500 177.810 -4.310 RESID 19 (P): CA 62.890 62.890 65.243 -2.353 RESID 19 (P): CB 31.790 31.790 31.601 0.189 RESID 20 (F): N 125.100 125.100 117.348 7.752 RESID 20 (F): C 176.700 176.700 175.080 1.620 RESID 20 (F): CA 62.420 62.420 59.661 2.759 RESID 20 (F): CB 37.980 37.980 41.081 -3.101 RESID 20 (F): H 8.117 8.117 8.248 -0.131 RESID 21 (E): N 111.800 111.800 114.560 -2.760 RESID 21 (E): C 173.600 173.600 174.418 -0.818 RESID 21 (E): CA 54.400 54.400 55.196 -0.796 RESID 21 (E): CB 28.770 28.770 34.168 -5.398 RESID 21 (E): H 7.701 7.701 8.468 -0.767 RESID 22 (S): N 117.200 117.200 113.096 4.104 RESID 22 (S): C 171.500 171.500 172.284 -0.784 RESID 22 (S): CA 57.290 57.290 58.572 -1.282 RESID 22 (S): CB 62.940 62.940 64.159 -1.219 RESID 22 (S): H 8.750 8.750 8.308 0.442 RESID 23 (K): N 117.400 117.400 119.514 -2.114 RESID 23 (K): C 177.600 177.600 175.059 2.541 RESID 23 (K): CA 53.700 53.700 55.369 -1.669 RESID 23 (K): CB 33.330 33.330 35.086 -1.756 RESID 23 (K): H 8.238 8.238 8.252 -0.014 RESID 24 (N): N 122.400 122.400 121.202 1.198 RESID 24 (N): C 178.000 178.000 177.029 0.971 RESID 24 (N): CA 50.600 50.600 52.063 -1.463 RESID 24 (N): CB 38.140 38.140 40.044 -1.904 RESID 24 (N): H 8.584 8.584 8.610 -0.026 RESID 25 (S): C 175.400 175.400 175.401 -0.001 RESID 25 (S): CA 60.970 60.970 60.934 0.036 RESID 25 (S): CB 62.410 62.410 62.557 -0.147 RESID 26 (Q): N 119.300 119.300 119.496 -0.196 RESID 26 (Q): C 176.200 176.200 176.769 -0.569 RESID 26 (Q): CA 55.180 55.180 55.547 -0.367 RESID 26 (Q): CB 28.260 28.260 28.725 -0.465 RESID 26 (Q): H 7.520 7.520 7.859 -0.339 RESID 27 (G): N 108.800 108.800 107.750 1.050 RESID 27 (G): C 173.700 173.700 174.072 -0.372 RESID 27 (G): CA 45.050 45.050 45.063 -0.013 RESID 27 (G): H 8.169 8.169 7.903 0.266 RESID 28 (E): N 121.200 121.200 120.820 0.380 RESID 28 (E): C 175.800 175.800 175.624 0.176 RESID 28 (E): CA 54.490 54.490 55.995 -1.505 RESID 28 (E): CB 29.750 29.750 30.591 -0.841 RESID 28 (E): H 7.836 7.836 8.058 -0.222 RESID 29 (L): N 123.500 123.500 121.148 2.352 RESID 29 (L): C 176.400 176.400 175.977 0.423 RESID 29 (L): CA 54.310 54.310 53.697 0.613 RESID 29 (L): CB 41.180 41.180 42.872 -1.692 RESID 29 (L): H 8.281 8.281 8.331 -0.050 RESID 30 (V): N 118.200 118.200 122.360 -4.160 RESID 30 (V): C 175.300 175.300 173.601 1.699 RESID 30 (V): CA 58.360 58.360 60.124 -1.764 RESID 30 (V): CB 36.080 36.080 35.948 0.132 RESID 30 (V): H 8.900 8.900 7.879 1.021 RESID 31 (G): N 109.800 109.800 110.437 -0.637 RESID 31 (G): C 174.400 174.400 173.487 0.913 RESID 31 (G): CA 43.830 43.830 45.212 -1.382 RESID 31 (G): H 8.611 8.611 7.491 1.120 RESID 32 (F): N 119.900 119.900 122.558 -2.658 RESID 32 (F): C 177.900 177.900 175.879 2.021 RESID 32 (F): CA 59.800 59.800 60.601 -0.801 RESID 32 (F): CB 38.950 38.950 39.269 -0.319 RESID 32 (F): H 8.295 8.295 8.123 0.172 RESID 33 (D): N 116.500 116.500 118.975 -2.475 RESID 33 (D): C 179.100 179.100 178.123 0.977 RESID 33 (D): CA 56.180 56.180 56.264 -0.084 RESID 33 (D): CB 38.610 38.610 40.435 -1.825 RESID 33 (D): H 8.935 8.935 7.640 1.295 RESID 34 (I): N 118.800 118.800 119.855 -1.055 RESID 34 (I): C 178.000 178.000 177.970 0.030 RESID 34 (I): CA 60.950 60.950 64.332 -3.382 RESID 34 (I): CB 33.620 33.620 37.939 -4.319 RESID 34 (I): H 6.535 6.535 6.904 -0.369 RESID 35 (D): N 121.000 121.000 120.375 0.625 RESID 35 (D): C 180.300 180.300 178.694 1.606 RESID 35 (D): CA 57.100 57.100 57.413 -0.312 RESID 35 (D): CB 40.420 40.420 40.287 0.133 RESID 35 (D): H 8.536 8.536 7.807 0.729 RESID 36 (L): N 120.500 120.500 120.842 -0.342 RESID 36 (L): C 178.500 178.500 178.001 0.499 RESID 36 (L): CA 57.720 57.720 57.752 -0.032 RESID 36 (L): CB 42.230 42.230 41.581 0.649 RESID 36 (L): H 8.508 8.508 7.220 1.288 RESID 37 (A): N 120.200 120.200 121.761 -1.561 RESID 37 (A): C 178.600 178.600 179.574 -0.974 RESID 37 (A): CA 55.170 55.170 55.250 -0.080 RESID 37 (A): CB 17.340 17.340 18.459 -1.119 RESID 37 (A): H 8.383 8.383 7.650 0.733 RESID 38 (K): N 116.400 116.400 119.323 -2.923 RESID 38 (K): C 180.100 180.100 179.136 0.964 RESID 38 (K): CA 60.530 60.530 60.012 0.518 RESID 38 (K): CB 31.840 31.840 32.369 -0.529 RESID 38 (K): H 8.780 8.780 8.168 0.612 RESID 39 (E): N 121.500 121.500 119.387 2.113 RESID 39 (E): C 178.300 178.300 179.376 -1.076 RESID 39 (E): CA 58.430 58.430 59.315 -0.885 RESID 39 (E): CB 27.990 27.990 29.498 -1.508 RESID 39 (E): H 7.692 7.692 7.772 -0.080 RESID 40 (L): N 121.500 121.500 120.377 1.123 RESID 40 (L): C 178.700 178.700 178.812 -0.112 RESID 40 (L): CA 58.490 58.490 58.253 0.237 RESID 40 (L): CB 40.250 40.250 41.772 -1.522 RESID 40 (L): H 8.563 8.563 7.831 0.732 RESID 41 (C): N 115.700 115.700 118.458 -2.758 RESID 41 (C): C 175.800 175.800 177.464 -1.664 RESID 41 (C): CA 62.390 62.390 62.743 -0.353 RESID 41 (C): CB 46.860 46.860 25.454 21.406 RESID 41 (C): H 8.598 8.598 8.634 -0.036 RESID 42 (K): N 119.300 119.300 119.653 -0.353 RESID 42 (K): C 180.800 180.800 179.117 1.683 RESID 42 (K): CA 58.810 58.810 59.448 -0.638 RESID 42 (K): CB 31.430 31.430 32.356 -0.926 RESID 42 (K): H 7.490 7.490 8.045 -0.555 RESID 43 (R): N 119.500 119.500 117.940 1.560 RESID 43 (R): C 178.700 178.700 178.667 0.033 RESID 43 (R): CA 58.760 58.760 58.457 0.303 RESID 43 (R): CB 29.980 29.980 30.215 -0.235 RESID 43 (R): H 8.057 8.057 7.606 0.451 RESID 44 (I): N 111.800 111.800 117.526 -5.726 RESID 44 (I): C 175.000 175.000 175.832 -0.832 RESID 44 (I): CA 60.940 60.940 63.056 -2.116 RESID 44 (I): CB 36.630 36.630 38.205 -1.575 RESID 44 (I): H 7.765 7.765 8.411 -0.645 RESID 45 (N): N 118.800 118.800 115.724 3.076 RESID 45 (N): C 173.600 173.600 173.945 -0.345 RESID 45 (N): CA 53.670 53.670 54.626 -0.956 RESID 45 (N): CB 36.620 36.620 35.914 0.706 RESID 45 (N): H 7.752 7.752 8.067 -0.315 RESID 46 (T): N 112.800 112.800 105.817 6.983 RESID 46 (T): C 173.100 173.100 172.836 0.264 RESID 46 (T): CA 60.020 60.020 60.272 -0.252 RESID 46 (T): CB 70.500 70.500 71.873 -1.373 RESID 46 (T): H 7.920 7.920 7.928 -0.008 RESID 47 (Q): N 123.500 123.500 120.012 3.488 RESID 47 (Q): C 175.400 175.400 174.574 0.826 RESID 47 (Q): CA 54.550 54.550 55.107 -0.557 RESID 47 (Q): CB 28.670 28.670 30.467 -1.797 RESID 47 (Q): H 8.037 8.037 8.364 -0.327 RESID 48 (C): N 123.800 123.800 124.453 -0.653 RESID 48 (C): C 173.800 173.800 174.380 -0.580 RESID 48 (C): CA 53.170 53.170 57.902 -4.732 RESID 48 (C): CB 47.290 47.290 29.312 17.978 RESID 48 (C): H 8.881 8.881 8.688 0.193 RESID 49 (T): N 118.600 118.600 120.533 -1.933 RESID 49 (T): C 172.700 172.700 172.531 0.169 RESID 49 (T): CA 60.210 60.210 61.252 -1.042 RESID 49 (T): CB 70.980 70.980 71.107 -0.127 RESID 49 (T): H 8.324 8.324 8.884 -0.560 RESID 50 (F): N 123.800 123.800 125.888 -2.088 RESID 50 (F): C 175.800 175.800 175.945 -0.145 RESID 50 (F): CA 57.370 57.370 57.339 0.031 RESID 50 (F): CB 40.730 40.730 40.326 0.404 RESID 50 (F): H 8.982 8.982 8.630 0.352 RESID 51 (V): N 126.300 126.300 123.682 2.618 RESID 51 (V): C 174.700 174.700 174.711 -0.011 RESID 51 (V): CA 60.650 60.650 60.682 -0.032 RESID 51 (V): CB 33.700 33.700 35.389 -1.689 RESID 51 (V): H 9.271 9.271 9.142 0.129 RESID 52 (E): N 126.900 126.900 128.933 -2.033 RESID 52 (E): C 176.900 176.900 175.206 1.694 RESID 52 (E): CA 54.480 54.480 57.271 -2.791 RESID 52 (E): CB 29.350 29.350 30.397 -1.047 RESID 52 (E): H 8.617 8.617 8.775 -0.158 RESID 53 (N): N 127.100 127.100 120.613 6.487 RESID 53 (N): C 170.600 170.600 172.414 -1.814 RESID 53 (N): CA 51.220 51.220 51.536 -0.316 RESID 53 (N): CB 43.980 43.980 38.300 5.681 RESID 53 (N): H 8.917 8.917 8.228 0.689 RESID 54 (P): C 178.600 178.600 178.718 -0.118 RESID 54 (P): CA 61.650 61.650 62.342 -0.692 RESID 54 (P): CB 31.460 31.460 32.923 -1.463 RESID 55 (L): N 124.200 124.200 124.132 0.068 RESID 55 (L): C 179.600 179.600 178.721 0.879 RESID 55 (L): CA 58.130 58.130 59.232 -1.102 RESID 55 (L): CB 41.470 41.470 41.406 0.064 RESID 55 (L): H 9.096 9.096 8.758 0.338 RESID 56 (D): N 115.400 115.400 119.042 -3.642 RESID 56 (D): C 176.500 176.500 177.326 -0.826 RESID 56 (D): CA 56.080 56.080 56.866 -0.786 RESID 56 (D): CB 39.640 39.640 40.174 -0.534 RESID 56 (D): H 8.651 8.651 8.533 0.118 RESID 57 (A): N 120.400 120.400 119.906 0.494 RESID 57 (A): C 180.000 180.000 178.955 1.045 RESID 57 (A): CA 51.440 51.440 53.624 -2.184 RESID 57 (A): CB 19.170 19.170 19.653 -0.483 RESID 57 (A): H 8.079 8.079 8.328 -0.249 RESID 58 (L): N 122.300 122.300 121.065 1.235 RESID 58 (L): C 177.800 177.800 178.737 -0.937 RESID 58 (L): CA 58.960 58.960 58.070 0.890 RESID 58 (L): CB 40.150 40.150 41.869 -1.719 RESID 58 (L): H 7.783 7.783 8.125 -0.342 RESID 59 (I): N 119.600 119.600 119.655 -0.055 RESID 59 (I): C 176.400 176.400 175.211 1.189 RESID 59 (I): CA 68.170 68.170 65.928 2.242 RESID 59 (I): CB 33.980 33.980 34.562 -0.582 RESID 59 (I): H 9.094 9.094 7.783 1.311 RESID 60 (P): C 180.100 180.100 179.273 0.827 RESID 60 (P): CA 65.890 65.890 66.528 -0.638 RESID 60 (P): CB 29.980 29.980 31.252 -1.272 RESID 61 (S): N 114.800 114.800 114.911 -0.111 RESID 61 (S): C 175.500 175.500 176.701 -1.201 RESID 61 (S): CA 62.170 62.170 61.818 0.352 RESID 61 (S): H 7.865 7.865 8.241 -0.376 RESID 62 (L): N 126.200 126.200 123.064 3.136 RESID 62 (L): C 181.000 181.000 178.970 2.030 RESID 62 (L): CA 57.400 57.400 57.724 -0.324 RESID 62 (L): CB 41.820 41.820 41.780 0.040 RESID 62 (L): H 8.296 8.296 8.213 0.083 RESID 63 (K): N 121.000 121.000 119.034 1.966 RESID 63 (K): C 178.000 178.000 177.920 0.080 RESID 63 (K): CA 59.500 59.500 59.164 0.336 RESID 63 (K): CB 30.770 30.770 32.472 -1.702 RESID 63 (K): H 8.461 8.461 7.749 0.712 RESID 64 (A): N 118.700 118.700 118.707 -0.007 RESID 64 (A): C 176.200 176.200 176.675 -0.475 RESID 64 (A): CA 51.680 51.680 51.991 -0.311 RESID 64 (A): CB 18.140 18.140 18.575 -0.434 RESID 64 (A): H 7.686 7.686 7.973 -0.287 RESID 65 (K): N 112.200 112.200 113.967 -1.767 RESID 65 (K): C 176.000 176.000 176.502 -0.502 RESID 65 (K): CA 57.800 57.800 57.997 -0.197 RESID 65 (K): CB 27.730 27.730 29.922 -2.192 RESID 65 (K): H 7.751 7.751 7.676 0.075 RESID 66 (K): N 118.300 118.300 115.426 2.874 RESID 66 (K): C 176.600 176.600 177.107 -0.507 RESID 66 (K): CA 57.200 57.200 58.444 -1.244 RESID 66 (K): CB 32.170 32.170 33.013 -0.843 RESID 66 (K): H 8.415 8.415 7.773 0.642 RESID 67 (I): N 107.500 107.500 112.493 -4.993 RESID 67 (I): C 174.000 174.000 175.373 -1.373 RESID 67 (I): CA 59.050 59.050 59.034 0.016 RESID 67 (I): CB 40.470 40.470 41.050 -0.579 RESID 67 (I): H 7.034 7.034 7.236 -0.202 RESID 68 (D): N 119.000 119.000 121.963 -2.963 RESID 68 (D): C 172.200 172.200 175.759 -3.559 RESID 68 (D): CA 55.560 55.560 55.325 0.235 RESID 68 (D): CB 44.210 44.210 42.640 1.570 RESID 68 (D): H 9.739 9.739 8.432 1.307 RESID 69 (A): N 117.400 117.400 118.299 -0.899 RESID 69 (A): C 175.900 175.900 174.847 1.053 RESID 69 (A): CA 50.120 50.120 51.159 -1.039 RESID 69 (A): CB 21.960 21.960 22.177 -0.217 RESID 69 (A): H 7.660 7.660 7.701 -0.041 RESID 70 (I): N 120.500 120.500 120.861 -0.361 RESID 70 (I): C 174.500 174.500 174.316 0.184 RESID 70 (I): CA 60.060 60.060 60.672 -0.612 RESID 70 (I): CB 41.190 41.190 41.014 0.176 RESID 70 (I): H 9.402 9.402 8.046 1.356 RESID 71 (M): N 128.300 128.300 129.127 -0.827 RESID 71 (M): C 172.500 172.500 173.814 -1.314 RESID 71 (M): CA 53.040 53.040 55.039 -1.999 RESID 71 (M): CB 33.940 33.940 34.078 -0.139 RESID 71 (M): H 8.431 8.431 8.238 0.193 RESID 72 (S): N 122.700 122.700 120.583 2.117 RESID 72 (S): C 172.800 172.800 173.805 -1.005 RESID 72 (S): CA 57.630 57.630 56.664 0.966 RESID 72 (S): CB 64.590 64.590 65.236 -0.646 RESID 72 (S): H 8.717 8.717 8.583 0.134 RESID 73 (S): N 120.600 120.600 115.806 4.794 RESID 73 (S): C 174.900 174.900 174.775 0.125 RESID 73 (S): CA 58.590 58.590 59.550 -0.960 RESID 73 (S): CB 62.920 62.920 62.802 0.118 RESID 73 (S): H 8.570 8.570 8.641 -0.071 RESID 74 (L): N 120.700 120.700 123.735 -3.035 RESID 74 (L): C 175.300 175.300 176.060 -0.760 RESID 74 (L): CA 54.320 54.320 55.658 -1.338 RESID 74 (L): CB 42.350 42.350 42.844 -0.494 RESID 74 (L): H 8.678 8.678 7.461 1.217 RESID 75 (S): N 122.000 122.000 119.755 2.245 RESID 75 (S): C 174.500 174.500 173.662 0.838 RESID 75 (S): CA 59.250 59.250 57.104 2.146 RESID 75 (S): CB 63.060 63.060 64.768 -1.708 RESID 75 (S): H 8.142 8.142 7.860 0.282 RESID 76 (I): N 125.200 125.200 115.624 9.576 RESID 76 (I): C 175.500 175.500 174.603 0.897 RESID 76 (I): CA 61.340 61.340 59.562 1.778 RESID 76 (I): CB 35.790 35.790 39.646 -3.856 RESID 76 (I): H 8.307 8.307 8.230 0.077 RESID 77 (T): N 116.600 116.600 113.523 3.077 RESID 77 (T): C 174.800 174.800 175.069 -0.269 RESID 77 (T): CA 57.760 57.760 59.992 -2.232 RESID 77 (T): CB 71.570 71.570 72.305 -0.735 RESID 77 (T): H 6.513 6.513 7.525 -1.012 RESID 78 (E): N 124.500 124.500 124.897 -0.397 RESID 78 (E): C 179.500 179.500 177.886 1.614 RESID 78 (E): CA 59.140 59.140 60.864 -1.724 RESID 78 (E): CB 28.630 28.630 29.272 -0.642 RESID 78 (E): H 8.935 8.935 8.909 0.026 RESID 79 (K): N 118.400 118.400 118.294 0.106 RESID 79 (K): C 180.600 180.600 179.034 1.566 RESID 79 (K): CA 58.890 58.890 59.187 -0.297 RESID 79 (K): CB 31.610 31.610 32.301 -0.691 RESID 79 (K): H 8.415 8.415 8.370 0.045 RESID 80 (R): N 118.500 118.500 118.829 -0.329 RESID 80 (R): C 179.100 179.100 178.955 0.145 RESID 80 (R): CA 59.580 59.580 59.203 0.377 RESID 80 (R): CB 30.380 30.380 30.070 0.310 RESID 80 (R): H 7.678 7.678 7.399 0.279 RESID 81 (Q): N 119.000 119.000 119.799 -0.799 RESID 81 (Q): C 176.600 176.600 178.840 -2.240 RESID 81 (Q): CA 57.510 57.510 59.141 -1.631 RESID 81 (Q): CB 28.880 28.880 28.549 0.331 RESID 81 (Q): H 8.418 8.418 8.320 0.098 RESID 82 (Q): N 115.300 115.300 117.777 -2.477 RESID 82 (Q): C 177.400 177.400 177.881 -0.481 RESID 82 (Q): CA 57.280 57.280 58.449 -1.169 RESID 82 (Q): CB 27.950 27.950 28.468 -0.518 RESID 82 (Q): H 7.297 7.297 7.974 -0.677 RESID 83 (E): N 115.600 115.600 117.739 -2.139 RESID 83 (E): C 176.400 176.400 177.302 -0.902 RESID 83 (E): CA 56.950 56.950 58.370 -1.420 RESID 83 (E): CB 33.090 33.090 31.198 1.892 RESID 83 (E): H 7.627 7.627 7.923 -0.296 RESID 84 (I): N 115.100 115.100 111.859 3.241 RESID 84 (I): C 172.600 172.600 173.933 -1.333 RESID 84 (I): CA 59.380 59.380 58.900 0.480 RESID 84 (I): CB 40.830 40.830 41.517 -0.687 RESID 84 (I): H 8.275 8.275 7.973 0.302 RESID 85 (A): N 120.600 120.600 120.383 0.217 RESID 85 (A): C 175.000 175.000 175.262 -0.262 RESID 85 (A): CA 49.150 49.150 50.271 -1.121 RESID 85 (A): CB 22.280 22.280 21.424 0.857 RESID 85 (A): H 8.679 8.679 8.422 0.257 RESID 86 (F): N 115.500 115.500 119.092 -3.592 RESID 86 (F): C 178.800 178.800 175.817 2.983 RESID 86 (F): CA 55.850 55.850 56.911 -1.061 RESID 86 (F): CB 44.300 44.300 44.041 0.259 RESID 86 (F): H 8.283 8.283 8.617 -0.334 RESID 87 (T): N 108.200 108.200 114.972 -6.772 RESID 87 (T): C 174.700 174.700 173.799 0.901 RESID 87 (T): CA 61.930 61.930 61.155 0.775 RESID 87 (T): CB 72.740 72.740 70.089 2.651 RESID 87 (T): H 7.898 7.898 8.393 -0.495 RESID 88 (D): N 118.400 118.400 120.431 -2.031 RESID 88 (D): C 174.300 174.300 175.628 -1.328 RESID 88 (D): CA 55.030 55.030 55.784 -0.754 RESID 88 (D): CB 40.870 40.870 39.818 1.052 RESID 88 (D): H 8.789 8.789 8.805 -0.016 RESID 89 (K): N 118.100 118.100 116.602 1.498 RESID 89 (K): C 176.200 176.200 176.704 -0.504 RESID 89 (K): CA 55.570 55.570 57.275 -1.705 RESID 89 (K): CB 31.850 31.850 31.541 0.309 RESID 89 (K): H 7.666 7.666 7.693 -0.027 RESID 90 (L): N 123.400 123.400 126.349 -2.949 RESID 90 (L): C 178.000 178.000 177.736 0.264 RESID 90 (L): CA 54.450 54.450 57.319 -2.869 RESID 90 (L): CB 41.710 41.710 43.302 -1.592 RESID 90 (L): H 8.778 8.778 8.755 0.023 RESID 91 (Y): N 110.500 110.500 110.012 0.488 RESID 91 (Y): C 172.600 172.600 173.678 -1.078 RESID 91 (Y): CA 56.070 56.070 55.550 0.520 RESID 91 (Y): CB 37.670 37.670 40.566 -2.896 RESID 91 (Y): H 6.810 6.810 7.193 -0.383 RESID 92 (A): N 123.100 123.100 122.543 0.557 RESID 92 (A): C 175.600 175.600 176.762 -1.162 RESID 92 (A): CA 51.940 51.940 51.096 0.844 RESID 92 (A): CB 20.320 20.320 19.599 0.721 RESID 92 (A): H 8.135 8.135 9.103 -0.968 RESID 93 (A): N 127.000 127.000 127.752 -0.752 RESID 93 (A): C 175.700 175.700 176.688 -0.988 RESID 93 (A): CA 51.020 51.020 50.695 0.325 RESID 93 (A): CB 18.310 18.310 18.340 -0.030 RESID 93 (A): H 8.658 8.658 8.384 0.274 RESID 94 (D): N 122.900 122.900 121.771 1.129 RESID 94 (D): C 175.300 175.300 176.135 -0.835 RESID 94 (D): CA 53.910 53.910 55.150 -1.240 RESID 94 (D): CB 42.030 42.030 42.271 -0.241 RESID 94 (D): H 8.497 8.497 7.738 0.759 RESID 95 (S): N 110.300 110.300 112.207 -1.907 RESID 95 (S): C 171.600 171.600 173.079 -1.479 RESID 95 (S): CA 57.850 57.850 57.387 0.463 RESID 95 (S): CB 66.410 66.410 66.516 -0.106 RESID 95 (S): H 6.844 6.844 7.882 -1.038 RESID 96 (R): N 124.300 124.300 119.757 4.543 RESID 96 (R): C 173.700 173.700 173.853 -0.153 RESID 96 (R): CA 57.450 57.450 55.897 1.553 RESID 96 (R): CB 34.070 34.070 34.352 -0.282 RESID 96 (R): H 9.227 9.227 8.831 0.396 RESID 97 (L): N 124.100 124.100 125.125 -1.025 RESID 97 (L): C 177.600 177.600 175.921 1.679 RESID 97 (L): CA 54.150 54.150 53.795 0.355 RESID 97 (L): CB 42.640 42.640 44.399 -1.759 RESID 97 (L): H 9.343 9.343 8.052 1.291 RESID 98 (V): N 124.500 124.500 123.653 0.847 RESID 98 (V): C 175.700 175.700 174.990 0.710 RESID 98 (V): CA 61.770 61.770 60.854 0.916 RESID 98 (V): CB 32.950 32.950 32.479 0.471 RESID 98 (V): H 9.500 9.500 8.035 1.465 RESID 99 (V): N 116.800 116.800 122.191 -5.391 RESID 99 (V): C 174.600 174.600 173.857 0.743 RESID 99 (V): CA 58.190 58.190 58.479 -0.289 RESID 99 (V): CB 36.780 36.780 35.521 1.259 RESID 99 (V): H 9.192 9.192 8.109 1.083 RESID 100 (A): N 123.400 123.400 122.591 0.809 RESID 100 (A): C 179.200 179.200 178.430 0.770 RESID 100 (A): CA 52.690 52.690 50.621 2.069 RESID 100 (A): CB 18.160 18.160 19.996 -1.836 RESID 100 (A): H 9.043 9.043 8.369 0.674 RESID 101 (K): N 119.600 119.600 123.601 -4.001 RESID 101 (K): C 176.800 176.800 177.029 -0.229 RESID 101 (K): CA 59.360 59.360 58.973 0.387 RESID 101 (K): CB 31.380 31.380 31.890 -0.510 RESID 101 (K): H 7.840 7.840 8.914 -1.074 RESID 102 (N): N 114.400 114.400 115.539 -1.139 RESID 102 (N): C 175.500 175.500 175.245 0.255 RESID 102 (N): CA 52.330 52.330 54.643 -2.313 RESID 102 (N): CB 36.990 36.990 38.603 -1.613 RESID 102 (N): H 7.941 7.941 8.194 -0.253 RESID 103 (S): N 114.800 114.800 114.680 0.120 RESID 103 (S): C 176.000 176.000 173.291 2.709 RESID 103 (S): CA 58.180 58.180 57.498 0.682 RESID 103 (S): CB 64.310 64.310 63.907 0.402 RESID 103 (S): H 7.700 7.700 7.589 0.111 RESID 104 (D): N 128.500 128.500 129.308 -0.808 RESID 104 (D): C 176.700 176.700 175.178 1.522 RESID 104 (D): CA 52.990 52.990 54.022 -1.032 RESID 104 (D): CB 40.330 40.330 40.856 -0.526 RESID 104 (D): H 8.548 8.548 8.540 0.008 RESID 105 (I): N 122.800 122.800 124.794 -1.994 RESID 105 (I): C 173.800 173.800 174.620 -0.820 RESID 105 (I): CA 63.580 63.580 60.550 3.030 RESID 105 (I): CB 37.490 37.490 40.539 -3.049 RESID 105 (I): H 7.826 7.826 8.181 -0.355 RESID 106 (Q): N 124.600 124.600 125.014 -0.414 RESID 106 (Q): C 174.700 174.700 173.828 0.872 RESID 106 (Q): CA 51.380 51.380 52.086 -0.706 RESID 106 (Q): CB 31.050 31.050 29.894 1.156 RESID 106 (Q): H 8.174 8.174 8.484 -0.310 RESID 107 (P): C 175.300 175.300 175.796 -0.496 RESID 107 (P): CA 61.880 61.880 63.663 -1.783 RESID 107 (P): CB 26.860 26.860 31.012 -4.152 RESID 108 (T): N 114.600 114.600 117.683 -3.083 RESID 108 (T): C 174.000 174.000 174.380 -0.380 RESID 108 (T): CA 57.690 57.690 61.627 -3.937 RESID 108 (T): CB 71.020 71.020 71.968 -0.948 RESID 108 (T): H 8.531 8.531 7.673 0.858 RESID 109 (V): N 121.800 121.800 123.223 -1.423 RESID 109 (V): C 177.300 177.300 176.935 0.365 RESID 109 (V): CA 65.600 65.600 64.752 0.848 RESID 109 (V): CB 30.580 30.580 32.769 -2.189 RESID 109 (V): H 8.775 8.775 8.484 0.291 RESID 110 (E): N 116.900 116.900 120.835 -3.935 RESID 110 (E): C 178.400 178.400 178.671 -0.271 RESID 110 (E): CA 59.260 59.260 60.136 -0.876 RESID 110 (E): CB 28.170 28.170 29.046 -0.876 RESID 110 (E): H 8.414 8.414 8.393 0.021 RESID 111 (S): N 113.200 113.200 113.394 -0.194 RESID 111 (S): C 176.500 176.500 175.917 0.583 RESID 111 (S): CA 59.370 59.370 60.984 -1.614 RESID 111 (S): CB 63.730 63.730 62.529 1.201 RESID 111 (S): H 7.387 7.387 8.440 -1.053 RESID 112 (L): N 116.100 116.100 120.424 -4.324 RESID 112 (L): C 176.700 176.700 176.701 -0.001 RESID 112 (L): CA 54.580 54.580 55.381 -0.801 RESID 112 (L): CB 42.650 42.650 42.561 0.089 RESID 112 (L): H 7.676 7.676 7.331 0.345 RESID 113 (K): N 121.000 121.000 119.189 1.811 RESID 113 (K): C 178.200 178.200 177.502 0.698 RESID 113 (K): CA 58.850 58.850 58.228 0.622 RESID 113 (K): CB 30.850 30.850 32.255 -1.405 RESID 113 (K): H 7.445 7.445 7.732 -0.287 RESID 114 (G): N 113.900 113.900 112.943 0.957 RESID 114 (G): C 174.200 174.200 174.794 -0.594 RESID 114 (G): CA 45.240 45.240 45.351 -0.111 RESID 114 (G): H 8.454 8.454 8.356 0.098 RESID 115 (K): N 120.600 120.600 121.721 -1.121 RESID 115 (K): C 174.800 174.800 176.108 -1.308 RESID 115 (K): CA 53.710 53.710 54.751 -1.041 RESID 115 (K): CB 31.990 31.990 33.297 -1.307 RESID 115 (K): H 8.530 8.530 7.869 0.661 RESID 116 (R): N 119.300 119.300 120.746 -1.446 RESID 116 (R): C 176.000 176.000 175.422 0.578 RESID 116 (R): CA 54.720 54.720 55.729 -1.009 RESID 116 (R): CB 32.310 32.310 31.821 0.489 RESID 116 (R): H 9.455 9.455 8.461 0.994 RESID 117 (V): N 126.100 126.100 123.203 2.897 RESID 117 (V): C 175.300 175.300 174.954 0.346 RESID 117 (V): CA 60.090 60.090 60.215 -0.125 RESID 117 (V): CB 33.620 33.620 35.566 -1.946 RESID 117 (V): H 9.217 9.217 8.624 0.593 RESID 118 (G): N 114.000 114.000 113.647 0.353 RESID 118 (G): C 172.300 172.300 172.530 -0.230 RESID 118 (G): CA 45.010 45.010 43.622 1.388 RESID 118 (G): H 9.367 9.367 8.081 1.286 RESID 119 (V): N 116.400 116.400 122.287 -5.887 RESID 119 (V): C 174.100 174.100 174.023 0.077 RESID 119 (V): CA 58.270 58.270 60.451 -2.181 RESID 119 (V): CB 36.370 36.370 37.010 -0.640 RESID 119 (V): H 9.166 9.166 9.306 -0.140 RESID 120 (L): N 124.400 124.400 124.133 0.267 RESID 120 (L): C 176.900 176.900 175.664 1.236 RESID 120 (L): CA 53.690 53.690 53.952 -0.262 RESID 120 (L): CB 41.240 41.240 42.647 -1.407 RESID 120 (L): H 8.961 8.961 8.817 0.144 RESID 121 (Q): N 128.000 128.000 127.199 0.801 RESID 121 (Q): C 176.900 176.900 177.247 -0.347 RESID 121 (Q): CA 56.680 56.680 57.093 -0.413 RESID 121 (Q): CB 27.920 27.920 29.526 -1.606 RESID 121 (Q): H 9.305 9.305 8.998 0.307 RESID 122 (G): N 113.600 113.600 113.536 0.064 RESID 122 (G): C 175.100 175.100 173.553 1.547 RESID 122 (G): CA 45.240 45.240 45.475 -0.235 RESID 122 (G): H 9.383 9.383 8.768 0.615 RESID 123 (T): N 108.400 108.400 110.055 -1.655 RESID 123 (T): C 176.800 176.800 174.407 2.393 RESID 123 (T): CA 60.260 60.260 60.005 0.255 RESID 123 (T): CB 73.530 73.530 70.632 2.898 RESID 123 (T): H 7.220 7.220 7.735 -0.515 RESID 124 (T): N 113.900 113.900 112.488 1.412 RESID 124 (T): C 178.100 178.100 176.528 1.572 RESID 124 (T): CA 63.990 63.990 64.669 -0.680 RESID 124 (T): CB 67.740 67.740 68.714 -0.974 RESID 124 (T): H 8.934 8.934 8.661 0.273 RESID 125 (Q): N 120.600 120.600 122.421 -1.821 RESID 125 (Q): C 178.300 178.300 178.086 0.214 RESID 125 (Q): CA 61.670 61.670 59.770 1.900 RESID 125 (Q): CB 25.310 25.310 28.051 -2.741 RESID 125 (Q): H 7.521 7.521 8.276 -0.755 RESID 126 (E): N 121.900 121.900 119.754 2.146 RESID 126 (E): C 177.600 177.600 178.894 -1.294 RESID 126 (E): CA 59.630 59.630 59.831 -0.201 RESID 126 (E): CB 28.730 28.730 29.637 -0.907 RESID 126 (E): H 7.717 7.717 7.813 -0.096 RESID 127 (T): N 117.800 117.800 116.222 1.578 RESID 127 (T): C 176.200 176.200 176.371 -0.171 RESID 127 (T): CA 66.340 66.340 66.812 -0.472 RESID 127 (T): CB 67.590 67.590 68.722 -1.132 RESID 127 (T): H 8.175 8.175 7.619 0.556 RESID 128 (F): N 121.900 121.900 121.968 -0.068 RESID 128 (F): C 178.000 178.000 177.528 0.472 RESID 128 (F): CA 61.590 61.590 60.716 0.874 RESID 128 (F): CB 38.810 38.810 38.925 -0.115 RESID 128 (F): H 8.882 8.882 8.602 0.280 RESID 129 (G): N 107.000 107.000 107.138 -0.138 RESID 129 (G): C 176.100 176.100 176.490 -0.390 RESID 129 (G): CA 46.690 46.690 47.206 -0.516 RESID 129 (G): H 8.900 8.900 9.159 -0.259 RESID 130 (N): N 123.000 123.000 118.460 4.540 RESID 130 (N): C 176.200 176.200 175.838 0.362 RESID 130 (N): CA 55.400 55.400 55.350 0.050 RESID 130 (N): CB 37.570 37.570 38.197 -0.627 RESID 130 (N): H 8.915 8.915 8.578 0.337 RESID 131 (E): N 119.000 119.000 116.703 2.297 RESID 131 (E): C 177.900 177.900 177.096 0.804 RESID 131 (E): CA 57.940 57.940 56.704 1.236 RESID 131 (E): CB 29.350 29.350 30.767 -1.417 RESID 131 (E): H 7.907 7.907 7.480 0.427 RESID 132 (H): N 112.600 112.600 118.635 -6.035 RESID 132 (H): C 175.900 175.900 175.541 0.359 RESID 132 (H): CA 56.910 56.910 58.790 -1.880 RESID 132 (H): CB 30.510 30.510 29.806 0.704 RESID 132 (H): H 7.877 7.877 7.887 -0.010 RESID 133 (W): N 119.300 119.300 117.448 1.852 RESID 133 (W): C 176.800 176.800 176.187 0.613 RESID 133 (W): CA 55.570 55.570 56.541 -0.972 RESID 133 (W): CB 30.400 30.400 29.736 0.664 RESID 133 (W): H 7.653 7.653 7.494 0.159 RESID 134 (A): N 125.400 125.400 124.630 0.770 RESID 134 (A): C 177.700 177.700 177.217 0.483 RESID 134 (A): CA 55.410 55.410 54.619 0.791 RESID 134 (A): CB 15.990 15.990 16.814 -0.824 RESID 134 (A): H 8.711 8.711 7.528 1.183 RESID 135 (P): C 177.200 177.200 177.402 -0.202 RESID 135 (P): CA 64.510 64.510 64.192 0.318 RESID 135 (P): CB 30.800 30.800 30.985 -0.185 RESID 136 (K): N 115.800 115.800 116.241 -0.441 RESID 136 (K): C 176.500 176.500 177.624 -1.124 RESID 136 (K): CA 53.530 53.530 55.924 -2.394 RESID 136 (K): CB 31.430 31.430 32.039 -0.609 RESID 136 (K): H 7.665 7.665 8.133 -0.468 RESID 137 (G): N 106.100 106.100 108.345 -2.245 RESID 137 (G): C 174.300 174.300 173.517 0.783 RESID 137 (G): CA 45.740 45.740 45.371 0.369 RESID 137 (G): H 7.864 7.864 7.664 0.200 RESID 138 (I): N 124.400 124.400 119.357 5.043 RESID 138 (I): C 174.400 174.400 174.786 -0.386 RESID 138 (I): CA 60.460 60.460 60.103 0.357 RESID 138 (I): CB 38.080 38.080 39.867 -1.787 RESID 138 (I): H 6.889 6.889 7.474 -0.585 RESID 139 (E): N 128.400 128.400 127.220 1.180 RESID 139 (E): C 173.900 173.900 175.095 -1.195 RESID 139 (E): CA 56.050 56.050 55.587 0.463 RESID 139 (E): CB 29.490 29.490 31.241 -1.750 RESID 139 (E): H 8.230 8.230 8.331 -0.101 RESID 140 (I): N 129.500 129.500 121.639 7.861 RESID 140 (I): C 176.100 176.100 174.763 1.337 RESID 140 (I): CA 57.100 57.100 59.023 -1.923 RESID 140 (I): CB 34.440 34.440 40.599 -6.159 RESID 140 (I): H 8.642 8.642 8.357 0.285 RESID 141 (V): N 133.000 133.000 125.223 7.777 RESID 141 (V): C 174.400 174.400 174.499 -0.099 RESID 141 (V): CA 61.060 61.060 61.151 -0.091 RESID 141 (V): CB 32.410 32.410 36.189 -3.779 RESID 141 (V): H 9.387 9.387 8.976 0.411 RESID 142 (S): N 122.900 122.900 120.099 2.801 RESID 142 (S): C 175.000 175.000 173.521 1.479 RESID 142 (S): CA 57.710 57.710 57.353 0.357 RESID 142 (S): CB 63.710 63.710 63.752 -0.042 RESID 142 (S): H 8.490 8.490 8.389 0.101 RESID 143 (Y): N 123.400 123.400 126.052 -2.652 RESID 143 (Y): C 175.900 175.900 176.381 -0.481 RESID 143 (Y): CA 57.300 57.300 57.711 -0.411 RESID 143 (Y): CB 42.300 42.300 41.325 0.975 RESID 143 (Y): H 8.979 8.979 9.266 -0.287 RESID 144 (Q): N 119.500 119.500 120.087 -0.587 RESID 144 (Q): C 176.000 176.000 174.915 1.085 RESID 144 (Q): CA 56.490 56.490 55.919 0.571 RESID 144 (Q): CB 28.470 28.470 29.859 -1.389 RESID 144 (Q): H 8.974 8.974 8.744 0.230 RESID 145 (G): N 106.800 106.800 107.327 -0.527 RESID 145 (G): C 173.500 173.500 174.158 -0.658 RESID 145 (G): CA 44.300 44.300 44.318 -0.018 RESID 145 (G): H 7.531 7.531 7.861 -0.330 RESID 146 (Q): N 124.300 124.300 122.884 1.416 RESID 146 (Q): C 177.200 177.200 177.347 -0.147 RESID 146 (Q): CA 57.800 57.800 58.794 -0.994 RESID 146 (Q): CB 28.190 28.190 28.628 -0.438 RESID 146 (Q): H 8.949 8.949 8.861 0.088 RESID 147 (D): N 117.900 117.900 118.448 -0.548 RESID 147 (D): C 178.900 178.900 178.484 0.416 RESID 147 (D): CA 56.650 56.650 56.886 -0.236 RESID 147 (D): CB 38.890 38.890 39.736 -0.846 RESID 147 (D): H 8.746 8.746 8.786 -0.040 RESID 148 (N): N 117.500 117.500 117.736 -0.236 RESID 148 (N): C 176.700 176.700 177.331 -0.631 RESID 148 (N): CA 55.160 55.160 55.604 -0.444 RESID 148 (N): CB 38.700 38.700 38.101 0.599 RESID 148 (N): H 7.496 7.496 8.564 -1.068 RESID 149 (I): N 120.000 120.000 119.934 0.066 RESID 149 (I): C 177.400 177.400 177.513 -0.113 RESID 149 (I): CA 64.450 64.450 65.059 -0.609 RESID 149 (I): CB 35.900 35.900 37.576 -1.676 RESID 149 (I): H 6.793 6.793 7.090 -0.297 RESID 150 (Y): N 117.400 117.400 118.225 -0.825 RESID 150 (Y): C 178.800 178.800 178.067 0.733 RESID 150 (Y): CA 59.730 59.730 61.676 -1.946 RESID 150 (Y): CB 35.970 35.970 37.652 -1.682 RESID 150 (Y): H 6.897 6.897 7.395 -0.498 RESID 151 (S): N 117.000 117.000 114.904 2.096 RESID 151 (S): C 177.000 177.000 177.015 -0.015 RESID 151 (S): CA 61.300 61.300 61.686 -0.386 RESID 151 (S): CB 62.100 62.100 62.223 -0.123 RESID 151 (S): H 8.186 8.186 8.234 -0.048 RESID 152 (D): N 122.300 122.300 123.239 -0.939 RESID 152 (D): C 179.000 179.000 178.353 0.647 RESID 152 (D): CA 56.580 56.580 56.873 -0.292 RESID 152 (D): CB 38.240 38.240 40.381 -2.141 RESID 152 (D): H 7.541 7.541 7.711 -0.170 RESID 153 (L): N 124.100 124.100 121.158 2.942 RESID 153 (L): C 180.300 180.300 178.547 1.753 RESID 153 (L): CA 58.160 58.160 57.545 0.614 RESID 153 (L): CB 41.630 41.630 41.819 -0.189 RESID 153 (L): H 8.372 8.372 7.859 0.513 RESID 154 (T): N 111.900 111.900 113.310 -1.410 RESID 154 (T): C 176.700 176.700 175.360 1.340 RESID 154 (T): CA 63.920 63.920 65.411 -1.491 RESID 154 (T): CB 68.700 68.700 69.017 -0.317 RESID 154 (T): H 8.389 8.389 8.307 0.082 RESID 155 (A): N 121.800 121.800 120.157 1.643 RESID 155 (A): C 178.200 178.200 178.049 0.151 RESID 155 (A): CA 51.640 51.640 52.327 -0.687 RESID 155 (A): CB 18.990 18.990 19.471 -0.482 RESID 155 (A): H 7.444 7.444 7.077 0.367 RESID 156 (G): N 107.800 107.800 107.109 0.691 RESID 156 (G): C 175.100 175.100 175.342 -0.242 RESID 156 (G): CA 45.420 45.420 45.166 0.254 RESID 156 (G): H 7.921 7.921 8.028 -0.107 RESID 157 (R): N 119.000 119.000 119.191 -0.191 RESID 157 (R): C 176.600 176.600 175.720 0.880 RESID 157 (R): CA 57.260 57.260 57.583 -0.323 RESID 157 (R): CB 30.400 30.400 30.771 -0.371 RESID 157 (R): H 8.443 8.443 8.129 0.314 RESID 158 (I): N 108.900 108.900 112.804 -3.904 RESID 158 (I): C 173.700 173.700 174.278 -0.578 RESID 158 (I): CA 59.900 59.900 59.210 0.690 RESID 158 (I): CB 40.070 40.070 41.092 -1.022 RESID 158 (I): H 7.109 7.109 7.121 -0.012 RESID 159 (D): N 119.100 119.100 123.746 -4.646 RESID 159 (D): C 174.700 174.700 175.647 -0.947 RESID 159 (D): CA 55.900 55.900 56.295 -0.395 RESID 159 (D): CB 43.630 43.630 41.717 1.913 RESID 159 (D): H 8.737 8.737 8.557 0.180 RESID 160 (A): N 116.400 116.400 116.458 -0.058 RESID 160 (A): C 174.900 174.900 174.320 0.580 RESID 160 (A): CA 50.190 50.190 51.490 -1.300 RESID 160 (A): CB 23.030 23.030 21.353 1.677 RESID 160 (A): H 7.702 7.702 7.166 0.536 RESID 161 (A): N 123.400 123.400 121.814 1.586 RESID 161 (A): C 175.500 175.500 175.676 -0.176 RESID 161 (A): CA 49.730 49.730 50.281 -0.551 RESID 161 (A): CB 21.110 21.110 21.605 -0.495 RESID 161 (A): H 8.915 8.915 7.998 0.917 RESID 162 (F): N 125.100 125.100 122.606 2.494 RESID 162 (F): C 172.900 172.900 174.993 -2.093 RESID 162 (F): CA 54.500 54.500 58.237 -3.737 RESID 162 (F): CB 39.400 39.400 38.792 0.608 RESID 162 (F): H 8.971 8.971 8.418 0.553 RESID 163 (Q): N 124.600 124.600 123.359 1.241 RESID 163 (Q): C 173.400 173.400 173.699 -0.299 RESID 163 (Q): CA 53.550 53.550 53.637 -0.087 RESID 163 (Q): CB 34.390 34.390 33.150 1.240 RESID 163 (Q): H 7.904 7.904 8.312 -0.408 RESID 164 (D): N 122.300 122.300 121.233 1.067 RESID 164 (D): C 175.800 175.800 177.247 -1.447 RESID 164 (D): CA 55.540 55.540 54.449 1.091 RESID 164 (D): CB 42.370 42.370 42.062 0.308 RESID 164 (D): H 8.304 8.304 8.441 -0.137 RESID 165 (E): N 128.600 128.600 122.840 5.760 RESID 165 (E): C 177.700 177.700 178.108 -0.408 RESID 165 (E): CA 60.230 60.230 60.131 0.099 RESID 165 (E): CB 30.020 30.020 29.827 0.193 RESID 165 (E): H 8.605 8.605 8.765 -0.160 RESID 166 (V): N 120.100 120.100 118.849 1.251 RESID 166 (V): C 178.300 178.300 177.273 1.027 RESID 166 (V): CA 66.800 66.800 66.694 0.107 RESID 166 (V): CB 30.070 30.070 30.262 -0.192 RESID 166 (V): H 8.748 8.748 8.191 0.557 RESID 167 (A): N 123.200 123.200 120.093 3.107 RESID 167 (A): C 182.500 182.500 179.093 3.407 RESID 167 (A): CA 54.980 54.980 54.723 0.257 RESID 167 (A): CB 17.910 17.910 18.037 -0.127 RESID 167 (A): H 8.655 8.655 7.909 0.746 RESID 168 (A): N 121.300 121.300 122.147 -0.847 RESID 168 (A): C 179.800 179.800 179.725 0.075 RESID 168 (A): CA 54.180 54.180 54.550 -0.370 RESID 168 (A): CB 18.750 18.750 18.420 0.330 RESID 168 (A): H 8.349 8.349 7.875 0.474 RESID 169 (S): N 113.400 113.400 114.316 -0.916 RESID 169 (S): C 175.700 175.700 176.249 -0.549 RESID 169 (S): CA 61.050 61.050 62.822 -1.772 RESID 169 (S): CB 63.050 63.050 62.550 0.500 RESID 169 (S): H 8.058 8.058 8.164 -0.106 RESID 170 (E): N 115.600 115.600 120.121 -4.521 RESID 170 (E): C 178.800 178.800 177.240 1.560 RESID 170 (E): CA 57.610 57.610 58.012 -0.402 RESID 170 (E): CB 29.790 29.790 29.061 0.729 RESID 170 (E): H 8.824 8.824 7.844 0.980 RESID 171 (G): N 103.400 103.400 104.666 -1.266 RESID 171 (G): C 173.700 173.700 174.945 -1.245 RESID 171 (G): CA 44.970 44.970 45.227 -0.257 RESID 171 (G): H 8.154 8.154 7.343 0.811 RESID 172 (F): N 120.100 120.100 122.500 -2.400 RESID 172 (F): C 175.200 175.200 177.685 -2.485 RESID 172 (F): CA 60.690 60.690 61.156 -0.466 RESID 172 (F): CB 40.740 40.740 39.091 1.649 RESID 172 (F): H 7.297 7.297 8.360 -1.063 RESID 173 (L): N 117.800 117.800 117.742 0.058 RESID 173 (L): C 179.000 179.000 178.298 0.702 RESID 173 (L): CA 57.670 57.670 56.862 0.808 RESID 173 (L): CB 40.020 40.020 41.832 -1.812 RESID 173 (L): H 8.470 8.470 7.521 0.949 RESID 174 (K): N 114.600 114.600 116.449 -1.849 RESID 174 (K): C 176.900 176.900 176.342 0.558 RESID 174 (K): CA 56.450 56.450 57.285 -0.835 RESID 174 (K): CB 31.770 31.770 32.656 -0.886 RESID 174 (K): H 8.018 8.018 7.569 0.449 RESID 175 (Q): N 118.800 118.800 117.082 1.718 RESID 175 (Q): C 176.000 176.000 173.937 2.063 RESID 175 (Q): CA 52.510 52.510 52.213 0.297 RESID 175 (Q): CB 26.740 26.740 29.790 -3.050 RESID 175 (Q): H 7.151 7.151 7.277 -0.126 RESID 176 (P): C 179.300 179.300 177.310 1.990 RESID 176 (P): CA 66.100 66.100 65.415 0.685 RESID 176 (P): CB 30.720 30.720 31.525 -0.805 RESID 177 (V): N 112.300 112.300 117.298 -4.998 RESID 177 (V): C 175.900 175.900 177.886 -1.986 RESID 177 (V): CA 62.860 62.860 65.943 -3.083 RESID 177 (V): CB 30.660 30.660 30.583 0.077 RESID 177 (V): H 7.480 7.480 7.680 -0.200 RESID 178 (G): N 109.700 109.700 105.765 3.935 RESID 178 (G): C 175.000 175.000 174.788 0.212 RESID 178 (G): CA 44.080 44.080 46.240 -2.160 RESID 178 (G): H 7.173 7.173 7.920 -0.747 RESID 179 (K): N 120.900 120.900 119.080 1.820 RESID 179 (K): C 177.100 177.100 177.669 -0.569 RESID 179 (K): CA 58.360 58.360 58.453 -0.093 RESID 179 (K): CB 31.260 31.260 32.278 -1.018 RESID 179 (K): H 6.972 6.972 7.428 -0.456 RESID 180 (D): N 117.200 117.200 117.334 -0.134 RESID 180 (D): C 173.900 173.900 175.862 -1.962 RESID 180 (D): CA 53.920 53.920 55.884 -1.964 RESID 180 (D): CB 39.690 39.690 41.383 -1.693 RESID 180 (D): H 8.036 8.036 7.453 0.583 RESID 181 (Y): N 120.500 120.500 114.972 5.528 RESID 181 (Y): C 172.300 172.300 173.485 -1.185 RESID 181 (Y): CA 57.890 57.890 57.745 0.145 RESID 181 (Y): CB 41.860 41.860 42.363 -0.503 RESID 181 (Y): H 7.768 7.768 7.443 0.325 RESID 182 (K): N 116.900 116.900 118.752 -1.852 RESID 182 (K): C 174.900 174.900 174.277 0.623 RESID 182 (K): CA 54.330 54.330 56.451 -2.121 RESID 182 (K): CB 35.610 35.610 33.333 2.277 RESID 182 (K): H 9.497 9.497 8.845 0.652 RESID 183 (F): N 117.900 117.900 122.195 -4.295 RESID 183 (F): C 177.800 177.800 175.008 2.792 RESID 183 (F): CA 56.780 56.780 58.093 -1.313 RESID 183 (F): CB 38.320 38.320 42.834 -4.514 RESID 183 (F): H 8.470 8.470 7.872 0.598 RESID 184 (G): N 113.700 113.700 109.395 4.305 RESID 184 (G): C 173.300 173.300 174.722 -1.422 RESID 184 (G): CA 46.900 46.900 45.019 1.881 RESID 184 (G): H 9.107 9.107 8.851 0.256 RESID 185 (G): N 111.000 111.000 110.215 0.785 RESID 185 (G): C 171.100 171.100 172.903 -1.803 RESID 185 (G): CA 44.530 44.530 45.573 -1.043 RESID 185 (G): H 7.702 7.702 8.479 -0.777 RESID 186 (P): C 175.500 175.500 176.204 -0.704 RESID 186 (P): CA 61.920 61.920 64.449 -2.529 RESID 186 (P): CB 32.640 32.640 31.838 0.802 RESID 187 (S): N 113.500 113.500 120.216 -6.716 RESID 187 (S): C 173.500 173.500 173.842 -0.342 RESID 187 (S): CA 57.930 57.930 57.479 0.451 RESID 187 (S): CB 63.260 63.260 65.648 -2.389 RESID 187 (S): H 8.452 8.452 8.341 0.111 RESID 188 (V): N 123.300 123.300 121.747 1.553 RESID 188 (V): C 173.900 173.900 173.626 0.274 RESID 188 (V): CA 61.800 61.800 62.349 -0.549 RESID 188 (V): CB 32.680 32.680 34.692 -2.012 RESID 188 (V): H 9.080 9.080 7.846 1.234 RESID 189 (K): N 125.200 125.200 122.456 2.744 RESID 189 (K): C 176.700 176.700 174.083 2.617 RESID 189 (K): CA 54.680 54.680 56.182 -1.502 RESID 189 (K): CB 33.780 33.780 34.712 -0.932 RESID 189 (K): H 8.123 8.123 8.132 -0.009 RESID 190 (D): N 120.300 120.300 122.122 -1.822 RESID 190 (D): C 175.300 175.300 176.887 -1.587 RESID 190 (D): CA 55.610 55.610 53.441 2.169 RESID 190 (D): CB 42.620 42.620 40.444 2.176 RESID 190 (D): H 8.823 8.823 8.280 0.543 RESID 191 (E): N 129.100 129.100 126.590 2.510 RESID 191 (E): C 177.300 177.300 177.567 -0.267 RESID 191 (E): CA 59.310 59.310 58.437 0.874 RESID 191 (E): CB 28.420 28.420 29.523 -1.103 RESID 191 (E): H 9.239 9.239 8.853 0.386 RESID 192 (K): N 118.000 118.000 119.291 -1.291 RESID 192 (K): C 178.200 178.200 178.043 0.157 RESID 192 (K): CA 58.140 58.140 58.919 -0.779 RESID 192 (K): CB 31.690 31.690 32.147 -0.457 RESID 192 (K): H 7.918 7.918 8.778 -0.860 RESID 193 (L): N 118.200 118.200 118.032 0.168 RESID 193 (L): C 177.700 177.700 177.667 0.033 RESID 193 (L): CA 55.790 55.790 56.958 -1.168 RESID 193 (L): CB 42.330 42.330 42.056 0.274 RESID 193 (L): H 8.362 8.362 7.140 1.222 RESID 194 (F): N 116.800 116.800 113.457 3.343 RESID 194 (F): C 178.200 178.200 175.853 2.347 RESID 194 (F): CA 54.620 54.620 57.392 -2.772 RESID 194 (F): CB 37.390 37.390 39.863 -2.473 RESID 194 (F): H 8.036 8.036 7.306 0.730 RESID 195 (G): N 106.900 106.900 108.863 -1.963 RESID 195 (G): C 174.200 174.200 174.577 -0.377 RESID 195 (G): CA 44.120 44.120 44.916 -0.797 RESID 195 (G): H 7.510 7.510 7.650 -0.140 RESID 196 (V): N 112.400 112.400 123.885 -11.485 RESID 196 (V): C 175.300 175.300 175.821 -0.521 RESID 196 (V): CA 60.720 60.720 64.004 -3.284 RESID 196 (V): CB 30.630 30.630 32.152 -1.522 RESID 196 (V): H 8.064 8.064 8.334 -0.270 RESID 197 (G): N 108.100 108.100 105.181 2.919 RESID 197 (G): C 172.300 172.300 172.012 0.288 RESID 197 (G): CA 43.210 43.210 45.264 -2.054 RESID 197 (G): H 7.788 7.788 7.252 0.536 RESID 198 (T): N 109.200 109.200 113.357 -4.157 RESID 198 (T): C 172.800 172.800 173.157 -0.357 RESID 198 (T): CA 59.090 59.090 59.338 -0.248 RESID 198 (T): CB 71.080 71.080 71.331 -0.251 RESID 198 (T): H 7.796 7.796 7.943 -0.147 RESID 199 (G): N 103.900 103.900 108.195 -4.295 RESID 199 (G): C 171.800 171.800 172.274 -0.474 RESID 199 (G): CA 43.840 43.840 45.631 -1.791 RESID 199 (G): H 7.928 7.928 7.858 0.070 RESID 200 (M): N 121.400 121.400 119.432 1.968 RESID 200 (M): C 176.200 176.200 176.031 0.169 RESID 200 (M): CA 55.260 55.260 54.858 0.402 RESID 200 (M): CB 33.390 33.390 35.573 -2.183 RESID 200 (M): H 7.971 7.971 8.242 -0.271 RESID 201 (G): N 112.200 112.200 110.404 1.796 RESID 201 (G): C 172.000 172.000 172.650 -0.650 RESID 201 (G): CA 44.540 44.540 44.300 0.240 RESID 201 (G): H 8.818 8.818 8.421 0.397 RESID 202 (L): N 124.700 124.700 124.816 -0.116 RESID 202 (L): C 176.000 176.000 175.920 0.080 RESID 202 (L): CA 53.740 53.740 52.815 0.925 RESID 202 (L): CB 46.010 46.010 46.067 -0.057 RESID 202 (L): H 8.767 8.767 8.670 0.097 RESID 203 (R): N 121.600 121.600 120.056 1.544 RESID 203 (R): C 180.400 180.400 177.909 2.491 RESID 203 (R): CA 57.130 57.130 55.445 1.685 RESID 203 (R): CB 29.650 29.650 31.288 -1.638 RESID 203 (R): H 10.270 10.270 8.136 2.134 RESID 204 (K): N 123.200 123.200 124.437 -1.237 RESID 204 (K): C 178.200 178.200 177.674 0.526 RESID 204 (K): CA 59.570 59.570 59.683 -0.113 RESID 204 (K): CB 31.840 31.840 32.147 -0.307 RESID 204 (K): H 9.231 9.231 8.672 0.559 RESID 205 (E): N 113.800 113.800 117.126 -3.326 RESID 205 (E): C 177.700 177.700 177.897 -0.197 RESID 205 (E): CA 57.230 57.230 58.239 -1.009 RESID 205 (E): CB 27.770 27.770 28.903 -1.133 RESID 205 (E): H 9.026 9.026 8.229 0.797 RESID 206 (D): N 126.000 126.000 120.674 5.326 RESID 206 (D): C 177.300 177.300 176.533 0.767 RESID 206 (D): CA 53.710 53.710 53.666 0.044 RESID 206 (D): CB 37.530 37.530 38.631 -1.101 RESID 206 (D): H 7.253 7.253 8.029 -0.776 RESID 207 (N): N 120.100 120.100 120.337 -0.237 RESID 207 (N): C 176.900 176.900 176.973 -0.073 RESID 207 (N): CA 56.950 56.950 56.354 0.596 RESID 207 (N): CB 38.820 38.820 38.977 -0.158 RESID 207 (N): H 7.839 7.839 8.713 -0.874 RESID 208 (E): N 120.500 120.500 119.060 1.440 RESID 208 (E): C 179.900 179.900 178.402 1.498 RESID 208 (E): CA 59.870 59.870 58.963 0.907 RESID 208 (E): CB 27.630 27.630 29.514 -1.884 RESID 208 (E): H 8.776 8.776 8.339 0.437 RESID 209 (L): N 122.900 122.900 120.434 2.466 RESID 209 (L): C 177.100 177.100 178.209 -1.109 RESID 209 (L): CA 57.400 57.400 57.551 -0.151 RESID 209 (L): CB 40.660 40.660 41.842 -1.182 RESID 209 (L): H 8.366 8.366 7.861 0.505 RESID 210 (R): N 119.100 119.100 118.752 0.348 RESID 210 (R): C 177.400 177.400 178.223 -0.823 RESID 210 (R): CA 59.970 59.970 59.736 0.235 RESID 210 (R): CB 30.110 30.110 30.023 0.087 RESID 210 (R): H 7.582 7.582 8.321 -0.739 RESID 211 (E): N 116.200 116.200 119.258 -3.058 RESID 211 (E): C 179.800 179.800 178.539 1.261 RESID 211 (E): CA 59.150 59.150 59.266 -0.115 RESID 211 (E): CB 28.600 28.600 29.593 -0.993 RESID 211 (E): H 8.407 8.407 7.878 0.529 RESID 212 (A): N 123.500 123.500 122.686 0.814 RESID 212 (A): C 181.300 181.300 179.656 1.644 RESID 212 (A): CA 54.810 54.810 54.717 0.094 RESID 212 (A): CB 17.170 17.170 18.136 -0.966 RESID 212 (A): H 8.128 8.128 7.632 0.496 RESID 213 (L): N 121.200 121.200 119.632 1.568 RESID 213 (L): C 178.400 178.400 179.618 -1.218 RESID 213 (L): CA 57.710 57.710 58.200 -0.490 RESID 213 (L): CB 41.450 41.450 41.215 0.235 RESID 213 (L): H 8.364 8.364 8.060 0.304 RESID 214 (N): N 119.200 119.200 116.481 2.719 RESID 214 (N): C 179.700 179.700 177.853 1.847 RESID 214 (N): CA 55.260 55.260 55.883 -0.623 RESID 214 (N): CB 37.120 37.120 37.918 -0.798 RESID 214 (N): H 8.435 8.435 8.344 0.091 RESID 215 (K): N 123.800 123.800 121.328 2.472 RESID 215 (K): C 178.400 178.400 178.518 -0.118 RESID 215 (K): CA 59.090 59.090 59.395 -0.305 RESID 215 (K): CB 31.740 31.740 32.482 -0.742 RESID 215 (K): H 8.080 8.080 8.444 -0.364 RESID 216 (A): N 122.200 122.200 121.750 0.450 RESID 216 (A): C 179.500 179.500 179.512 -0.012 RESID 216 (A): CA 54.140 54.140 54.890 -0.750 RESID 216 (A): CB 18.700 18.700 18.268 0.432 RESID 216 (A): H 7.935 7.935 8.252 -0.317 RESID 217 (F): N 119.500 119.500 120.121 -0.621 RESID 217 (F): C 177.200 177.200 176.979 0.221 RESID 217 (F): CA 61.390 61.390 60.263 1.127 RESID 217 (F): CB 38.000 38.000 39.065 -1.065 RESID 217 (F): H 8.916 8.916 8.316 0.600 RESID 218 (A): N 121.300 121.300 121.208 0.092 RESID 218 (A): C 182.100 182.100 179.676 2.424 RESID 218 (A): CA 54.810 54.810 55.203 -0.392 RESID 218 (A): CB 16.650 16.650 17.991 -1.341 RESID 218 (A): H 7.956 7.956 8.148 -0.192 RESID 219 (E): N 120.000 120.000 119.034 0.966 RESID 219 (E): C 178.600 178.600 179.005 -0.405 RESID 219 (E): CA 59.040 59.040 59.306 -0.266 RESID 219 (E): CB 28.320 28.320 29.483 -1.163 RESID 219 (E): H 7.952 7.952 7.839 0.113 RESID 220 (M): N 120.900 120.900 118.157 2.743 RESID 220 (M): C 179.000 179.000 178.534 0.466 RESID 220 (M): CA 57.430 57.430 59.488 -2.058 RESID 220 (M): CB 32.620 32.620 32.454 0.166 RESID 220 (M): H 8.190 8.190 8.061 0.129 RESID 221 (R): N 119.200 119.200 118.364 0.836 RESID 221 (R): C 179.300 179.300 178.891 0.409 RESID 221 (R): CA 58.710 58.710 58.928 -0.218 RESID 221 (R): CB 27.480 27.480 29.852 -2.372 RESID 221 (R): H 7.762 7.762 7.519 0.243 RESID 222 (A): N 122.500 122.500 122.110 0.390 RESID 222 (A): C 179.300 179.300 178.931 0.369 RESID 222 (A): CA 54.180 54.180 54.630 -0.450 RESID 222 (A): CB 18.030 18.030 18.545 -0.515 RESID 222 (A): H 7.838 7.838 7.740 0.098 RESID 223 (D): N 115.100 115.100 114.680 0.420 RESID 223 (D): C 177.900 177.900 177.262 0.638 RESID 223 (D): CA 53.020 53.020 53.140 -0.120 RESID 223 (D): CB 39.570 39.570 40.439 -0.869 RESID 223 (D): H 8.091 8.091 7.980 0.111 RESID 224 (G): N 106.700 106.700 108.847 -2.147 RESID 224 (G): C 176.000 176.000 176.005 -0.005 RESID 224 (G): CA 45.070 45.070 46.308 -1.238 RESID 224 (G): H 7.199 7.199 7.435 -0.236 RESID 225 (T): N 122.400 122.400 117.146 5.254 RESID 225 (T): C 175.700 175.700 175.319 0.381 RESID 225 (T): CA 67.610 67.610 67.856 -0.246 RESID 225 (T): CB 66.840 66.840 68.760 -1.920 RESID 225 (T): H 9.095 9.095 8.766 0.329 RESID 226 (Y): N 121.500 121.500 121.702 -0.202 RESID 226 (Y): C 176.000 176.000 176.901 -0.901 RESID 226 (Y): CA 62.530 62.530 62.370 0.160 RESID 226 (Y): CB 38.410 38.410 38.334 0.076 RESID 226 (Y): H 8.040 8.040 7.642 0.398 RESID 227 (E): N 118.200 118.200 118.725 -0.525 RESID 227 (E): C 178.200 178.200 178.693 -0.493 RESID 227 (E): CA 58.940 58.940 59.481 -0.541 RESID 227 (E): CB 28.810 28.810 29.119 -0.309 RESID 227 (E): H 8.153 8.153 8.590 -0.437 RESID 228 (K): N 119.100 119.100 120.396 -1.296 RESID 228 (K): C 179.500 179.500 179.062 0.438 RESID 228 (K): CA 59.260 59.260 59.500 -0.240 RESID 228 (K): CB 31.520 31.520 32.418 -0.898 RESID 228 (K): H 7.558 7.558 8.387 -0.829 RESID 229 (L): N 119.100 119.100 119.370 -0.270 RESID 229 (L): C 179.300 179.300 178.832 0.468 RESID 229 (L): CA 56.970 56.970 57.711 -0.741 RESID 229 (L): CB 41.520 41.520 41.854 -0.334 RESID 229 (L): H 8.055 8.055 8.070 -0.015 RESID 230 (A): N 121.200 121.200 122.127 -0.927 RESID 230 (A): C 180.500 180.500 179.256 1.244 RESID 230 (A): CA 54.890 54.890 55.541 -0.651 RESID 230 (A): CB 17.570 17.570 17.745 -0.175 RESID 230 (A): H 8.901 8.901 8.331 0.570 RESID 231 (K): N 117.200 117.200 117.987 -0.787 RESID 231 (K): C 177.700 177.700 178.146 -0.446 RESID 231 (K): CA 57.370 57.370 58.779 -1.409 RESID 231 (K): CB 31.330 31.330 32.362 -1.032 RESID 231 (K): H 8.062 8.062 8.094 -0.032 RESID 232 (K): N 117.600 117.600 116.729 0.871 RESID 232 (K): C 176.800 176.800 179.187 -2.387 RESID 232 (K): CA 57.890 57.890 58.641 -0.751 RESID 232 (K): CB 31.150 31.150 32.559 -1.409 RESID 232 (K): H 7.053 7.053 7.456 -0.403 RESID 233 (Y): N 114.000 114.000 117.033 -3.033 RESID 233 (Y): C 175.100 175.100 175.782 -0.682 RESID 233 (Y): CA 58.110 58.110 61.219 -3.109 RESID 233 (Y): CB 39.360 39.360 38.929 0.431 RESID 233 (Y): H 7.013 7.013 8.008 -0.995 RESID 234 (F): N 116.400 116.400 113.527 2.873 RESID 234 (F): C 175.800 175.800 173.436 2.364 RESID 234 (F): CA 54.920 54.920 56.680 -1.760 RESID 234 (F): CB 41.260 41.260 42.803 -1.543 RESID 234 (F): H 8.038 8.038 8.188 -0.150 RESID 235 (D): N 123.000 123.000 121.050 1.950 RESID 235 (D): C 174.500 174.500 174.853 -0.353 RESID 235 (D): CA 52.680 52.680 53.342 -0.662 RESID 235 (D): CB 39.860 39.860 39.495 0.365 RESID 235 (D): H 8.879 8.879 8.559 0.320 RESID 236 (F): N 115.500 115.500 120.759 -5.259 RESID 236 (F): C 173.600 173.600 173.627 -0.027 RESID 236 (F): CA 53.950 53.950 56.744 -2.794 RESID 236 (F): CB 39.860 39.860 39.691 0.169 RESID 236 (F): H 6.793 6.793 7.445 -0.652 RESID 237 (D): N 119.700 119.700 121.956 -2.256 RESID 237 (D): C 175.800 175.800 177.126 -1.326 RESID 237 (D): CA 52.980 52.980 52.670 0.310 RESID 237 (D): CB 39.210 39.210 41.848 -2.638 RESID 237 (D): H 8.831 8.831 8.622 0.209 RESID 238 (V): N 129.900 129.900 122.473 7.427 RESID 238 (V): C 175.200 175.200 176.694 -1.494 RESID 238 (V): CA 61.840 61.840 65.070 -3.230 RESID 238 (V): CB 32.500 32.500 31.899 0.601 RESID 238 (V): H 7.376 7.376 8.330 -0.954 RESID 239 (Y): N 123.500 123.500 119.193 4.307 RESID 239 (Y): C 176.500 176.500 178.504 -2.004 RESID 239 (Y): CA 61.920 61.920 61.149 0.771 RESID 239 (Y): CB 38.010 38.010 37.740 0.270 RESID 239 (Y): H 8.314 8.314 7.807 0.507 RESID 240 (G): N 104.100 104.100 104.356 -0.256 RESID 240 (G): C 174.600 174.600 174.900 -0.300 RESID 240 (G): CA 45.930 45.930 45.327 0.604 RESID 240 (G): H 7.428 7.428 8.425 -0.997 N HA C CA CB H RESID 6 (P): ----- ----- -0.722 -0.624 -0.728 ----- RESID 7 (Q): -0.369 ----- -0.456 -0.644 -0.646 -0.306 RESID 8 (N): 1.997 ----- -0.261 -0.650 -1.440 -0.362 RESID 9 (I): -1.463 ----- -0.141 -0.608 -0.506 -0.733 RESID 10 (R): -0.951 ----- 0.743 -1.476 -0.682 0.965 RESID 11 (I): 3.330 ----- 0.320 0.252 -4.106 0.260 RESID 12 (G): 0.372 ----- -1.762 0.149 ----- 0.889 RESID 13 (T): -1.662 ----- 8.334 -0.274 -1.394 0.789 RESID 14 (D): -0.650 ----- 3.104 -0.428 -1.423 -0.413 RESID 15 (P): ----- ----- -1.102 -1.394 -4.465 ----- RESID 16 (T): 4.837 ----- 0.099 -2.580 -1.386 0.492 RESID 17 (Y): 3.986 ----- -0.445 -1.976 0.156 0.863 RESID 18 (A): 2.452 ----- -0.477 -4.567 -0.181 0.027 RESID 19 (P): ----- ----- -4.310 -2.353 0.189 ----- RESID 20 (F): 7.752 ----- 1.620 2.759 -3.101 -0.131 RESID 21 (E): -2.760 ----- -0.818 -0.796 -5.398 -0.767 RESID 22 (S): 4.104 ----- -0.784 -1.282 -1.219 0.442 RESID 23 (K): -2.114 ----- 2.541 -1.669 -1.756 -0.014 RESID 24 (N): 1.198 ----- 0.971 -1.463 -1.904 -0.026 RESID 25 (S): ----- ----- -0.001 0.036 -0.147 ----- RESID 26 (Q): -0.196 ----- -0.569 -0.367 -0.465 -0.339 RESID 27 (G): 1.050 ----- -0.372 -0.013 ----- 0.266 RESID 28 (E): 0.380 ----- 0.176 -1.505 -0.841 -0.222 RESID 29 (L): 2.352 ----- 0.423 0.613 -1.692 -0.050 RESID 30 (V): -4.160 ----- 1.699 -1.764 0.132 1.021 RESID 31 (G): -0.637 ----- 0.913 -1.382 ----- 1.120 RESID 32 (F): -2.658 ----- 2.021 -0.801 -0.319 0.172 RESID 33 (D): -2.475 ----- 0.977 -0.084 -1.825 1.295 RESID 34 (I): -1.055 ----- 0.030 -3.382 -4.319 -0.369 RESID 35 (D): 0.625 ----- 1.606 -0.312 0.133 0.729 RESID 36 (L): -0.342 ----- 0.499 -0.032 0.649 1.288 RESID 37 (A): -1.561 ----- -0.974 -0.080 -1.119 0.733 RESID 38 (K): -2.923 ----- 0.964 0.518 -0.529 0.612 RESID 39 (E): 2.113 ----- -1.076 -0.885 -1.508 -0.080 RESID 40 (L): 1.123 ----- -0.112 0.237 -1.522 0.732 RESID 41 (C): -2.758 ----- -1.664 -0.353 21.406 -0.036 RESID 42 (K): -0.353 ----- 1.683 -0.638 -0.926 -0.555 RESID 43 (R): 1.560 ----- 0.033 0.303 -0.235 0.451 RESID 44 (I): -5.726 ----- -0.832 -2.116 -1.575 -0.645 RESID 45 (N): 3.076 ----- -0.345 -0.956 0.706 -0.315 RESID 46 (T): 6.983 ----- 0.264 -0.252 -1.373 -0.008 RESID 47 (Q): 3.488 ----- 0.826 -0.557 -1.797 -0.327 RESID 48 (C): -0.653 ----- -0.580 -4.732 17.978 0.193 RESID 49 (T): -1.933 ----- 0.169 -1.042 -0.127 -0.560 RESID 50 (F): -2.088 ----- -0.145 0.031 0.404 0.352 RESID 51 (V): 2.618 ----- -0.011 -0.032 -1.689 0.129 RESID 52 (E): -2.033 ----- 1.694 -2.791 -1.047 -0.158 RESID 53 (N): 6.487 ----- -1.814 -0.316 5.681 0.689 RESID 54 (P): ----- ----- -0.118 -0.692 -1.463 ----- RESID 55 (L): 0.068 ----- 0.879 -1.102 0.064 0.338 RESID 56 (D): -3.642 ----- -0.826 -0.786 -0.534 0.118 RESID 57 (A): 0.494 ----- 1.045 -2.184 -0.483 -0.249 RESID 58 (L): 1.235 ----- -0.937 0.890 -1.719 -0.342 RESID 59 (I): -0.055 ----- 1.189 2.242 -0.582 1.311 RESID 60 (P): ----- ----- 0.827 -0.638 -1.272 ----- RESID 61 (S): -0.111 ----- -1.201 0.352 ----- -0.376 RESID 62 (L): 3.136 ----- 2.030 -0.324 0.040 0.083 RESID 63 (K): 1.966 ----- 0.080 0.336 -1.702 0.712 RESID 64 (A): -0.007 ----- -0.475 -0.311 -0.434 -0.287 RESID 65 (K): -1.767 ----- -0.502 -0.197 -2.192 0.075 RESID 66 (K): 2.874 ----- -0.507 -1.244 -0.843 0.642 RESID 67 (I): -4.993 ----- -1.373 0.016 -0.579 -0.202 RESID 68 (D): -2.963 ----- -3.559 0.235 1.570 1.307 RESID 69 (A): -0.899 ----- 1.053 -1.039 -0.217 -0.041 RESID 70 (I): -0.361 ----- 0.184 -0.612 0.176 1.356 RESID 71 (M): -0.827 ----- -1.314 -1.999 -0.139 0.193 RESID 72 (S): 2.117 ----- -1.005 0.966 -0.646 0.134 RESID 73 (S): 4.794 ----- 0.125 -0.960 0.118 -0.071 RESID 74 (L): -3.035 ----- -0.760 -1.338 -0.494 1.217 RESID 75 (S): 2.245 ----- 0.838 2.146 -1.708 0.282 RESID 76 (I): 9.576 ----- 0.897 1.778 -3.856 0.077 RESID 77 (T): 3.077 ----- -0.269 -2.232 -0.735 -1.012 RESID 78 (E): -0.397 ----- 1.614 -1.724 -0.642 0.026 RESID 79 (K): 0.106 ----- 1.566 -0.297 -0.691 0.045 RESID 80 (R): -0.329 ----- 0.145 0.377 0.310 0.279 RESID 81 (Q): -0.799 ----- -2.240 -1.631 0.331 0.098 RESID 82 (Q): -2.477 ----- -0.481 -1.169 -0.518 -0.677 RESID 83 (E): -2.139 ----- -0.902 -1.420 1.892 -0.296 RESID 84 (I): 3.241 ----- -1.333 0.480 -0.687 0.302 RESID 85 (A): 0.217 ----- -0.262 -1.121 0.857 0.257 RESID 86 (F): -3.592 ----- 2.983 -1.061 0.259 -0.334 RESID 87 (T): -6.772 ----- 0.901 0.775 2.651 -0.495 RESID 88 (D): -2.031 ----- -1.328 -0.754 1.052 -0.016 RESID 89 (K): 1.498 ----- -0.504 -1.705 0.309 -0.027 RESID 90 (L): -2.949 ----- 0.264 -2.869 -1.592 0.023 RESID 91 (Y): 0.488 ----- -1.078 0.520 -2.896 -0.383 RESID 92 (A): 0.557 ----- -1.162 0.844 0.721 -0.968 RESID 93 (A): -0.752 ----- -0.988 0.325 -0.030 0.274 RESID 94 (D): 1.129 ----- -0.835 -1.240 -0.241 0.759 RESID 95 (S): -1.907 ----- -1.479 0.463 -0.106 -1.038 RESID 96 (R): 4.543 ----- -0.153 1.553 -0.282 0.396 RESID 97 (L): -1.025 ----- 1.679 0.355 -1.759 1.291 RESID 98 (V): 0.847 ----- 0.710 0.916 0.471 1.465 RESID 99 (V): -5.391 ----- 0.743 -0.289 1.259 1.083 RESID 100 (A): 0.809 ----- 0.770 2.069 -1.836 0.674 RESID 101 (K): -4.001 ----- -0.229 0.387 -0.510 -1.074 RESID 102 (N): -1.139 ----- 0.255 -2.313 -1.613 -0.253 RESID 103 (S): 0.120 ----- 2.709 0.682 0.402 0.111 RESID 104 (D): -0.808 ----- 1.522 -1.032 -0.526 0.008 RESID 105 (I): -1.994 ----- -0.820 3.030 -3.049 -0.355 RESID 106 (Q): -0.414 ----- 0.872 -0.706 1.156 -0.310 RESID 107 (P): ----- ----- -0.496 -1.783 -4.152 ----- RESID 108 (T): -3.083 ----- -0.380 -3.937 -0.948 0.858 RESID 109 (V): -1.423 ----- 0.365 0.848 -2.189 0.291 RESID 110 (E): -3.935 ----- -0.271 -0.876 -0.876 0.021 RESID 111 (S): -0.194 ----- 0.583 -1.614 1.201 -1.053 RESID 112 (L): -4.324 ----- -0.001 -0.801 0.089 0.345 RESID 113 (K): 1.811 ----- 0.698 0.622 -1.405 -0.287 RESID 114 (G): 0.957 ----- -0.594 -0.111 ----- 0.098 RESID 115 (K): -1.121 ----- -1.308 -1.041 -1.307 0.661 RESID 116 (R): -1.446 ----- 0.578 -1.009 0.489 0.994 RESID 117 (V): 2.897 ----- 0.346 -0.125 -1.946 0.593 RESID 118 (G): 0.353 ----- -0.230 1.388 ----- 1.286 RESID 119 (V): -5.887 ----- 0.077 -2.181 -0.640 -0.140 RESID 120 (L): 0.267 ----- 1.236 -0.262 -1.407 0.144 RESID 121 (Q): 0.801 ----- -0.347 -0.413 -1.606 0.307 RESID 122 (G): 0.064 ----- 1.547 -0.235 ----- 0.615 RESID 123 (T): -1.655 ----- 2.393 0.255 2.898 -0.515 RESID 124 (T): 1.412 ----- 1.572 -0.680 -0.974 0.273 RESID 125 (Q): -1.821 ----- 0.214 1.900 -2.741 -0.755 RESID 126 (E): 2.146 ----- -1.294 -0.201 -0.907 -0.096 RESID 127 (T): 1.578 ----- -0.171 -0.472 -1.132 0.556 RESID 128 (F): -0.068 ----- 0.472 0.874 -0.115 0.280 RESID 129 (G): -0.138 ----- -0.390 -0.516 ----- -0.259 RESID 130 (N): 4.540 ----- 0.362 0.050 -0.627 0.337 RESID 131 (E): 2.297 ----- 0.804 1.236 -1.417 0.427 RESID 132 (H): -6.035 ----- 0.359 -1.880 0.704 -0.010 RESID 133 (W): 1.852 ----- 0.613 -0.972 0.664 0.159 RESID 134 (A): 0.770 ----- 0.483 0.791 -0.824 1.183 RESID 135 (P): ----- ----- -0.202 0.318 -0.185 ----- RESID 136 (K): -0.441 ----- -1.124 -2.394 -0.609 -0.468 RESID 137 (G): -2.245 ----- 0.783 0.369 ----- 0.200 RESID 138 (I): 5.043 ----- -0.386 0.357 -1.787 -0.585 RESID 139 (E): 1.180 ----- -1.195 0.463 -1.750 -0.101 RESID 140 (I): 7.861 ----- 1.337 -1.923 -6.159 0.285 RESID 141 (V): 7.777 ----- -0.099 -0.091 -3.779 0.411 RESID 142 (S): 2.801 ----- 1.479 0.357 -0.042 0.101 RESID 143 (Y): -2.652 ----- -0.481 -0.411 0.975 -0.287 RESID 144 (Q): -0.587 ----- 1.085 0.571 -1.389 0.230 RESID 145 (G): -0.527 ----- -0.658 -0.018 ----- -0.330 RESID 146 (Q): 1.416 ----- -0.147 -0.994 -0.438 0.088 RESID 147 (D): -0.548 ----- 0.416 -0.236 -0.846 -0.040 RESID 148 (N): -0.236 ----- -0.631 -0.444 0.599 -1.068 RESID 149 (I): 0.066 ----- -0.113 -0.609 -1.676 -0.297 RESID 150 (Y): -0.825 ----- 0.733 -1.946 -1.682 -0.498 RESID 151 (S): 2.096 ----- -0.015 -0.386 -0.123 -0.048 RESID 152 (D): -0.939 ----- 0.647 -0.292 -2.141 -0.170 RESID 153 (L): 2.942 ----- 1.753 0.614 -0.189 0.513 RESID 154 (T): -1.410 ----- 1.340 -1.491 -0.317 0.082 RESID 155 (A): 1.643 ----- 0.151 -0.687 -0.482 0.367 RESID 156 (G): 0.691 ----- -0.242 0.254 ----- -0.107 RESID 157 (R): -0.191 ----- 0.880 -0.323 -0.371 0.314 RESID 158 (I): -3.904 ----- -0.578 0.690 -1.022 -0.012 RESID 159 (D): -4.646 ----- -0.947 -0.395 1.913 0.180 RESID 160 (A): -0.058 ----- 0.580 -1.300 1.677 0.536 RESID 161 (A): 1.586 ----- -0.176 -0.551 -0.495 0.917 RESID 162 (F): 2.494 ----- -2.093 -3.737 0.608 0.553 RESID 163 (Q): 1.241 ----- -0.299 -0.087 1.240 -0.408 RESID 164 (D): 1.067 ----- -1.447 1.091 0.308 -0.137 RESID 165 (E): 5.760 ----- -0.408 0.099 0.193 -0.160 RESID 166 (V): 1.251 ----- 1.027 0.107 -0.192 0.557 RESID 167 (A): 3.107 ----- 3.407 0.257 -0.127 0.746 RESID 168 (A): -0.847 ----- 0.075 -0.370 0.330 0.474 RESID 169 (S): -0.916 ----- -0.549 -1.772 0.500 -0.106 RESID 170 (E): -4.521 ----- 1.560 -0.402 0.729 0.980 RESID 171 (G): -1.266 ----- -1.245 -0.257 ----- 0.811 RESID 172 (F): -2.400 ----- -2.485 -0.466 1.649 -1.063 RESID 173 (L): 0.058 ----- 0.702 0.808 -1.812 0.949 RESID 174 (K): -1.849 ----- 0.558 -0.835 -0.886 0.449 RESID 175 (Q): 1.718 ----- 2.063 0.297 -3.050 -0.126 RESID 176 (P): ----- ----- 1.990 0.685 -0.805 ----- RESID 177 (V): -4.998 ----- -1.986 -3.083 0.077 -0.200 RESID 178 (G): 3.935 ----- 0.212 -2.160 ----- -0.747 RESID 179 (K): 1.820 ----- -0.569 -0.093 -1.018 -0.456 RESID 180 (D): -0.134 ----- -1.962 -1.964 -1.693 0.583 RESID 181 (Y): 5.528 ----- -1.185 0.145 -0.503 0.325 RESID 182 (K): -1.852 ----- 0.623 -2.121 2.277 0.652 RESID 183 (F): -4.295 ----- 2.792 -1.313 -4.514 0.598 RESID 184 (G): 4.305 ----- -1.422 1.881 ----- 0.256 RESID 185 (G): 0.785 ----- -1.803 -1.043 ----- -0.777 RESID 186 (P): ----- ----- -0.704 -2.529 0.802 ----- RESID 187 (S): -6.716 ----- -0.342 0.451 -2.389 0.111 RESID 188 (V): 1.553 ----- 0.274 -0.549 -2.012 1.234 RESID 189 (K): 2.744 ----- 2.617 -1.502 -0.932 -0.009 RESID 190 (D): -1.822 ----- -1.587 2.169 2.176 0.543 RESID 191 (E): 2.510 ----- -0.267 0.874 -1.103 0.386 RESID 192 (K): -1.291 ----- 0.157 -0.779 -0.457 -0.860 RESID 193 (L): 0.168 ----- 0.033 -1.168 0.274 1.222 RESID 194 (F): 3.343 ----- 2.347 -2.772 -2.473 0.730 RESID 195 (G): -1.963 ----- -0.377 -0.797 ----- -0.140 RESID 196 (V): -11.485 ----- -0.521 -3.284 -1.522 -0.270 RESID 197 (G): 2.919 ----- 0.288 -2.054 ----- 0.536 RESID 198 (T): -4.157 ----- -0.357 -0.248 -0.251 -0.147 RESID 199 (G): -4.295 ----- -0.474 -1.791 ----- 0.070 RESID 200 (M): 1.968 ----- 0.169 0.402 -2.183 -0.271 RESID 201 (G): 1.796 ----- -0.650 0.240 ----- 0.397 RESID 202 (L): -0.116 ----- 0.080 0.925 -0.057 0.097 RESID 203 (R): 1.544 ----- 2.491 1.685 -1.638 2.134 RESID 204 (K): -1.237 ----- 0.526 -0.113 -0.307 0.559 RESID 205 (E): -3.326 ----- -0.197 -1.009 -1.133 0.797 RESID 206 (D): 5.326 ----- 0.767 0.044 -1.101 -0.776 RESID 207 (N): -0.237 ----- -0.073 0.596 -0.158 -0.874 RESID 208 (E): 1.440 ----- 1.498 0.907 -1.884 0.437 RESID 209 (L): 2.466 ----- -1.109 -0.151 -1.182 0.505 RESID 210 (R): 0.348 ----- -0.823 0.235 0.087 -0.739 RESID 211 (E): -3.058 ----- 1.261 -0.115 -0.993 0.529 RESID 212 (A): 0.814 ----- 1.644 0.094 -0.966 0.496 RESID 213 (L): 1.568 ----- -1.218 -0.490 0.235 0.304 RESID 214 (N): 2.719 ----- 1.847 -0.623 -0.798 0.091 RESID 215 (K): 2.472 ----- -0.118 -0.305 -0.742 -0.364 RESID 216 (A): 0.450 ----- -0.012 -0.750 0.432 -0.317 RESID 217 (F): -0.621 ----- 0.221 1.127 -1.065 0.600 RESID 218 (A): 0.092 ----- 2.424 -0.392 -1.341 -0.192 RESID 219 (E): 0.966 ----- -0.405 -0.266 -1.163 0.113 RESID 220 (M): 2.743 ----- 0.466 -2.058 0.166 0.129 RESID 221 (R): 0.836 ----- 0.409 -0.218 -2.372 0.243 RESID 222 (A): 0.390 ----- 0.369 -0.450 -0.515 0.098 RESID 223 (D): 0.420 ----- 0.638 -0.120 -0.869 0.111 RESID 224 (G): -2.147 ----- -0.005 -1.238 ----- -0.236 RESID 225 (T): 5.254 ----- 0.381 -0.246 -1.920 0.329 RESID 226 (Y): -0.202 ----- -0.901 0.160 0.076 0.398 RESID 227 (E): -0.525 ----- -0.493 -0.541 -0.309 -0.437 RESID 228 (K): -1.296 ----- 0.438 -0.240 -0.898 -0.829 RESID 229 (L): -0.270 ----- 0.468 -0.741 -0.334 -0.015 RESID 230 (A): -0.927 ----- 1.244 -0.651 -0.175 0.570 RESID 231 (K): -0.787 ----- -0.446 -1.409 -1.032 -0.032 RESID 232 (K): 0.871 ----- -2.387 -0.751 -1.409 -0.403 RESID 233 (Y): -3.033 ----- -0.682 -3.109 0.431 -0.995 RESID 234 (F): 2.873 ----- 2.364 -1.760 -1.543 -0.150 RESID 235 (D): 1.950 ----- -0.353 -0.662 0.365 0.320 RESID 236 (F): -5.259 ----- -0.027 -2.794 0.169 -0.652 RESID 237 (D): -2.256 ----- -1.326 0.310 -2.638 0.209 RESID 238 (V): 7.427 ----- -1.494 -3.230 0.601 -0.954 RESID 239 (Y): 4.307 ----- -2.004 0.771 0.270 0.507 RESID 240 (G): -0.256 ----- -0.300 0.604 ----- -0.997 DATA CS_STAT_INFO N RMS: 2.910 ppm Count: 226 Average Difference: -0.139 +/- 2.913 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.288 ppm Count: 236 Average Difference: -0.110 +/- 1.286 ppm DATA CS_STAT_INFO CA RMS: 1.336 ppm Count: 236 Average Difference: 0.525 +/- 1.231 ppm DATA CS_STAT_INFO CB RMS: 2.463 ppm Count: 215 Average Difference: 0.518 +/- 2.414 ppm DATA CS_STAT_INFO HN RMS: 0.586 ppm Count: 226 Average Difference: -0.125 +/- 0.574 ppm ############################################################################ For conformer 27: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.191 0.109 RESID 5 (I): C 174.300 174.300 174.348 -0.048 RESID 5 (I): CA 57.710 57.710 59.767 -2.057 RESID 5 (I): CB 37.260 37.260 37.758 -0.498 RESID 5 (I): H 7.868 7.868 8.239 -0.371 RESID 6 (P): C 176.100 176.100 176.808 -0.708 RESID 6 (P): CA 62.180 62.180 62.801 -0.621 RESID 6 (P): CB 31.620 31.620 32.347 -0.727 RESID 7 (Q): N 119.200 119.200 119.580 -0.380 RESID 7 (Q): C 175.600 175.600 175.999 -0.399 RESID 7 (Q): CA 57.190 57.190 57.853 -0.663 RESID 7 (Q): CB 28.500 28.500 29.141 -0.641 RESID 7 (Q): H 8.380 8.380 8.680 -0.300 RESID 8 (N): N 116.300 116.300 114.453 1.847 RESID 8 (N): C 173.600 173.600 173.891 -0.291 RESID 8 (N): CA 51.720 51.720 52.388 -0.668 RESID 8 (N): CB 40.540 40.540 41.817 -1.277 RESID 8 (N): H 7.472 7.472 7.804 -0.332 RESID 9 (I): N 121.000 121.000 123.440 -2.440 RESID 9 (I): C 174.700 174.700 174.875 -0.175 RESID 9 (I): CA 59.480 59.480 60.199 -0.719 RESID 9 (I): CB 39.740 39.740 39.617 0.123 RESID 9 (I): H 8.416 8.416 9.144 -0.728 RESID 10 (R): N 126.500 126.500 127.782 -1.282 RESID 10 (R): C 175.800 175.800 175.051 0.749 RESID 10 (R): CA 53.950 53.950 55.738 -1.788 RESID 10 (R): CB 30.670 30.670 30.915 -0.245 RESID 10 (R): H 9.098 9.098 8.709 0.389 RESID 11 (I): N 127.500 127.500 124.214 3.286 RESID 11 (I): C 175.600 175.600 175.261 0.339 RESID 11 (I): CA 59.480 59.480 59.382 0.098 RESID 11 (I): CB 37.460 37.460 41.443 -3.983 RESID 11 (I): H 9.279 9.279 9.003 0.276 RESID 12 (G): N 114.800 114.800 114.335 0.465 RESID 12 (G): C 171.700 171.700 172.972 -1.272 RESID 12 (G): CA 44.540 44.540 44.281 0.259 RESID 12 (G): H 9.382 9.382 8.603 0.779 RESID 13 (T): N 120.600 120.600 121.704 -1.104 RESID 13 (T): C 181.600 181.600 172.957 8.643 RESID 13 (T): CA 61.470 61.470 61.914 -0.444 RESID 13 (T): CB 69.970 69.970 71.595 -1.625 RESID 13 (T): H 8.594 8.594 7.989 0.605 RESID 14 (D): N 127.000 127.000 128.033 -1.033 RESID 14 (D): C 177.500 177.500 174.756 2.744 RESID 14 (D): CA 49.760 49.760 50.515 -0.755 RESID 14 (D): CB 40.580 40.580 42.530 -1.950 RESID 14 (D): H 8.200 8.200 8.707 -0.507 RESID 15 (P): C 175.400 175.400 176.528 -1.128 RESID 15 (P): CA 61.920 61.920 63.557 -1.637 RESID 15 (P): CB 27.890 27.890 32.291 -4.401 RESID 16 (T): N 116.200 116.200 111.236 4.964 RESID 16 (T): C 174.000 174.000 173.885 0.115 RESID 16 (T): CA 59.560 59.560 62.145 -2.584 RESID 16 (T): CB 68.650 68.650 70.045 -1.395 RESID 16 (T): H 8.739 8.739 8.251 0.488 RESID 17 (Y): N 125.800 125.800 121.829 3.971 RESID 17 (Y): C 175.200 175.200 175.668 -0.468 RESID 17 (Y): CA 54.180 54.180 56.112 -1.932 RESID 17 (Y): CB 38.700 38.700 38.471 0.229 RESID 17 (Y): H 8.943 8.943 8.084 0.859 RESID 18 (A): N 132.100 132.100 129.663 2.437 RESID 18 (A): C 176.000 176.000 176.462 -0.462 RESID 18 (A): CA 51.490 51.490 56.058 -4.568 RESID 18 (A): CB 16.070 16.070 16.236 -0.166 RESID 18 (A): H 8.945 8.945 8.919 0.026 RESID 19 (P): C 173.500 173.500 177.795 -4.295 RESID 19 (P): CA 62.890 62.890 65.244 -2.354 RESID 19 (P): CB 31.790 31.790 31.587 0.203 RESID 20 (F): N 125.100 125.100 117.323 7.777 RESID 20 (F): C 176.700 176.700 175.103 1.597 RESID 20 (F): CA 62.420 62.420 59.724 2.696 RESID 20 (F): CB 37.980 37.980 41.040 -3.060 RESID 20 (F): H 8.117 8.117 8.239 -0.122 RESID 21 (E): N 111.800 111.800 114.500 -2.700 RESID 21 (E): C 173.600 173.600 174.435 -0.835 RESID 21 (E): CA 54.400 54.400 55.235 -0.835 RESID 21 (E): CB 28.770 28.770 34.137 -5.367 RESID 21 (E): H 7.701 7.701 8.493 -0.792 RESID 22 (S): N 117.200 117.200 113.143 4.057 RESID 22 (S): C 171.500 171.500 172.280 -0.780 RESID 22 (S): CA 57.290 57.290 58.560 -1.270 RESID 22 (S): CB 62.940 62.940 64.157 -1.217 RESID 22 (S): H 8.750 8.750 8.314 0.436 RESID 23 (K): N 117.400 117.400 119.249 -1.849 RESID 23 (K): C 177.600 177.600 174.990 2.610 RESID 23 (K): CA 53.700 53.700 55.370 -1.670 RESID 23 (K): CB 33.330 33.330 35.145 -1.815 RESID 23 (K): H 8.238 8.238 8.231 0.007 RESID 24 (N): N 122.400 122.400 120.775 1.625 RESID 24 (N): C 178.000 178.000 176.945 1.055 RESID 24 (N): CA 50.600 50.600 51.884 -1.284 RESID 24 (N): CB 38.140 38.140 40.022 -1.882 RESID 24 (N): H 8.584 8.584 8.516 0.068 RESID 25 (S): C 175.400 175.400 175.424 -0.024 RESID 25 (S): CA 60.970 60.970 60.960 0.010 RESID 25 (S): CB 62.410 62.410 62.599 -0.188 RESID 26 (Q): N 119.300 119.300 119.488 -0.188 RESID 26 (Q): C 176.200 176.200 176.770 -0.570 RESID 26 (Q): CA 55.180 55.180 55.577 -0.397 RESID 26 (Q): CB 28.260 28.260 28.712 -0.452 RESID 26 (Q): H 7.520 7.520 7.881 -0.361 RESID 27 (G): N 108.800 108.800 107.563 1.237 RESID 27 (G): C 173.700 173.700 173.975 -0.275 RESID 27 (G): CA 45.050 45.050 44.988 0.062 RESID 27 (G): H 8.169 8.169 7.806 0.363 RESID 28 (E): N 121.200 121.200 119.544 1.656 RESID 28 (E): C 175.800 175.800 175.540 0.260 RESID 28 (E): CA 54.490 54.490 55.800 -1.310 RESID 28 (E): CB 29.750 29.750 30.732 -0.982 RESID 28 (E): H 7.836 7.836 8.126 -0.290 RESID 29 (L): N 123.500 123.500 121.061 2.439 RESID 29 (L): C 176.400 176.400 175.904 0.496 RESID 29 (L): CA 54.310 54.310 53.881 0.429 RESID 29 (L): CB 41.180 41.180 42.984 -1.804 RESID 29 (L): H 8.281 8.281 8.272 0.009 RESID 30 (V): N 118.200 118.200 122.337 -4.137 RESID 30 (V): C 175.300 175.300 173.650 1.650 RESID 30 (V): CA 58.360 58.360 60.137 -1.777 RESID 30 (V): CB 36.080 36.080 36.198 -0.118 RESID 30 (V): H 8.900 8.900 7.865 1.035 RESID 31 (G): N 109.800 109.800 109.844 -0.044 RESID 31 (G): C 174.400 174.400 173.530 0.870 RESID 31 (G): CA 43.830 43.830 45.164 -1.334 RESID 31 (G): H 8.611 8.611 7.435 1.176 RESID 32 (F): N 119.900 119.900 122.896 -2.996 RESID 32 (F): C 177.900 177.900 176.163 1.737 RESID 32 (F): CA 59.800 59.800 59.995 -0.195 RESID 32 (F): CB 38.950 38.950 39.319 -0.369 RESID 32 (F): H 8.295 8.295 8.276 0.019 RESID 33 (D): N 116.500 116.500 119.074 -2.574 RESID 33 (D): C 179.100 179.100 178.031 1.069 RESID 33 (D): CA 56.180 56.180 56.532 -0.352 RESID 33 (D): CB 38.610 38.610 40.214 -1.604 RESID 33 (D): H 8.935 8.935 7.202 1.733 RESID 34 (I): N 118.800 118.800 119.642 -0.842 RESID 34 (I): C 178.000 178.000 177.708 0.292 RESID 34 (I): CA 60.950 60.950 64.746 -3.796 RESID 34 (I): CB 33.620 33.620 37.807 -4.187 RESID 34 (I): H 6.535 6.535 7.732 -1.197 RESID 35 (D): N 121.000 121.000 120.348 0.652 RESID 35 (D): C 180.300 180.300 178.720 1.580 RESID 35 (D): CA 57.100 57.100 57.440 -0.340 RESID 35 (D): CB 40.420 40.420 40.352 0.068 RESID 35 (D): H 8.536 8.536 7.780 0.756 RESID 36 (L): N 120.500 120.500 120.952 -0.452 RESID 36 (L): C 178.500 178.500 177.985 0.515 RESID 36 (L): CA 57.720 57.720 57.788 -0.068 RESID 36 (L): CB 42.230 42.230 41.574 0.656 RESID 36 (L): H 8.508 8.508 7.217 1.291 RESID 37 (A): N 120.200 120.200 121.845 -1.645 RESID 37 (A): C 178.600 178.600 179.510 -0.910 RESID 37 (A): CA 55.170 55.170 55.335 -0.165 RESID 37 (A): CB 17.340 17.340 18.405 -1.065 RESID 37 (A): H 8.383 8.383 7.635 0.748 RESID 38 (K): N 116.400 116.400 119.267 -2.867 RESID 38 (K): C 180.100 180.100 179.164 0.936 RESID 38 (K): CA 60.530 60.530 60.022 0.508 RESID 38 (K): CB 31.840 31.840 32.337 -0.497 RESID 38 (K): H 8.780 8.780 8.102 0.678 RESID 39 (E): N 121.500 121.500 119.332 2.168 RESID 39 (E): C 178.300 178.300 179.393 -1.093 RESID 39 (E): CA 58.430 58.430 59.329 -0.899 RESID 39 (E): CB 27.990 27.990 29.516 -1.526 RESID 39 (E): H 7.692 7.692 7.788 -0.096 RESID 40 (L): N 121.500 121.500 120.392 1.108 RESID 40 (L): C 178.700 178.700 178.837 -0.137 RESID 40 (L): CA 58.490 58.490 58.266 0.224 RESID 40 (L): CB 40.250 40.250 41.752 -1.502 RESID 40 (L): H 8.563 8.563 7.941 0.622 RESID 41 (C): N 115.700 115.700 118.532 -2.832 RESID 41 (C): C 175.800 175.800 177.474 -1.674 RESID 41 (C): CA 62.390 62.390 62.791 -0.401 RESID 41 (C): CB 46.860 46.860 25.450 21.410 RESID 41 (C): H 8.598 8.598 8.769 -0.171 RESID 42 (K): N 119.300 119.300 119.573 -0.273 RESID 42 (K): C 180.800 180.800 179.174 1.626 RESID 42 (K): CA 58.810 58.810 59.459 -0.648 RESID 42 (K): CB 31.430 31.430 32.356 -0.926 RESID 42 (K): H 7.490 7.490 8.079 -0.589 RESID 43 (R): N 119.500 119.500 118.113 1.387 RESID 43 (R): C 178.700 178.700 178.675 0.025 RESID 43 (R): CA 58.760 58.760 58.472 0.288 RESID 43 (R): CB 29.980 29.980 30.203 -0.223 RESID 43 (R): H 8.057 8.057 7.550 0.507 RESID 44 (I): N 111.800 111.800 117.529 -5.729 RESID 44 (I): C 175.000 175.000 175.818 -0.818 RESID 44 (I): CA 60.940 60.940 63.107 -2.167 RESID 44 (I): CB 36.630 36.630 38.170 -1.540 RESID 44 (I): H 7.765 7.765 8.466 -0.701 RESID 45 (N): N 118.800 118.800 115.724 3.076 RESID 45 (N): C 173.600 173.600 173.941 -0.341 RESID 45 (N): CA 53.670 53.670 54.617 -0.947 RESID 45 (N): CB 36.620 36.620 35.918 0.702 RESID 45 (N): H 7.752 7.752 8.019 -0.267 RESID 46 (T): N 112.800 112.800 105.664 7.136 RESID 46 (T): C 173.100 173.100 172.791 0.309 RESID 46 (T): CA 60.020 60.020 60.332 -0.312 RESID 46 (T): CB 70.500 70.500 71.805 -1.305 RESID 46 (T): H 7.920 7.920 7.956 -0.036 RESID 47 (Q): N 123.500 123.500 119.921 3.579 RESID 47 (Q): C 175.400 175.400 174.578 0.822 RESID 47 (Q): CA 54.550 54.550 55.059 -0.509 RESID 47 (Q): CB 28.670 28.670 30.605 -1.935 RESID 47 (Q): H 8.037 8.037 8.299 -0.262 RESID 48 (C): N 123.800 123.800 124.168 -0.368 RESID 48 (C): C 173.800 173.800 174.465 -0.665 RESID 48 (C): CA 53.170 53.170 57.814 -4.644 RESID 48 (C): CB 47.290 47.290 29.449 17.841 RESID 48 (C): H 8.881 8.881 8.674 0.207 RESID 49 (T): N 118.600 118.600 120.618 -2.018 RESID 49 (T): C 172.700 172.700 172.551 0.149 RESID 49 (T): CA 60.210 60.210 61.247 -1.037 RESID 49 (T): CB 70.980 70.980 71.055 -0.075 RESID 49 (T): H 8.324 8.324 8.826 -0.502 RESID 50 (F): N 123.800 123.800 125.985 -2.185 RESID 50 (F): C 175.800 175.800 175.922 -0.122 RESID 50 (F): CA 57.370 57.370 57.413 -0.043 RESID 50 (F): CB 40.730 40.730 40.240 0.490 RESID 50 (F): H 8.982 8.982 8.645 0.337 RESID 51 (V): N 126.300 126.300 123.860 2.440 RESID 51 (V): C 174.700 174.700 174.744 -0.044 RESID 51 (V): CA 60.650 60.650 60.678 -0.028 RESID 51 (V): CB 33.700 33.700 35.328 -1.628 RESID 51 (V): H 9.271 9.271 9.063 0.208 RESID 52 (E): N 126.900 126.900 129.060 -2.160 RESID 52 (E): C 176.900 176.900 175.234 1.666 RESID 52 (E): CA 54.480 54.480 57.285 -2.805 RESID 52 (E): CB 29.350 29.350 30.372 -1.022 RESID 52 (E): H 8.617 8.617 8.773 -0.156 RESID 53 (N): N 127.100 127.100 120.181 6.919 RESID 53 (N): C 170.600 170.600 172.399 -1.799 RESID 53 (N): CA 51.220 51.220 51.416 -0.196 RESID 53 (N): CB 43.980 43.980 38.671 5.309 RESID 53 (N): H 8.917 8.917 8.257 0.660 RESID 54 (P): C 178.600 178.600 178.645 -0.045 RESID 54 (P): CA 61.650 61.650 62.374 -0.724 RESID 54 (P): CB 31.460 31.460 33.226 -1.766 RESID 55 (L): N 124.200 124.200 124.175 0.025 RESID 55 (L): C 179.600 179.600 178.719 0.881 RESID 55 (L): CA 58.130 58.130 59.235 -1.105 RESID 55 (L): CB 41.470 41.470 41.460 0.010 RESID 55 (L): H 9.096 9.096 8.686 0.410 RESID 56 (D): N 115.400 115.400 119.012 -3.612 RESID 56 (D): C 176.500 176.500 177.327 -0.827 RESID 56 (D): CA 56.080 56.080 56.855 -0.775 RESID 56 (D): CB 39.640 39.640 40.183 -0.543 RESID 56 (D): H 8.651 8.651 8.530 0.121 RESID 57 (A): N 120.400 120.400 119.936 0.464 RESID 57 (A): C 180.000 180.000 178.963 1.037 RESID 57 (A): CA 51.440 51.440 53.613 -2.173 RESID 57 (A): CB 19.170 19.170 19.642 -0.472 RESID 57 (A): H 8.079 8.079 8.344 -0.265 RESID 58 (L): N 122.300 122.300 121.185 1.115 RESID 58 (L): C 177.800 177.800 178.756 -0.956 RESID 58 (L): CA 58.960 58.960 58.105 0.855 RESID 58 (L): CB 40.150 40.150 41.908 -1.758 RESID 58 (L): H 7.783 7.783 8.083 -0.300 RESID 59 (I): N 119.600 119.600 119.480 0.120 RESID 59 (I): C 176.400 176.400 175.151 1.249 RESID 59 (I): CA 68.170 68.170 66.521 1.649 RESID 59 (I): CB 33.980 33.980 34.689 -0.709 RESID 59 (I): H 9.094 9.094 7.708 1.386 RESID 60 (P): C 180.100 180.100 179.226 0.874 RESID 60 (P): CA 65.890 65.890 66.487 -0.597 RESID 60 (P): CB 29.980 29.980 31.260 -1.280 RESID 61 (S): N 114.800 114.800 114.927 -0.127 RESID 61 (S): C 175.500 175.500 176.708 -1.208 RESID 61 (S): CA 62.170 62.170 61.780 0.390 RESID 61 (S): H 7.865 7.865 8.212 -0.347 RESID 62 (L): N 126.200 126.200 123.018 3.182 RESID 62 (L): C 181.000 181.000 179.056 1.944 RESID 62 (L): CA 57.400 57.400 57.751 -0.351 RESID 62 (L): CB 41.820 41.820 41.810 0.010 RESID 62 (L): H 8.296 8.296 8.109 0.187 RESID 63 (K): N 121.000 121.000 119.143 1.857 RESID 63 (K): C 178.000 178.000 178.246 -0.246 RESID 63 (K): CA 59.500 59.500 59.264 0.235 RESID 63 (K): CB 30.770 30.770 32.466 -1.696 RESID 63 (K): H 8.461 8.461 7.716 0.745 RESID 64 (A): N 118.700 118.700 118.505 0.195 RESID 64 (A): C 176.200 176.200 176.656 -0.456 RESID 64 (A): CA 51.680 51.680 51.920 -0.241 RESID 64 (A): CB 18.140 18.140 18.453 -0.313 RESID 64 (A): H 7.686 7.686 7.890 -0.204 RESID 65 (K): N 112.200 112.200 114.001 -1.801 RESID 65 (K): C 176.000 176.000 176.454 -0.454 RESID 65 (K): CA 57.800 57.800 57.966 -0.166 RESID 65 (K): CB 27.730 27.730 29.885 -2.155 RESID 65 (K): H 7.751 7.751 7.695 0.056 RESID 66 (K): N 118.300 118.300 115.421 2.879 RESID 66 (K): C 176.600 176.600 177.152 -0.552 RESID 66 (K): CA 57.200 57.200 58.466 -1.266 RESID 66 (K): CB 32.170 32.170 33.011 -0.841 RESID 66 (K): H 8.415 8.415 7.830 0.585 RESID 67 (I): N 107.500 107.500 112.646 -5.146 RESID 67 (I): C 174.000 174.000 175.412 -1.412 RESID 67 (I): CA 59.050 59.050 59.065 -0.015 RESID 67 (I): CB 40.470 40.470 41.004 -0.534 RESID 67 (I): H 7.034 7.034 7.261 -0.227 RESID 68 (D): N 119.000 119.000 122.451 -3.451 RESID 68 (D): C 172.200 172.200 175.948 -3.748 RESID 68 (D): CA 55.560 55.560 55.304 0.256 RESID 68 (D): CB 44.210 44.210 42.511 1.699 RESID 68 (D): H 9.739 9.739 8.483 1.256 RESID 69 (A): N 117.400 117.400 118.303 -0.903 RESID 69 (A): C 175.900 175.900 174.816 1.084 RESID 69 (A): CA 50.120 50.120 51.166 -1.046 RESID 69 (A): CB 21.960 21.960 22.156 -0.196 RESID 69 (A): H 7.660 7.660 7.774 -0.114 RESID 70 (I): N 120.500 120.500 120.892 -0.392 RESID 70 (I): C 174.500 174.500 174.511 -0.011 RESID 70 (I): CA 60.060 60.060 60.629 -0.569 RESID 70 (I): CB 41.190 41.190 40.913 0.277 RESID 70 (I): H 9.402 9.402 8.129 1.273 RESID 71 (M): N 128.300 128.300 129.285 -0.985 RESID 71 (M): C 172.500 172.500 173.729 -1.229 RESID 71 (M): CA 53.040 53.040 55.053 -2.013 RESID 71 (M): CB 33.940 33.940 34.190 -0.250 RESID 71 (M): H 8.431 8.431 8.218 0.213 RESID 72 (S): N 122.700 122.700 120.092 2.608 RESID 72 (S): C 172.800 172.800 174.731 -1.931 RESID 72 (S): CA 57.630 57.630 56.577 1.053 RESID 72 (S): CB 64.590 64.590 65.149 -0.559 RESID 72 (S): H 8.717 8.717 8.571 0.146 RESID 73 (S): N 120.600 120.600 115.625 4.975 RESID 73 (S): C 174.900 174.900 174.824 0.076 RESID 73 (S): CA 58.590 58.590 59.628 -1.038 RESID 73 (S): CB 62.920 62.920 62.782 0.138 RESID 73 (S): H 8.570 8.570 8.655 -0.085 RESID 74 (L): N 120.700 120.700 124.345 -3.645 RESID 74 (L): C 175.300 175.300 175.854 -0.554 RESID 74 (L): CA 54.320 54.320 55.715 -1.395 RESID 74 (L): CB 42.350 42.350 42.866 -0.516 RESID 74 (L): H 8.678 8.678 7.334 1.344 RESID 75 (S): N 122.000 122.000 119.796 2.204 RESID 75 (S): C 174.500 174.500 173.671 0.829 RESID 75 (S): CA 59.250 59.250 57.216 2.034 RESID 75 (S): CB 63.060 63.060 64.657 -1.597 RESID 75 (S): H 8.142 8.142 7.861 0.281 RESID 76 (I): N 125.200 125.200 115.802 9.398 RESID 76 (I): C 175.500 175.500 174.631 0.869 RESID 76 (I): CA 61.340 61.340 59.530 1.810 RESID 76 (I): CB 35.790 35.790 39.623 -3.833 RESID 76 (I): H 8.307 8.307 8.284 0.023 RESID 77 (T): N 116.600 116.600 113.529 3.071 RESID 77 (T): C 174.800 174.800 175.089 -0.289 RESID 77 (T): CA 57.760 57.760 59.952 -2.192 RESID 77 (T): CB 71.570 71.570 72.314 -0.744 RESID 77 (T): H 6.513 6.513 7.523 -1.010 RESID 78 (E): N 124.500 124.500 124.913 -0.413 RESID 78 (E): C 179.500 179.500 177.891 1.609 RESID 78 (E): CA 59.140 59.140 60.874 -1.734 RESID 78 (E): CB 28.630 28.630 29.262 -0.632 RESID 78 (E): H 8.935 8.935 8.924 0.011 RESID 79 (K): N 118.400 118.400 118.355 0.045 RESID 79 (K): C 180.600 180.600 179.067 1.533 RESID 79 (K): CA 58.890 58.890 59.199 -0.309 RESID 79 (K): CB 31.610 31.610 32.299 -0.689 RESID 79 (K): H 8.415 8.415 8.366 0.049 RESID 80 (R): N 118.500 118.500 118.835 -0.335 RESID 80 (R): C 179.100 179.100 178.959 0.141 RESID 80 (R): CA 59.580 59.580 59.230 0.351 RESID 80 (R): CB 30.380 30.380 30.098 0.282 RESID 80 (R): H 7.678 7.678 7.409 0.269 RESID 81 (Q): N 119.000 119.000 119.728 -0.728 RESID 81 (Q): C 176.600 176.600 178.969 -2.369 RESID 81 (Q): CA 57.510 57.510 58.995 -1.485 RESID 81 (Q): CB 28.880 28.880 28.580 0.300 RESID 81 (Q): H 8.418 8.418 8.297 0.121 RESID 82 (Q): N 115.300 115.300 117.697 -2.397 RESID 82 (Q): C 177.400 177.400 177.808 -0.408 RESID 82 (Q): CA 57.280 57.280 58.353 -1.073 RESID 82 (Q): CB 27.950 27.950 28.508 -0.558 RESID 82 (Q): H 7.297 7.297 7.952 -0.655 RESID 83 (E): N 115.600 115.600 117.698 -2.098 RESID 83 (E): C 176.400 176.400 177.307 -0.907 RESID 83 (E): CA 56.950 56.950 58.338 -1.388 RESID 83 (E): CB 33.090 33.090 31.205 1.885 RESID 83 (E): H 7.627 7.627 7.925 -0.298 RESID 84 (I): N 115.100 115.100 111.872 3.228 RESID 84 (I): C 172.600 172.600 173.923 -1.323 RESID 84 (I): CA 59.380 59.380 58.920 0.460 RESID 84 (I): CB 40.830 40.830 41.503 -0.673 RESID 84 (I): H 8.275 8.275 8.000 0.275 RESID 85 (A): N 120.600 120.600 120.373 0.227 RESID 85 (A): C 175.000 175.000 175.209 -0.209 RESID 85 (A): CA 49.150 49.150 50.230 -1.080 RESID 85 (A): CB 22.280 22.280 21.520 0.760 RESID 85 (A): H 8.679 8.679 8.460 0.219 RESID 86 (F): N 115.500 115.500 118.895 -3.395 RESID 86 (F): C 178.800 178.800 175.865 2.935 RESID 86 (F): CA 55.850 55.850 56.768 -0.918 RESID 86 (F): CB 44.300 44.300 44.030 0.270 RESID 86 (F): H 8.283 8.283 8.611 -0.328 RESID 87 (T): N 108.200 108.200 114.767 -6.567 RESID 87 (T): C 174.700 174.700 173.816 0.884 RESID 87 (T): CA 61.930 61.930 61.020 0.910 RESID 87 (T): CB 72.740 72.740 70.140 2.600 RESID 87 (T): H 7.898 7.898 8.321 -0.423 RESID 88 (D): N 118.400 118.400 120.596 -2.196 RESID 88 (D): C 174.300 174.300 175.721 -1.421 RESID 88 (D): CA 55.030 55.030 55.838 -0.808 RESID 88 (D): CB 40.870 40.870 39.841 1.029 RESID 88 (D): H 8.789 8.789 8.832 -0.043 RESID 89 (K): N 118.100 118.100 116.736 1.364 RESID 89 (K): C 176.200 176.200 176.846 -0.646 RESID 89 (K): CA 55.570 55.570 57.231 -1.661 RESID 89 (K): CB 31.850 31.850 31.507 0.343 RESID 89 (K): H 7.666 7.666 7.723 -0.057 RESID 90 (L): N 123.400 123.400 125.934 -2.534 RESID 90 (L): C 178.000 178.000 177.852 0.148 RESID 90 (L): CA 54.450 54.450 57.156 -2.706 RESID 90 (L): CB 41.710 41.710 43.045 -1.335 RESID 90 (L): H 8.778 8.778 8.580 0.198 RESID 91 (Y): N 110.500 110.500 110.083 0.417 RESID 91 (Y): C 172.600 172.600 173.650 -1.050 RESID 91 (Y): CA 56.070 56.070 55.699 0.371 RESID 91 (Y): CB 37.670 37.670 40.551 -2.881 RESID 91 (Y): H 6.810 6.810 7.257 -0.447 RESID 92 (A): N 123.100 123.100 122.468 0.632 RESID 92 (A): C 175.600 175.600 176.673 -1.073 RESID 92 (A): CA 51.940 51.940 51.014 0.926 RESID 92 (A): CB 20.320 20.320 19.573 0.747 RESID 92 (A): H 8.135 8.135 9.068 -0.933 RESID 93 (A): N 127.000 127.000 127.773 -0.773 RESID 93 (A): C 175.700 175.700 176.626 -0.926 RESID 93 (A): CA 51.020 51.020 50.607 0.413 RESID 93 (A): CB 18.310 18.310 18.372 -0.062 RESID 93 (A): H 8.658 8.658 8.217 0.441 RESID 94 (D): N 122.900 122.900 121.613 1.287 RESID 94 (D): C 175.300 175.300 176.132 -0.832 RESID 94 (D): CA 53.910 53.910 55.161 -1.251 RESID 94 (D): CB 42.030 42.030 42.245 -0.215 RESID 94 (D): H 8.497 8.497 7.748 0.749 RESID 95 (S): N 110.300 110.300 112.159 -1.859 RESID 95 (S): C 171.600 171.600 173.080 -1.480 RESID 95 (S): CA 57.850 57.850 57.389 0.461 RESID 95 (S): CB 66.410 66.410 66.524 -0.114 RESID 95 (S): H 6.844 6.844 7.882 -1.038 RESID 96 (R): N 124.300 124.300 119.784 4.516 RESID 96 (R): C 173.700 173.700 173.848 -0.148 RESID 96 (R): CA 57.450 57.450 55.909 1.541 RESID 96 (R): CB 34.070 34.070 34.367 -0.297 RESID 96 (R): H 9.227 9.227 8.854 0.373 RESID 97 (L): N 124.100 124.100 125.075 -0.975 RESID 97 (L): C 177.600 177.600 175.920 1.680 RESID 97 (L): CA 54.150 54.150 53.846 0.304 RESID 97 (L): CB 42.640 42.640 44.400 -1.760 RESID 97 (L): H 9.343 9.343 8.082 1.261 RESID 98 (V): N 124.500 124.500 123.694 0.806 RESID 98 (V): C 175.700 175.700 174.997 0.703 RESID 98 (V): CA 61.770 61.770 60.894 0.876 RESID 98 (V): CB 32.950 32.950 32.556 0.394 RESID 98 (V): H 9.500 9.500 8.032 1.468 RESID 99 (V): N 116.800 116.800 122.191 -5.391 RESID 99 (V): C 174.600 174.600 173.892 0.708 RESID 99 (V): CA 58.190 58.190 58.451 -0.261 RESID 99 (V): CB 36.780 36.780 35.581 1.199 RESID 99 (V): H 9.192 9.192 8.223 0.970 RESID 100 (A): N 123.400 123.400 122.627 0.773 RESID 100 (A): C 179.200 179.200 178.445 0.755 RESID 100 (A): CA 52.690 52.690 50.660 2.030 RESID 100 (A): CB 18.160 18.160 20.034 -1.874 RESID 100 (A): H 9.043 9.043 8.383 0.660 RESID 101 (K): N 119.600 119.600 123.627 -4.027 RESID 101 (K): C 176.800 176.800 177.037 -0.237 RESID 101 (K): CA 59.360 59.360 58.979 0.381 RESID 101 (K): CB 31.380 31.380 31.882 -0.502 RESID 101 (K): H 7.840 7.840 8.913 -1.073 RESID 102 (N): N 114.400 114.400 115.565 -1.165 RESID 102 (N): C 175.500 175.500 175.249 0.251 RESID 102 (N): CA 52.330 52.330 54.650 -2.320 RESID 102 (N): CB 36.990 36.990 38.608 -1.618 RESID 102 (N): H 7.941 7.941 8.198 -0.258 RESID 103 (S): N 114.800 114.800 114.680 0.120 RESID 103 (S): C 176.000 176.000 173.290 2.710 RESID 103 (S): CA 58.180 58.180 57.487 0.693 RESID 103 (S): CB 64.310 64.310 63.903 0.407 RESID 103 (S): H 7.700 7.700 7.594 0.106 RESID 104 (D): N 128.500 128.500 129.299 -0.799 RESID 104 (D): C 176.700 176.700 175.181 1.519 RESID 104 (D): CA 52.990 52.990 54.011 -1.021 RESID 104 (D): CB 40.330 40.330 40.881 -0.551 RESID 104 (D): H 8.548 8.548 8.546 0.002 RESID 105 (I): N 122.800 122.800 124.905 -2.105 RESID 105 (I): C 173.800 173.800 174.652 -0.852 RESID 105 (I): CA 63.580 63.580 60.546 3.034 RESID 105 (I): CB 37.490 37.490 40.472 -2.982 RESID 105 (I): H 7.826 7.826 8.188 -0.362 RESID 106 (Q): N 124.600 124.600 125.125 -0.525 RESID 106 (Q): C 174.700 174.700 173.882 0.818 RESID 106 (Q): CA 51.380 51.380 52.111 -0.731 RESID 106 (Q): CB 31.050 31.050 29.762 1.288 RESID 106 (Q): H 8.174 8.174 8.480 -0.306 RESID 107 (P): C 175.300 175.300 175.797 -0.497 RESID 107 (P): CA 61.880 61.880 63.648 -1.768 RESID 107 (P): CB 26.860 26.860 30.970 -4.110 RESID 108 (T): N 114.600 114.600 117.646 -3.046 RESID 108 (T): C 174.000 174.000 174.387 -0.387 RESID 108 (T): CA 57.690 57.690 61.635 -3.945 RESID 108 (T): CB 71.020 71.020 71.988 -0.968 RESID 108 (T): H 8.531 8.531 7.697 0.834 RESID 109 (V): N 121.800 121.800 123.273 -1.473 RESID 109 (V): C 177.300 177.300 176.931 0.369 RESID 109 (V): CA 65.600 65.600 64.739 0.861 RESID 109 (V): CB 30.580 30.580 32.765 -2.185 RESID 109 (V): H 8.775 8.775 8.486 0.289 RESID 110 (E): N 116.900 116.900 120.833 -3.933 RESID 110 (E): C 178.400 178.400 178.674 -0.274 RESID 110 (E): CA 59.260 59.260 60.133 -0.873 RESID 110 (E): CB 28.170 28.170 29.047 -0.877 RESID 110 (E): H 8.414 8.414 8.390 0.024 RESID 111 (S): N 113.200 113.200 113.451 -0.251 RESID 111 (S): C 176.500 176.500 175.924 0.576 RESID 111 (S): CA 59.370 59.370 60.991 -1.621 RESID 111 (S): CB 63.730 63.730 62.515 1.215 RESID 111 (S): H 7.387 7.387 8.445 -1.058 RESID 112 (L): N 116.100 116.100 120.391 -4.291 RESID 112 (L): C 176.700 176.700 176.699 0.001 RESID 112 (L): CA 54.580 54.580 55.369 -0.789 RESID 112 (L): CB 42.650 42.650 42.562 0.088 RESID 112 (L): H 7.676 7.676 7.328 0.348 RESID 113 (K): N 121.000 121.000 119.198 1.802 RESID 113 (K): C 178.200 178.200 177.512 0.688 RESID 113 (K): CA 58.850 58.850 58.235 0.615 RESID 113 (K): CB 30.850 30.850 32.264 -1.415 RESID 113 (K): H 7.445 7.445 7.751 -0.306 RESID 114 (G): N 113.900 113.900 112.886 1.014 RESID 114 (G): C 174.200 174.200 174.791 -0.591 RESID 114 (G): CA 45.240 45.240 45.378 -0.138 RESID 114 (G): H 8.454 8.454 8.358 0.096 RESID 115 (K): N 120.600 120.600 121.665 -1.065 RESID 115 (K): C 174.800 174.800 176.115 -1.315 RESID 115 (K): CA 53.710 53.710 54.711 -1.001 RESID 115 (K): CB 31.990 31.990 33.295 -1.305 RESID 115 (K): H 8.530 8.530 7.865 0.665 RESID 116 (R): N 119.300 119.300 120.828 -1.528 RESID 116 (R): C 176.000 176.000 175.680 0.320 RESID 116 (R): CA 54.720 54.720 55.742 -1.022 RESID 116 (R): CB 32.310 32.310 31.687 0.623 RESID 116 (R): H 9.455 9.455 8.477 0.978 RESID 117 (V): N 126.100 126.100 123.105 2.995 RESID 117 (V): C 175.300 175.300 174.712 0.588 RESID 117 (V): CA 60.090 60.090 60.191 -0.101 RESID 117 (V): CB 33.620 33.620 35.963 -2.343 RESID 117 (V): H 9.217 9.217 8.574 0.643 RESID 118 (G): N 114.000 114.000 113.369 0.631 RESID 118 (G): C 172.300 172.300 172.587 -0.287 RESID 118 (G): CA 45.010 45.010 43.559 1.451 RESID 118 (G): H 9.367 9.367 8.026 1.341 RESID 119 (V): N 116.400 116.400 122.396 -5.996 RESID 119 (V): C 174.100 174.100 174.032 0.068 RESID 119 (V): CA 58.270 58.270 60.448 -2.178 RESID 119 (V): CB 36.370 36.370 36.989 -0.619 RESID 119 (V): H 9.166 9.166 9.307 -0.141 RESID 120 (L): N 124.400 124.400 124.170 0.230 RESID 120 (L): C 176.900 176.900 175.667 1.233 RESID 120 (L): CA 53.690 53.690 53.978 -0.288 RESID 120 (L): CB 41.240 41.240 42.650 -1.410 RESID 120 (L): H 8.961 8.961 8.826 0.135 RESID 121 (Q): N 128.000 128.000 127.192 0.808 RESID 121 (Q): C 176.900 176.900 177.239 -0.339 RESID 121 (Q): CA 56.680 56.680 57.099 -0.419 RESID 121 (Q): CB 27.920 27.920 29.536 -1.616 RESID 121 (Q): H 9.305 9.305 9.005 0.300 RESID 122 (G): N 113.600 113.600 113.534 0.066 RESID 122 (G): C 175.100 175.100 173.562 1.538 RESID 122 (G): CA 45.240 45.240 45.477 -0.237 RESID 122 (G): H 9.383 9.383 8.730 0.653 RESID 123 (T): N 108.400 108.400 110.119 -1.719 RESID 123 (T): C 176.800 176.800 174.410 2.390 RESID 123 (T): CA 60.260 60.260 60.015 0.245 RESID 123 (T): CB 73.530 73.530 70.632 2.898 RESID 123 (T): H 7.220 7.220 7.742 -0.522 RESID 124 (T): N 113.900 113.900 112.573 1.327 RESID 124 (T): C 178.100 178.100 176.527 1.573 RESID 124 (T): CA 63.990 63.990 64.716 -0.726 RESID 124 (T): CB 67.740 67.740 68.707 -0.967 RESID 124 (T): H 8.934 8.934 8.661 0.273 RESID 125 (Q): N 120.600 120.600 122.401 -1.801 RESID 125 (Q): C 178.300 178.300 178.098 0.202 RESID 125 (Q): CA 61.670 61.670 59.753 1.917 RESID 125 (Q): CB 25.310 25.310 28.047 -2.737 RESID 125 (Q): H 7.521 7.521 8.275 -0.754 RESID 126 (E): N 121.900 121.900 119.771 2.129 RESID 126 (E): C 177.600 177.600 178.896 -1.296 RESID 126 (E): CA 59.630 59.630 59.840 -0.210 RESID 126 (E): CB 28.730 28.730 29.639 -0.909 RESID 126 (E): H 7.717 7.717 7.811 -0.094 RESID 127 (T): N 117.800 117.800 116.202 1.598 RESID 127 (T): C 176.200 176.200 176.375 -0.175 RESID 127 (T): CA 66.340 66.340 66.833 -0.493 RESID 127 (T): CB 67.590 67.590 68.729 -1.139 RESID 127 (T): H 8.175 8.175 7.617 0.558 RESID 128 (F): N 121.900 121.900 121.975 -0.075 RESID 128 (F): C 178.000 178.000 177.534 0.466 RESID 128 (F): CA 61.590 61.590 60.718 0.872 RESID 128 (F): CB 38.810 38.810 38.925 -0.115 RESID 128 (F): H 8.882 8.882 8.607 0.275 RESID 129 (G): N 107.000 107.000 107.127 -0.127 RESID 129 (G): C 176.100 176.100 176.488 -0.388 RESID 129 (G): CA 46.690 46.690 47.219 -0.529 RESID 129 (G): H 8.900 8.900 9.171 -0.271 RESID 130 (N): N 123.000 123.000 118.460 4.540 RESID 130 (N): C 176.200 176.200 175.842 0.358 RESID 130 (N): CA 55.400 55.400 55.348 0.052 RESID 130 (N): CB 37.570 37.570 38.197 -0.627 RESID 130 (N): H 8.915 8.915 8.563 0.352 RESID 131 (E): N 119.000 119.000 116.719 2.281 RESID 131 (E): C 177.900 177.900 177.099 0.801 RESID 131 (E): CA 57.940 57.940 56.703 1.237 RESID 131 (E): CB 29.350 29.350 30.764 -1.414 RESID 131 (E): H 7.907 7.907 7.494 0.413 RESID 132 (H): N 112.600 112.600 118.640 -6.040 RESID 132 (H): C 175.900 175.900 175.552 0.348 RESID 132 (H): CA 56.910 56.910 58.801 -1.891 RESID 132 (H): CB 30.510 30.510 29.803 0.707 RESID 132 (H): H 7.877 7.877 7.881 -0.004 RESID 133 (W): N 119.300 119.300 117.450 1.850 RESID 133 (W): C 176.800 176.800 176.209 0.591 RESID 133 (W): CA 55.570 55.570 56.553 -0.983 RESID 133 (W): CB 30.400 30.400 29.733 0.667 RESID 133 (W): H 7.653 7.653 7.504 0.149 RESID 134 (A): N 125.400 125.400 124.639 0.761 RESID 134 (A): C 177.700 177.700 177.227 0.473 RESID 134 (A): CA 55.410 55.410 54.654 0.756 RESID 134 (A): CB 15.990 15.990 16.794 -0.804 RESID 134 (A): H 8.711 8.711 7.534 1.177 RESID 135 (P): C 177.200 177.200 177.396 -0.196 RESID 135 (P): CA 64.510 64.510 64.198 0.312 RESID 135 (P): CB 30.800 30.800 30.989 -0.189 RESID 136 (K): N 115.800 115.800 116.211 -0.411 RESID 136 (K): C 176.500 176.500 177.632 -1.132 RESID 136 (K): CA 53.530 53.530 55.949 -2.419 RESID 136 (K): CB 31.430 31.430 32.074 -0.644 RESID 136 (K): H 7.665 7.665 8.126 -0.461 RESID 137 (G): N 106.100 106.100 108.334 -2.234 RESID 137 (G): C 174.300 174.300 173.532 0.768 RESID 137 (G): CA 45.740 45.740 45.371 0.369 RESID 137 (G): H 7.864 7.864 7.664 0.200 RESID 138 (I): N 124.400 124.400 119.386 5.014 RESID 138 (I): C 174.400 174.400 174.780 -0.380 RESID 138 (I): CA 60.460 60.460 60.118 0.342 RESID 138 (I): CB 38.080 38.080 39.818 -1.738 RESID 138 (I): H 6.889 6.889 7.481 -0.592 RESID 139 (E): N 128.400 128.400 127.247 1.153 RESID 139 (E): C 173.900 173.900 175.099 -1.199 RESID 139 (E): CA 56.050 56.050 55.608 0.443 RESID 139 (E): CB 29.490 29.490 31.219 -1.729 RESID 139 (E): H 8.230 8.230 8.339 -0.109 RESID 140 (I): N 129.500 129.500 121.640 7.860 RESID 140 (I): C 176.100 176.100 174.750 1.350 RESID 140 (I): CA 57.100 57.100 59.035 -1.935 RESID 140 (I): CB 34.440 34.440 40.597 -6.157 RESID 140 (I): H 8.642 8.642 8.354 0.288 RESID 141 (V): N 133.000 133.000 125.236 7.764 RESID 141 (V): C 174.400 174.400 174.511 -0.111 RESID 141 (V): CA 61.060 61.060 61.148 -0.088 RESID 141 (V): CB 32.410 32.410 36.200 -3.790 RESID 141 (V): H 9.387 9.387 8.989 0.398 RESID 142 (S): N 122.900 122.900 120.113 2.787 RESID 142 (S): C 175.000 175.000 173.534 1.466 RESID 142 (S): CA 57.710 57.710 57.323 0.387 RESID 142 (S): CB 63.710 63.710 63.730 -0.021 RESID 142 (S): H 8.490 8.490 8.392 0.098 RESID 143 (Y): N 123.400 123.400 126.101 -2.701 RESID 143 (Y): C 175.900 175.900 176.382 -0.482 RESID 143 (Y): CA 57.300 57.300 57.721 -0.421 RESID 143 (Y): CB 42.300 42.300 41.319 0.981 RESID 143 (Y): H 8.979 8.979 9.283 -0.304 RESID 144 (Q): N 119.500 119.500 120.096 -0.596 RESID 144 (Q): C 176.000 176.000 174.914 1.086 RESID 144 (Q): CA 56.490 56.490 55.909 0.581 RESID 144 (Q): CB 28.470 28.470 29.869 -1.399 RESID 144 (Q): H 8.974 8.974 8.743 0.231 RESID 145 (G): N 106.800 106.800 107.333 -0.533 RESID 145 (G): C 173.500 173.500 174.159 -0.659 RESID 145 (G): CA 44.300 44.300 44.312 -0.012 RESID 145 (G): H 7.531 7.531 7.863 -0.332 RESID 146 (Q): N 124.300 124.300 122.920 1.380 RESID 146 (Q): C 177.200 177.200 177.352 -0.152 RESID 146 (Q): CA 57.800 57.800 58.824 -1.024 RESID 146 (Q): CB 28.190 28.190 28.639 -0.449 RESID 146 (Q): H 8.949 8.949 8.866 0.083 RESID 147 (D): N 117.900 117.900 118.411 -0.511 RESID 147 (D): C 178.900 178.900 178.471 0.429 RESID 147 (D): CA 56.650 56.650 56.842 -0.192 RESID 147 (D): CB 38.890 38.890 39.744 -0.854 RESID 147 (D): H 8.746 8.746 8.783 -0.037 RESID 148 (N): N 117.500 117.500 117.836 -0.336 RESID 148 (N): C 176.700 176.700 177.362 -0.662 RESID 148 (N): CA 55.160 55.160 55.629 -0.469 RESID 148 (N): CB 38.700 38.700 38.108 0.592 RESID 148 (N): H 7.496 7.496 8.562 -1.066 RESID 149 (I): N 120.000 120.000 119.881 0.119 RESID 149 (I): C 177.400 177.400 177.524 -0.124 RESID 149 (I): CA 64.450 64.450 65.025 -0.575 RESID 149 (I): CB 35.900 35.900 37.569 -1.669 RESID 149 (I): H 6.793 6.793 7.168 -0.375 RESID 150 (Y): N 117.400 117.400 118.176 -0.776 RESID 150 (Y): C 178.800 178.800 178.059 0.741 RESID 150 (Y): CA 59.730 59.730 61.623 -1.893 RESID 150 (Y): CB 35.970 35.970 37.654 -1.684 RESID 150 (Y): H 6.897 6.897 7.381 -0.484 RESID 151 (S): N 117.000 117.000 114.937 2.063 RESID 151 (S): C 177.000 177.000 177.034 -0.034 RESID 151 (S): CA 61.300 61.300 61.691 -0.391 RESID 151 (S): CB 62.100 62.100 62.229 -0.129 RESID 151 (S): H 8.186 8.186 8.272 -0.086 RESID 152 (D): N 122.300 122.300 123.177 -0.877 RESID 152 (D): C 179.000 179.000 178.315 0.685 RESID 152 (D): CA 56.580 56.580 56.837 -0.257 RESID 152 (D): CB 38.240 38.240 40.394 -2.154 RESID 152 (D): H 7.541 7.541 7.706 -0.165 RESID 153 (L): N 124.100 124.100 121.224 2.876 RESID 153 (L): C 180.300 180.300 178.501 1.799 RESID 153 (L): CA 58.160 58.160 57.542 0.618 RESID 153 (L): CB 41.630 41.630 41.823 -0.193 RESID 153 (L): H 8.372 8.372 7.840 0.532 RESID 154 (T): N 111.900 111.900 113.211 -1.311 RESID 154 (T): C 176.700 176.700 175.388 1.312 RESID 154 (T): CA 63.920 63.920 65.473 -1.553 RESID 154 (T): CB 68.700 68.700 68.970 -0.270 RESID 154 (T): H 8.389 8.389 8.288 0.101 RESID 155 (A): N 121.800 121.800 120.198 1.602 RESID 155 (A): C 178.200 178.200 178.071 0.129 RESID 155 (A): CA 51.640 51.640 52.342 -0.702 RESID 155 (A): CB 18.990 18.990 19.441 -0.451 RESID 155 (A): H 7.444 7.444 7.087 0.357 RESID 156 (G): N 107.800 107.800 107.151 0.649 RESID 156 (G): C 175.100 175.100 175.357 -0.257 RESID 156 (G): CA 45.420 45.420 45.184 0.236 RESID 156 (G): H 7.921 7.921 7.976 -0.055 RESID 157 (R): N 119.000 119.000 119.184 -0.184 RESID 157 (R): C 176.600 176.600 175.730 0.870 RESID 157 (R): CA 57.260 57.260 57.578 -0.318 RESID 157 (R): CB 30.400 30.400 30.763 -0.363 RESID 157 (R): H 8.443 8.443 8.089 0.354 RESID 158 (I): N 108.900 108.900 112.994 -4.094 RESID 158 (I): C 173.700 173.700 174.309 -0.609 RESID 158 (I): CA 59.900 59.900 59.224 0.676 RESID 158 (I): CB 40.070 40.070 40.993 -0.923 RESID 158 (I): H 7.109 7.109 7.131 -0.022 RESID 159 (D): N 119.100 119.100 123.937 -4.837 RESID 159 (D): C 174.700 174.700 175.651 -0.951 RESID 159 (D): CA 55.900 55.900 56.331 -0.431 RESID 159 (D): CB 43.630 43.630 41.691 1.939 RESID 159 (D): H 8.737 8.737 8.484 0.253 RESID 160 (A): N 116.400 116.400 116.440 -0.040 RESID 160 (A): C 174.900 174.900 174.326 0.574 RESID 160 (A): CA 50.190 50.190 51.487 -1.297 RESID 160 (A): CB 23.030 23.030 21.360 1.670 RESID 160 (A): H 7.702 7.702 7.168 0.534 RESID 161 (A): N 123.400 123.400 121.779 1.621 RESID 161 (A): C 175.500 175.500 175.655 -0.155 RESID 161 (A): CA 49.730 49.730 50.321 -0.591 RESID 161 (A): CB 21.110 21.110 21.583 -0.473 RESID 161 (A): H 8.915 8.915 7.989 0.926 RESID 162 (F): N 125.100 125.100 122.668 2.432 RESID 162 (F): C 172.900 172.900 175.027 -2.127 RESID 162 (F): CA 54.500 54.500 58.223 -3.723 RESID 162 (F): CB 39.400 39.400 38.815 0.585 RESID 162 (F): H 8.971 8.971 8.499 0.472 RESID 163 (Q): N 124.600 124.600 123.404 1.196 RESID 163 (Q): C 173.400 173.400 173.712 -0.312 RESID 163 (Q): CA 53.550 53.550 53.647 -0.097 RESID 163 (Q): CB 34.390 34.390 33.138 1.252 RESID 163 (Q): H 7.904 7.904 8.312 -0.408 RESID 164 (D): N 122.300 122.300 121.232 1.068 RESID 164 (D): C 175.800 175.800 177.279 -1.479 RESID 164 (D): CA 55.540 55.540 54.495 1.046 RESID 164 (D): CB 42.370 42.370 42.077 0.293 RESID 164 (D): H 8.304 8.304 8.457 -0.153 RESID 165 (E): N 128.600 128.600 122.746 5.854 RESID 165 (E): C 177.700 177.700 178.154 -0.454 RESID 165 (E): CA 60.230 60.230 60.152 0.078 RESID 165 (E): CB 30.020 30.020 29.858 0.162 RESID 165 (E): H 8.605 8.605 8.787 -0.182 RESID 166 (V): N 120.100 120.100 118.915 1.185 RESID 166 (V): C 178.300 178.300 177.329 0.971 RESID 166 (V): CA 66.800 66.800 66.737 0.063 RESID 166 (V): CB 30.070 30.070 30.328 -0.258 RESID 166 (V): H 8.748 8.748 8.252 0.496 RESID 167 (A): N 123.200 123.200 120.049 3.151 RESID 167 (A): C 182.500 182.500 179.101 3.399 RESID 167 (A): CA 54.980 54.980 54.739 0.241 RESID 167 (A): CB 17.910 17.910 18.058 -0.148 RESID 167 (A): H 8.655 8.655 7.973 0.682 RESID 168 (A): N 121.300 121.300 122.164 -0.864 RESID 168 (A): C 179.800 179.800 179.736 0.064 RESID 168 (A): CA 54.180 54.180 54.541 -0.361 RESID 168 (A): CB 18.750 18.750 18.443 0.307 RESID 168 (A): H 8.349 8.349 7.913 0.436 RESID 169 (S): N 113.400 113.400 114.430 -1.030 RESID 169 (S): C 175.700 175.700 176.160 -0.460 RESID 169 (S): CA 61.050 61.050 62.555 -1.505 RESID 169 (S): CB 63.050 63.050 62.646 0.404 RESID 169 (S): H 8.058 8.058 8.169 -0.111 RESID 170 (E): N 115.600 115.600 120.220 -4.620 RESID 170 (E): C 178.800 178.800 177.294 1.506 RESID 170 (E): CA 57.610 57.610 58.043 -0.433 RESID 170 (E): CB 29.790 29.790 29.042 0.748 RESID 170 (E): H 8.824 8.824 7.844 0.980 RESID 171 (G): N 103.400 103.400 104.771 -1.371 RESID 171 (G): C 173.700 173.700 174.971 -1.271 RESID 171 (G): CA 44.970 44.970 45.248 -0.278 RESID 171 (G): H 8.154 8.154 7.327 0.827 RESID 172 (F): N 120.100 120.100 122.526 -2.426 RESID 172 (F): C 175.200 175.200 177.702 -2.502 RESID 172 (F): CA 60.690 60.690 61.140 -0.450 RESID 172 (F): CB 40.740 40.740 39.084 1.656 RESID 172 (F): H 7.297 7.297 8.346 -1.049 RESID 173 (L): N 117.800 117.800 117.832 -0.032 RESID 173 (L): C 179.000 179.000 178.302 0.698 RESID 173 (L): CA 57.670 57.670 56.883 0.786 RESID 173 (L): CB 40.020 40.020 41.832 -1.812 RESID 173 (L): H 8.470 8.470 7.519 0.951 RESID 174 (K): N 114.600 114.600 116.398 -1.798 RESID 174 (K): C 176.900 176.900 176.412 0.488 RESID 174 (K): CA 56.450 56.450 57.280 -0.830 RESID 174 (K): CB 31.770 31.770 32.651 -0.881 RESID 174 (K): H 8.018 8.018 7.581 0.437 RESID 175 (Q): N 118.800 118.800 116.948 1.852 RESID 175 (Q): C 176.000 176.000 173.997 2.003 RESID 175 (Q): CA 52.510 52.510 52.256 0.254 RESID 175 (Q): CB 26.740 26.740 29.817 -3.077 RESID 175 (Q): H 7.151 7.151 7.285 -0.134 RESID 176 (P): C 179.300 179.300 177.707 1.593 RESID 176 (P): CA 66.100 66.100 65.403 0.697 RESID 176 (P): CB 30.720 30.720 31.703 -0.983 RESID 177 (V): N 112.300 112.300 117.252 -4.952 RESID 177 (V): C 175.900 175.900 177.750 -1.850 RESID 177 (V): CA 62.860 62.860 65.841 -2.981 RESID 177 (V): CB 30.660 30.660 30.999 -0.339 RESID 177 (V): H 7.480 7.480 7.740 -0.260 RESID 178 (G): N 109.700 109.700 105.488 4.212 RESID 178 (G): C 175.000 175.000 174.888 0.112 RESID 178 (G): CA 44.080 44.080 46.077 -1.997 RESID 178 (G): H 7.173 7.173 7.643 -0.470 RESID 179 (K): N 120.900 120.900 119.095 1.805 RESID 179 (K): C 177.100 177.100 177.677 -0.577 RESID 179 (K): CA 58.360 58.360 58.447 -0.087 RESID 179 (K): CB 31.260 31.260 32.294 -1.034 RESID 179 (K): H 6.972 6.972 7.261 -0.289 RESID 180 (D): N 117.200 117.200 117.177 0.023 RESID 180 (D): C 173.900 173.900 175.819 -1.919 RESID 180 (D): CA 53.920 53.920 55.847 -1.927 RESID 180 (D): CB 39.690 39.690 41.325 -1.635 RESID 180 (D): H 8.036 8.036 7.455 0.581 RESID 181 (Y): N 120.500 120.500 114.935 5.565 RESID 181 (Y): C 172.300 172.300 173.454 -1.154 RESID 181 (Y): CA 57.890 57.890 57.723 0.167 RESID 181 (Y): CB 41.860 41.860 42.307 -0.447 RESID 181 (Y): H 7.768 7.768 7.395 0.373 RESID 182 (K): N 116.900 116.900 118.591 -1.691 RESID 182 (K): C 174.900 174.900 174.262 0.638 RESID 182 (K): CA 54.330 54.330 56.466 -2.136 RESID 182 (K): CB 35.610 35.610 33.347 2.263 RESID 182 (K): H 9.497 9.497 8.832 0.664 RESID 183 (F): N 117.900 117.900 122.181 -4.281 RESID 183 (F): C 177.800 177.800 174.922 2.878 RESID 183 (F): CA 56.780 56.780 58.106 -1.326 RESID 183 (F): CB 38.320 38.320 42.860 -4.540 RESID 183 (F): H 8.470 8.470 7.837 0.633 RESID 184 (G): N 113.700 113.700 109.441 4.259 RESID 184 (G): C 173.300 173.300 174.716 -1.416 RESID 184 (G): CA 46.900 46.900 45.006 1.894 RESID 184 (G): H 9.107 9.107 8.830 0.277 RESID 185 (G): N 111.000 111.000 110.254 0.746 RESID 185 (G): C 171.100 171.100 172.915 -1.815 RESID 185 (G): CA 44.530 44.530 45.577 -1.047 RESID 185 (G): H 7.702 7.702 8.469 -0.767 RESID 186 (P): C 175.500 175.500 176.202 -0.702 RESID 186 (P): CA 61.920 61.920 64.466 -2.546 RESID 186 (P): CB 32.640 32.640 31.852 0.788 RESID 187 (S): N 113.500 113.500 120.274 -6.774 RESID 187 (S): C 173.500 173.500 173.783 -0.283 RESID 187 (S): CA 57.930 57.930 57.517 0.414 RESID 187 (S): CB 63.260 63.260 65.614 -2.354 RESID 187 (S): H 8.452 8.452 8.327 0.125 RESID 188 (V): N 123.300 123.300 121.659 1.641 RESID 188 (V): C 173.900 173.900 173.629 0.271 RESID 188 (V): CA 61.800 61.800 62.358 -0.558 RESID 188 (V): CB 32.680 32.680 34.687 -2.007 RESID 188 (V): H 9.080 9.080 7.840 1.240 RESID 189 (K): N 125.200 125.200 122.414 2.786 RESID 189 (K): C 176.700 176.700 174.082 2.618 RESID 189 (K): CA 54.680 54.680 56.187 -1.507 RESID 189 (K): CB 33.780 33.780 34.726 -0.946 RESID 189 (K): H 8.123 8.123 8.141 -0.018 RESID 190 (D): N 120.300 120.300 122.086 -1.786 RESID 190 (D): C 175.300 175.300 176.889 -1.589 RESID 190 (D): CA 55.610 55.610 53.410 2.200 RESID 190 (D): CB 42.620 42.620 40.390 2.230 RESID 190 (D): H 8.823 8.823 8.296 0.527 RESID 191 (E): N 129.100 129.100 126.631 2.469 RESID 191 (E): C 177.300 177.300 177.552 -0.252 RESID 191 (E): CA 59.310 59.310 58.484 0.826 RESID 191 (E): CB 28.420 28.420 29.518 -1.098 RESID 191 (E): H 9.239 9.239 8.842 0.397 RESID 192 (K): N 118.000 118.000 119.272 -1.272 RESID 192 (K): C 178.200 178.200 178.113 0.087 RESID 192 (K): CA 58.140 58.140 58.926 -0.786 RESID 192 (K): CB 31.690 31.690 32.146 -0.456 RESID 192 (K): H 7.918 7.918 8.758 -0.840 RESID 193 (L): N 118.200 118.200 118.088 0.112 RESID 193 (L): C 177.700 177.700 177.590 0.110 RESID 193 (L): CA 55.790 55.790 56.936 -1.146 RESID 193 (L): CB 42.330 42.330 42.054 0.276 RESID 193 (L): H 8.362 8.362 7.132 1.230 RESID 194 (F): N 116.800 116.800 113.422 3.378 RESID 194 (F): C 178.200 178.200 175.834 2.366 RESID 194 (F): CA 54.620 54.620 57.394 -2.774 RESID 194 (F): CB 37.390 37.390 39.775 -2.385 RESID 194 (F): H 8.036 8.036 7.305 0.731 RESID 195 (G): N 106.900 106.900 108.843 -1.943 RESID 195 (G): C 174.200 174.200 173.891 0.309 RESID 195 (G): CA 44.120 44.120 45.003 -0.883 RESID 195 (G): H 7.510 7.510 7.681 -0.171 RESID 196 (V): N 112.400 112.400 123.538 -11.138 RESID 196 (V): C 175.300 175.300 175.998 -0.698 RESID 196 (V): CA 60.720 60.720 64.267 -3.547 RESID 196 (V): CB 30.630 30.630 32.175 -1.544 RESID 196 (V): H 8.064 8.064 8.297 -0.233 RESID 197 (G): N 108.100 108.100 105.287 2.813 RESID 197 (G): C 172.300 172.300 172.005 0.295 RESID 197 (G): CA 43.210 43.210 45.242 -2.032 RESID 197 (G): H 7.788 7.788 7.235 0.553 RESID 198 (T): N 109.200 109.200 113.739 -4.539 RESID 198 (T): C 172.800 172.800 173.229 -0.429 RESID 198 (T): CA 59.090 59.090 59.365 -0.275 RESID 198 (T): CB 71.080 71.080 71.289 -0.209 RESID 198 (T): H 7.796 7.796 7.948 -0.152 RESID 199 (G): N 103.900 103.900 108.602 -4.702 RESID 199 (G): C 171.800 171.800 172.586 -0.786 RESID 199 (G): CA 43.840 43.840 45.337 -1.497 RESID 199 (G): H 7.928 7.928 7.842 0.086 RESID 200 (M): N 121.400 121.400 119.859 1.541 RESID 200 (M): C 176.200 176.200 175.971 0.229 RESID 200 (M): CA 55.260 55.260 55.246 0.014 RESID 200 (M): CB 33.390 33.390 35.007 -1.617 RESID 200 (M): H 7.971 7.971 8.496 -0.525 RESID 201 (G): N 112.200 112.200 110.700 1.500 RESID 201 (G): C 172.000 172.000 172.791 -0.791 RESID 201 (G): CA 44.540 44.540 44.419 0.121 RESID 201 (G): H 8.818 8.818 8.323 0.495 RESID 202 (L): N 124.700 124.700 124.787 -0.087 RESID 202 (L): C 176.000 176.000 175.871 0.129 RESID 202 (L): CA 53.740 53.740 52.828 0.913 RESID 202 (L): CB 46.010 46.010 46.132 -0.122 RESID 202 (L): H 8.767 8.767 8.610 0.157 RESID 203 (R): N 121.600 121.600 120.179 1.421 RESID 203 (R): C 180.400 180.400 177.905 2.495 RESID 203 (R): CA 57.130 57.130 55.477 1.653 RESID 203 (R): CB 29.650 29.650 31.313 -1.663 RESID 203 (R): H 10.270 10.270 8.259 2.011 RESID 204 (K): N 123.200 123.200 124.651 -1.451 RESID 204 (K): C 178.200 178.200 177.543 0.657 RESID 204 (K): CA 59.570 59.570 59.726 -0.156 RESID 204 (K): CB 31.840 31.840 32.070 -0.230 RESID 204 (K): H 9.231 9.231 8.661 0.570 RESID 205 (E): N 113.800 113.800 117.205 -3.405 RESID 205 (E): C 177.700 177.700 177.929 -0.229 RESID 205 (E): CA 57.230 57.230 58.277 -1.047 RESID 205 (E): CB 27.770 27.770 28.920 -1.150 RESID 205 (E): H 9.026 9.026 8.222 0.804 RESID 206 (D): N 126.000 126.000 120.774 5.226 RESID 206 (D): C 177.300 177.300 176.517 0.783 RESID 206 (D): CA 53.710 53.710 53.671 0.039 RESID 206 (D): CB 37.530 37.530 38.700 -1.170 RESID 206 (D): H 7.253 7.253 8.036 -0.783 RESID 207 (N): N 120.100 120.100 120.443 -0.343 RESID 207 (N): C 176.900 176.900 177.014 -0.114 RESID 207 (N): CA 56.950 56.950 56.428 0.521 RESID 207 (N): CB 38.820 38.820 38.895 -0.075 RESID 207 (N): H 7.839 7.839 8.733 -0.894 RESID 208 (E): N 120.500 120.500 118.558 1.942 RESID 208 (E): C 179.900 179.900 178.375 1.525 RESID 208 (E): CA 59.870 59.870 58.937 0.933 RESID 208 (E): CB 27.630 27.630 29.405 -1.775 RESID 208 (E): H 8.776 8.776 8.401 0.375 RESID 209 (L): N 122.900 122.900 120.508 2.392 RESID 209 (L): C 177.100 177.100 178.232 -1.132 RESID 209 (L): CA 57.400 57.400 57.378 0.022 RESID 209 (L): CB 40.660 40.660 41.816 -1.156 RESID 209 (L): H 8.366 8.366 7.788 0.578 RESID 210 (R): N 119.100 119.100 118.790 0.310 RESID 210 (R): C 177.400 177.400 178.191 -0.791 RESID 210 (R): CA 59.970 59.970 59.767 0.203 RESID 210 (R): CB 30.110 30.110 30.024 0.086 RESID 210 (R): H 7.582 7.582 8.349 -0.767 RESID 211 (E): N 116.200 116.200 119.221 -3.021 RESID 211 (E): C 179.800 179.800 178.535 1.265 RESID 211 (E): CA 59.150 59.150 59.261 -0.111 RESID 211 (E): CB 28.600 28.600 29.581 -0.981 RESID 211 (E): H 8.407 8.407 7.887 0.520 RESID 212 (A): N 123.500 123.500 122.681 0.819 RESID 212 (A): C 181.300 181.300 179.636 1.664 RESID 212 (A): CA 54.810 54.810 54.707 0.103 RESID 212 (A): CB 17.170 17.170 18.145 -0.975 RESID 212 (A): H 8.128 8.128 7.581 0.547 RESID 213 (L): N 121.200 121.200 119.707 1.493 RESID 213 (L): C 178.400 178.400 179.646 -1.246 RESID 213 (L): CA 57.710 57.710 58.151 -0.441 RESID 213 (L): CB 41.450 41.450 41.122 0.328 RESID 213 (L): H 8.364 8.364 8.071 0.293 RESID 214 (N): N 119.200 119.200 116.371 2.829 RESID 214 (N): C 179.700 179.700 177.841 1.859 RESID 214 (N): CA 55.260 55.260 55.870 -0.610 RESID 214 (N): CB 37.120 37.120 37.936 -0.816 RESID 214 (N): H 8.435 8.435 8.386 0.049 RESID 215 (K): N 123.800 123.800 121.352 2.448 RESID 215 (K): C 178.400 178.400 178.517 -0.117 RESID 215 (K): CA 59.090 59.090 59.389 -0.298 RESID 215 (K): CB 31.740 31.740 32.483 -0.743 RESID 215 (K): H 8.080 8.080 8.433 -0.353 RESID 216 (A): N 122.200 122.200 121.763 0.437 RESID 216 (A): C 179.500 179.500 179.519 -0.019 RESID 216 (A): CA 54.140 54.140 54.877 -0.737 RESID 216 (A): CB 18.700 18.700 18.276 0.423 RESID 216 (A): H 7.935 7.935 8.315 -0.380 RESID 217 (F): N 119.500 119.500 120.133 -0.633 RESID 217 (F): C 177.200 177.200 176.979 0.221 RESID 217 (F): CA 61.390 61.390 60.214 1.176 RESID 217 (F): CB 38.000 38.000 39.050 -1.050 RESID 217 (F): H 8.916 8.916 8.307 0.609 RESID 218 (A): N 121.300 121.300 121.201 0.099 RESID 218 (A): C 182.100 182.100 179.661 2.439 RESID 218 (A): CA 54.810 54.810 55.214 -0.404 RESID 218 (A): CB 16.650 16.650 17.984 -1.334 RESID 218 (A): H 7.956 7.956 8.159 -0.203 RESID 219 (E): N 120.000 120.000 119.052 0.948 RESID 219 (E): C 178.600 178.600 179.016 -0.416 RESID 219 (E): CA 59.040 59.040 59.341 -0.301 RESID 219 (E): CB 28.320 28.320 29.483 -1.163 RESID 219 (E): H 7.952 7.952 7.846 0.106 RESID 220 (M): N 120.900 120.900 118.217 2.683 RESID 220 (M): C 179.000 179.000 178.655 0.345 RESID 220 (M): CA 57.430 57.430 59.416 -1.986 RESID 220 (M): CB 32.620 32.620 32.506 0.114 RESID 220 (M): H 8.190 8.190 8.152 0.038 RESID 221 (R): N 119.200 119.200 118.388 0.812 RESID 221 (R): C 179.300 179.300 178.983 0.317 RESID 221 (R): CA 58.710 58.710 59.109 -0.399 RESID 221 (R): CB 27.480 27.480 29.877 -2.397 RESID 221 (R): H 7.762 7.762 7.495 0.267 RESID 222 (A): N 122.500 122.500 121.997 0.503 RESID 222 (A): C 179.300 179.300 178.955 0.345 RESID 222 (A): CA 54.180 54.180 54.577 -0.397 RESID 222 (A): CB 18.030 18.030 18.612 -0.582 RESID 222 (A): H 7.838 7.838 7.789 0.049 RESID 223 (D): N 115.100 115.100 114.726 0.374 RESID 223 (D): C 177.900 177.900 177.237 0.663 RESID 223 (D): CA 53.020 53.020 53.168 -0.148 RESID 223 (D): CB 39.570 39.570 40.269 -0.699 RESID 223 (D): H 8.091 8.091 8.049 0.042 RESID 224 (G): N 106.700 106.700 108.352 -1.652 RESID 224 (G): C 176.000 176.000 176.050 -0.050 RESID 224 (G): CA 45.070 45.070 46.332 -1.262 RESID 224 (G): H 7.199 7.199 7.478 -0.279 RESID 225 (T): N 122.400 122.400 117.124 5.276 RESID 225 (T): C 175.700 175.700 175.288 0.412 RESID 225 (T): CA 67.610 67.610 68.059 -0.449 RESID 225 (T): CB 66.840 66.840 68.787 -1.947 RESID 225 (T): H 9.095 9.095 9.318 -0.223 RESID 226 (Y): N 121.500 121.500 121.717 -0.217 RESID 226 (Y): C 176.000 176.000 176.908 -0.908 RESID 226 (Y): CA 62.530 62.530 62.326 0.204 RESID 226 (Y): CB 38.410 38.410 38.332 0.078 RESID 226 (Y): H 8.040 8.040 7.648 0.392 RESID 227 (E): N 118.200 118.200 118.675 -0.475 RESID 227 (E): C 178.200 178.200 178.686 -0.486 RESID 227 (E): CA 58.940 58.940 59.467 -0.527 RESID 227 (E): CB 28.810 28.810 29.121 -0.311 RESID 227 (E): H 8.153 8.153 8.596 -0.443 RESID 228 (K): N 119.100 119.100 120.395 -1.295 RESID 228 (K): C 179.500 179.500 179.059 0.441 RESID 228 (K): CA 59.260 59.260 59.495 -0.235 RESID 228 (K): CB 31.520 31.520 32.416 -0.896 RESID 228 (K): H 7.558 7.558 8.376 -0.818 RESID 229 (L): N 119.100 119.100 119.367 -0.267 RESID 229 (L): C 179.300 179.300 178.799 0.501 RESID 229 (L): CA 56.970 56.970 57.696 -0.726 RESID 229 (L): CB 41.520 41.520 41.870 -0.350 RESID 229 (L): H 8.055 8.055 8.071 -0.016 RESID 230 (A): N 121.200 121.200 122.169 -0.969 RESID 230 (A): C 180.500 180.500 179.247 1.253 RESID 230 (A): CA 54.890 54.890 55.531 -0.641 RESID 230 (A): CB 17.570 17.570 17.723 -0.153 RESID 230 (A): H 8.901 8.901 8.312 0.589 RESID 231 (K): N 117.200 117.200 118.371 -1.171 RESID 231 (K): C 177.700 177.700 178.452 -0.752 RESID 231 (K): CA 57.370 57.370 58.911 -1.541 RESID 231 (K): CB 31.330 31.330 32.311 -0.981 RESID 231 (K): H 8.062 8.062 8.117 -0.055 RESID 232 (K): N 117.600 117.600 117.132 0.468 RESID 232 (K): C 176.800 176.800 179.152 -2.352 RESID 232 (K): CA 57.890 57.890 58.695 -0.805 RESID 232 (K): CB 31.150 31.150 32.638 -1.488 RESID 232 (K): H 7.053 7.053 7.422 -0.369 RESID 233 (Y): N 114.000 114.000 117.020 -3.020 RESID 233 (Y): C 175.100 175.100 175.755 -0.655 RESID 233 (Y): CA 58.110 58.110 61.175 -3.065 RESID 233 (Y): CB 39.360 39.360 38.832 0.528 RESID 233 (Y): H 7.013 7.013 7.914 -0.901 RESID 234 (F): N 116.400 116.400 113.526 2.874 RESID 234 (F): C 175.800 175.800 173.436 2.364 RESID 234 (F): CA 54.920 54.920 56.651 -1.731 RESID 234 (F): CB 41.260 41.260 42.779 -1.520 RESID 234 (F): H 8.038 8.038 8.166 -0.129 RESID 235 (D): N 123.000 123.000 120.812 2.188 RESID 235 (D): C 174.500 174.500 174.991 -0.491 RESID 235 (D): CA 52.680 52.680 53.297 -0.617 RESID 235 (D): CB 39.860 39.860 39.498 0.362 RESID 235 (D): H 8.879 8.879 8.616 0.263 RESID 236 (F): N 115.500 115.500 122.145 -6.645 RESID 236 (F): C 173.600 173.600 173.612 -0.012 RESID 236 (F): CA 53.950 53.950 56.215 -2.265 RESID 236 (F): CB 39.860 39.860 39.839 0.021 RESID 236 (F): H 6.793 6.793 7.463 -0.670 RESID 237 (D): N 119.700 119.700 121.844 -2.144 RESID 237 (D): C 175.800 175.800 177.122 -1.322 RESID 237 (D): CA 52.980 52.980 52.658 0.322 RESID 237 (D): CB 39.210 39.210 41.920 -2.710 RESID 237 (D): H 8.831 8.831 8.615 0.216 RESID 238 (V): N 129.900 129.900 122.518 7.382 RESID 238 (V): C 175.200 175.200 176.676 -1.476 RESID 238 (V): CA 61.840 61.840 65.088 -3.248 RESID 238 (V): CB 32.500 32.500 31.904 0.597 RESID 238 (V): H 7.376 7.376 8.333 -0.957 RESID 239 (Y): N 123.500 123.500 119.174 4.326 RESID 239 (Y): C 176.500 176.500 178.517 -2.017 RESID 239 (Y): CA 61.920 61.920 61.127 0.793 RESID 239 (Y): CB 38.010 38.010 37.754 0.256 RESID 239 (Y): H 8.314 8.314 7.805 0.509 RESID 240 (G): N 104.100 104.100 104.369 -0.269 RESID 240 (G): C 174.600 174.600 174.909 -0.309 RESID 240 (G): CA 45.930 45.930 45.328 0.602 RESID 240 (G): H 7.428 7.428 8.423 -0.995 N HA C CA CB H RESID 6 (P): ----- ----- -0.708 -0.621 -0.727 ----- RESID 7 (Q): -0.380 ----- -0.399 -0.663 -0.641 -0.300 RESID 8 (N): 1.847 ----- -0.291 -0.668 -1.277 -0.332 RESID 9 (I): -2.440 ----- -0.175 -0.719 0.123 -0.728 RESID 10 (R): -1.282 ----- 0.749 -1.788 -0.245 0.389 RESID 11 (I): 3.286 ----- 0.339 0.098 -3.983 0.276 RESID 12 (G): 0.465 ----- -1.272 0.259 ----- 0.779 RESID 13 (T): -1.104 ----- 8.643 -0.444 -1.625 0.605 RESID 14 (D): -1.033 ----- 2.744 -0.755 -1.950 -0.507 RESID 15 (P): ----- ----- -1.128 -1.637 -4.401 ----- RESID 16 (T): 4.964 ----- 0.115 -2.584 -1.395 0.488 RESID 17 (Y): 3.971 ----- -0.468 -1.932 0.229 0.859 RESID 18 (A): 2.437 ----- -0.462 -4.568 -0.166 0.026 RESID 19 (P): ----- ----- -4.295 -2.354 0.203 ----- RESID 20 (F): 7.777 ----- 1.597 2.696 -3.060 -0.122 RESID 21 (E): -2.700 ----- -0.835 -0.835 -5.367 -0.792 RESID 22 (S): 4.057 ----- -0.780 -1.270 -1.217 0.436 RESID 23 (K): -1.849 ----- 2.610 -1.670 -1.815 0.007 RESID 24 (N): 1.625 ----- 1.055 -1.284 -1.882 0.068 RESID 25 (S): ----- ----- -0.024 0.010 -0.188 ----- RESID 26 (Q): -0.188 ----- -0.570 -0.397 -0.452 -0.361 RESID 27 (G): 1.237 ----- -0.275 0.062 ----- 0.363 RESID 28 (E): 1.656 ----- 0.260 -1.310 -0.982 -0.290 RESID 29 (L): 2.439 ----- 0.496 0.429 -1.804 0.009 RESID 30 (V): -4.137 ----- 1.650 -1.777 -0.118 1.035 RESID 31 (G): -0.044 ----- 0.870 -1.334 ----- 1.176 RESID 32 (F): -2.996 ----- 1.737 -0.195 -0.369 0.019 RESID 33 (D): -2.574 ----- 1.069 -0.352 -1.604 1.733 RESID 34 (I): -0.842 ----- 0.292 -3.796 -4.187 -1.197 RESID 35 (D): 0.652 ----- 1.580 -0.340 0.068 0.756 RESID 36 (L): -0.452 ----- 0.515 -0.068 0.656 1.291 RESID 37 (A): -1.645 ----- -0.910 -0.165 -1.065 0.748 RESID 38 (K): -2.867 ----- 0.936 0.508 -0.497 0.678 RESID 39 (E): 2.168 ----- -1.093 -0.899 -1.526 -0.096 RESID 40 (L): 1.108 ----- -0.137 0.224 -1.502 0.622 RESID 41 (C): -2.832 ----- -1.674 -0.401 21.410 -0.171 RESID 42 (K): -0.273 ----- 1.626 -0.648 -0.926 -0.589 RESID 43 (R): 1.387 ----- 0.025 0.288 -0.223 0.507 RESID 44 (I): -5.729 ----- -0.818 -2.167 -1.540 -0.701 RESID 45 (N): 3.076 ----- -0.341 -0.947 0.702 -0.267 RESID 46 (T): 7.136 ----- 0.309 -0.312 -1.305 -0.036 RESID 47 (Q): 3.579 ----- 0.822 -0.509 -1.935 -0.262 RESID 48 (C): -0.368 ----- -0.665 -4.644 17.841 0.207 RESID 49 (T): -2.018 ----- 0.149 -1.037 -0.075 -0.502 RESID 50 (F): -2.185 ----- -0.122 -0.043 0.490 0.337 RESID 51 (V): 2.440 ----- -0.044 -0.028 -1.628 0.208 RESID 52 (E): -2.160 ----- 1.666 -2.805 -1.022 -0.156 RESID 53 (N): 6.919 ----- -1.799 -0.196 5.309 0.660 RESID 54 (P): ----- ----- -0.045 -0.724 -1.766 ----- RESID 55 (L): 0.025 ----- 0.881 -1.105 0.010 0.410 RESID 56 (D): -3.612 ----- -0.827 -0.775 -0.543 0.121 RESID 57 (A): 0.464 ----- 1.037 -2.173 -0.472 -0.265 RESID 58 (L): 1.115 ----- -0.956 0.855 -1.758 -0.300 RESID 59 (I): 0.120 ----- 1.249 1.649 -0.709 1.386 RESID 60 (P): ----- ----- 0.874 -0.597 -1.280 ----- RESID 61 (S): -0.127 ----- -1.208 0.390 ----- -0.347 RESID 62 (L): 3.182 ----- 1.944 -0.351 0.010 0.187 RESID 63 (K): 1.857 ----- -0.246 0.235 -1.696 0.745 RESID 64 (A): 0.195 ----- -0.456 -0.241 -0.313 -0.204 RESID 65 (K): -1.801 ----- -0.454 -0.166 -2.155 0.056 RESID 66 (K): 2.879 ----- -0.552 -1.266 -0.841 0.585 RESID 67 (I): -5.146 ----- -1.412 -0.015 -0.534 -0.227 RESID 68 (D): -3.451 ----- -3.748 0.256 1.699 1.256 RESID 69 (A): -0.903 ----- 1.084 -1.046 -0.196 -0.114 RESID 70 (I): -0.392 ----- -0.011 -0.569 0.277 1.273 RESID 71 (M): -0.985 ----- -1.229 -2.013 -0.250 0.213 RESID 72 (S): 2.608 ----- -1.931 1.053 -0.559 0.146 RESID 73 (S): 4.975 ----- 0.076 -1.038 0.138 -0.085 RESID 74 (L): -3.645 ----- -0.554 -1.395 -0.516 1.344 RESID 75 (S): 2.204 ----- 0.829 2.034 -1.597 0.281 RESID 76 (I): 9.398 ----- 0.869 1.810 -3.833 0.023 RESID 77 (T): 3.071 ----- -0.289 -2.192 -0.744 -1.010 RESID 78 (E): -0.413 ----- 1.609 -1.734 -0.632 0.011 RESID 79 (K): 0.045 ----- 1.533 -0.309 -0.689 0.049 RESID 80 (R): -0.335 ----- 0.141 0.351 0.282 0.269 RESID 81 (Q): -0.728 ----- -2.369 -1.485 0.300 0.121 RESID 82 (Q): -2.397 ----- -0.408 -1.073 -0.558 -0.655 RESID 83 (E): -2.098 ----- -0.907 -1.388 1.885 -0.298 RESID 84 (I): 3.228 ----- -1.323 0.460 -0.673 0.275 RESID 85 (A): 0.227 ----- -0.209 -1.080 0.760 0.219 RESID 86 (F): -3.395 ----- 2.935 -0.918 0.270 -0.328 RESID 87 (T): -6.567 ----- 0.884 0.910 2.600 -0.423 RESID 88 (D): -2.196 ----- -1.421 -0.808 1.029 -0.043 RESID 89 (K): 1.364 ----- -0.646 -1.661 0.343 -0.057 RESID 90 (L): -2.534 ----- 0.148 -2.706 -1.335 0.198 RESID 91 (Y): 0.417 ----- -1.050 0.371 -2.881 -0.447 RESID 92 (A): 0.632 ----- -1.073 0.926 0.747 -0.933 RESID 93 (A): -0.773 ----- -0.926 0.413 -0.062 0.441 RESID 94 (D): 1.287 ----- -0.832 -1.251 -0.215 0.749 RESID 95 (S): -1.859 ----- -1.480 0.461 -0.114 -1.038 RESID 96 (R): 4.516 ----- -0.148 1.541 -0.297 0.373 RESID 97 (L): -0.975 ----- 1.680 0.304 -1.760 1.261 RESID 98 (V): 0.806 ----- 0.703 0.876 0.394 1.468 RESID 99 (V): -5.391 ----- 0.708 -0.261 1.199 0.970 RESID 100 (A): 0.773 ----- 0.755 2.030 -1.874 0.660 RESID 101 (K): -4.027 ----- -0.237 0.381 -0.502 -1.073 RESID 102 (N): -1.165 ----- 0.251 -2.320 -1.618 -0.258 RESID 103 (S): 0.120 ----- 2.710 0.693 0.407 0.106 RESID 104 (D): -0.799 ----- 1.519 -1.021 -0.551 0.002 RESID 105 (I): -2.105 ----- -0.852 3.034 -2.982 -0.362 RESID 106 (Q): -0.525 ----- 0.818 -0.731 1.288 -0.306 RESID 107 (P): ----- ----- -0.497 -1.768 -4.110 ----- RESID 108 (T): -3.046 ----- -0.387 -3.945 -0.968 0.834 RESID 109 (V): -1.473 ----- 0.369 0.861 -2.185 0.289 RESID 110 (E): -3.933 ----- -0.274 -0.873 -0.877 0.024 RESID 111 (S): -0.251 ----- 0.576 -1.621 1.215 -1.058 RESID 112 (L): -4.291 ----- 0.001 -0.789 0.088 0.348 RESID 113 (K): 1.802 ----- 0.688 0.615 -1.415 -0.306 RESID 114 (G): 1.014 ----- -0.591 -0.138 ----- 0.096 RESID 115 (K): -1.065 ----- -1.315 -1.001 -1.305 0.665 RESID 116 (R): -1.528 ----- 0.320 -1.022 0.623 0.978 RESID 117 (V): 2.995 ----- 0.588 -0.101 -2.343 0.643 RESID 118 (G): 0.631 ----- -0.287 1.451 ----- 1.341 RESID 119 (V): -5.996 ----- 0.068 -2.178 -0.619 -0.141 RESID 120 (L): 0.230 ----- 1.233 -0.288 -1.410 0.135 RESID 121 (Q): 0.808 ----- -0.339 -0.419 -1.616 0.300 RESID 122 (G): 0.066 ----- 1.538 -0.237 ----- 0.653 RESID 123 (T): -1.719 ----- 2.390 0.245 2.898 -0.522 RESID 124 (T): 1.327 ----- 1.573 -0.726 -0.967 0.273 RESID 125 (Q): -1.801 ----- 0.202 1.917 -2.737 -0.754 RESID 126 (E): 2.129 ----- -1.296 -0.210 -0.909 -0.094 RESID 127 (T): 1.598 ----- -0.175 -0.493 -1.139 0.558 RESID 128 (F): -0.075 ----- 0.466 0.872 -0.115 0.275 RESID 129 (G): -0.127 ----- -0.388 -0.529 ----- -0.271 RESID 130 (N): 4.540 ----- 0.358 0.052 -0.627 0.352 RESID 131 (E): 2.281 ----- 0.801 1.237 -1.414 0.413 RESID 132 (H): -6.040 ----- 0.348 -1.891 0.707 -0.004 RESID 133 (W): 1.850 ----- 0.591 -0.983 0.667 0.149 RESID 134 (A): 0.761 ----- 0.473 0.756 -0.804 1.177 RESID 135 (P): ----- ----- -0.196 0.312 -0.189 ----- RESID 136 (K): -0.411 ----- -1.132 -2.419 -0.644 -0.461 RESID 137 (G): -2.234 ----- 0.768 0.369 ----- 0.200 RESID 138 (I): 5.014 ----- -0.380 0.342 -1.738 -0.592 RESID 139 (E): 1.153 ----- -1.199 0.443 -1.729 -0.109 RESID 140 (I): 7.860 ----- 1.350 -1.935 -6.157 0.288 RESID 141 (V): 7.764 ----- -0.111 -0.088 -3.790 0.398 RESID 142 (S): 2.787 ----- 1.466 0.387 -0.021 0.098 RESID 143 (Y): -2.701 ----- -0.482 -0.421 0.981 -0.304 RESID 144 (Q): -0.596 ----- 1.086 0.581 -1.399 0.231 RESID 145 (G): -0.533 ----- -0.659 -0.012 ----- -0.332 RESID 146 (Q): 1.380 ----- -0.152 -1.024 -0.449 0.083 RESID 147 (D): -0.511 ----- 0.429 -0.192 -0.854 -0.037 RESID 148 (N): -0.336 ----- -0.662 -0.469 0.592 -1.066 RESID 149 (I): 0.119 ----- -0.124 -0.575 -1.669 -0.375 RESID 150 (Y): -0.776 ----- 0.741 -1.893 -1.684 -0.484 RESID 151 (S): 2.063 ----- -0.034 -0.391 -0.129 -0.086 RESID 152 (D): -0.877 ----- 0.685 -0.257 -2.154 -0.165 RESID 153 (L): 2.876 ----- 1.799 0.618 -0.193 0.532 RESID 154 (T): -1.311 ----- 1.312 -1.553 -0.270 0.101 RESID 155 (A): 1.602 ----- 0.129 -0.702 -0.451 0.357 RESID 156 (G): 0.649 ----- -0.257 0.236 ----- -0.055 RESID 157 (R): -0.184 ----- 0.870 -0.318 -0.363 0.354 RESID 158 (I): -4.094 ----- -0.609 0.676 -0.923 -0.022 RESID 159 (D): -4.837 ----- -0.951 -0.431 1.939 0.253 RESID 160 (A): -0.040 ----- 0.574 -1.297 1.670 0.534 RESID 161 (A): 1.621 ----- -0.155 -0.591 -0.473 0.926 RESID 162 (F): 2.432 ----- -2.127 -3.723 0.585 0.472 RESID 163 (Q): 1.196 ----- -0.312 -0.097 1.252 -0.408 RESID 164 (D): 1.068 ----- -1.479 1.046 0.293 -0.153 RESID 165 (E): 5.854 ----- -0.454 0.078 0.162 -0.182 RESID 166 (V): 1.185 ----- 0.971 0.063 -0.258 0.496 RESID 167 (A): 3.151 ----- 3.399 0.241 -0.148 0.682 RESID 168 (A): -0.864 ----- 0.064 -0.361 0.307 0.436 RESID 169 (S): -1.030 ----- -0.460 -1.505 0.404 -0.111 RESID 170 (E): -4.620 ----- 1.506 -0.433 0.748 0.980 RESID 171 (G): -1.371 ----- -1.271 -0.278 ----- 0.827 RESID 172 (F): -2.426 ----- -2.502 -0.450 1.656 -1.049 RESID 173 (L): -0.032 ----- 0.698 0.786 -1.812 0.951 RESID 174 (K): -1.798 ----- 0.488 -0.830 -0.881 0.437 RESID 175 (Q): 1.852 ----- 2.003 0.254 -3.077 -0.134 RESID 176 (P): ----- ----- 1.593 0.697 -0.983 ----- RESID 177 (V): -4.952 ----- -1.850 -2.981 -0.339 -0.260 RESID 178 (G): 4.212 ----- 0.112 -1.997 ----- -0.470 RESID 179 (K): 1.805 ----- -0.577 -0.087 -1.034 -0.289 RESID 180 (D): 0.023 ----- -1.919 -1.927 -1.635 0.581 RESID 181 (Y): 5.565 ----- -1.154 0.167 -0.447 0.373 RESID 182 (K): -1.691 ----- 0.638 -2.136 2.263 0.664 RESID 183 (F): -4.281 ----- 2.878 -1.326 -4.540 0.633 RESID 184 (G): 4.259 ----- -1.416 1.894 ----- 0.277 RESID 185 (G): 0.746 ----- -1.815 -1.047 ----- -0.767 RESID 186 (P): ----- ----- -0.702 -2.546 0.788 ----- RESID 187 (S): -6.774 ----- -0.283 0.414 -2.354 0.125 RESID 188 (V): 1.641 ----- 0.271 -0.558 -2.007 1.240 RESID 189 (K): 2.786 ----- 2.618 -1.507 -0.946 -0.018 RESID 190 (D): -1.786 ----- -1.589 2.200 2.230 0.527 RESID 191 (E): 2.469 ----- -0.252 0.826 -1.098 0.397 RESID 192 (K): -1.272 ----- 0.087 -0.786 -0.456 -0.840 RESID 193 (L): 0.112 ----- 0.110 -1.146 0.276 1.230 RESID 194 (F): 3.378 ----- 2.366 -2.774 -2.385 0.731 RESID 195 (G): -1.943 ----- 0.309 -0.883 ----- -0.171 RESID 196 (V): -11.138 ----- -0.698 -3.547 -1.544 -0.233 RESID 197 (G): 2.813 ----- 0.295 -2.032 ----- 0.553 RESID 198 (T): -4.539 ----- -0.429 -0.275 -0.209 -0.152 RESID 199 (G): -4.702 ----- -0.786 -1.497 ----- 0.086 RESID 200 (M): 1.541 ----- 0.229 0.014 -1.617 -0.525 RESID 201 (G): 1.500 ----- -0.791 0.121 ----- 0.495 RESID 202 (L): -0.087 ----- 0.129 0.913 -0.122 0.157 RESID 203 (R): 1.421 ----- 2.495 1.653 -1.663 2.011 RESID 204 (K): -1.451 ----- 0.657 -0.156 -0.230 0.570 RESID 205 (E): -3.405 ----- -0.229 -1.047 -1.150 0.804 RESID 206 (D): 5.226 ----- 0.783 0.039 -1.170 -0.783 RESID 207 (N): -0.343 ----- -0.114 0.521 -0.075 -0.894 RESID 208 (E): 1.942 ----- 1.525 0.933 -1.775 0.375 RESID 209 (L): 2.392 ----- -1.132 0.022 -1.156 0.578 RESID 210 (R): 0.310 ----- -0.791 0.203 0.086 -0.767 RESID 211 (E): -3.021 ----- 1.265 -0.111 -0.981 0.520 RESID 212 (A): 0.819 ----- 1.664 0.103 -0.975 0.547 RESID 213 (L): 1.493 ----- -1.246 -0.441 0.328 0.293 RESID 214 (N): 2.829 ----- 1.859 -0.610 -0.816 0.049 RESID 215 (K): 2.448 ----- -0.117 -0.298 -0.743 -0.353 RESID 216 (A): 0.437 ----- -0.019 -0.737 0.423 -0.380 RESID 217 (F): -0.633 ----- 0.221 1.176 -1.050 0.609 RESID 218 (A): 0.099 ----- 2.439 -0.404 -1.334 -0.203 RESID 219 (E): 0.948 ----- -0.416 -0.301 -1.163 0.106 RESID 220 (M): 2.683 ----- 0.345 -1.986 0.114 0.038 RESID 221 (R): 0.812 ----- 0.317 -0.399 -2.397 0.267 RESID 222 (A): 0.503 ----- 0.345 -0.397 -0.582 0.049 RESID 223 (D): 0.374 ----- 0.663 -0.148 -0.699 0.042 RESID 224 (G): -1.652 ----- -0.050 -1.262 ----- -0.279 RESID 225 (T): 5.276 ----- 0.412 -0.449 -1.947 -0.223 RESID 226 (Y): -0.217 ----- -0.908 0.204 0.078 0.392 RESID 227 (E): -0.475 ----- -0.486 -0.527 -0.311 -0.443 RESID 228 (K): -1.295 ----- 0.441 -0.235 -0.896 -0.818 RESID 229 (L): -0.267 ----- 0.501 -0.726 -0.350 -0.016 RESID 230 (A): -0.969 ----- 1.253 -0.641 -0.153 0.589 RESID 231 (K): -1.171 ----- -0.752 -1.541 -0.981 -0.055 RESID 232 (K): 0.468 ----- -2.352 -0.805 -1.488 -0.369 RESID 233 (Y): -3.020 ----- -0.655 -3.065 0.528 -0.901 RESID 234 (F): 2.874 ----- 2.364 -1.731 -1.520 -0.129 RESID 235 (D): 2.188 ----- -0.491 -0.617 0.362 0.263 RESID 236 (F): -6.645 ----- -0.012 -2.265 0.021 -0.670 RESID 237 (D): -2.144 ----- -1.322 0.322 -2.710 0.216 RESID 238 (V): 7.382 ----- -1.476 -3.248 0.597 -0.957 RESID 239 (Y): 4.326 ----- -2.017 0.793 0.256 0.509 RESID 240 (G): -0.269 ----- -0.309 0.602 ----- -0.995 DATA CS_STAT_INFO N RMS: 2.941 ppm Count: 226 Average Difference: -0.133 +/- 2.944 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.294 ppm Count: 236 Average Difference: -0.100 +/- 1.293 ppm DATA CS_STAT_INFO CA RMS: 1.327 ppm Count: 236 Average Difference: 0.531 +/- 1.219 ppm DATA CS_STAT_INFO CB RMS: 2.452 ppm Count: 215 Average Difference: 0.516 +/- 2.403 ppm DATA CS_STAT_INFO HN RMS: 0.590 ppm Count: 226 Average Difference: -0.118 +/- 0.579 ppm ############################################################################ For conformer 28: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.358 -0.058 RESID 5 (I): C 174.300 174.300 174.345 -0.045 RESID 5 (I): CA 57.710 57.710 59.845 -2.135 RESID 5 (I): CB 37.260 37.260 37.790 -0.530 RESID 5 (I): H 7.868 7.868 8.218 -0.350 RESID 6 (P): C 176.100 176.100 176.822 -0.722 RESID 6 (P): CA 62.180 62.180 62.801 -0.621 RESID 6 (P): CB 31.620 31.620 32.349 -0.729 RESID 7 (Q): N 119.200 119.200 118.695 0.505 RESID 7 (Q): C 175.600 175.600 176.049 -0.449 RESID 7 (Q): CA 57.190 57.190 58.084 -0.894 RESID 7 (Q): CB 28.500 28.500 28.994 -0.494 RESID 7 (Q): H 8.380 8.380 8.721 -0.341 RESID 8 (N): N 116.300 116.300 114.508 1.792 RESID 8 (N): C 173.600 173.600 174.096 -0.496 RESID 8 (N): CA 51.720 51.720 52.277 -0.557 RESID 8 (N): CB 40.540 40.540 41.570 -1.030 RESID 8 (N): H 7.472 7.472 7.803 -0.331 RESID 9 (I): N 121.000 121.000 122.536 -1.536 RESID 9 (I): C 174.700 174.700 174.949 -0.249 RESID 9 (I): CA 59.480 59.480 60.008 -0.528 RESID 9 (I): CB 39.740 39.740 40.435 -0.695 RESID 9 (I): H 8.416 8.416 9.123 -0.707 RESID 10 (R): N 126.500 126.500 126.951 -0.451 RESID 10 (R): C 175.800 175.800 175.451 0.349 RESID 10 (R): CA 53.950 53.950 55.373 -1.423 RESID 10 (R): CB 30.670 30.670 31.329 -0.659 RESID 10 (R): H 9.098 9.098 8.811 0.287 RESID 11 (I): N 127.500 127.500 124.831 2.669 RESID 11 (I): C 175.600 175.600 175.098 0.502 RESID 11 (I): CA 59.480 59.480 59.353 0.126 RESID 11 (I): CB 37.460 37.460 41.761 -4.301 RESID 11 (I): H 9.279 9.279 9.084 0.195 RESID 12 (G): N 114.800 114.800 113.881 0.919 RESID 12 (G): C 171.700 171.700 172.980 -1.280 RESID 12 (G): CA 44.540 44.540 44.295 0.245 RESID 12 (G): H 9.382 9.382 8.496 0.886 RESID 13 (T): N 120.600 120.600 121.922 -1.322 RESID 13 (T): C 181.600 181.600 173.225 8.375 RESID 13 (T): CA 61.470 61.470 61.781 -0.311 RESID 13 (T): CB 69.970 69.970 71.802 -1.832 RESID 13 (T): H 8.594 8.594 7.893 0.701 RESID 14 (D): N 127.000 127.000 127.565 -0.565 RESID 14 (D): C 177.500 177.500 174.544 2.956 RESID 14 (D): CA 49.760 49.760 50.112 -0.352 RESID 14 (D): CB 40.580 40.580 41.987 -1.407 RESID 14 (D): H 8.200 8.200 8.602 -0.402 RESID 15 (P): C 175.400 175.400 176.472 -1.072 RESID 15 (P): CA 61.920 61.920 63.282 -1.362 RESID 15 (P): CB 27.890 27.890 32.420 -4.530 RESID 16 (T): N 116.200 116.200 110.875 5.325 RESID 16 (T): C 174.000 174.000 173.437 0.563 RESID 16 (T): CA 59.560 59.560 62.096 -2.536 RESID 16 (T): CB 68.650 68.650 69.746 -1.095 RESID 16 (T): H 8.739 8.739 8.286 0.453 RESID 17 (Y): N 125.800 125.800 121.939 3.861 RESID 17 (Y): C 175.200 175.200 175.595 -0.395 RESID 17 (Y): CA 54.180 54.180 56.169 -1.989 RESID 17 (Y): CB 38.700 38.700 38.545 0.155 RESID 17 (Y): H 8.943 8.943 8.079 0.864 RESID 18 (A): N 132.100 132.100 129.664 2.436 RESID 18 (A): C 176.000 176.000 176.492 -0.492 RESID 18 (A): CA 51.490 51.490 56.087 -4.597 RESID 18 (A): CB 16.070 16.070 16.300 -0.230 RESID 18 (A): H 8.945 8.945 8.931 0.014 RESID 19 (P): C 173.500 173.500 177.686 -4.186 RESID 19 (P): CA 62.890 62.890 65.285 -2.395 RESID 19 (P): CB 31.790 31.790 31.654 0.136 RESID 20 (F): N 125.100 125.100 118.208 6.892 RESID 20 (F): C 176.700 176.700 175.161 1.539 RESID 20 (F): CA 62.420 62.420 59.753 2.667 RESID 20 (F): CB 37.980 37.980 41.257 -3.277 RESID 20 (F): H 8.117 8.117 8.335 -0.218 RESID 21 (E): N 111.800 111.800 114.382 -2.582 RESID 21 (E): C 173.600 173.600 174.508 -0.908 RESID 21 (E): CA 54.400 54.400 55.378 -0.978 RESID 21 (E): CB 28.770 28.770 34.229 -5.459 RESID 21 (E): H 7.701 7.701 8.626 -0.925 RESID 22 (S): N 117.200 117.200 112.968 4.232 RESID 22 (S): C 171.500 171.500 172.305 -0.805 RESID 22 (S): CA 57.290 57.290 58.589 -1.298 RESID 22 (S): CB 62.940 62.940 64.062 -1.122 RESID 22 (S): H 8.750 8.750 8.316 0.434 RESID 23 (K): N 117.400 117.400 119.449 -2.049 RESID 23 (K): C 177.600 177.600 175.044 2.556 RESID 23 (K): CA 53.700 53.700 55.329 -1.629 RESID 23 (K): CB 33.330 33.330 35.041 -1.710 RESID 23 (K): H 8.238 8.238 8.254 -0.016 RESID 24 (N): N 122.400 122.400 121.157 1.243 RESID 24 (N): C 178.000 178.000 177.078 0.922 RESID 24 (N): CA 50.600 50.600 52.139 -1.539 RESID 24 (N): CB 38.140 38.140 40.028 -1.888 RESID 24 (N): H 8.584 8.584 8.814 -0.230 RESID 25 (S): C 175.400 175.400 175.357 0.043 RESID 25 (S): CA 60.970 60.970 60.980 -0.010 RESID 25 (S): CB 62.410 62.410 62.541 -0.131 RESID 26 (Q): N 119.300 119.300 119.492 -0.192 RESID 26 (Q): C 176.200 176.200 176.757 -0.557 RESID 26 (Q): CA 55.180 55.180 55.527 -0.347 RESID 26 (Q): CB 28.260 28.260 28.703 -0.443 RESID 26 (Q): H 7.520 7.520 7.838 -0.318 RESID 27 (G): N 108.800 108.800 107.625 1.175 RESID 27 (G): C 173.700 173.700 174.005 -0.305 RESID 27 (G): CA 45.050 45.050 44.994 0.056 RESID 27 (G): H 8.169 8.169 7.813 0.356 RESID 28 (E): N 121.200 121.200 119.600 1.600 RESID 28 (E): C 175.800 175.800 175.531 0.269 RESID 28 (E): CA 54.490 54.490 55.821 -1.331 RESID 28 (E): CB 29.750 29.750 30.733 -0.983 RESID 28 (E): H 7.836 7.836 8.140 -0.304 RESID 29 (L): N 123.500 123.500 121.228 2.272 RESID 29 (L): C 176.400 176.400 175.274 1.126 RESID 29 (L): CA 54.310 54.310 53.906 0.405 RESID 29 (L): CB 41.180 41.180 43.575 -2.396 RESID 29 (L): H 8.281 8.281 8.288 -0.007 RESID 30 (V): N 118.200 118.200 121.951 -3.751 RESID 30 (V): C 175.300 175.300 173.500 1.800 RESID 30 (V): CA 58.360 58.360 60.068 -1.708 RESID 30 (V): CB 36.080 36.080 35.948 0.132 RESID 30 (V): H 8.900 8.900 7.651 1.249 RESID 31 (G): N 109.800 109.800 110.214 -0.414 RESID 31 (G): C 174.400 174.400 173.426 0.974 RESID 31 (G): CA 43.830 43.830 45.349 -1.519 RESID 31 (G): H 8.611 8.611 7.686 0.925 RESID 32 (F): N 119.900 119.900 122.531 -2.631 RESID 32 (F): C 177.900 177.900 176.000 1.900 RESID 32 (F): CA 59.800 59.800 60.837 -1.037 RESID 32 (F): CB 38.950 38.950 39.417 -0.467 RESID 32 (F): H 8.295 8.295 8.447 -0.152 RESID 33 (D): N 116.500 116.500 119.198 -2.698 RESID 33 (D): C 179.100 179.100 178.058 1.042 RESID 33 (D): CA 56.180 56.180 56.780 -0.600 RESID 33 (D): CB 38.610 38.610 40.424 -1.814 RESID 33 (D): H 8.935 8.935 7.432 1.503 RESID 34 (I): N 118.800 118.800 119.634 -0.834 RESID 34 (I): C 178.000 178.000 177.741 0.259 RESID 34 (I): CA 60.950 60.950 64.784 -3.834 RESID 34 (I): CB 33.620 33.620 37.805 -4.185 RESID 34 (I): H 6.535 6.535 7.805 -1.270 RESID 35 (D): N 121.000 121.000 119.589 1.411 RESID 35 (D): C 180.300 180.300 178.372 1.928 RESID 35 (D): CA 57.100 57.100 57.440 -0.340 RESID 35 (D): CB 40.420 40.420 40.303 0.117 RESID 35 (D): H 8.536 8.536 7.910 0.626 RESID 36 (L): N 120.500 120.500 120.880 -0.380 RESID 36 (L): C 178.500 178.500 177.965 0.535 RESID 36 (L): CA 57.720 57.720 57.745 -0.025 RESID 36 (L): CB 42.230 42.230 41.566 0.664 RESID 36 (L): H 8.508 8.508 7.196 1.312 RESID 37 (A): N 120.200 120.200 121.787 -1.587 RESID 37 (A): C 178.600 178.600 179.527 -0.927 RESID 37 (A): CA 55.170 55.170 55.291 -0.121 RESID 37 (A): CB 17.340 17.340 18.451 -1.111 RESID 37 (A): H 8.383 8.383 7.663 0.720 RESID 38 (K): N 116.400 116.400 119.246 -2.846 RESID 38 (K): C 180.100 180.100 179.135 0.965 RESID 38 (K): CA 60.530 60.530 60.113 0.417 RESID 38 (K): CB 31.840 31.840 32.329 -0.489 RESID 38 (K): H 8.780 8.780 8.130 0.650 RESID 39 (E): N 121.500 121.500 119.323 2.177 RESID 39 (E): C 178.300 178.300 179.369 -1.069 RESID 39 (E): CA 58.430 58.430 59.291 -0.861 RESID 39 (E): CB 27.990 27.990 29.483 -1.494 RESID 39 (E): H 7.692 7.692 7.732 -0.040 RESID 40 (L): N 121.500 121.500 120.485 1.015 RESID 40 (L): C 178.700 178.700 178.820 -0.120 RESID 40 (L): CA 58.490 58.490 58.292 0.198 RESID 40 (L): CB 40.250 40.250 41.774 -1.524 RESID 40 (L): H 8.563 8.563 7.840 0.723 RESID 41 (C): N 115.700 115.700 118.392 -2.692 RESID 41 (C): C 175.800 175.800 177.473 -1.673 RESID 41 (C): CA 62.390 62.390 62.741 -0.351 RESID 41 (C): CB 46.860 46.860 25.447 21.413 RESID 41 (C): H 8.598 8.598 8.733 -0.135 RESID 42 (K): N 119.300 119.300 119.667 -0.367 RESID 42 (K): C 180.800 180.800 179.111 1.689 RESID 42 (K): CA 58.810 58.810 59.441 -0.631 RESID 42 (K): CB 31.430 31.430 32.357 -0.927 RESID 42 (K): H 7.490 7.490 8.069 -0.579 RESID 43 (R): N 119.500 119.500 117.947 1.553 RESID 43 (R): C 178.700 178.700 178.665 0.035 RESID 43 (R): CA 58.760 58.760 58.450 0.310 RESID 43 (R): CB 29.980 29.980 30.219 -0.239 RESID 43 (R): H 8.057 8.057 7.629 0.428 RESID 44 (I): N 111.800 111.800 117.532 -5.732 RESID 44 (I): C 175.000 175.000 175.843 -0.843 RESID 44 (I): CA 60.940 60.940 63.089 -2.149 RESID 44 (I): CB 36.630 36.630 38.216 -1.586 RESID 44 (I): H 7.765 7.765 8.412 -0.647 RESID 45 (N): N 118.800 118.800 115.693 3.107 RESID 45 (N): C 173.600 173.600 173.932 -0.332 RESID 45 (N): CA 53.670 53.670 54.621 -0.951 RESID 45 (N): CB 36.620 36.620 35.920 0.700 RESID 45 (N): H 7.752 7.752 8.085 -0.333 RESID 46 (T): N 112.800 112.800 105.735 7.065 RESID 46 (T): C 173.100 173.100 172.840 0.260 RESID 46 (T): CA 60.020 60.020 60.264 -0.244 RESID 46 (T): CB 70.500 70.500 71.873 -1.373 RESID 46 (T): H 7.920 7.920 7.932 -0.012 RESID 47 (Q): N 123.500 123.500 120.004 3.496 RESID 47 (Q): C 175.400 175.400 174.585 0.815 RESID 47 (Q): CA 54.550 54.550 55.118 -0.568 RESID 47 (Q): CB 28.670 28.670 30.476 -1.806 RESID 47 (Q): H 8.037 8.037 8.357 -0.320 RESID 48 (C): N 123.800 123.800 124.353 -0.553 RESID 48 (C): C 173.800 173.800 174.383 -0.583 RESID 48 (C): CA 53.170 53.170 57.919 -4.749 RESID 48 (C): CB 47.290 47.290 29.391 17.899 RESID 48 (C): H 8.881 8.881 8.676 0.205 RESID 49 (T): N 118.600 118.600 120.512 -1.912 RESID 49 (T): C 172.700 172.700 172.559 0.141 RESID 49 (T): CA 60.210 60.210 61.266 -1.056 RESID 49 (T): CB 70.980 70.980 71.025 -0.045 RESID 49 (T): H 8.324 8.324 8.757 -0.433 RESID 50 (F): N 123.800 123.800 125.957 -2.157 RESID 50 (F): C 175.800 175.800 175.923 -0.123 RESID 50 (F): CA 57.370 57.370 57.367 0.002 RESID 50 (F): CB 40.730 40.730 40.309 0.421 RESID 50 (F): H 8.982 8.982 8.631 0.351 RESID 51 (V): N 126.300 126.300 123.604 2.696 RESID 51 (V): C 174.700 174.700 174.701 -0.001 RESID 51 (V): CA 60.650 60.650 60.681 -0.031 RESID 51 (V): CB 33.700 33.700 35.439 -1.739 RESID 51 (V): H 9.271 9.271 9.003 0.268 RESID 52 (E): N 126.900 126.900 129.047 -2.147 RESID 52 (E): C 176.900 176.900 175.109 1.791 RESID 52 (E): CA 54.480 54.480 57.535 -3.055 RESID 52 (E): CB 29.350 29.350 30.365 -1.015 RESID 52 (E): H 8.617 8.617 8.788 -0.171 RESID 53 (N): N 127.100 127.100 119.665 7.435 RESID 53 (N): C 170.600 170.600 172.687 -2.087 RESID 53 (N): CA 51.220 51.220 51.087 0.133 RESID 53 (N): CB 43.980 43.980 38.694 5.285 RESID 53 (N): H 8.917 8.917 8.190 0.727 RESID 54 (P): C 178.600 178.600 178.779 -0.179 RESID 54 (P): CA 61.650 61.650 62.333 -0.683 RESID 54 (P): CB 31.460 31.460 32.926 -1.466 RESID 55 (L): N 124.200 124.200 124.390 -0.190 RESID 55 (L): C 179.600 179.600 178.711 0.889 RESID 55 (L): CA 58.130 58.130 59.186 -1.056 RESID 55 (L): CB 41.470 41.470 41.417 0.053 RESID 55 (L): H 9.096 9.096 8.801 0.295 RESID 56 (D): N 115.400 115.400 119.014 -3.614 RESID 56 (D): C 176.500 176.500 177.328 -0.828 RESID 56 (D): CA 56.080 56.080 56.844 -0.764 RESID 56 (D): CB 39.640 39.640 40.190 -0.550 RESID 56 (D): H 8.651 8.651 8.520 0.131 RESID 57 (A): N 120.400 120.400 119.944 0.456 RESID 57 (A): C 180.000 180.000 178.955 1.045 RESID 57 (A): CA 51.440 51.440 53.621 -2.181 RESID 57 (A): CB 19.170 19.170 19.647 -0.477 RESID 57 (A): H 8.079 8.079 8.376 -0.297 RESID 58 (L): N 122.300 122.300 121.197 1.103 RESID 58 (L): C 177.800 177.800 178.753 -0.953 RESID 58 (L): CA 58.960 58.960 58.101 0.859 RESID 58 (L): CB 40.150 40.150 41.923 -1.773 RESID 58 (L): H 7.783 7.783 8.076 -0.293 RESID 59 (I): N 119.600 119.600 119.489 0.111 RESID 59 (I): C 176.400 176.400 175.148 1.252 RESID 59 (I): CA 68.170 68.170 66.535 1.635 RESID 59 (I): CB 33.980 33.980 34.697 -0.717 RESID 59 (I): H 9.094 9.094 7.713 1.381 RESID 60 (P): C 180.100 180.100 179.219 0.881 RESID 60 (P): CA 65.890 65.890 66.526 -0.636 RESID 60 (P): CB 29.980 29.980 31.252 -1.272 RESID 61 (S): N 114.800 114.800 114.906 -0.106 RESID 61 (S): C 175.500 175.500 176.695 -1.195 RESID 61 (S): CA 62.170 62.170 61.879 0.291 RESID 61 (S): H 7.865 7.865 8.269 -0.404 RESID 62 (L): N 126.200 126.200 123.021 3.179 RESID 62 (L): C 181.000 181.000 179.006 1.994 RESID 62 (L): CA 57.400 57.400 57.737 -0.337 RESID 62 (L): CB 41.820 41.820 41.790 0.030 RESID 62 (L): H 8.296 8.296 8.119 0.177 RESID 63 (K): N 121.000 121.000 119.103 1.897 RESID 63 (K): C 178.000 178.000 177.865 0.135 RESID 63 (K): CA 59.500 59.500 59.158 0.342 RESID 63 (K): CB 30.770 30.770 32.500 -1.730 RESID 63 (K): H 8.461 8.461 7.757 0.704 RESID 64 (A): N 118.700 118.700 118.683 0.017 RESID 64 (A): C 176.200 176.200 176.668 -0.468 RESID 64 (A): CA 51.680 51.680 52.009 -0.329 RESID 64 (A): CB 18.140 18.140 18.627 -0.487 RESID 64 (A): H 7.686 7.686 7.948 -0.262 RESID 65 (K): N 112.200 112.200 113.981 -1.781 RESID 65 (K): C 176.000 176.000 176.468 -0.468 RESID 65 (K): CA 57.800 57.800 57.976 -0.176 RESID 65 (K): CB 27.730 27.730 29.906 -2.176 RESID 65 (K): H 7.751 7.751 7.668 0.083 RESID 66 (K): N 118.300 118.300 115.418 2.882 RESID 66 (K): C 176.600 176.600 177.125 -0.525 RESID 66 (K): CA 57.200 57.200 58.434 -1.234 RESID 66 (K): CB 32.170 32.170 33.010 -0.840 RESID 66 (K): H 8.415 8.415 7.819 0.596 RESID 67 (I): N 107.500 107.500 112.432 -4.932 RESID 67 (I): C 174.000 174.000 175.397 -1.397 RESID 67 (I): CA 59.050 59.050 59.019 0.031 RESID 67 (I): CB 40.470 40.470 41.062 -0.592 RESID 67 (I): H 7.034 7.034 7.259 -0.225 RESID 68 (D): N 119.000 119.000 121.787 -2.787 RESID 68 (D): C 172.200 172.200 175.769 -3.569 RESID 68 (D): CA 55.560 55.560 55.432 0.128 RESID 68 (D): CB 44.210 44.210 42.579 1.631 RESID 68 (D): H 9.739 9.739 8.687 1.052 RESID 69 (A): N 117.400 117.400 117.907 -0.507 RESID 69 (A): C 175.900 175.900 174.853 1.047 RESID 69 (A): CA 50.120 50.120 51.193 -1.073 RESID 69 (A): CB 21.960 21.960 22.055 -0.095 RESID 69 (A): H 7.660 7.660 7.628 0.032 RESID 70 (I): N 120.500 120.500 120.510 -0.010 RESID 70 (I): C 174.500 174.500 174.442 0.058 RESID 70 (I): CA 60.060 60.060 60.651 -0.591 RESID 70 (I): CB 41.190 41.190 41.020 0.170 RESID 70 (I): H 9.402 9.402 8.038 1.364 RESID 71 (M): N 128.300 128.300 129.305 -1.005 RESID 71 (M): C 172.500 172.500 174.093 -1.593 RESID 71 (M): CA 53.040 53.040 54.946 -1.906 RESID 71 (M): CB 33.940 33.940 34.597 -0.657 RESID 71 (M): H 8.431 8.431 8.265 0.166 RESID 72 (S): N 122.700 122.700 120.941 1.759 RESID 72 (S): C 172.800 172.800 173.798 -0.998 RESID 72 (S): CA 57.630 57.630 56.792 0.838 RESID 72 (S): CB 64.590 64.590 64.974 -0.384 RESID 72 (S): H 8.717 8.717 8.582 0.135 RESID 73 (S): N 120.600 120.600 116.491 4.109 RESID 73 (S): C 174.900 174.900 175.032 -0.132 RESID 73 (S): CA 58.590 58.590 59.929 -1.339 RESID 73 (S): CB 62.920 62.920 63.114 -0.194 RESID 73 (S): H 8.570 8.570 8.662 -0.092 RESID 74 (L): N 120.700 120.700 123.611 -2.911 RESID 74 (L): C 175.300 175.300 175.820 -0.520 RESID 74 (L): CA 54.320 54.320 55.495 -1.175 RESID 74 (L): CB 42.350 42.350 42.679 -0.329 RESID 74 (L): H 8.678 8.678 7.724 0.954 RESID 75 (S): N 122.000 122.000 119.816 2.184 RESID 75 (S): C 174.500 174.500 173.676 0.824 RESID 75 (S): CA 59.250 59.250 57.071 2.179 RESID 75 (S): CB 63.060 63.060 64.807 -1.747 RESID 75 (S): H 8.142 8.142 7.881 0.261 RESID 76 (I): N 125.200 125.200 115.629 9.571 RESID 76 (I): C 175.500 175.500 174.580 0.920 RESID 76 (I): CA 61.340 61.340 59.559 1.781 RESID 76 (I): CB 35.790 35.790 39.685 -3.895 RESID 76 (I): H 8.307 8.307 8.332 -0.025 RESID 77 (T): N 116.600 116.600 113.553 3.047 RESID 77 (T): C 174.800 174.800 175.066 -0.266 RESID 77 (T): CA 57.760 57.760 59.994 -2.234 RESID 77 (T): CB 71.570 71.570 72.300 -0.730 RESID 77 (T): H 6.513 6.513 7.538 -1.025 RESID 78 (E): N 124.500 124.500 125.032 -0.532 RESID 78 (E): C 179.500 179.500 177.870 1.630 RESID 78 (E): CA 59.140 59.140 60.873 -1.733 RESID 78 (E): CB 28.630 28.630 29.270 -0.640 RESID 78 (E): H 8.935 8.935 8.895 0.040 RESID 79 (K): N 118.400 118.400 118.311 0.089 RESID 79 (K): C 180.600 180.600 179.028 1.572 RESID 79 (K): CA 58.890 58.890 59.193 -0.303 RESID 79 (K): CB 31.610 31.610 32.301 -0.691 RESID 79 (K): H 8.415 8.415 8.367 0.048 RESID 80 (R): N 118.500 118.500 118.827 -0.327 RESID 80 (R): C 179.100 179.100 178.957 0.143 RESID 80 (R): CA 59.580 59.580 59.202 0.378 RESID 80 (R): CB 30.380 30.380 30.077 0.303 RESID 80 (R): H 7.678 7.678 7.400 0.278 RESID 81 (Q): N 119.000 119.000 119.697 -0.697 RESID 81 (Q): C 176.600 176.600 179.009 -2.409 RESID 81 (Q): CA 57.510 57.510 59.005 -1.495 RESID 81 (Q): CB 28.880 28.880 28.553 0.327 RESID 81 (Q): H 8.418 8.418 8.301 0.117 RESID 82 (Q): N 115.300 115.300 117.887 -2.587 RESID 82 (Q): C 177.400 177.400 177.791 -0.391 RESID 82 (Q): CA 57.280 57.280 58.407 -1.127 RESID 82 (Q): CB 27.950 27.950 28.486 -0.536 RESID 82 (Q): H 7.297 7.297 7.964 -0.667 RESID 83 (E): N 115.600 115.600 117.688 -2.088 RESID 83 (E): C 176.400 176.400 177.288 -0.888 RESID 83 (E): CA 56.950 56.950 58.356 -1.406 RESID 83 (E): CB 33.090 33.090 31.219 1.871 RESID 83 (E): H 7.627 7.627 7.928 -0.301 RESID 84 (I): N 115.100 115.100 111.846 3.254 RESID 84 (I): C 172.600 172.600 173.936 -1.336 RESID 84 (I): CA 59.380 59.380 58.916 0.464 RESID 84 (I): CB 40.830 40.830 41.515 -0.685 RESID 84 (I): H 8.275 8.275 7.972 0.303 RESID 85 (A): N 120.600 120.600 120.374 0.226 RESID 85 (A): C 175.000 175.000 175.253 -0.253 RESID 85 (A): CA 49.150 49.150 50.253 -1.103 RESID 85 (A): CB 22.280 22.280 21.450 0.830 RESID 85 (A): H 8.679 8.679 8.450 0.229 RESID 86 (F): N 115.500 115.500 119.016 -3.516 RESID 86 (F): C 178.800 178.800 175.811 2.989 RESID 86 (F): CA 55.850 55.850 56.890 -1.040 RESID 86 (F): CB 44.300 44.300 44.057 0.242 RESID 86 (F): H 8.283 8.283 8.606 -0.323 RESID 87 (T): N 108.200 108.200 114.929 -6.729 RESID 87 (T): C 174.700 174.700 173.810 0.890 RESID 87 (T): CA 61.930 61.930 61.177 0.753 RESID 87 (T): CB 72.740 72.740 70.030 2.710 RESID 87 (T): H 7.898 7.898 8.356 -0.458 RESID 88 (D): N 118.400 118.400 120.480 -2.080 RESID 88 (D): C 174.300 174.300 175.619 -1.319 RESID 88 (D): CA 55.030 55.030 55.772 -0.742 RESID 88 (D): CB 40.870 40.870 39.808 1.062 RESID 88 (D): H 8.789 8.789 8.795 -0.006 RESID 89 (K): N 118.100 118.100 116.517 1.583 RESID 89 (K): C 176.200 176.200 176.593 -0.393 RESID 89 (K): CA 55.570 55.570 57.290 -1.720 RESID 89 (K): CB 31.850 31.850 31.517 0.333 RESID 89 (K): H 7.666 7.666 7.690 -0.024 RESID 90 (L): N 123.400 123.400 126.415 -3.015 RESID 90 (L): C 178.000 178.000 177.669 0.331 RESID 90 (L): CA 54.450 54.450 57.187 -2.737 RESID 90 (L): CB 41.710 41.710 43.350 -1.640 RESID 90 (L): H 8.778 8.778 8.735 0.043 RESID 91 (Y): N 110.500 110.500 109.893 0.607 RESID 91 (Y): C 172.600 172.600 173.748 -1.148 RESID 91 (Y): CA 56.070 56.070 55.387 0.683 RESID 91 (Y): CB 37.670 37.670 40.509 -2.839 RESID 91 (Y): H 6.810 6.810 7.140 -0.330 RESID 92 (A): N 123.100 123.100 122.379 0.721 RESID 92 (A): C 175.600 175.600 176.770 -1.170 RESID 92 (A): CA 51.940 51.940 51.253 0.687 RESID 92 (A): CB 20.320 20.320 19.738 0.582 RESID 92 (A): H 8.135 8.135 9.084 -0.949 RESID 93 (A): N 127.000 127.000 127.356 -0.356 RESID 93 (A): C 175.700 175.700 176.630 -0.930 RESID 93 (A): CA 51.020 51.020 50.556 0.464 RESID 93 (A): CB 18.310 18.310 18.421 -0.111 RESID 93 (A): H 8.658 8.658 8.554 0.104 RESID 94 (D): N 122.900 122.900 121.690 1.210 RESID 94 (D): C 175.300 175.300 176.095 -0.795 RESID 94 (D): CA 53.910 53.910 55.056 -1.146 RESID 94 (D): CB 42.030 42.030 42.264 -0.235 RESID 94 (D): H 8.497 8.497 7.732 0.765 RESID 95 (S): N 110.300 110.300 112.219 -1.919 RESID 95 (S): C 171.600 171.600 173.050 -1.450 RESID 95 (S): CA 57.850 57.850 57.338 0.512 RESID 95 (S): CB 66.410 66.410 66.480 -0.070 RESID 95 (S): H 6.844 6.844 7.878 -1.034 RESID 96 (R): N 124.300 124.300 119.630 4.670 RESID 96 (R): C 173.700 173.700 173.839 -0.139 RESID 96 (R): CA 57.450 57.450 55.862 1.588 RESID 96 (R): CB 34.070 34.070 34.348 -0.278 RESID 96 (R): H 9.227 9.227 8.847 0.380 RESID 97 (L): N 124.100 124.100 125.028 -0.928 RESID 97 (L): C 177.600 177.600 175.930 1.670 RESID 97 (L): CA 54.150 54.150 53.760 0.390 RESID 97 (L): CB 42.640 42.640 44.417 -1.777 RESID 97 (L): H 9.343 9.343 8.011 1.332 RESID 98 (V): N 124.500 124.500 123.656 0.844 RESID 98 (V): C 175.700 175.700 174.984 0.716 RESID 98 (V): CA 61.770 61.770 60.858 0.912 RESID 98 (V): CB 32.950 32.950 32.526 0.424 RESID 98 (V): H 9.500 9.500 8.015 1.485 RESID 99 (V): N 116.800 116.800 122.279 -5.479 RESID 99 (V): C 174.600 174.600 173.833 0.767 RESID 99 (V): CA 58.190 58.190 58.489 -0.299 RESID 99 (V): CB 36.780 36.780 35.522 1.258 RESID 99 (V): H 9.192 9.192 8.118 1.074 RESID 100 (A): N 123.400 123.400 122.647 0.753 RESID 100 (A): C 179.200 179.200 178.441 0.759 RESID 100 (A): CA 52.690 52.690 50.626 2.064 RESID 100 (A): CB 18.160 18.160 19.959 -1.800 RESID 100 (A): H 9.043 9.043 8.369 0.674 RESID 101 (K): N 119.600 119.600 123.662 -4.062 RESID 101 (K): C 176.800 176.800 176.922 -0.122 RESID 101 (K): CA 59.360 59.360 58.932 0.428 RESID 101 (K): CB 31.380 31.380 31.853 -0.473 RESID 101 (K): H 7.840 7.840 8.884 -1.044 RESID 102 (N): N 114.400 114.400 115.799 -1.399 RESID 102 (N): C 175.500 175.500 175.272 0.228 RESID 102 (N): CA 52.330 52.330 54.464 -2.134 RESID 102 (N): CB 36.990 36.990 38.409 -1.419 RESID 102 (N): H 7.941 7.941 8.180 -0.239 RESID 103 (S): N 114.800 114.800 115.006 -0.206 RESID 103 (S): C 176.000 176.000 173.298 2.702 RESID 103 (S): CA 58.180 58.180 57.436 0.744 RESID 103 (S): CB 64.310 64.310 63.948 0.362 RESID 103 (S): H 7.700 7.700 7.617 0.083 RESID 104 (D): N 128.500 128.500 129.295 -0.795 RESID 104 (D): C 176.700 176.700 174.983 1.717 RESID 104 (D): CA 52.990 52.990 53.975 -0.985 RESID 104 (D): CB 40.330 40.330 40.911 -0.581 RESID 104 (D): H 8.548 8.548 8.543 0.005 RESID 105 (I): N 122.800 122.800 123.942 -1.142 RESID 105 (I): C 173.800 173.800 174.479 -0.679 RESID 105 (I): CA 63.580 63.580 60.404 3.176 RESID 105 (I): CB 37.490 37.490 40.428 -2.938 RESID 105 (I): H 7.826 7.826 8.154 -0.328 RESID 106 (Q): N 124.600 124.600 125.176 -0.576 RESID 106 (Q): C 174.700 174.700 173.975 0.725 RESID 106 (Q): CA 51.380 51.380 52.023 -0.643 RESID 106 (Q): CB 31.050 31.050 29.079 1.971 RESID 106 (Q): H 8.174 8.174 8.376 -0.202 RESID 107 (P): C 175.300 175.300 175.776 -0.476 RESID 107 (P): CA 61.880 61.880 63.660 -1.780 RESID 107 (P): CB 26.860 26.860 30.821 -3.961 RESID 108 (T): N 114.600 114.600 117.738 -3.138 RESID 108 (T): C 174.000 174.000 174.351 -0.351 RESID 108 (T): CA 57.690 57.690 61.587 -3.897 RESID 108 (T): CB 71.020 71.020 72.055 -1.035 RESID 108 (T): H 8.531 8.531 7.675 0.856 RESID 109 (V): N 121.800 121.800 123.419 -1.619 RESID 109 (V): C 177.300 177.300 176.919 0.381 RESID 109 (V): CA 65.600 65.600 64.747 0.853 RESID 109 (V): CB 30.580 30.580 32.767 -2.187 RESID 109 (V): H 8.775 8.775 8.477 0.298 RESID 110 (E): N 116.900 116.900 120.281 -3.381 RESID 110 (E): C 178.400 178.400 178.876 -0.476 RESID 110 (E): CA 59.260 59.260 60.163 -0.903 RESID 110 (E): CB 28.170 28.170 29.017 -0.847 RESID 110 (E): H 8.414 8.414 8.775 -0.361 RESID 111 (S): N 113.200 113.200 113.251 -0.051 RESID 111 (S): C 176.500 176.500 175.740 0.760 RESID 111 (S): CA 59.370 59.370 60.788 -1.418 RESID 111 (S): CB 63.730 63.730 62.458 1.272 RESID 111 (S): H 7.387 7.387 8.510 -1.123 RESID 112 (L): N 116.100 116.100 120.441 -4.341 RESID 112 (L): C 176.700 176.700 176.710 -0.010 RESID 112 (L): CA 54.580 54.580 55.450 -0.870 RESID 112 (L): CB 42.650 42.650 42.544 0.106 RESID 112 (L): H 7.676 7.676 7.322 0.354 RESID 113 (K): N 121.000 121.000 119.136 1.864 RESID 113 (K): C 178.200 178.200 177.471 0.729 RESID 113 (K): CA 58.850 58.850 58.213 0.637 RESID 113 (K): CB 30.850 30.850 32.247 -1.397 RESID 113 (K): H 7.445 7.445 7.670 -0.225 RESID 114 (G): N 113.900 113.900 112.939 0.961 RESID 114 (G): C 174.200 174.200 174.793 -0.593 RESID 114 (G): CA 45.240 45.240 45.320 -0.080 RESID 114 (G): H 8.454 8.454 8.350 0.104 RESID 115 (K): N 120.600 120.600 121.767 -1.167 RESID 115 (K): C 174.800 174.800 176.090 -1.290 RESID 115 (K): CA 53.710 53.710 54.767 -1.057 RESID 115 (K): CB 31.990 31.990 33.304 -1.314 RESID 115 (K): H 8.530 8.530 7.871 0.659 RESID 116 (R): N 119.300 119.300 120.833 -1.533 RESID 116 (R): C 176.000 176.000 175.430 0.570 RESID 116 (R): CA 54.720 54.720 55.696 -0.976 RESID 116 (R): CB 32.310 32.310 31.825 0.485 RESID 116 (R): H 9.455 9.455 8.428 1.027 RESID 117 (V): N 126.100 126.100 123.218 2.882 RESID 117 (V): C 175.300 175.300 174.961 0.339 RESID 117 (V): CA 60.090 60.090 60.215 -0.125 RESID 117 (V): CB 33.620 33.620 35.563 -1.943 RESID 117 (V): H 9.217 9.217 8.605 0.612 RESID 118 (G): N 114.000 114.000 113.716 0.284 RESID 118 (G): C 172.300 172.300 172.529 -0.229 RESID 118 (G): CA 45.010 45.010 43.637 1.373 RESID 118 (G): H 9.367 9.367 8.096 1.271 RESID 119 (V): N 116.400 116.400 122.636 -6.236 RESID 119 (V): C 174.100 174.100 174.057 0.043 RESID 119 (V): CA 58.270 58.270 60.428 -2.158 RESID 119 (V): CB 36.370 36.370 36.965 -0.595 RESID 119 (V): H 9.166 9.166 9.328 -0.162 RESID 120 (L): N 124.400 124.400 124.027 0.373 RESID 120 (L): C 176.900 176.900 175.700 1.200 RESID 120 (L): CA 53.690 53.690 53.987 -0.297 RESID 120 (L): CB 41.240 41.240 42.802 -1.562 RESID 120 (L): H 8.961 8.961 8.814 0.147 RESID 121 (Q): N 128.000 128.000 127.023 0.977 RESID 121 (Q): C 176.900 176.900 177.241 -0.341 RESID 121 (Q): CA 56.680 56.680 57.069 -0.389 RESID 121 (Q): CB 27.920 27.920 29.531 -1.611 RESID 121 (Q): H 9.305 9.305 8.987 0.318 RESID 122 (G): N 113.600 113.600 113.993 -0.393 RESID 122 (G): C 175.100 175.100 173.578 1.522 RESID 122 (G): CA 45.240 45.240 45.457 -0.217 RESID 122 (G): H 9.383 9.383 8.730 0.653 RESID 123 (T): N 108.400 108.400 110.317 -1.917 RESID 123 (T): C 176.800 176.800 174.489 2.311 RESID 123 (T): CA 60.260 60.260 59.928 0.332 RESID 123 (T): CB 73.530 73.530 70.722 2.808 RESID 123 (T): H 7.220 7.220 7.751 -0.531 RESID 124 (T): N 113.900 113.900 112.930 0.970 RESID 124 (T): C 178.100 178.100 176.508 1.592 RESID 124 (T): CA 63.990 63.990 64.810 -0.820 RESID 124 (T): CB 67.740 67.740 68.755 -1.016 RESID 124 (T): H 8.934 8.934 8.650 0.284 RESID 125 (Q): N 120.600 120.600 122.333 -1.733 RESID 125 (Q): C 178.300 178.300 178.144 0.156 RESID 125 (Q): CA 61.670 61.670 59.693 1.977 RESID 125 (Q): CB 25.310 25.310 28.023 -2.713 RESID 125 (Q): H 7.521 7.521 8.271 -0.750 RESID 126 (E): N 121.900 121.900 119.772 2.128 RESID 126 (E): C 177.600 177.600 178.913 -1.313 RESID 126 (E): CA 59.630 59.630 59.805 -0.175 RESID 126 (E): CB 28.730 28.730 29.639 -0.909 RESID 126 (E): H 7.717 7.717 7.803 -0.086 RESID 127 (T): N 117.800 117.800 116.305 1.495 RESID 127 (T): C 176.200 176.200 176.385 -0.185 RESID 127 (T): CA 66.340 66.340 66.904 -0.564 RESID 127 (T): CB 67.590 67.590 68.747 -1.157 RESID 127 (T): H 8.175 8.175 7.627 0.548 RESID 128 (F): N 121.900 121.900 121.975 -0.075 RESID 128 (F): C 178.000 178.000 177.557 0.443 RESID 128 (F): CA 61.590 61.590 60.789 0.800 RESID 128 (F): CB 38.810 38.810 38.936 -0.126 RESID 128 (F): H 8.882 8.882 8.671 0.211 RESID 129 (G): N 107.000 107.000 107.076 -0.076 RESID 129 (G): C 176.100 176.100 176.475 -0.375 RESID 129 (G): CA 46.690 46.690 47.215 -0.525 RESID 129 (G): H 8.900 8.900 9.164 -0.264 RESID 130 (N): N 123.000 123.000 118.469 4.531 RESID 130 (N): C 176.200 176.200 175.835 0.365 RESID 130 (N): CA 55.400 55.400 55.345 0.055 RESID 130 (N): CB 37.570 37.570 38.202 -0.631 RESID 130 (N): H 8.915 8.915 8.589 0.326 RESID 131 (E): N 119.000 119.000 116.732 2.268 RESID 131 (E): C 177.900 177.900 177.101 0.799 RESID 131 (E): CA 57.940 57.940 56.702 1.238 RESID 131 (E): CB 29.350 29.350 30.759 -1.409 RESID 131 (E): H 7.907 7.907 7.485 0.422 RESID 132 (H): N 112.600 112.600 118.640 -6.040 RESID 132 (H): C 175.900 175.900 175.548 0.352 RESID 132 (H): CA 56.910 56.910 58.785 -1.875 RESID 132 (H): CB 30.510 30.510 29.812 0.698 RESID 132 (H): H 7.877 7.877 7.884 -0.007 RESID 133 (W): N 119.300 119.300 117.374 1.926 RESID 133 (W): C 176.800 176.800 176.164 0.636 RESID 133 (W): CA 55.570 55.570 56.533 -0.963 RESID 133 (W): CB 30.400 30.400 29.768 0.631 RESID 133 (W): H 7.653 7.653 7.513 0.140 RESID 134 (A): N 125.400 125.400 124.673 0.727 RESID 134 (A): C 177.700 177.700 177.225 0.475 RESID 134 (A): CA 55.410 55.410 54.663 0.747 RESID 134 (A): CB 15.990 15.990 16.799 -0.809 RESID 134 (A): H 8.711 8.711 7.539 1.172 RESID 135 (P): C 177.200 177.200 177.386 -0.186 RESID 135 (P): CA 64.510 64.510 64.193 0.317 RESID 135 (P): CB 30.800 30.800 30.974 -0.174 RESID 136 (K): N 115.800 115.800 116.228 -0.428 RESID 136 (K): C 176.500 176.500 177.635 -1.135 RESID 136 (K): CA 53.530 53.530 55.914 -2.384 RESID 136 (K): CB 31.430 31.430 31.998 -0.568 RESID 136 (K): H 7.665 7.665 8.139 -0.474 RESID 137 (G): N 106.100 106.100 108.345 -2.245 RESID 137 (G): C 174.300 174.300 173.539 0.761 RESID 137 (G): CA 45.740 45.740 45.366 0.374 RESID 137 (G): H 7.864 7.864 7.663 0.201 RESID 138 (I): N 124.400 124.400 119.405 4.995 RESID 138 (I): C 174.400 174.400 174.788 -0.388 RESID 138 (I): CA 60.460 60.460 60.150 0.310 RESID 138 (I): CB 38.080 38.080 39.758 -1.678 RESID 138 (I): H 6.889 6.889 7.481 -0.592 RESID 139 (E): N 128.400 128.400 127.334 1.066 RESID 139 (E): C 173.900 173.900 175.084 -1.184 RESID 139 (E): CA 56.050 56.050 55.608 0.442 RESID 139 (E): CB 29.490 29.490 31.244 -1.754 RESID 139 (E): H 8.230 8.230 8.336 -0.106 RESID 140 (I): N 129.500 129.500 121.476 8.024 RESID 140 (I): C 176.100 176.100 174.711 1.389 RESID 140 (I): CA 57.100 57.100 59.027 -1.927 RESID 140 (I): CB 34.440 34.440 40.736 -6.295 RESID 140 (I): H 8.642 8.642 8.346 0.296 RESID 141 (V): N 133.000 133.000 124.798 8.202 RESID 141 (V): C 174.400 174.400 174.449 -0.049 RESID 141 (V): CA 61.060 61.060 61.150 -0.090 RESID 141 (V): CB 32.410 32.410 36.334 -3.924 RESID 141 (V): H 9.387 9.387 9.106 0.281 RESID 142 (S): N 122.900 122.900 120.235 2.665 RESID 142 (S): C 175.000 175.000 173.615 1.385 RESID 142 (S): CA 57.710 57.710 57.243 0.467 RESID 142 (S): CB 63.710 63.710 63.882 -0.172 RESID 142 (S): H 8.490 8.490 8.370 0.120 RESID 143 (Y): N 123.400 123.400 126.005 -2.605 RESID 143 (Y): C 175.900 175.900 176.428 -0.528 RESID 143 (Y): CA 57.300 57.300 57.676 -0.376 RESID 143 (Y): CB 42.300 42.300 41.399 0.901 RESID 143 (Y): H 8.979 8.979 9.339 -0.360 RESID 144 (Q): N 119.500 119.500 119.648 -0.148 RESID 144 (Q): C 176.000 176.000 174.959 1.041 RESID 144 (Q): CA 56.490 56.490 55.877 0.613 RESID 144 (Q): CB 28.470 28.470 29.939 -1.470 RESID 144 (Q): H 8.974 8.974 8.731 0.243 RESID 145 (G): N 106.800 106.800 107.343 -0.543 RESID 145 (G): C 173.500 173.500 174.161 -0.661 RESID 145 (G): CA 44.300 44.300 44.318 -0.018 RESID 145 (G): H 7.531 7.531 7.862 -0.331 RESID 146 (Q): N 124.300 124.300 122.861 1.439 RESID 146 (Q): C 177.200 177.200 177.362 -0.162 RESID 146 (Q): CA 57.800 57.800 58.819 -1.018 RESID 146 (Q): CB 28.190 28.190 28.638 -0.448 RESID 146 (Q): H 8.949 8.949 8.860 0.089 RESID 147 (D): N 117.900 117.900 118.431 -0.531 RESID 147 (D): C 178.900 178.900 178.483 0.417 RESID 147 (D): CA 56.650 56.650 56.862 -0.212 RESID 147 (D): CB 38.890 38.890 39.741 -0.851 RESID 147 (D): H 8.746 8.746 8.787 -0.041 RESID 148 (N): N 117.500 117.500 117.823 -0.323 RESID 148 (N): C 176.700 176.700 177.263 -0.563 RESID 148 (N): CA 55.160 55.160 55.702 -0.542 RESID 148 (N): CB 38.700 38.700 38.124 0.576 RESID 148 (N): H 7.496 7.496 8.547 -1.051 RESID 149 (I): N 120.000 120.000 119.812 0.188 RESID 149 (I): C 177.400 177.400 177.556 -0.156 RESID 149 (I): CA 64.450 64.450 65.015 -0.565 RESID 149 (I): CB 35.900 35.900 37.649 -1.749 RESID 149 (I): H 6.793 6.793 7.107 -0.314 RESID 150 (Y): N 117.400 117.400 117.991 -0.591 RESID 150 (Y): C 178.800 178.800 178.177 0.623 RESID 150 (Y): CA 59.730 59.730 61.631 -1.901 RESID 150 (Y): CB 35.970 35.970 37.691 -1.721 RESID 150 (Y): H 6.897 6.897 7.406 -0.509 RESID 151 (S): N 117.000 117.000 115.005 1.995 RESID 151 (S): C 177.000 177.000 177.056 -0.056 RESID 151 (S): CA 61.300 61.300 61.923 -0.624 RESID 151 (S): CB 62.100 62.100 62.527 -0.427 RESID 151 (S): H 8.186 8.186 8.255 -0.069 RESID 152 (D): N 122.300 122.300 123.431 -1.131 RESID 152 (D): C 179.000 179.000 178.342 0.658 RESID 152 (D): CA 56.580 56.580 56.853 -0.273 RESID 152 (D): CB 38.240 38.240 40.356 -2.116 RESID 152 (D): H 7.541 7.541 7.692 -0.151 RESID 153 (L): N 124.100 124.100 121.227 2.873 RESID 153 (L): C 180.300 180.300 178.523 1.777 RESID 153 (L): CA 58.160 58.160 57.535 0.625 RESID 153 (L): CB 41.630 41.630 41.820 -0.190 RESID 153 (L): H 8.372 8.372 7.867 0.505 RESID 154 (T): N 111.900 111.900 113.504 -1.604 RESID 154 (T): C 176.700 176.700 175.394 1.306 RESID 154 (T): CA 63.920 63.920 65.433 -1.514 RESID 154 (T): CB 68.700 68.700 69.001 -0.301 RESID 154 (T): H 8.389 8.389 8.300 0.089 RESID 155 (A): N 121.800 121.800 120.080 1.720 RESID 155 (A): C 178.200 178.200 178.038 0.162 RESID 155 (A): CA 51.640 51.640 52.305 -0.665 RESID 155 (A): CB 18.990 18.990 19.347 -0.357 RESID 155 (A): H 7.444 7.444 7.065 0.379 RESID 156 (G): N 107.800 107.800 107.124 0.676 RESID 156 (G): C 175.100 175.100 175.380 -0.280 RESID 156 (G): CA 45.420 45.420 45.191 0.229 RESID 156 (G): H 7.921 7.921 7.970 -0.049 RESID 157 (R): N 119.000 119.000 119.216 -0.216 RESID 157 (R): C 176.600 176.600 175.710 0.890 RESID 157 (R): CA 57.260 57.260 57.616 -0.356 RESID 157 (R): CB 30.400 30.400 30.762 -0.362 RESID 157 (R): H 8.443 8.443 8.117 0.326 RESID 158 (I): N 108.900 108.900 112.800 -3.900 RESID 158 (I): C 173.700 173.700 174.283 -0.583 RESID 158 (I): CA 59.900 59.900 59.208 0.692 RESID 158 (I): CB 40.070 40.070 41.074 -1.004 RESID 158 (I): H 7.109 7.109 7.117 -0.008 RESID 159 (D): N 119.100 119.100 123.881 -4.781 RESID 159 (D): C 174.700 174.700 175.663 -0.963 RESID 159 (D): CA 55.900 55.900 56.345 -0.445 RESID 159 (D): CB 43.630 43.630 41.723 1.907 RESID 159 (D): H 8.737 8.737 8.539 0.198 RESID 160 (A): N 116.400 116.400 116.406 -0.006 RESID 160 (A): C 174.900 174.900 174.331 0.569 RESID 160 (A): CA 50.190 50.190 51.483 -1.293 RESID 160 (A): CB 23.030 23.030 21.380 1.650 RESID 160 (A): H 7.702 7.702 7.168 0.534 RESID 161 (A): N 123.400 123.400 121.806 1.594 RESID 161 (A): C 175.500 175.500 175.681 -0.181 RESID 161 (A): CA 49.730 49.730 50.206 -0.476 RESID 161 (A): CB 21.110 21.110 21.628 -0.518 RESID 161 (A): H 8.915 8.915 8.002 0.913 RESID 162 (F): N 125.100 125.100 122.392 2.708 RESID 162 (F): C 172.900 172.900 174.970 -2.070 RESID 162 (F): CA 54.500 54.500 58.214 -3.714 RESID 162 (F): CB 39.400 39.400 38.854 0.546 RESID 162 (F): H 8.971 8.971 8.383 0.588 RESID 163 (Q): N 124.600 124.600 123.346 1.254 RESID 163 (Q): C 173.400 173.400 173.681 -0.281 RESID 163 (Q): CA 53.550 53.550 53.636 -0.086 RESID 163 (Q): CB 34.390 34.390 33.146 1.244 RESID 163 (Q): H 7.904 7.904 8.323 -0.419 RESID 164 (D): N 122.300 122.300 121.298 1.002 RESID 164 (D): C 175.800 175.800 177.218 -1.418 RESID 164 (D): CA 55.540 55.540 54.427 1.113 RESID 164 (D): CB 42.370 42.370 42.032 0.338 RESID 164 (D): H 8.304 8.304 8.431 -0.127 RESID 165 (E): N 128.600 128.600 122.876 5.724 RESID 165 (E): C 177.700 177.700 178.103 -0.403 RESID 165 (E): CA 60.230 60.230 60.112 0.118 RESID 165 (E): CB 30.020 30.020 29.804 0.216 RESID 165 (E): H 8.605 8.605 8.732 -0.127 RESID 166 (V): N 120.100 120.100 118.817 1.283 RESID 166 (V): C 178.300 178.300 177.286 1.014 RESID 166 (V): CA 66.800 66.800 66.711 0.089 RESID 166 (V): CB 30.070 30.070 30.265 -0.195 RESID 166 (V): H 8.748 8.748 8.170 0.578 RESID 167 (A): N 123.200 123.200 120.151 3.049 RESID 167 (A): C 182.500 182.500 179.097 3.403 RESID 167 (A): CA 54.980 54.980 54.691 0.289 RESID 167 (A): CB 17.910 17.910 17.997 -0.087 RESID 167 (A): H 8.655 8.655 7.898 0.757 RESID 168 (A): N 121.300 121.300 122.127 -0.827 RESID 168 (A): C 179.800 179.800 179.701 0.099 RESID 168 (A): CA 54.180 54.180 54.557 -0.377 RESID 168 (A): CB 18.750 18.750 18.392 0.358 RESID 168 (A): H 8.349 8.349 7.830 0.519 RESID 169 (S): N 113.400 113.400 114.318 -0.918 RESID 169 (S): C 175.700 175.700 176.245 -0.545 RESID 169 (S): CA 61.050 61.050 62.808 -1.758 RESID 169 (S): CB 63.050 63.050 62.536 0.514 RESID 169 (S): H 8.058 8.058 8.069 -0.011 RESID 170 (E): N 115.600 115.600 120.172 -4.572 RESID 170 (E): C 178.800 178.800 177.238 1.562 RESID 170 (E): CA 57.610 57.610 58.133 -0.523 RESID 170 (E): CB 29.790 29.790 29.163 0.627 RESID 170 (E): H 8.824 8.824 7.887 0.937 RESID 171 (G): N 103.400 103.400 104.364 -0.964 RESID 171 (G): C 173.700 173.700 174.953 -1.253 RESID 171 (G): CA 44.970 44.970 45.194 -0.224 RESID 171 (G): H 8.154 8.154 7.359 0.794 RESID 172 (F): N 120.100 120.100 122.489 -2.389 RESID 172 (F): C 175.200 175.200 177.687 -2.487 RESID 172 (F): CA 60.690 60.690 61.269 -0.579 RESID 172 (F): CB 40.740 40.740 39.089 1.651 RESID 172 (F): H 7.297 7.297 8.384 -1.087 RESID 173 (L): N 117.800 117.800 117.718 0.082 RESID 173 (L): C 179.000 179.000 178.295 0.705 RESID 173 (L): CA 57.670 57.670 56.852 0.818 RESID 173 (L): CB 40.020 40.020 41.847 -1.827 RESID 173 (L): H 8.470 8.470 7.515 0.955 RESID 174 (K): N 114.600 114.600 117.258 -2.658 RESID 174 (K): C 176.900 176.900 176.176 0.724 RESID 174 (K): CA 56.450 56.450 57.258 -0.808 RESID 174 (K): CB 31.770 31.770 32.580 -0.810 RESID 174 (K): H 8.018 8.018 7.564 0.454 RESID 175 (Q): N 118.800 118.800 117.035 1.765 RESID 175 (Q): C 176.000 176.000 173.915 2.085 RESID 175 (Q): CA 52.510 52.510 52.229 0.281 RESID 175 (Q): CB 26.740 26.740 29.884 -3.144 RESID 175 (Q): H 7.151 7.151 7.255 -0.104 RESID 176 (P): C 179.300 179.300 177.568 1.732 RESID 176 (P): CA 66.100 66.100 65.415 0.685 RESID 176 (P): CB 30.720 30.720 31.634 -0.914 RESID 177 (V): N 112.300 112.300 117.586 -5.286 RESID 177 (V): C 175.900 175.900 177.669 -1.769 RESID 177 (V): CA 62.860 62.860 65.869 -3.009 RESID 177 (V): CB 30.660 30.660 30.931 -0.271 RESID 177 (V): H 7.480 7.480 7.654 -0.174 RESID 178 (G): N 109.700 109.700 105.533 4.167 RESID 178 (G): C 175.000 175.000 174.867 0.133 RESID 178 (G): CA 44.080 44.080 46.114 -2.034 RESID 178 (G): H 7.173 7.173 7.843 -0.670 RESID 179 (K): N 120.900 120.900 119.153 1.747 RESID 179 (K): C 177.100 177.100 177.614 -0.514 RESID 179 (K): CA 58.360 58.360 58.457 -0.097 RESID 179 (K): CB 31.260 31.260 32.300 -1.040 RESID 179 (K): H 6.972 6.972 7.398 -0.426 RESID 180 (D): N 117.200 117.200 117.186 0.014 RESID 180 (D): C 173.900 173.900 175.871 -1.971 RESID 180 (D): CA 53.920 53.920 55.894 -1.974 RESID 180 (D): CB 39.690 39.690 41.314 -1.624 RESID 180 (D): H 8.036 8.036 7.442 0.594 RESID 181 (Y): N 120.500 120.500 114.958 5.542 RESID 181 (Y): C 172.300 172.300 173.486 -1.186 RESID 181 (Y): CA 57.890 57.890 57.747 0.143 RESID 181 (Y): CB 41.860 41.860 42.357 -0.497 RESID 181 (Y): H 7.768 7.768 7.445 0.323 RESID 182 (K): N 116.900 116.900 118.854 -1.954 RESID 182 (K): C 174.900 174.900 174.308 0.592 RESID 182 (K): CA 54.330 54.330 56.432 -2.103 RESID 182 (K): CB 35.610 35.610 33.317 2.293 RESID 182 (K): H 9.497 9.497 8.857 0.640 RESID 183 (F): N 117.900 117.900 121.151 -3.251 RESID 183 (F): C 177.800 177.800 175.133 2.667 RESID 183 (F): CA 56.780 56.780 57.914 -1.134 RESID 183 (F): CB 38.320 38.320 42.950 -4.630 RESID 183 (F): H 8.470 8.470 8.157 0.313 RESID 184 (G): N 113.700 113.700 109.021 4.679 RESID 184 (G): C 173.300 173.300 174.863 -1.563 RESID 184 (G): CA 46.900 46.900 44.910 1.990 RESID 184 (G): H 9.107 9.107 8.809 0.298 RESID 185 (G): N 111.000 111.000 108.780 2.220 RESID 185 (G): C 171.100 171.100 172.840 -1.740 RESID 185 (G): CA 44.530 44.530 45.436 -0.906 RESID 185 (G): H 7.702 7.702 8.243 -0.541 RESID 186 (P): C 175.500 175.500 176.219 -0.719 RESID 186 (P): CA 61.920 61.920 64.417 -2.497 RESID 186 (P): CB 32.640 32.640 31.800 0.840 RESID 187 (S): N 113.500 113.500 119.520 -6.020 RESID 187 (S): C 173.500 173.500 173.771 -0.271 RESID 187 (S): CA 57.930 57.930 57.345 0.585 RESID 187 (S): CB 63.260 63.260 65.855 -2.595 RESID 187 (S): H 8.452 8.452 8.366 0.086 RESID 188 (V): N 123.300 123.300 122.287 1.013 RESID 188 (V): C 173.900 173.900 173.729 0.171 RESID 188 (V): CA 61.800 61.800 61.716 0.084 RESID 188 (V): CB 32.680 32.680 34.186 -1.506 RESID 188 (V): H 9.080 9.080 7.962 1.118 RESID 189 (K): N 125.200 125.200 122.052 3.148 RESID 189 (K): C 176.700 176.700 174.144 2.556 RESID 189 (K): CA 54.680 54.680 56.088 -1.408 RESID 189 (K): CB 33.780 33.780 34.191 -0.412 RESID 189 (K): H 8.123 8.123 8.242 -0.119 RESID 190 (D): N 120.300 120.300 122.216 -1.916 RESID 190 (D): C 175.300 175.300 176.921 -1.621 RESID 190 (D): CA 55.610 55.610 53.550 2.060 RESID 190 (D): CB 42.620 42.620 40.475 2.145 RESID 190 (D): H 8.823 8.823 8.250 0.573 RESID 191 (E): N 129.100 129.100 126.627 2.473 RESID 191 (E): C 177.300 177.300 177.616 -0.316 RESID 191 (E): CA 59.310 59.310 58.522 0.789 RESID 191 (E): CB 28.420 28.420 29.540 -1.120 RESID 191 (E): H 9.239 9.239 8.857 0.382 RESID 192 (K): N 118.000 118.000 119.039 -1.039 RESID 192 (K): C 178.200 178.200 177.842 0.358 RESID 192 (K): CA 58.140 58.140 58.868 -0.729 RESID 192 (K): CB 31.690 31.690 32.174 -0.484 RESID 192 (K): H 7.918 7.918 8.786 -0.868 RESID 193 (L): N 118.200 118.200 117.739 0.461 RESID 193 (L): C 177.700 177.700 177.740 -0.040 RESID 193 (L): CA 55.790 55.790 56.917 -1.127 RESID 193 (L): CB 42.330 42.330 42.071 0.259 RESID 193 (L): H 8.362 8.362 7.165 1.197 RESID 194 (F): N 116.800 116.800 113.561 3.239 RESID 194 (F): C 178.200 178.200 175.794 2.406 RESID 194 (F): CA 54.620 54.620 57.349 -2.729 RESID 194 (F): CB 37.390 37.390 40.105 -2.715 RESID 194 (F): H 8.036 8.036 7.294 0.742 RESID 195 (G): N 106.900 106.900 108.881 -1.981 RESID 195 (G): C 174.200 174.200 174.560 -0.360 RESID 195 (G): CA 44.120 44.120 44.925 -0.805 RESID 195 (G): H 7.510 7.510 7.668 -0.158 RESID 196 (V): N 112.400 112.400 124.023 -11.623 RESID 196 (V): C 175.300 175.300 175.820 -0.520 RESID 196 (V): CA 60.720 60.720 63.964 -3.244 RESID 196 (V): CB 30.630 30.630 32.123 -1.493 RESID 196 (V): H 8.064 8.064 8.333 -0.269 RESID 197 (G): N 108.100 108.100 105.204 2.896 RESID 197 (G): C 172.300 172.300 172.016 0.284 RESID 197 (G): CA 43.210 43.210 45.271 -2.061 RESID 197 (G): H 7.788 7.788 7.252 0.536 RESID 198 (T): N 109.200 109.200 113.379 -4.179 RESID 198 (T): C 172.800 172.800 173.136 -0.336 RESID 198 (T): CA 59.090 59.090 59.319 -0.229 RESID 198 (T): CB 71.080 71.080 71.279 -0.199 RESID 198 (T): H 7.796 7.796 7.969 -0.173 RESID 199 (G): N 103.900 103.900 108.143 -4.243 RESID 199 (G): C 171.800 171.800 172.238 -0.438 RESID 199 (G): CA 43.840 43.840 45.637 -1.797 RESID 199 (G): H 7.928 7.928 7.850 0.078 RESID 200 (M): N 121.400 121.400 119.455 1.945 RESID 200 (M): C 176.200 176.200 176.087 0.113 RESID 200 (M): CA 55.260 55.260 54.762 0.498 RESID 200 (M): CB 33.390 33.390 35.610 -2.220 RESID 200 (M): H 7.971 7.971 8.187 -0.216 RESID 201 (G): N 112.200 112.200 110.479 1.721 RESID 201 (G): C 172.000 172.000 172.753 -0.753 RESID 201 (G): CA 44.540 44.540 44.335 0.205 RESID 201 (G): H 8.818 8.818 8.473 0.345 RESID 202 (L): N 124.700 124.700 125.052 -0.352 RESID 202 (L): C 176.000 176.000 175.982 0.018 RESID 202 (L): CA 53.740 53.740 52.858 0.882 RESID 202 (L): CB 46.010 46.010 45.860 0.150 RESID 202 (L): H 8.767 8.767 8.665 0.102 RESID 203 (R): N 121.600 121.600 120.123 1.477 RESID 203 (R): C 180.400 180.400 177.914 2.486 RESID 203 (R): CA 57.130 57.130 55.469 1.661 RESID 203 (R): CB 29.650 29.650 31.287 -1.637 RESID 203 (R): H 10.270 10.270 8.124 2.146 RESID 204 (K): N 123.200 123.200 124.471 -1.271 RESID 204 (K): C 178.200 178.200 177.647 0.553 RESID 204 (K): CA 59.570 59.570 59.674 -0.104 RESID 204 (K): CB 31.840 31.840 32.149 -0.309 RESID 204 (K): H 9.231 9.231 8.672 0.559 RESID 205 (E): N 113.800 113.800 117.067 -3.267 RESID 205 (E): C 177.700 177.700 177.899 -0.199 RESID 205 (E): CA 57.230 57.230 58.209 -0.979 RESID 205 (E): CB 27.770 27.770 28.893 -1.123 RESID 205 (E): H 9.026 9.026 8.222 0.804 RESID 206 (D): N 126.000 126.000 120.874 5.126 RESID 206 (D): C 177.300 177.300 176.481 0.819 RESID 206 (D): CA 53.710 53.710 53.621 0.089 RESID 206 (D): CB 37.530 37.530 38.693 -1.163 RESID 206 (D): H 7.253 7.253 8.078 -0.825 RESID 207 (N): N 120.100 120.100 120.466 -0.366 RESID 207 (N): C 176.900 176.900 176.994 -0.094 RESID 207 (N): CA 56.950 56.950 56.460 0.490 RESID 207 (N): CB 38.820 38.820 38.890 -0.070 RESID 207 (N): H 7.839 7.839 8.699 -0.860 RESID 208 (E): N 120.500 120.500 119.003 1.497 RESID 208 (E): C 179.900 179.900 178.477 1.423 RESID 208 (E): CA 59.870 59.870 58.979 0.891 RESID 208 (E): CB 27.630 27.630 29.442 -1.812 RESID 208 (E): H 8.776 8.776 8.330 0.446 RESID 209 (L): N 122.900 122.900 120.420 2.480 RESID 209 (L): C 177.100 177.100 178.206 -1.106 RESID 209 (L): CA 57.400 57.400 57.560 -0.160 RESID 209 (L): CB 40.660 40.660 41.846 -1.186 RESID 209 (L): H 8.366 8.366 7.867 0.499 RESID 210 (R): N 119.100 119.100 118.767 0.333 RESID 210 (R): C 177.400 177.400 178.217 -0.817 RESID 210 (R): CA 59.970 59.970 59.731 0.239 RESID 210 (R): CB 30.110 30.110 30.024 0.086 RESID 210 (R): H 7.582 7.582 8.327 -0.745 RESID 211 (E): N 116.200 116.200 119.248 -3.048 RESID 211 (E): C 179.800 179.800 178.535 1.265 RESID 211 (E): CA 59.150 59.150 59.265 -0.115 RESID 211 (E): CB 28.600 28.600 29.596 -0.996 RESID 211 (E): H 8.407 8.407 7.873 0.534 RESID 212 (A): N 123.500 123.500 122.659 0.841 RESID 212 (A): C 181.300 181.300 179.653 1.647 RESID 212 (A): CA 54.810 54.810 54.710 0.100 RESID 212 (A): CB 17.170 17.170 18.140 -0.970 RESID 212 (A): H 8.128 8.128 7.626 0.502 RESID 213 (L): N 121.200 121.200 119.577 1.623 RESID 213 (L): C 178.400 178.400 179.612 -1.212 RESID 213 (L): CA 57.710 57.710 58.180 -0.470 RESID 213 (L): CB 41.450 41.450 41.207 0.243 RESID 213 (L): H 8.364 8.364 8.044 0.320 RESID 214 (N): N 119.200 119.200 116.479 2.721 RESID 214 (N): C 179.700 179.700 177.845 1.855 RESID 214 (N): CA 55.260 55.260 55.876 -0.616 RESID 214 (N): CB 37.120 37.120 37.915 -0.795 RESID 214 (N): H 8.435 8.435 8.314 0.121 RESID 215 (K): N 123.800 123.800 121.325 2.475 RESID 215 (K): C 178.400 178.400 178.515 -0.115 RESID 215 (K): CA 59.090 59.090 59.401 -0.311 RESID 215 (K): CB 31.740 31.740 32.475 -0.735 RESID 215 (K): H 8.080 8.080 8.448 -0.368 RESID 216 (A): N 122.200 122.200 121.687 0.513 RESID 216 (A): C 179.500 179.500 179.497 0.003 RESID 216 (A): CA 54.140 54.140 54.884 -0.744 RESID 216 (A): CB 18.700 18.700 18.255 0.445 RESID 216 (A): H 7.935 7.935 8.179 -0.244 RESID 217 (F): N 119.500 119.500 120.110 -0.610 RESID 217 (F): C 177.200 177.200 176.951 0.249 RESID 217 (F): CA 61.390 61.390 60.270 1.121 RESID 217 (F): CB 38.000 38.000 39.055 -1.055 RESID 217 (F): H 8.916 8.916 8.287 0.629 RESID 218 (A): N 121.300 121.300 121.178 0.122 RESID 218 (A): C 182.100 182.100 179.674 2.426 RESID 218 (A): CA 54.810 54.810 55.194 -0.384 RESID 218 (A): CB 16.650 16.650 17.982 -1.332 RESID 218 (A): H 7.956 7.956 8.133 -0.177 RESID 219 (E): N 120.000 120.000 119.018 0.982 RESID 219 (E): C 178.600 178.600 178.998 -0.398 RESID 219 (E): CA 59.040 59.040 59.296 -0.256 RESID 219 (E): CB 28.320 28.320 29.479 -1.159 RESID 219 (E): H 7.952 7.952 7.813 0.139 RESID 220 (M): N 120.900 120.900 118.121 2.779 RESID 220 (M): C 179.000 179.000 178.542 0.458 RESID 220 (M): CA 57.430 57.430 59.457 -2.027 RESID 220 (M): CB 32.620 32.620 32.444 0.176 RESID 220 (M): H 8.190 8.190 8.126 0.064 RESID 221 (R): N 119.200 119.200 118.358 0.842 RESID 221 (R): C 179.300 179.300 178.876 0.424 RESID 221 (R): CA 58.710 58.710 58.924 -0.214 RESID 221 (R): CB 27.480 27.480 29.845 -2.365 RESID 221 (R): H 7.762 7.762 7.507 0.255 RESID 222 (A): N 122.500 122.500 122.085 0.415 RESID 222 (A): C 179.300 179.300 178.941 0.359 RESID 222 (A): CA 54.180 54.180 54.633 -0.453 RESID 222 (A): CB 18.030 18.030 18.544 -0.514 RESID 222 (A): H 7.838 7.838 7.720 0.118 RESID 223 (D): N 115.100 115.100 114.706 0.394 RESID 223 (D): C 177.900 177.900 177.251 0.649 RESID 223 (D): CA 53.020 53.020 53.138 -0.118 RESID 223 (D): CB 39.570 39.570 40.490 -0.921 RESID 223 (D): H 8.091 8.091 7.965 0.126 RESID 224 (G): N 106.700 106.700 108.761 -2.061 RESID 224 (G): C 176.000 176.000 176.002 -0.002 RESID 224 (G): CA 45.070 45.070 46.269 -1.199 RESID 224 (G): H 7.199 7.199 7.384 -0.185 RESID 225 (T): N 122.400 122.400 117.159 5.241 RESID 225 (T): C 175.700 175.700 175.264 0.436 RESID 225 (T): CA 67.610 67.610 67.890 -0.280 RESID 225 (T): CB 66.840 66.840 68.748 -1.908 RESID 225 (T): H 9.095 9.095 8.793 0.302 RESID 226 (Y): N 121.500 121.500 121.663 -0.163 RESID 226 (Y): C 176.000 176.000 176.903 -0.903 RESID 226 (Y): CA 62.530 62.530 62.262 0.268 RESID 226 (Y): CB 38.410 38.410 38.270 0.140 RESID 226 (Y): H 8.040 8.040 7.624 0.416 RESID 227 (E): N 118.200 118.200 118.663 -0.463 RESID 227 (E): C 178.200 178.200 178.689 -0.489 RESID 227 (E): CA 58.940 58.940 59.451 -0.511 RESID 227 (E): CB 28.810 28.810 29.117 -0.307 RESID 227 (E): H 8.153 8.153 8.583 -0.430 RESID 228 (K): N 119.100 119.100 120.466 -1.366 RESID 228 (K): C 179.500 179.500 179.099 0.401 RESID 228 (K): CA 59.260 59.260 59.517 -0.257 RESID 228 (K): CB 31.520 31.520 32.436 -0.916 RESID 228 (K): H 7.558 7.558 8.357 -0.799 RESID 229 (L): N 119.100 119.100 119.340 -0.240 RESID 229 (L): C 179.300 179.300 178.856 0.444 RESID 229 (L): CA 56.970 56.970 57.729 -0.759 RESID 229 (L): CB 41.520 41.520 41.732 -0.212 RESID 229 (L): H 8.055 8.055 8.136 -0.081 RESID 230 (A): N 121.200 121.200 122.075 -0.875 RESID 230 (A): C 180.500 180.500 179.234 1.266 RESID 230 (A): CA 54.890 54.890 55.446 -0.556 RESID 230 (A): CB 17.570 17.570 17.703 -0.133 RESID 230 (A): H 8.901 8.901 8.267 0.634 RESID 231 (K): N 117.200 117.200 118.080 -0.880 RESID 231 (K): C 177.700 177.700 178.246 -0.546 RESID 231 (K): CA 57.370 57.370 58.832 -1.462 RESID 231 (K): CB 31.330 31.330 32.393 -1.063 RESID 231 (K): H 8.062 8.062 8.132 -0.070 RESID 232 (K): N 117.600 117.600 116.915 0.685 RESID 232 (K): C 176.800 176.800 179.361 -2.561 RESID 232 (K): CA 57.890 57.890 58.823 -0.933 RESID 232 (K): CB 31.150 31.150 32.787 -1.637 RESID 232 (K): H 7.053 7.053 7.581 -0.528 RESID 233 (Y): N 114.000 114.000 117.164 -3.164 RESID 233 (Y): C 175.100 175.100 175.770 -0.670 RESID 233 (Y): CA 58.110 58.110 61.291 -3.181 RESID 233 (Y): CB 39.360 39.360 39.023 0.337 RESID 233 (Y): H 7.013 7.013 8.278 -1.265 RESID 234 (F): N 116.400 116.400 113.431 2.969 RESID 234 (F): C 175.800 175.800 173.458 2.342 RESID 234 (F): CA 54.920 54.920 56.719 -1.800 RESID 234 (F): CB 41.260 41.260 42.822 -1.562 RESID 234 (F): H 8.038 8.038 8.185 -0.147 RESID 235 (D): N 123.000 123.000 121.115 1.885 RESID 235 (D): C 174.500 174.500 174.832 -0.332 RESID 235 (D): CA 52.680 52.680 53.280 -0.600 RESID 235 (D): CB 39.860 39.860 39.373 0.487 RESID 235 (D): H 8.879 8.879 8.571 0.308 RESID 236 (F): N 115.500 115.500 120.719 -5.219 RESID 236 (F): C 173.600 173.600 173.718 -0.118 RESID 236 (F): CA 53.950 53.950 56.635 -2.685 RESID 236 (F): CB 39.860 39.860 39.746 0.114 RESID 236 (F): H 6.793 6.793 7.431 -0.638 RESID 237 (D): N 119.700 119.700 121.919 -2.219 RESID 237 (D): C 175.800 175.800 177.117 -1.317 RESID 237 (D): CA 52.980 52.980 52.654 0.326 RESID 237 (D): CB 39.210 39.210 41.781 -2.571 RESID 237 (D): H 8.831 8.831 8.613 0.218 RESID 238 (V): N 129.900 129.900 122.432 7.468 RESID 238 (V): C 175.200 175.200 176.678 -1.478 RESID 238 (V): CA 61.840 61.840 65.109 -3.269 RESID 238 (V): CB 32.500 32.500 31.920 0.580 RESID 238 (V): H 7.376 7.376 8.346 -0.970 RESID 239 (Y): N 123.500 123.500 119.088 4.412 RESID 239 (Y): C 176.500 176.500 178.478 -1.978 RESID 239 (Y): CA 61.920 61.920 61.100 0.820 RESID 239 (Y): CB 38.010 38.010 37.716 0.294 RESID 239 (Y): H 8.314 8.314 7.921 0.393 RESID 240 (G): N 104.100 104.100 104.526 -0.426 RESID 240 (G): C 174.600 174.600 174.882 -0.282 RESID 240 (G): CA 45.930 45.930 45.317 0.613 RESID 240 (G): H 7.428 7.428 8.406 -0.978 N HA C CA CB H RESID 6 (P): ----- ----- -0.722 -0.621 -0.729 ----- RESID 7 (Q): 0.505 ----- -0.449 -0.894 -0.494 -0.341 RESID 8 (N): 1.792 ----- -0.496 -0.557 -1.030 -0.331 RESID 9 (I): -1.536 ----- -0.249 -0.528 -0.695 -0.707 RESID 10 (R): -0.451 ----- 0.349 -1.423 -0.659 0.287 RESID 11 (I): 2.669 ----- 0.502 0.126 -4.301 0.195 RESID 12 (G): 0.919 ----- -1.280 0.245 ----- 0.886 RESID 13 (T): -1.322 ----- 8.375 -0.311 -1.832 0.701 RESID 14 (D): -0.565 ----- 2.956 -0.352 -1.407 -0.402 RESID 15 (P): ----- ----- -1.072 -1.362 -4.530 ----- RESID 16 (T): 5.325 ----- 0.563 -2.536 -1.095 0.453 RESID 17 (Y): 3.861 ----- -0.395 -1.989 0.155 0.864 RESID 18 (A): 2.436 ----- -0.492 -4.597 -0.230 0.014 RESID 19 (P): ----- ----- -4.186 -2.395 0.136 ----- RESID 20 (F): 6.892 ----- 1.539 2.667 -3.277 -0.218 RESID 21 (E): -2.582 ----- -0.908 -0.978 -5.459 -0.925 RESID 22 (S): 4.232 ----- -0.805 -1.298 -1.122 0.434 RESID 23 (K): -2.049 ----- 2.556 -1.629 -1.710 -0.016 RESID 24 (N): 1.243 ----- 0.922 -1.539 -1.888 -0.230 RESID 25 (S): ----- ----- 0.043 -0.010 -0.131 ----- RESID 26 (Q): -0.192 ----- -0.557 -0.347 -0.443 -0.318 RESID 27 (G): 1.175 ----- -0.305 0.056 ----- 0.356 RESID 28 (E): 1.600 ----- 0.269 -1.331 -0.983 -0.304 RESID 29 (L): 2.272 ----- 1.126 0.405 -2.396 -0.007 RESID 30 (V): -3.751 ----- 1.800 -1.708 0.132 1.249 RESID 31 (G): -0.414 ----- 0.974 -1.519 ----- 0.925 RESID 32 (F): -2.631 ----- 1.900 -1.037 -0.467 -0.152 RESID 33 (D): -2.698 ----- 1.042 -0.600 -1.814 1.503 RESID 34 (I): -0.834 ----- 0.259 -3.834 -4.185 -1.270 RESID 35 (D): 1.411 ----- 1.928 -0.340 0.117 0.626 RESID 36 (L): -0.380 ----- 0.535 -0.025 0.664 1.312 RESID 37 (A): -1.587 ----- -0.927 -0.121 -1.111 0.720 RESID 38 (K): -2.846 ----- 0.965 0.417 -0.489 0.650 RESID 39 (E): 2.177 ----- -1.069 -0.861 -1.494 -0.040 RESID 40 (L): 1.015 ----- -0.120 0.198 -1.524 0.723 RESID 41 (C): -2.692 ----- -1.673 -0.351 21.413 -0.135 RESID 42 (K): -0.367 ----- 1.689 -0.631 -0.927 -0.579 RESID 43 (R): 1.553 ----- 0.035 0.310 -0.239 0.428 RESID 44 (I): -5.732 ----- -0.843 -2.149 -1.586 -0.647 RESID 45 (N): 3.107 ----- -0.332 -0.951 0.700 -0.333 RESID 46 (T): 7.065 ----- 0.260 -0.244 -1.373 -0.012 RESID 47 (Q): 3.496 ----- 0.815 -0.568 -1.806 -0.320 RESID 48 (C): -0.553 ----- -0.583 -4.749 17.899 0.205 RESID 49 (T): -1.912 ----- 0.141 -1.056 -0.045 -0.433 RESID 50 (F): -2.157 ----- -0.123 0.002 0.421 0.351 RESID 51 (V): 2.696 ----- -0.001 -0.031 -1.739 0.268 RESID 52 (E): -2.147 ----- 1.791 -3.055 -1.015 -0.171 RESID 53 (N): 7.435 ----- -2.087 0.133 5.285 0.727 RESID 54 (P): ----- ----- -0.179 -0.683 -1.466 ----- RESID 55 (L): -0.190 ----- 0.889 -1.056 0.053 0.295 RESID 56 (D): -3.614 ----- -0.828 -0.764 -0.550 0.131 RESID 57 (A): 0.456 ----- 1.045 -2.181 -0.477 -0.297 RESID 58 (L): 1.103 ----- -0.953 0.859 -1.773 -0.293 RESID 59 (I): 0.111 ----- 1.252 1.635 -0.717 1.381 RESID 60 (P): ----- ----- 0.881 -0.636 -1.272 ----- RESID 61 (S): -0.106 ----- -1.195 0.291 ----- -0.404 RESID 62 (L): 3.179 ----- 1.994 -0.337 0.030 0.177 RESID 63 (K): 1.897 ----- 0.135 0.342 -1.730 0.704 RESID 64 (A): 0.017 ----- -0.468 -0.329 -0.487 -0.262 RESID 65 (K): -1.781 ----- -0.468 -0.176 -2.176 0.083 RESID 66 (K): 2.882 ----- -0.525 -1.234 -0.840 0.596 RESID 67 (I): -4.932 ----- -1.397 0.031 -0.592 -0.225 RESID 68 (D): -2.787 ----- -3.569 0.128 1.631 1.052 RESID 69 (A): -0.507 ----- 1.047 -1.073 -0.095 0.032 RESID 70 (I): -0.010 ----- 0.058 -0.591 0.170 1.364 RESID 71 (M): -1.005 ----- -1.593 -1.906 -0.657 0.166 RESID 72 (S): 1.759 ----- -0.998 0.838 -0.384 0.135 RESID 73 (S): 4.109 ----- -0.132 -1.339 -0.194 -0.092 RESID 74 (L): -2.911 ----- -0.520 -1.175 -0.329 0.954 RESID 75 (S): 2.184 ----- 0.824 2.179 -1.747 0.261 RESID 76 (I): 9.571 ----- 0.920 1.781 -3.895 -0.025 RESID 77 (T): 3.047 ----- -0.266 -2.234 -0.730 -1.025 RESID 78 (E): -0.532 ----- 1.630 -1.733 -0.640 0.040 RESID 79 (K): 0.089 ----- 1.572 -0.303 -0.691 0.048 RESID 80 (R): -0.327 ----- 0.143 0.378 0.303 0.278 RESID 81 (Q): -0.697 ----- -2.409 -1.495 0.327 0.117 RESID 82 (Q): -2.587 ----- -0.391 -1.127 -0.536 -0.667 RESID 83 (E): -2.088 ----- -0.888 -1.406 1.871 -0.301 RESID 84 (I): 3.254 ----- -1.336 0.464 -0.685 0.303 RESID 85 (A): 0.226 ----- -0.253 -1.103 0.830 0.229 RESID 86 (F): -3.516 ----- 2.989 -1.040 0.242 -0.323 RESID 87 (T): -6.729 ----- 0.890 0.753 2.710 -0.458 RESID 88 (D): -2.080 ----- -1.319 -0.742 1.062 -0.006 RESID 89 (K): 1.583 ----- -0.393 -1.720 0.333 -0.024 RESID 90 (L): -3.015 ----- 0.331 -2.737 -1.640 0.043 RESID 91 (Y): 0.607 ----- -1.148 0.683 -2.839 -0.330 RESID 92 (A): 0.721 ----- -1.170 0.687 0.582 -0.949 RESID 93 (A): -0.356 ----- -0.930 0.464 -0.111 0.104 RESID 94 (D): 1.210 ----- -0.795 -1.146 -0.235 0.765 RESID 95 (S): -1.919 ----- -1.450 0.512 -0.070 -1.034 RESID 96 (R): 4.670 ----- -0.139 1.588 -0.278 0.380 RESID 97 (L): -0.928 ----- 1.670 0.390 -1.777 1.332 RESID 98 (V): 0.844 ----- 0.716 0.912 0.424 1.485 RESID 99 (V): -5.479 ----- 0.767 -0.299 1.258 1.074 RESID 100 (A): 0.753 ----- 0.759 2.064 -1.800 0.674 RESID 101 (K): -4.062 ----- -0.122 0.428 -0.473 -1.044 RESID 102 (N): -1.399 ----- 0.228 -2.134 -1.419 -0.239 RESID 103 (S): -0.206 ----- 2.702 0.744 0.362 0.083 RESID 104 (D): -0.795 ----- 1.717 -0.985 -0.581 0.005 RESID 105 (I): -1.142 ----- -0.679 3.176 -2.938 -0.328 RESID 106 (Q): -0.576 ----- 0.725 -0.643 1.971 -0.202 RESID 107 (P): ----- ----- -0.476 -1.780 -3.961 ----- RESID 108 (T): -3.138 ----- -0.351 -3.897 -1.035 0.856 RESID 109 (V): -1.619 ----- 0.381 0.853 -2.187 0.298 RESID 110 (E): -3.381 ----- -0.476 -0.903 -0.847 -0.361 RESID 111 (S): -0.051 ----- 0.760 -1.418 1.272 -1.123 RESID 112 (L): -4.341 ----- -0.010 -0.870 0.106 0.354 RESID 113 (K): 1.864 ----- 0.729 0.637 -1.397 -0.225 RESID 114 (G): 0.961 ----- -0.593 -0.080 ----- 0.104 RESID 115 (K): -1.167 ----- -1.290 -1.057 -1.314 0.659 RESID 116 (R): -1.533 ----- 0.570 -0.976 0.485 1.027 RESID 117 (V): 2.882 ----- 0.339 -0.125 -1.943 0.612 RESID 118 (G): 0.284 ----- -0.229 1.373 ----- 1.271 RESID 119 (V): -6.236 ----- 0.043 -2.158 -0.595 -0.162 RESID 120 (L): 0.373 ----- 1.200 -0.297 -1.562 0.147 RESID 121 (Q): 0.977 ----- -0.341 -0.389 -1.611 0.318 RESID 122 (G): -0.393 ----- 1.522 -0.217 ----- 0.653 RESID 123 (T): -1.917 ----- 2.311 0.332 2.808 -0.531 RESID 124 (T): 0.970 ----- 1.592 -0.820 -1.016 0.284 RESID 125 (Q): -1.733 ----- 0.156 1.977 -2.713 -0.750 RESID 126 (E): 2.128 ----- -1.313 -0.175 -0.909 -0.086 RESID 127 (T): 1.495 ----- -0.185 -0.564 -1.157 0.548 RESID 128 (F): -0.075 ----- 0.443 0.800 -0.126 0.211 RESID 129 (G): -0.076 ----- -0.375 -0.525 ----- -0.264 RESID 130 (N): 4.531 ----- 0.365 0.055 -0.631 0.326 RESID 131 (E): 2.268 ----- 0.799 1.238 -1.409 0.422 RESID 132 (H): -6.040 ----- 0.352 -1.875 0.698 -0.007 RESID 133 (W): 1.926 ----- 0.636 -0.963 0.631 0.140 RESID 134 (A): 0.727 ----- 0.475 0.747 -0.809 1.172 RESID 135 (P): ----- ----- -0.186 0.317 -0.174 ----- RESID 136 (K): -0.428 ----- -1.135 -2.384 -0.568 -0.474 RESID 137 (G): -2.245 ----- 0.761 0.374 ----- 0.201 RESID 138 (I): 4.995 ----- -0.388 0.310 -1.678 -0.592 RESID 139 (E): 1.066 ----- -1.184 0.442 -1.754 -0.106 RESID 140 (I): 8.024 ----- 1.389 -1.927 -6.295 0.296 RESID 141 (V): 8.202 ----- -0.049 -0.090 -3.924 0.281 RESID 142 (S): 2.665 ----- 1.385 0.467 -0.172 0.120 RESID 143 (Y): -2.605 ----- -0.528 -0.376 0.901 -0.360 RESID 144 (Q): -0.148 ----- 1.041 0.613 -1.470 0.243 RESID 145 (G): -0.543 ----- -0.661 -0.018 ----- -0.331 RESID 146 (Q): 1.439 ----- -0.162 -1.018 -0.448 0.089 RESID 147 (D): -0.531 ----- 0.417 -0.212 -0.851 -0.041 RESID 148 (N): -0.323 ----- -0.563 -0.542 0.576 -1.051 RESID 149 (I): 0.188 ----- -0.156 -0.565 -1.749 -0.314 RESID 150 (Y): -0.591 ----- 0.623 -1.901 -1.721 -0.509 RESID 151 (S): 1.995 ----- -0.056 -0.624 -0.427 -0.069 RESID 152 (D): -1.131 ----- 0.658 -0.273 -2.116 -0.151 RESID 153 (L): 2.873 ----- 1.777 0.625 -0.190 0.505 RESID 154 (T): -1.604 ----- 1.306 -1.514 -0.301 0.089 RESID 155 (A): 1.720 ----- 0.162 -0.665 -0.357 0.379 RESID 156 (G): 0.676 ----- -0.280 0.229 ----- -0.049 RESID 157 (R): -0.216 ----- 0.890 -0.356 -0.362 0.326 RESID 158 (I): -3.900 ----- -0.583 0.692 -1.004 -0.008 RESID 159 (D): -4.781 ----- -0.963 -0.445 1.907 0.198 RESID 160 (A): -0.006 ----- 0.569 -1.293 1.650 0.534 RESID 161 (A): 1.594 ----- -0.181 -0.476 -0.518 0.913 RESID 162 (F): 2.708 ----- -2.070 -3.714 0.546 0.588 RESID 163 (Q): 1.254 ----- -0.281 -0.086 1.244 -0.419 RESID 164 (D): 1.002 ----- -1.418 1.113 0.338 -0.127 RESID 165 (E): 5.724 ----- -0.403 0.118 0.216 -0.127 RESID 166 (V): 1.283 ----- 1.014 0.089 -0.195 0.578 RESID 167 (A): 3.049 ----- 3.403 0.289 -0.087 0.757 RESID 168 (A): -0.827 ----- 0.099 -0.377 0.358 0.519 RESID 169 (S): -0.918 ----- -0.545 -1.758 0.514 -0.011 RESID 170 (E): -4.572 ----- 1.562 -0.523 0.627 0.937 RESID 171 (G): -0.964 ----- -1.253 -0.224 ----- 0.794 RESID 172 (F): -2.389 ----- -2.487 -0.579 1.651 -1.087 RESID 173 (L): 0.082 ----- 0.705 0.818 -1.827 0.955 RESID 174 (K): -2.658 ----- 0.724 -0.808 -0.810 0.454 RESID 175 (Q): 1.765 ----- 2.085 0.281 -3.144 -0.104 RESID 176 (P): ----- ----- 1.732 0.685 -0.914 ----- RESID 177 (V): -5.286 ----- -1.769 -3.009 -0.271 -0.174 RESID 178 (G): 4.167 ----- 0.133 -2.034 ----- -0.670 RESID 179 (K): 1.747 ----- -0.514 -0.097 -1.040 -0.426 RESID 180 (D): 0.014 ----- -1.971 -1.974 -1.624 0.594 RESID 181 (Y): 5.542 ----- -1.186 0.143 -0.497 0.323 RESID 182 (K): -1.954 ----- 0.592 -2.103 2.293 0.640 RESID 183 (F): -3.251 ----- 2.667 -1.134 -4.630 0.313 RESID 184 (G): 4.679 ----- -1.563 1.990 ----- 0.298 RESID 185 (G): 2.220 ----- -1.740 -0.906 ----- -0.541 RESID 186 (P): ----- ----- -0.719 -2.497 0.840 ----- RESID 187 (S): -6.020 ----- -0.271 0.585 -2.595 0.086 RESID 188 (V): 1.013 ----- 0.171 0.084 -1.506 1.118 RESID 189 (K): 3.148 ----- 2.556 -1.408 -0.412 -0.119 RESID 190 (D): -1.916 ----- -1.621 2.060 2.145 0.573 RESID 191 (E): 2.473 ----- -0.316 0.789 -1.120 0.382 RESID 192 (K): -1.039 ----- 0.358 -0.729 -0.484 -0.868 RESID 193 (L): 0.461 ----- -0.040 -1.127 0.259 1.197 RESID 194 (F): 3.239 ----- 2.406 -2.729 -2.715 0.742 RESID 195 (G): -1.981 ----- -0.360 -0.805 ----- -0.158 RESID 196 (V): -11.623 ----- -0.520 -3.244 -1.493 -0.269 RESID 197 (G): 2.896 ----- 0.284 -2.061 ----- 0.536 RESID 198 (T): -4.179 ----- -0.336 -0.229 -0.199 -0.173 RESID 199 (G): -4.243 ----- -0.438 -1.797 ----- 0.078 RESID 200 (M): 1.945 ----- 0.113 0.498 -2.220 -0.216 RESID 201 (G): 1.721 ----- -0.753 0.205 ----- 0.345 RESID 202 (L): -0.352 ----- 0.018 0.882 0.150 0.102 RESID 203 (R): 1.477 ----- 2.486 1.661 -1.637 2.146 RESID 204 (K): -1.271 ----- 0.553 -0.104 -0.309 0.559 RESID 205 (E): -3.267 ----- -0.199 -0.979 -1.123 0.804 RESID 206 (D): 5.126 ----- 0.819 0.089 -1.163 -0.825 RESID 207 (N): -0.366 ----- -0.094 0.490 -0.070 -0.860 RESID 208 (E): 1.497 ----- 1.423 0.891 -1.812 0.446 RESID 209 (L): 2.480 ----- -1.106 -0.160 -1.186 0.499 RESID 210 (R): 0.333 ----- -0.817 0.239 0.086 -0.745 RESID 211 (E): -3.048 ----- 1.265 -0.115 -0.996 0.534 RESID 212 (A): 0.841 ----- 1.647 0.100 -0.970 0.502 RESID 213 (L): 1.623 ----- -1.212 -0.470 0.243 0.320 RESID 214 (N): 2.721 ----- 1.855 -0.616 -0.795 0.121 RESID 215 (K): 2.475 ----- -0.115 -0.311 -0.735 -0.368 RESID 216 (A): 0.513 ----- 0.003 -0.744 0.445 -0.244 RESID 217 (F): -0.610 ----- 0.249 1.121 -1.055 0.629 RESID 218 (A): 0.122 ----- 2.426 -0.384 -1.332 -0.177 RESID 219 (E): 0.982 ----- -0.398 -0.256 -1.159 0.139 RESID 220 (M): 2.779 ----- 0.458 -2.027 0.176 0.064 RESID 221 (R): 0.842 ----- 0.424 -0.214 -2.365 0.255 RESID 222 (A): 0.415 ----- 0.359 -0.453 -0.514 0.118 RESID 223 (D): 0.394 ----- 0.649 -0.118 -0.921 0.126 RESID 224 (G): -2.061 ----- -0.002 -1.199 ----- -0.185 RESID 225 (T): 5.241 ----- 0.436 -0.280 -1.908 0.302 RESID 226 (Y): -0.163 ----- -0.903 0.268 0.140 0.416 RESID 227 (E): -0.463 ----- -0.489 -0.511 -0.307 -0.430 RESID 228 (K): -1.366 ----- 0.401 -0.257 -0.916 -0.799 RESID 229 (L): -0.240 ----- 0.444 -0.759 -0.212 -0.081 RESID 230 (A): -0.875 ----- 1.266 -0.556 -0.133 0.634 RESID 231 (K): -0.880 ----- -0.546 -1.462 -1.063 -0.070 RESID 232 (K): 0.685 ----- -2.561 -0.933 -1.637 -0.528 RESID 233 (Y): -3.164 ----- -0.670 -3.181 0.337 -1.265 RESID 234 (F): 2.969 ----- 2.342 -1.800 -1.562 -0.147 RESID 235 (D): 1.885 ----- -0.332 -0.600 0.487 0.308 RESID 236 (F): -5.219 ----- -0.118 -2.685 0.114 -0.638 RESID 237 (D): -2.219 ----- -1.317 0.326 -2.571 0.218 RESID 238 (V): 7.468 ----- -1.478 -3.269 0.580 -0.970 RESID 239 (Y): 4.412 ----- -1.978 0.820 0.294 0.393 RESID 240 (G): -0.426 ----- -0.282 0.613 ----- -0.978 DATA CS_STAT_INFO N RMS: 2.913 ppm Count: 226 Average Difference: -0.173 +/- 2.915 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.289 ppm Count: 236 Average Difference: -0.114 +/- 1.286 ppm DATA CS_STAT_INFO CA RMS: 1.334 ppm Count: 236 Average Difference: 0.525 +/- 1.228 ppm DATA CS_STAT_INFO CB RMS: 2.466 ppm Count: 215 Average Difference: 0.525 +/- 2.416 ppm DATA CS_STAT_INFO HN RMS: 0.587 ppm Count: 226 Average Difference: -0.111 +/- 0.578 ppm ############################################################################ For conformer 29: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.251 0.049 RESID 5 (I): C 174.300 174.300 174.340 -0.040 RESID 5 (I): CA 57.710 57.710 59.778 -2.068 RESID 5 (I): CB 37.260 37.260 37.774 -0.514 RESID 5 (I): H 7.868 7.868 8.232 -0.364 RESID 6 (P): C 176.100 176.100 176.816 -0.716 RESID 6 (P): CA 62.180 62.180 62.801 -0.621 RESID 6 (P): CB 31.620 31.620 32.347 -0.727 RESID 7 (Q): N 119.200 119.200 119.576 -0.376 RESID 7 (Q): C 175.600 175.600 176.030 -0.430 RESID 7 (Q): CA 57.190 57.190 57.823 -0.633 RESID 7 (Q): CB 28.500 28.500 29.138 -0.638 RESID 7 (Q): H 8.380 8.380 8.685 -0.305 RESID 8 (N): N 116.300 116.300 114.305 1.995 RESID 8 (N): C 173.600 173.600 173.854 -0.254 RESID 8 (N): CA 51.720 51.720 52.371 -0.651 RESID 8 (N): CB 40.540 40.540 41.940 -1.400 RESID 8 (N): H 7.472 7.472 7.811 -0.339 RESID 9 (I): N 121.000 121.000 122.696 -1.696 RESID 9 (I): C 174.700 174.700 174.918 -0.218 RESID 9 (I): CA 59.480 59.480 60.088 -0.608 RESID 9 (I): CB 39.740 39.740 40.253 -0.513 RESID 9 (I): H 8.416 8.416 9.148 -0.732 RESID 10 (R): N 126.500 126.500 127.116 -0.616 RESID 10 (R): C 175.800 175.800 175.469 0.331 RESID 10 (R): CA 53.950 53.950 55.382 -1.432 RESID 10 (R): CB 30.670 30.670 31.296 -0.626 RESID 10 (R): H 9.098 9.098 8.463 0.635 RESID 11 (I): N 127.500 127.500 124.942 2.558 RESID 11 (I): C 175.600 175.600 175.112 0.488 RESID 11 (I): CA 59.480 59.480 59.427 0.053 RESID 11 (I): CB 37.460 37.460 41.605 -4.145 RESID 11 (I): H 9.279 9.279 9.089 0.190 RESID 12 (G): N 114.800 114.800 114.316 0.484 RESID 12 (G): C 171.700 171.700 173.313 -1.613 RESID 12 (G): CA 44.540 44.540 44.374 0.166 RESID 12 (G): H 9.382 9.382 8.521 0.861 RESID 13 (T): N 120.600 120.600 121.928 -1.328 RESID 13 (T): C 181.600 181.600 173.053 8.547 RESID 13 (T): CA 61.470 61.470 61.785 -0.315 RESID 13 (T): CB 69.970 69.970 71.514 -1.544 RESID 13 (T): H 8.594 8.594 7.967 0.627 RESID 14 (D): N 127.000 127.000 127.867 -0.867 RESID 14 (D): C 177.500 177.500 174.668 2.832 RESID 14 (D): CA 49.760 49.760 50.358 -0.598 RESID 14 (D): CB 40.580 40.580 42.246 -1.666 RESID 14 (D): H 8.200 8.200 8.696 -0.496 RESID 15 (P): C 175.400 175.400 176.401 -1.001 RESID 15 (P): CA 61.920 61.920 63.354 -1.434 RESID 15 (P): CB 27.890 27.890 32.394 -4.504 RESID 16 (T): N 116.200 116.200 110.788 5.412 RESID 16 (T): C 174.000 174.000 173.280 0.720 RESID 16 (T): CA 59.560 59.560 62.050 -2.490 RESID 16 (T): CB 68.650 68.650 69.865 -1.215 RESID 16 (T): H 8.739 8.739 8.297 0.442 RESID 17 (Y): N 125.800 125.800 121.822 3.978 RESID 17 (Y): C 175.200 175.200 175.648 -0.448 RESID 17 (Y): CA 54.180 54.180 56.149 -1.969 RESID 17 (Y): CB 38.700 38.700 38.533 0.167 RESID 17 (Y): H 8.943 8.943 8.079 0.864 RESID 18 (A): N 132.100 132.100 129.651 2.449 RESID 18 (A): C 176.000 176.000 176.464 -0.464 RESID 18 (A): CA 51.490 51.490 56.054 -4.564 RESID 18 (A): CB 16.070 16.070 16.243 -0.173 RESID 18 (A): H 8.945 8.945 8.918 0.027 RESID 19 (P): C 173.500 173.500 177.818 -4.318 RESID 19 (P): CA 62.890 62.890 65.243 -2.353 RESID 19 (P): CB 31.790 31.790 31.599 0.191 RESID 20 (F): N 125.100 125.100 117.355 7.745 RESID 20 (F): C 176.700 176.700 175.086 1.614 RESID 20 (F): CA 62.420 62.420 59.682 2.738 RESID 20 (F): CB 37.980 37.980 41.057 -3.078 RESID 20 (F): H 8.117 8.117 8.253 -0.136 RESID 21 (E): N 111.800 111.800 114.560 -2.760 RESID 21 (E): C 173.600 173.600 174.437 -0.837 RESID 21 (E): CA 54.400 54.400 55.196 -0.796 RESID 21 (E): CB 28.770 28.770 34.165 -5.395 RESID 21 (E): H 7.701 7.701 8.458 -0.757 RESID 22 (S): N 117.200 117.200 113.081 4.119 RESID 22 (S): C 171.500 171.500 172.280 -0.780 RESID 22 (S): CA 57.290 57.290 58.587 -1.296 RESID 22 (S): CB 62.940 62.940 64.116 -1.176 RESID 22 (S): H 8.750 8.750 8.299 0.451 RESID 23 (K): N 117.400 117.400 119.400 -2.000 RESID 23 (K): C 177.600 177.600 175.054 2.546 RESID 23 (K): CA 53.700 53.700 55.339 -1.639 RESID 23 (K): CB 33.330 33.330 35.192 -1.862 RESID 23 (K): H 8.238 8.238 8.239 -0.001 RESID 24 (N): N 122.400 122.400 120.857 1.543 RESID 24 (N): C 178.000 178.000 177.023 0.977 RESID 24 (N): CA 50.600 50.600 51.853 -1.253 RESID 24 (N): CB 38.140 38.140 40.131 -1.991 RESID 24 (N): H 8.584 8.584 8.575 0.009 RESID 25 (S): C 175.400 175.400 175.440 -0.040 RESID 25 (S): CA 60.970 60.970 60.896 0.074 RESID 25 (S): CB 62.410 62.410 62.514 -0.104 RESID 26 (Q): N 119.300 119.300 119.486 -0.186 RESID 26 (Q): C 176.200 176.200 176.812 -0.612 RESID 26 (Q): CA 55.180 55.180 55.661 -0.481 RESID 26 (Q): CB 28.260 28.260 28.701 -0.441 RESID 26 (Q): H 7.520 7.520 8.396 -0.876 RESID 27 (G): N 108.800 108.800 107.657 1.143 RESID 27 (G): C 173.700 173.700 174.069 -0.369 RESID 27 (G): CA 45.050 45.050 45.086 -0.036 RESID 27 (G): H 8.169 8.169 7.844 0.325 RESID 28 (E): N 121.200 121.200 120.661 0.539 RESID 28 (E): C 175.800 175.800 175.666 0.134 RESID 28 (E): CA 54.490 54.490 55.932 -1.442 RESID 28 (E): CB 29.750 29.750 30.605 -0.855 RESID 28 (E): H 7.836 7.836 8.055 -0.219 RESID 29 (L): N 123.500 123.500 121.146 2.354 RESID 29 (L): C 176.400 176.400 175.331 1.069 RESID 29 (L): CA 54.310 54.310 53.817 0.493 RESID 29 (L): CB 41.180 41.180 42.852 -1.672 RESID 29 (L): H 8.281 8.281 8.248 0.033 RESID 30 (V): N 118.200 118.200 122.121 -3.921 RESID 30 (V): C 175.300 175.300 173.574 1.726 RESID 30 (V): CA 58.360 58.360 59.932 -1.572 RESID 30 (V): CB 36.080 36.080 35.967 0.113 RESID 30 (V): H 8.900 8.900 7.689 1.211 RESID 31 (G): N 109.800 109.800 110.481 -0.681 RESID 31 (G): C 174.400 174.400 173.483 0.917 RESID 31 (G): CA 43.830 43.830 45.223 -1.393 RESID 31 (G): H 8.611 8.611 7.493 1.118 RESID 32 (F): N 119.900 119.900 122.550 -2.650 RESID 32 (F): C 177.900 177.900 175.853 2.047 RESID 32 (F): CA 59.800 59.800 60.654 -0.854 RESID 32 (F): CB 38.950 38.950 39.267 -0.317 RESID 32 (F): H 8.295 8.295 8.124 0.171 RESID 33 (D): N 116.500 116.500 119.103 -2.603 RESID 33 (D): C 179.100 179.100 178.044 1.056 RESID 33 (D): CA 56.180 56.180 56.571 -0.391 RESID 33 (D): CB 38.610 38.610 40.275 -1.665 RESID 33 (D): H 8.935 8.935 7.328 1.607 RESID 34 (I): N 118.800 118.800 119.742 -0.942 RESID 34 (I): C 178.000 178.000 177.749 0.251 RESID 34 (I): CA 60.950 60.950 64.739 -3.789 RESID 34 (I): CB 33.620 33.620 37.841 -4.221 RESID 34 (I): H 6.535 6.535 7.727 -1.192 RESID 35 (D): N 121.000 121.000 120.360 0.640 RESID 35 (D): C 180.300 180.300 178.679 1.621 RESID 35 (D): CA 57.100 57.100 57.410 -0.310 RESID 35 (D): CB 40.420 40.420 40.292 0.128 RESID 35 (D): H 8.536 8.536 7.817 0.719 RESID 36 (L): N 120.500 120.500 120.851 -0.351 RESID 36 (L): C 178.500 178.500 177.992 0.508 RESID 36 (L): CA 57.720 57.720 57.766 -0.046 RESID 36 (L): CB 42.230 42.230 41.588 0.642 RESID 36 (L): H 8.508 8.508 7.225 1.283 RESID 37 (A): N 120.200 120.200 121.631 -1.431 RESID 37 (A): C 178.600 178.600 179.580 -0.980 RESID 37 (A): CA 55.170 55.170 55.229 -0.059 RESID 37 (A): CB 17.340 17.340 18.459 -1.119 RESID 37 (A): H 8.383 8.383 7.661 0.722 RESID 38 (K): N 116.400 116.400 119.369 -2.969 RESID 38 (K): C 180.100 180.100 179.118 0.982 RESID 38 (K): CA 60.530 60.530 60.019 0.511 RESID 38 (K): CB 31.840 31.840 32.389 -0.549 RESID 38 (K): H 8.780 8.780 8.162 0.618 RESID 39 (E): N 121.500 121.500 119.465 2.035 RESID 39 (E): C 178.300 178.300 179.375 -1.075 RESID 39 (E): CA 58.430 58.430 59.321 -0.890 RESID 39 (E): CB 27.990 27.990 29.497 -1.508 RESID 39 (E): H 7.692 7.692 7.772 -0.080 RESID 40 (L): N 121.500 121.500 120.377 1.123 RESID 40 (L): C 178.700 178.700 178.796 -0.096 RESID 40 (L): CA 58.490 58.490 58.252 0.238 RESID 40 (L): CB 40.250 40.250 41.779 -1.528 RESID 40 (L): H 8.563 8.563 7.823 0.740 RESID 41 (C): N 115.700 115.700 118.464 -2.764 RESID 41 (C): C 175.800 175.800 177.461 -1.661 RESID 41 (C): CA 62.390 62.390 62.757 -0.367 RESID 41 (C): CB 46.860 46.860 25.465 21.395 RESID 41 (C): H 8.598 8.598 8.567 0.031 RESID 42 (K): N 119.300 119.300 119.618 -0.318 RESID 42 (K): C 180.800 180.800 179.126 1.674 RESID 42 (K): CA 58.810 58.810 59.447 -0.637 RESID 42 (K): CB 31.430 31.430 32.356 -0.926 RESID 42 (K): H 7.490 7.490 8.024 -0.534 RESID 43 (R): N 119.500 119.500 117.946 1.554 RESID 43 (R): C 178.700 178.700 178.668 0.032 RESID 43 (R): CA 58.760 58.760 58.458 0.302 RESID 43 (R): CB 29.980 29.980 30.212 -0.232 RESID 43 (R): H 8.057 8.057 7.612 0.445 RESID 44 (I): N 111.800 111.800 117.524 -5.724 RESID 44 (I): C 175.000 175.000 175.828 -0.828 RESID 44 (I): CA 60.940 60.940 63.056 -2.116 RESID 44 (I): CB 36.630 36.630 38.200 -1.570 RESID 44 (I): H 7.765 7.765 8.409 -0.644 RESID 45 (N): N 118.800 118.800 115.744 3.056 RESID 45 (N): C 173.600 173.600 173.944 -0.344 RESID 45 (N): CA 53.670 53.670 54.624 -0.955 RESID 45 (N): CB 36.620 36.620 35.915 0.705 RESID 45 (N): H 7.752 7.752 8.050 -0.298 RESID 46 (T): N 112.800 112.800 105.754 7.046 RESID 46 (T): C 173.100 173.100 172.828 0.272 RESID 46 (T): CA 60.020 60.020 60.278 -0.258 RESID 46 (T): CB 70.500 70.500 71.861 -1.361 RESID 46 (T): H 7.920 7.920 7.917 0.003 RESID 47 (Q): N 123.500 123.500 119.988 3.512 RESID 47 (Q): C 175.400 175.400 174.570 0.830 RESID 47 (Q): CA 54.550 54.550 55.090 -0.540 RESID 47 (Q): CB 28.670 28.670 30.497 -1.827 RESID 47 (Q): H 8.037 8.037 8.359 -0.322 RESID 48 (C): N 123.800 123.800 124.386 -0.586 RESID 48 (C): C 173.800 173.800 174.392 -0.592 RESID 48 (C): CA 53.170 53.170 57.895 -4.726 RESID 48 (C): CB 47.290 47.290 29.401 17.889 RESID 48 (C): H 8.881 8.881 8.683 0.198 RESID 49 (T): N 118.600 118.600 120.489 -1.889 RESID 49 (T): C 172.700 172.700 172.558 0.142 RESID 49 (T): CA 60.210 60.210 61.256 -1.046 RESID 49 (T): CB 70.980 70.980 71.079 -0.099 RESID 49 (T): H 8.324 8.324 8.807 -0.483 RESID 50 (F): N 123.800 123.800 125.934 -2.134 RESID 50 (F): C 175.800 175.800 175.945 -0.145 RESID 50 (F): CA 57.370 57.370 57.386 -0.016 RESID 50 (F): CB 40.730 40.730 40.268 0.462 RESID 50 (F): H 8.982 8.982 8.631 0.351 RESID 51 (V): N 126.300 126.300 123.769 2.531 RESID 51 (V): C 174.700 174.700 174.724 -0.024 RESID 51 (V): CA 60.650 60.650 60.681 -0.031 RESID 51 (V): CB 33.700 33.700 35.367 -1.667 RESID 51 (V): H 9.271 9.271 9.073 0.198 RESID 52 (E): N 126.900 126.900 129.018 -2.118 RESID 52 (E): C 176.900 176.900 175.242 1.658 RESID 52 (E): CA 54.480 54.480 57.255 -2.776 RESID 52 (E): CB 29.350 29.350 30.406 -1.056 RESID 52 (E): H 8.617 8.617 8.771 -0.154 RESID 53 (N): N 127.100 127.100 120.709 6.391 RESID 53 (N): C 170.600 170.600 172.411 -1.811 RESID 53 (N): CA 51.220 51.220 51.467 -0.247 RESID 53 (N): CB 43.980 43.980 38.309 5.671 RESID 53 (N): H 8.917 8.917 8.235 0.682 RESID 54 (P): C 178.600 178.600 178.784 -0.184 RESID 54 (P): CA 61.650 61.650 62.351 -0.701 RESID 54 (P): CB 31.460 31.460 32.902 -1.442 RESID 55 (L): N 124.200 124.200 124.258 -0.058 RESID 55 (L): C 179.600 179.600 178.715 0.885 RESID 55 (L): CA 58.130 58.130 59.234 -1.104 RESID 55 (L): CB 41.470 41.470 41.383 0.087 RESID 55 (L): H 9.096 9.096 8.794 0.302 RESID 56 (D): N 115.400 115.400 118.995 -3.595 RESID 56 (D): C 176.500 176.500 177.325 -0.825 RESID 56 (D): CA 56.080 56.080 56.859 -0.779 RESID 56 (D): CB 39.640 39.640 40.184 -0.544 RESID 56 (D): H 8.651 8.651 8.532 0.119 RESID 57 (A): N 120.400 120.400 119.909 0.491 RESID 57 (A): C 180.000 180.000 178.969 1.031 RESID 57 (A): CA 51.440 51.440 53.604 -2.164 RESID 57 (A): CB 19.170 19.170 19.652 -0.482 RESID 57 (A): H 8.079 8.079 8.331 -0.252 RESID 58 (L): N 122.300 122.300 121.199 1.101 RESID 58 (L): C 177.800 177.800 178.759 -0.959 RESID 58 (L): CA 58.960 58.960 58.119 0.841 RESID 58 (L): CB 40.150 40.150 41.916 -1.766 RESID 58 (L): H 7.783 7.783 8.148 -0.365 RESID 59 (I): N 119.600 119.600 119.494 0.106 RESID 59 (I): C 176.400 176.400 175.149 1.251 RESID 59 (I): CA 68.170 68.170 66.514 1.656 RESID 59 (I): CB 33.980 33.980 34.689 -0.709 RESID 59 (I): H 9.094 9.094 7.712 1.382 RESID 60 (P): C 180.100 180.100 179.223 0.877 RESID 60 (P): CA 65.890 65.890 66.520 -0.630 RESID 60 (P): CB 29.980 29.980 31.263 -1.283 RESID 61 (S): N 114.800 114.800 114.883 -0.083 RESID 61 (S): C 175.500 175.500 176.694 -1.194 RESID 61 (S): CA 62.170 62.170 61.845 0.325 RESID 61 (S): H 7.865 7.865 8.204 -0.339 RESID 62 (L): N 126.200 126.200 123.051 3.149 RESID 62 (L): C 181.000 181.000 178.984 2.016 RESID 62 (L): CA 57.400 57.400 57.717 -0.317 RESID 62 (L): CB 41.820 41.820 41.770 0.049 RESID 62 (L): H 8.296 8.296 8.144 0.152 RESID 63 (K): N 121.000 121.000 119.053 1.947 RESID 63 (K): C 178.000 178.000 177.912 0.088 RESID 63 (K): CA 59.500 59.500 59.167 0.333 RESID 63 (K): CB 30.770 30.770 32.476 -1.706 RESID 63 (K): H 8.461 8.461 7.750 0.711 RESID 64 (A): N 118.700 118.700 118.680 0.020 RESID 64 (A): C 176.200 176.200 176.670 -0.470 RESID 64 (A): CA 51.680 51.680 51.987 -0.307 RESID 64 (A): CB 18.140 18.140 18.593 -0.453 RESID 64 (A): H 7.686 7.686 7.972 -0.286 RESID 65 (K): N 112.200 112.200 114.006 -1.806 RESID 65 (K): C 176.000 176.000 176.470 -0.470 RESID 65 (K): CA 57.800 57.800 57.982 -0.182 RESID 65 (K): CB 27.730 27.730 29.909 -2.179 RESID 65 (K): H 7.751 7.751 7.680 0.071 RESID 66 (K): N 118.300 118.300 115.411 2.889 RESID 66 (K): C 176.600 176.600 177.124 -0.524 RESID 66 (K): CA 57.200 57.200 58.452 -1.252 RESID 66 (K): CB 32.170 32.170 33.012 -0.842 RESID 66 (K): H 8.415 8.415 7.785 0.630 RESID 67 (I): N 107.500 107.500 112.520 -5.020 RESID 67 (I): C 174.000 174.000 175.396 -1.396 RESID 67 (I): CA 59.050 59.050 59.046 0.004 RESID 67 (I): CB 40.470 40.470 41.039 -0.569 RESID 67 (I): H 7.034 7.034 7.243 -0.209 RESID 68 (D): N 119.000 119.000 121.994 -2.994 RESID 68 (D): C 172.200 172.200 175.765 -3.565 RESID 68 (D): CA 55.560 55.560 55.373 0.187 RESID 68 (D): CB 44.210 44.210 42.611 1.599 RESID 68 (D): H 9.739 9.739 8.549 1.190 RESID 69 (A): N 117.400 117.400 118.134 -0.734 RESID 69 (A): C 175.900 175.900 174.849 1.051 RESID 69 (A): CA 50.120 50.120 51.163 -1.043 RESID 69 (A): CB 21.960 21.960 22.139 -0.179 RESID 69 (A): H 7.660 7.660 7.646 0.014 RESID 70 (I): N 120.500 120.500 120.797 -0.297 RESID 70 (I): C 174.500 174.500 174.412 0.088 RESID 70 (I): CA 60.060 60.060 60.658 -0.598 RESID 70 (I): CB 41.190 41.190 41.009 0.181 RESID 70 (I): H 9.402 9.402 8.046 1.356 RESID 71 (M): N 128.300 128.300 129.336 -1.036 RESID 71 (M): C 172.500 172.500 173.857 -1.357 RESID 71 (M): CA 53.040 53.040 54.938 -1.898 RESID 71 (M): CB 33.940 33.940 34.540 -0.600 RESID 71 (M): H 8.431 8.431 8.243 0.188 RESID 72 (S): N 122.700 122.700 121.270 1.430 RESID 72 (S): C 172.800 172.800 173.557 -0.757 RESID 72 (S): CA 57.630 57.630 56.987 0.643 RESID 72 (S): CB 64.590 64.590 65.169 -0.579 RESID 72 (S): H 8.717 8.717 8.604 0.113 RESID 73 (S): N 120.600 120.600 115.093 5.507 RESID 73 (S): C 174.900 174.900 174.886 0.014 RESID 73 (S): CA 58.590 58.590 59.509 -0.919 RESID 73 (S): CB 62.920 62.920 62.751 0.169 RESID 73 (S): H 8.570 8.570 8.617 -0.047 RESID 74 (L): N 120.700 120.700 123.731 -3.031 RESID 74 (L): C 175.300 175.300 176.088 -0.788 RESID 74 (L): CA 54.320 54.320 55.552 -1.232 RESID 74 (L): CB 42.350 42.350 42.800 -0.450 RESID 74 (L): H 8.678 8.678 7.484 1.194 RESID 75 (S): N 122.000 122.000 119.814 2.186 RESID 75 (S): C 174.500 174.500 173.675 0.825 RESID 75 (S): CA 59.250 59.250 56.849 2.401 RESID 75 (S): CB 63.060 63.060 64.773 -1.713 RESID 75 (S): H 8.142 8.142 7.867 0.275 RESID 76 (I): N 125.200 125.200 115.675 9.525 RESID 76 (I): C 175.500 175.500 174.539 0.961 RESID 76 (I): CA 61.340 61.340 59.611 1.730 RESID 76 (I): CB 35.790 35.790 39.648 -3.858 RESID 76 (I): H 8.307 8.307 8.231 0.076 RESID 77 (T): N 116.600 116.600 113.541 3.059 RESID 77 (T): C 174.800 174.800 175.070 -0.270 RESID 77 (T): CA 57.760 57.760 59.980 -2.220 RESID 77 (T): CB 71.570 71.570 72.304 -0.734 RESID 77 (T): H 6.513 6.513 7.527 -1.014 RESID 78 (E): N 124.500 124.500 124.951 -0.451 RESID 78 (E): C 179.500 179.500 177.895 1.605 RESID 78 (E): CA 59.140 59.140 60.855 -1.716 RESID 78 (E): CB 28.630 28.630 29.273 -0.643 RESID 78 (E): H 8.935 8.935 8.911 0.024 RESID 79 (K): N 118.400 118.400 118.320 0.080 RESID 79 (K): C 180.600 180.600 179.042 1.558 RESID 79 (K): CA 58.890 58.890 59.185 -0.295 RESID 79 (K): CB 31.610 31.610 32.300 -0.690 RESID 79 (K): H 8.415 8.415 8.364 0.051 RESID 80 (R): N 118.500 118.500 118.839 -0.339 RESID 80 (R): C 179.100 179.100 178.952 0.148 RESID 80 (R): CA 59.580 59.580 59.209 0.372 RESID 80 (R): CB 30.380 30.380 30.073 0.307 RESID 80 (R): H 7.678 7.678 7.403 0.275 RESID 81 (Q): N 119.000 119.000 119.819 -0.819 RESID 81 (Q): C 176.600 176.600 178.851 -2.251 RESID 81 (Q): CA 57.510 57.510 59.184 -1.674 RESID 81 (Q): CB 28.880 28.880 28.539 0.341 RESID 81 (Q): H 8.418 8.418 8.342 0.076 RESID 82 (Q): N 115.300 115.300 117.868 -2.568 RESID 82 (Q): C 177.400 177.400 177.871 -0.471 RESID 82 (Q): CA 57.280 57.280 58.478 -1.198 RESID 82 (Q): CB 27.950 27.950 28.452 -0.502 RESID 82 (Q): H 7.297 7.297 7.991 -0.694 RESID 83 (E): N 115.600 115.600 117.735 -2.135 RESID 83 (E): C 176.400 176.400 177.295 -0.895 RESID 83 (E): CA 56.950 56.950 58.363 -1.413 RESID 83 (E): CB 33.090 33.090 31.210 1.880 RESID 83 (E): H 7.627 7.627 7.924 -0.297 RESID 84 (I): N 115.100 115.100 111.880 3.220 RESID 84 (I): C 172.600 172.600 173.940 -1.340 RESID 84 (I): CA 59.380 59.380 58.897 0.483 RESID 84 (I): CB 40.830 40.830 41.529 -0.699 RESID 84 (I): H 8.275 8.275 7.973 0.302 RESID 85 (A): N 120.600 120.600 120.388 0.212 RESID 85 (A): C 175.000 175.000 175.273 -0.273 RESID 85 (A): CA 49.150 49.150 50.276 -1.126 RESID 85 (A): CB 22.280 22.280 21.423 0.857 RESID 85 (A): H 8.679 8.679 8.420 0.259 RESID 86 (F): N 115.500 115.500 119.139 -3.639 RESID 86 (F): C 178.800 178.800 175.815 2.985 RESID 86 (F): CA 55.850 55.850 56.926 -1.076 RESID 86 (F): CB 44.300 44.300 44.039 0.261 RESID 86 (F): H 8.283 8.283 8.622 -0.339 RESID 87 (T): N 108.200 108.200 114.971 -6.771 RESID 87 (T): C 174.700 174.700 173.802 0.898 RESID 87 (T): CA 61.930 61.930 61.147 0.783 RESID 87 (T): CB 72.740 72.740 70.094 2.646 RESID 87 (T): H 7.898 7.898 8.391 -0.493 RESID 88 (D): N 118.400 118.400 120.421 -2.021 RESID 88 (D): C 174.300 174.300 175.631 -1.331 RESID 88 (D): CA 55.030 55.030 55.788 -0.758 RESID 88 (D): CB 40.870 40.870 39.824 1.046 RESID 88 (D): H 8.789 8.789 8.806 -0.017 RESID 89 (K): N 118.100 118.100 116.612 1.488 RESID 89 (K): C 176.200 176.200 176.717 -0.517 RESID 89 (K): CA 55.570 55.570 57.278 -1.708 RESID 89 (K): CB 31.850 31.850 31.522 0.328 RESID 89 (K): H 7.666 7.666 7.696 -0.030 RESID 90 (L): N 123.400 123.400 126.355 -2.955 RESID 90 (L): C 178.000 178.000 177.743 0.257 RESID 90 (L): CA 54.450 54.450 57.328 -2.877 RESID 90 (L): CB 41.710 41.710 43.307 -1.597 RESID 90 (L): H 8.778 8.778 8.775 0.003 RESID 91 (Y): N 110.500 110.500 110.021 0.479 RESID 91 (Y): C 172.600 172.600 173.675 -1.075 RESID 91 (Y): CA 56.070 56.070 55.558 0.512 RESID 91 (Y): CB 37.670 37.670 40.569 -2.899 RESID 91 (Y): H 6.810 6.810 7.194 -0.384 RESID 92 (A): N 123.100 123.100 122.543 0.557 RESID 92 (A): C 175.600 175.600 176.763 -1.163 RESID 92 (A): CA 51.940 51.940 51.090 0.850 RESID 92 (A): CB 20.320 20.320 19.613 0.706 RESID 92 (A): H 8.135 8.135 9.100 -0.965 RESID 93 (A): N 127.000 127.000 127.734 -0.734 RESID 93 (A): C 175.700 175.700 176.681 -0.981 RESID 93 (A): CA 51.020 51.020 50.699 0.321 RESID 93 (A): CB 18.310 18.310 18.343 -0.033 RESID 93 (A): H 8.658 8.658 8.395 0.263 RESID 94 (D): N 122.900 122.900 121.788 1.112 RESID 94 (D): C 175.300 175.300 176.137 -0.837 RESID 94 (D): CA 53.910 53.910 55.144 -1.234 RESID 94 (D): CB 42.030 42.030 42.280 -0.250 RESID 94 (D): H 8.497 8.497 7.745 0.752 RESID 95 (S): N 110.300 110.300 112.187 -1.887 RESID 95 (S): C 171.600 171.600 173.074 -1.474 RESID 95 (S): CA 57.850 57.850 57.376 0.474 RESID 95 (S): CB 66.410 66.410 66.512 -0.102 RESID 95 (S): H 6.844 6.844 7.877 -1.033 RESID 96 (R): N 124.300 124.300 119.755 4.545 RESID 96 (R): C 173.700 173.700 173.856 -0.156 RESID 96 (R): CA 57.450 57.450 55.907 1.543 RESID 96 (R): CB 34.070 34.070 34.340 -0.270 RESID 96 (R): H 9.227 9.227 8.832 0.395 RESID 97 (L): N 124.100 124.100 125.149 -1.049 RESID 97 (L): C 177.600 177.600 175.921 1.679 RESID 97 (L): CA 54.150 54.150 53.791 0.359 RESID 97 (L): CB 42.640 42.640 44.403 -1.763 RESID 97 (L): H 9.343 9.343 8.057 1.286 RESID 98 (V): N 124.500 124.500 123.552 0.948 RESID 98 (V): C 175.700 175.700 174.956 0.744 RESID 98 (V): CA 61.770 61.770 60.886 0.884 RESID 98 (V): CB 32.950 32.950 32.546 0.404 RESID 98 (V): H 9.500 9.500 8.022 1.478 RESID 99 (V): N 116.800 116.800 122.104 -5.304 RESID 99 (V): C 174.600 174.600 173.937 0.663 RESID 99 (V): CA 58.190 58.190 59.047 -0.857 RESID 99 (V): CB 36.780 36.780 35.903 0.877 RESID 99 (V): H 9.192 9.192 8.093 1.099 RESID 100 (A): N 123.400 123.400 122.394 1.006 RESID 100 (A): C 179.200 179.200 178.536 0.664 RESID 100 (A): CA 52.690 52.690 50.544 2.146 RESID 100 (A): CB 18.160 18.160 19.925 -1.766 RESID 100 (A): H 9.043 9.043 8.351 0.692 RESID 101 (K): N 119.600 119.600 123.650 -4.050 RESID 101 (K): C 176.800 176.800 177.006 -0.206 RESID 101 (K): CA 59.360 59.360 58.989 0.371 RESID 101 (K): CB 31.380 31.380 31.872 -0.492 RESID 101 (K): H 7.840 7.840 8.920 -1.080 RESID 102 (N): N 114.400 114.400 115.564 -1.164 RESID 102 (N): C 175.500 175.500 175.250 0.250 RESID 102 (N): CA 52.330 52.330 54.633 -2.303 RESID 102 (N): CB 36.990 36.990 38.610 -1.620 RESID 102 (N): H 7.941 7.941 8.168 -0.227 RESID 103 (S): N 114.800 114.800 114.656 0.144 RESID 103 (S): C 176.000 176.000 173.264 2.736 RESID 103 (S): CA 58.180 58.180 57.488 0.692 RESID 103 (S): CB 64.310 64.310 63.923 0.387 RESID 103 (S): H 7.700 7.700 7.630 0.070 RESID 104 (D): N 128.500 128.500 129.285 -0.785 RESID 104 (D): C 176.700 176.700 174.994 1.706 RESID 104 (D): CA 52.990 52.990 53.964 -0.974 RESID 104 (D): CB 40.330 40.330 40.926 -0.596 RESID 104 (D): H 8.548 8.548 8.547 0.001 RESID 105 (I): N 122.800 122.800 124.036 -1.236 RESID 105 (I): C 173.800 173.800 174.504 -0.704 RESID 105 (I): CA 63.580 63.580 60.389 3.191 RESID 105 (I): CB 37.490 37.490 40.447 -2.957 RESID 105 (I): H 7.826 7.826 8.161 -0.335 RESID 106 (Q): N 124.600 124.600 125.198 -0.598 RESID 106 (Q): C 174.700 174.700 174.016 0.684 RESID 106 (Q): CA 51.380 51.380 52.034 -0.654 RESID 106 (Q): CB 31.050 31.050 29.043 2.007 RESID 106 (Q): H 8.174 8.174 8.371 -0.197 RESID 107 (P): C 175.300 175.300 175.779 -0.479 RESID 107 (P): CA 61.880 61.880 63.673 -1.793 RESID 107 (P): CB 26.860 26.860 30.763 -3.903 RESID 108 (T): N 114.600 114.600 117.672 -3.072 RESID 108 (T): C 174.000 174.000 174.384 -0.384 RESID 108 (T): CA 57.690 57.690 61.586 -3.896 RESID 108 (T): CB 71.020 71.020 72.092 -1.072 RESID 108 (T): H 8.531 8.531 7.731 0.800 RESID 109 (V): N 121.800 121.800 123.565 -1.765 RESID 109 (V): C 177.300 177.300 176.933 0.367 RESID 109 (V): CA 65.600 65.600 64.760 0.840 RESID 109 (V): CB 30.580 30.580 32.773 -2.193 RESID 109 (V): H 8.775 8.775 8.489 0.286 RESID 110 (E): N 116.900 116.900 120.835 -3.935 RESID 110 (E): C 178.400 178.400 178.651 -0.251 RESID 110 (E): CA 59.260 59.260 60.146 -0.886 RESID 110 (E): CB 28.170 28.170 29.046 -0.876 RESID 110 (E): H 8.414 8.414 8.386 0.028 RESID 111 (S): N 113.200 113.200 113.434 -0.234 RESID 111 (S): C 176.500 176.500 175.917 0.583 RESID 111 (S): CA 59.370 59.370 60.984 -1.614 RESID 111 (S): CB 63.730 63.730 62.511 1.219 RESID 111 (S): H 7.387 7.387 8.440 -1.053 RESID 112 (L): N 116.100 116.100 120.393 -4.293 RESID 112 (L): C 176.700 176.700 176.696 0.004 RESID 112 (L): CA 54.580 54.580 55.373 -0.793 RESID 112 (L): CB 42.650 42.650 42.562 0.088 RESID 112 (L): H 7.676 7.676 7.325 0.351 RESID 113 (K): N 121.000 121.000 119.213 1.787 RESID 113 (K): C 178.200 178.200 177.502 0.698 RESID 113 (K): CA 58.850 58.850 58.234 0.616 RESID 113 (K): CB 30.850 30.850 32.250 -1.400 RESID 113 (K): H 7.445 7.445 7.744 -0.299 RESID 114 (G): N 113.900 113.900 112.923 0.977 RESID 114 (G): C 174.200 174.200 174.792 -0.592 RESID 114 (G): CA 45.240 45.240 45.369 -0.129 RESID 114 (G): H 8.454 8.454 8.356 0.098 RESID 115 (K): N 120.600 120.600 121.664 -1.064 RESID 115 (K): C 174.800 174.800 176.106 -1.306 RESID 115 (K): CA 53.710 53.710 54.722 -1.012 RESID 115 (K): CB 31.990 31.990 33.309 -1.319 RESID 115 (K): H 8.530 8.530 7.877 0.653 RESID 116 (R): N 119.300 119.300 120.760 -1.460 RESID 116 (R): C 176.000 176.000 175.424 0.576 RESID 116 (R): CA 54.720 54.720 55.725 -1.005 RESID 116 (R): CB 32.310 32.310 31.826 0.484 RESID 116 (R): H 9.455 9.455 8.462 0.993 RESID 117 (V): N 126.100 126.100 123.213 2.887 RESID 117 (V): C 175.300 175.300 174.945 0.355 RESID 117 (V): CA 60.090 60.090 60.214 -0.124 RESID 117 (V): CB 33.620 33.620 35.570 -1.950 RESID 117 (V): H 9.217 9.217 8.633 0.584 RESID 118 (G): N 114.000 114.000 113.644 0.356 RESID 118 (G): C 172.300 172.300 172.534 -0.234 RESID 118 (G): CA 45.010 45.010 43.629 1.381 RESID 118 (G): H 9.367 9.367 8.078 1.289 RESID 119 (V): N 116.400 116.400 122.371 -5.971 RESID 119 (V): C 174.100 174.100 174.024 0.076 RESID 119 (V): CA 58.270 58.270 60.456 -2.186 RESID 119 (V): CB 36.370 36.370 36.998 -0.628 RESID 119 (V): H 9.166 9.166 9.304 -0.138 RESID 120 (L): N 124.400 124.400 124.148 0.252 RESID 120 (L): C 176.900 176.900 175.664 1.236 RESID 120 (L): CA 53.690 53.690 53.955 -0.265 RESID 120 (L): CB 41.240 41.240 42.663 -1.423 RESID 120 (L): H 8.961 8.961 8.824 0.137 RESID 121 (Q): N 128.000 128.000 127.175 0.825 RESID 121 (Q): C 176.900 176.900 177.243 -0.343 RESID 121 (Q): CA 56.680 56.680 57.090 -0.410 RESID 121 (Q): CB 27.920 27.920 29.529 -1.609 RESID 121 (Q): H 9.305 9.305 8.989 0.316 RESID 122 (G): N 113.600 113.600 113.587 0.013 RESID 122 (G): C 175.100 175.100 173.556 1.544 RESID 122 (G): CA 45.240 45.240 45.471 -0.231 RESID 122 (G): H 9.383 9.383 8.754 0.629 RESID 123 (T): N 108.400 108.400 110.105 -1.705 RESID 123 (T): C 176.800 176.800 174.406 2.394 RESID 123 (T): CA 60.260 60.260 60.010 0.251 RESID 123 (T): CB 73.530 73.530 70.635 2.895 RESID 123 (T): H 7.220 7.220 7.737 -0.517 RESID 124 (T): N 113.900 113.900 112.532 1.368 RESID 124 (T): C 178.100 178.100 176.524 1.576 RESID 124 (T): CA 63.990 63.990 64.672 -0.682 RESID 124 (T): CB 67.740 67.740 68.705 -0.965 RESID 124 (T): H 8.934 8.934 8.659 0.275 RESID 125 (Q): N 120.600 120.600 122.424 -1.824 RESID 125 (Q): C 178.300 178.300 178.086 0.214 RESID 125 (Q): CA 61.670 61.670 59.764 1.906 RESID 125 (Q): CB 25.310 25.310 28.045 -2.735 RESID 125 (Q): H 7.521 7.521 8.270 -0.749 RESID 126 (E): N 121.900 121.900 119.753 2.147 RESID 126 (E): C 177.600 177.600 178.892 -1.292 RESID 126 (E): CA 59.630 59.630 59.837 -0.207 RESID 126 (E): CB 28.730 28.730 29.637 -0.907 RESID 126 (E): H 7.717 7.717 7.810 -0.093 RESID 127 (T): N 117.800 117.800 116.199 1.601 RESID 127 (T): C 176.200 176.200 176.377 -0.177 RESID 127 (T): CA 66.340 66.340 66.794 -0.454 RESID 127 (T): CB 67.590 67.590 68.717 -1.127 RESID 127 (T): H 8.175 8.175 7.615 0.560 RESID 128 (F): N 121.900 121.900 121.971 -0.071 RESID 128 (F): C 178.000 178.000 177.536 0.464 RESID 128 (F): CA 61.590 61.590 60.735 0.855 RESID 128 (F): CB 38.810 38.810 38.927 -0.117 RESID 128 (F): H 8.882 8.882 8.604 0.278 RESID 129 (G): N 107.000 107.000 107.120 -0.120 RESID 129 (G): C 176.100 176.100 176.483 -0.383 RESID 129 (G): CA 46.690 46.690 47.204 -0.514 RESID 129 (G): H 8.900 8.900 9.168 -0.268 RESID 130 (N): N 123.000 123.000 118.457 4.543 RESID 130 (N): C 176.200 176.200 175.836 0.364 RESID 130 (N): CA 55.400 55.400 55.345 0.055 RESID 130 (N): CB 37.570 37.570 38.196 -0.626 RESID 130 (N): H 8.915 8.915 8.573 0.342 RESID 131 (E): N 119.000 119.000 116.703 2.297 RESID 131 (E): C 177.900 177.900 177.092 0.808 RESID 131 (E): CA 57.940 57.940 56.700 1.240 RESID 131 (E): CB 29.350 29.350 30.764 -1.414 RESID 131 (E): H 7.907 7.907 7.480 0.427 RESID 132 (H): N 112.600 112.600 118.652 -6.052 RESID 132 (H): C 175.900 175.900 175.553 0.347 RESID 132 (H): CA 56.910 56.910 58.810 -1.900 RESID 132 (H): CB 30.510 30.510 29.811 0.699 RESID 132 (H): H 7.877 7.877 7.871 0.006 RESID 133 (W): N 119.300 119.300 117.442 1.858 RESID 133 (W): C 176.800 176.800 176.199 0.601 RESID 133 (W): CA 55.570 55.570 56.548 -0.979 RESID 133 (W): CB 30.400 30.400 29.720 0.680 RESID 133 (W): H 7.653 7.653 7.498 0.155 RESID 134 (A): N 125.400 125.400 124.647 0.753 RESID 134 (A): C 177.700 177.700 177.221 0.479 RESID 134 (A): CA 55.410 55.410 54.630 0.780 RESID 134 (A): CB 15.990 15.990 16.805 -0.815 RESID 134 (A): H 8.711 8.711 7.532 1.179 RESID 135 (P): C 177.200 177.200 177.431 -0.231 RESID 135 (P): CA 64.510 64.510 64.193 0.317 RESID 135 (P): CB 30.800 30.800 30.979 -0.179 RESID 136 (K): N 115.800 115.800 116.278 -0.478 RESID 136 (K): C 176.500 176.500 177.623 -1.123 RESID 136 (K): CA 53.530 53.530 55.920 -2.390 RESID 136 (K): CB 31.430 31.430 32.051 -0.621 RESID 136 (K): H 7.665 7.665 8.146 -0.480 RESID 137 (G): N 106.100 106.100 108.360 -2.260 RESID 137 (G): C 174.300 174.300 173.523 0.777 RESID 137 (G): CA 45.740 45.740 45.371 0.369 RESID 137 (G): H 7.864 7.864 7.665 0.199 RESID 138 (I): N 124.400 124.400 119.359 5.041 RESID 138 (I): C 174.400 174.400 174.780 -0.380 RESID 138 (I): CA 60.460 60.460 60.099 0.361 RESID 138 (I): CB 38.080 38.080 39.864 -1.784 RESID 138 (I): H 6.889 6.889 7.477 -0.588 RESID 139 (E): N 128.400 128.400 127.199 1.201 RESID 139 (E): C 173.900 173.900 175.097 -1.197 RESID 139 (E): CA 56.050 56.050 55.583 0.467 RESID 139 (E): CB 29.490 29.490 31.236 -1.746 RESID 139 (E): H 8.230 8.230 8.332 -0.102 RESID 140 (I): N 129.500 129.500 121.679 7.821 RESID 140 (I): C 176.100 176.100 174.760 1.340 RESID 140 (I): CA 57.100 57.100 59.024 -1.924 RESID 140 (I): CB 34.440 34.440 40.574 -6.134 RESID 140 (I): H 8.642 8.642 8.359 0.283 RESID 141 (V): N 133.000 133.000 125.258 7.742 RESID 141 (V): C 174.400 174.400 174.496 -0.096 RESID 141 (V): CA 61.060 61.060 61.152 -0.092 RESID 141 (V): CB 32.410 32.410 36.175 -3.765 RESID 141 (V): H 9.387 9.387 8.986 0.401 RESID 142 (S): N 122.900 122.900 120.122 2.778 RESID 142 (S): C 175.000 175.000 173.526 1.474 RESID 142 (S): CA 57.710 57.710 57.396 0.314 RESID 142 (S): CB 63.710 63.710 63.764 -0.054 RESID 142 (S): H 8.490 8.490 8.394 0.096 RESID 143 (Y): N 123.400 123.400 126.089 -2.689 RESID 143 (Y): C 175.900 175.900 176.384 -0.484 RESID 143 (Y): CA 57.300 57.300 57.714 -0.414 RESID 143 (Y): CB 42.300 42.300 41.319 0.981 RESID 143 (Y): H 8.979 8.979 9.275 -0.296 RESID 144 (Q): N 119.500 119.500 120.083 -0.583 RESID 144 (Q): C 176.000 176.000 174.907 1.093 RESID 144 (Q): CA 56.490 56.490 55.910 0.580 RESID 144 (Q): CB 28.470 28.470 29.858 -1.388 RESID 144 (Q): H 8.974 8.974 8.744 0.230 RESID 145 (G): N 106.800 106.800 107.330 -0.530 RESID 145 (G): C 173.500 173.500 174.159 -0.659 RESID 145 (G): CA 44.300 44.300 44.325 -0.025 RESID 145 (G): H 7.531 7.531 7.860 -0.329 RESID 146 (Q): N 124.300 124.300 122.879 1.421 RESID 146 (Q): C 177.200 177.200 177.348 -0.148 RESID 146 (Q): CA 57.800 57.800 58.799 -0.999 RESID 146 (Q): CB 28.190 28.190 28.628 -0.438 RESID 146 (Q): H 8.949 8.949 8.860 0.089 RESID 147 (D): N 117.900 117.900 118.435 -0.535 RESID 147 (D): C 178.900 178.900 178.482 0.418 RESID 147 (D): CA 56.650 56.650 56.876 -0.226 RESID 147 (D): CB 38.890 38.890 39.738 -0.848 RESID 147 (D): H 8.746 8.746 8.785 -0.039 RESID 148 (N): N 117.500 117.500 117.702 -0.202 RESID 148 (N): C 176.700 176.700 177.263 -0.563 RESID 148 (N): CA 55.160 55.160 55.592 -0.432 RESID 148 (N): CB 38.700 38.700 38.095 0.605 RESID 148 (N): H 7.496 7.496 8.555 -1.059 RESID 149 (I): N 120.000 120.000 119.785 0.215 RESID 149 (I): C 177.400 177.400 177.535 -0.135 RESID 149 (I): CA 64.450 64.450 65.061 -0.611 RESID 149 (I): CB 35.900 35.900 37.581 -1.681 RESID 149 (I): H 6.793 6.793 7.087 -0.294 RESID 150 (Y): N 117.400 117.400 118.220 -0.820 RESID 150 (Y): C 178.800 178.800 178.054 0.746 RESID 150 (Y): CA 59.730 59.730 61.675 -1.945 RESID 150 (Y): CB 35.970 35.970 37.633 -1.663 RESID 150 (Y): H 6.897 6.897 7.388 -0.491 RESID 151 (S): N 117.000 117.000 114.893 2.107 RESID 151 (S): C 177.000 177.000 177.005 -0.005 RESID 151 (S): CA 61.300 61.300 61.678 -0.378 RESID 151 (S): CB 62.100 62.100 62.229 -0.129 RESID 151 (S): H 8.186 8.186 8.235 -0.049 RESID 152 (D): N 122.300 122.300 123.198 -0.898 RESID 152 (D): C 179.000 179.000 178.340 0.660 RESID 152 (D): CA 56.580 56.580 56.871 -0.291 RESID 152 (D): CB 38.240 38.240 40.379 -2.139 RESID 152 (D): H 7.541 7.541 7.708 -0.167 RESID 153 (L): N 124.100 124.100 121.149 2.951 RESID 153 (L): C 180.300 180.300 178.546 1.754 RESID 153 (L): CA 58.160 58.160 57.542 0.618 RESID 153 (L): CB 41.630 41.630 41.818 -0.188 RESID 153 (L): H 8.372 8.372 7.849 0.523 RESID 154 (T): N 111.900 111.900 113.344 -1.444 RESID 154 (T): C 176.700 176.700 175.352 1.348 RESID 154 (T): CA 63.920 63.920 65.402 -1.482 RESID 154 (T): CB 68.700 68.700 69.017 -0.317 RESID 154 (T): H 8.389 8.389 8.314 0.075 RESID 155 (A): N 121.800 121.800 120.123 1.677 RESID 155 (A): C 178.200 178.200 178.041 0.159 RESID 155 (A): CA 51.640 51.640 52.321 -0.681 RESID 155 (A): CB 18.990 18.990 19.477 -0.486 RESID 155 (A): H 7.444 7.444 7.079 0.365 RESID 156 (G): N 107.800 107.800 107.127 0.673 RESID 156 (G): C 175.100 175.100 175.353 -0.253 RESID 156 (G): CA 45.420 45.420 45.175 0.245 RESID 156 (G): H 7.921 7.921 8.011 -0.090 RESID 157 (R): N 119.000 119.000 119.193 -0.193 RESID 157 (R): C 176.600 176.600 175.725 0.875 RESID 157 (R): CA 57.260 57.260 57.595 -0.335 RESID 157 (R): CB 30.400 30.400 30.760 -0.360 RESID 157 (R): H 8.443 8.443 8.134 0.309 RESID 158 (I): N 108.900 108.900 112.805 -3.905 RESID 158 (I): C 173.700 173.700 174.280 -0.580 RESID 158 (I): CA 59.900 59.900 59.209 0.691 RESID 158 (I): CB 40.070 40.070 41.088 -1.018 RESID 158 (I): H 7.109 7.109 7.120 -0.011 RESID 159 (D): N 119.100 119.100 123.834 -4.734 RESID 159 (D): C 174.700 174.700 175.658 -0.958 RESID 159 (D): CA 55.900 55.900 56.291 -0.391 RESID 159 (D): CB 43.630 43.630 41.712 1.918 RESID 159 (D): H 8.737 8.737 8.564 0.173 RESID 160 (A): N 116.400 116.400 116.433 -0.033 RESID 160 (A): C 174.900 174.900 174.316 0.584 RESID 160 (A): CA 50.190 50.190 51.489 -1.299 RESID 160 (A): CB 23.030 23.030 21.337 1.693 RESID 160 (A): H 7.702 7.702 7.165 0.537 RESID 161 (A): N 123.400 123.400 121.816 1.584 RESID 161 (A): C 175.500 175.500 175.686 -0.186 RESID 161 (A): CA 49.730 49.730 50.284 -0.554 RESID 161 (A): CB 21.110 21.110 21.596 -0.486 RESID 161 (A): H 8.915 8.915 7.996 0.919 RESID 162 (F): N 125.100 125.100 122.594 2.506 RESID 162 (F): C 172.900 172.900 174.999 -2.099 RESID 162 (F): CA 54.500 54.500 58.240 -3.740 RESID 162 (F): CB 39.400 39.400 38.798 0.602 RESID 162 (F): H 8.971 8.971 8.431 0.540 RESID 163 (Q): N 124.600 124.600 123.363 1.237 RESID 163 (Q): C 173.400 173.400 173.700 -0.300 RESID 163 (Q): CA 53.550 53.550 53.634 -0.084 RESID 163 (Q): CB 34.390 34.390 33.150 1.240 RESID 163 (Q): H 7.904 7.904 8.317 -0.413 RESID 164 (D): N 122.300 122.300 121.239 1.061 RESID 164 (D): C 175.800 175.800 177.248 -1.448 RESID 164 (D): CA 55.540 55.540 54.467 1.073 RESID 164 (D): CB 42.370 42.370 42.052 0.318 RESID 164 (D): H 8.304 8.304 8.441 -0.137 RESID 165 (E): N 128.600 128.600 122.856 5.744 RESID 165 (E): C 177.700 177.700 178.116 -0.416 RESID 165 (E): CA 60.230 60.230 60.130 0.100 RESID 165 (E): CB 30.020 30.020 29.825 0.195 RESID 165 (E): H 8.605 8.605 8.764 -0.159 RESID 166 (V): N 120.100 120.100 118.854 1.246 RESID 166 (V): C 178.300 178.300 177.282 1.018 RESID 166 (V): CA 66.800 66.800 66.692 0.108 RESID 166 (V): CB 30.070 30.070 30.259 -0.189 RESID 166 (V): H 8.748 8.748 8.194 0.554 RESID 167 (A): N 123.200 123.200 120.068 3.132 RESID 167 (A): C 182.500 182.500 179.090 3.410 RESID 167 (A): CA 54.980 54.980 54.719 0.261 RESID 167 (A): CB 17.910 17.910 18.035 -0.125 RESID 167 (A): H 8.655 8.655 7.904 0.751 RESID 168 (A): N 121.300 121.300 122.170 -0.870 RESID 168 (A): C 179.800 179.800 179.736 0.064 RESID 168 (A): CA 54.180 54.180 54.547 -0.367 RESID 168 (A): CB 18.750 18.750 18.424 0.326 RESID 168 (A): H 8.349 8.349 7.888 0.461 RESID 169 (S): N 113.400 113.400 114.312 -0.912 RESID 169 (S): C 175.700 175.700 176.250 -0.550 RESID 169 (S): CA 61.050 61.050 62.818 -1.768 RESID 169 (S): CB 63.050 63.050 62.560 0.490 RESID 169 (S): H 8.058 8.058 8.154 -0.096 RESID 170 (E): N 115.600 115.600 120.460 -4.860 RESID 170 (E): C 178.800 178.800 177.451 1.349 RESID 170 (E): CA 57.610 57.610 58.108 -0.498 RESID 170 (E): CB 29.790 29.790 29.048 0.742 RESID 170 (E): H 8.824 8.824 7.849 0.975 RESID 171 (G): N 103.400 103.400 104.913 -1.513 RESID 171 (G): C 173.700 173.700 175.017 -1.317 RESID 171 (G): CA 44.970 44.970 45.271 -0.301 RESID 171 (G): H 8.154 8.154 7.354 0.800 RESID 172 (F): N 120.100 120.100 122.515 -2.415 RESID 172 (F): C 175.200 175.200 177.684 -2.484 RESID 172 (F): CA 60.690 60.690 61.153 -0.463 RESID 172 (F): CB 40.740 40.740 39.086 1.654 RESID 172 (F): H 7.297 7.297 8.352 -1.055 RESID 173 (L): N 117.800 117.800 117.727 0.073 RESID 173 (L): C 179.000 179.000 178.293 0.707 RESID 173 (L): CA 57.670 57.670 56.866 0.804 RESID 173 (L): CB 40.020 40.020 41.829 -1.809 RESID 173 (L): H 8.470 8.470 7.521 0.949 RESID 174 (K): N 114.600 114.600 116.445 -1.845 RESID 174 (K): C 176.900 176.900 176.347 0.553 RESID 174 (K): CA 56.450 56.450 57.281 -0.830 RESID 174 (K): CB 31.770 31.770 32.657 -0.887 RESID 174 (K): H 8.018 8.018 7.546 0.472 RESID 175 (Q): N 118.800 118.800 117.071 1.729 RESID 175 (Q): C 176.000 176.000 173.942 2.058 RESID 175 (Q): CA 52.510 52.510 52.203 0.307 RESID 175 (Q): CB 26.740 26.740 29.771 -3.031 RESID 175 (Q): H 7.151 7.151 7.284 -0.133 RESID 176 (P): C 179.300 179.300 177.584 1.716 RESID 176 (P): CA 66.100 66.100 65.414 0.686 RESID 176 (P): CB 30.720 30.720 31.638 -0.918 RESID 177 (V): N 112.300 112.300 117.554 -5.254 RESID 177 (V): C 175.900 175.900 177.676 -1.776 RESID 177 (V): CA 62.860 62.860 65.859 -2.999 RESID 177 (V): CB 30.660 30.660 30.948 -0.288 RESID 177 (V): H 7.480 7.480 7.664 -0.184 RESID 178 (G): N 109.700 109.700 105.551 4.149 RESID 178 (G): C 175.000 175.000 174.869 0.131 RESID 178 (G): CA 44.080 44.080 46.158 -2.078 RESID 178 (G): H 7.173 7.173 7.850 -0.677 RESID 179 (K): N 120.900 120.900 119.074 1.826 RESID 179 (K): C 177.100 177.100 177.666 -0.566 RESID 179 (K): CA 58.360 58.360 58.448 -0.088 RESID 179 (K): CB 31.260 31.260 32.281 -1.021 RESID 179 (K): H 6.972 6.972 7.425 -0.453 RESID 180 (D): N 117.200 117.200 117.326 -0.126 RESID 180 (D): C 173.900 173.900 175.864 -1.964 RESID 180 (D): CA 53.920 53.920 55.864 -1.944 RESID 180 (D): CB 39.690 39.690 41.391 -1.701 RESID 180 (D): H 8.036 8.036 7.449 0.587 RESID 181 (Y): N 120.500 120.500 114.949 5.551 RESID 181 (Y): C 172.300 172.300 173.476 -1.176 RESID 181 (Y): CA 57.890 57.890 57.749 0.140 RESID 181 (Y): CB 41.860 41.860 42.348 -0.488 RESID 181 (Y): H 7.768 7.768 7.452 0.316 RESID 182 (K): N 116.900 116.900 118.724 -1.824 RESID 182 (K): C 174.900 174.900 174.267 0.633 RESID 182 (K): CA 54.330 54.330 56.458 -2.128 RESID 182 (K): CB 35.610 35.610 33.367 2.244 RESID 182 (K): H 9.497 9.497 8.837 0.660 RESID 183 (F): N 117.900 117.900 121.107 -3.207 RESID 183 (F): C 177.800 177.800 175.151 2.649 RESID 183 (F): CA 56.780 56.780 57.894 -1.114 RESID 183 (F): CB 38.320 38.320 42.935 -4.615 RESID 183 (F): H 8.470 8.470 8.133 0.337 RESID 184 (G): N 113.700 113.700 109.004 4.696 RESID 184 (G): C 173.300 173.300 174.878 -1.578 RESID 184 (G): CA 46.900 46.900 44.925 1.974 RESID 184 (G): H 9.107 9.107 8.816 0.291 RESID 185 (G): N 111.000 111.000 108.786 2.214 RESID 185 (G): C 171.100 171.100 172.852 -1.752 RESID 185 (G): CA 44.530 44.530 45.456 -0.926 RESID 185 (G): H 7.702 7.702 8.253 -0.551 RESID 186 (P): C 175.500 175.500 176.201 -0.701 RESID 186 (P): CA 61.920 61.920 64.450 -2.530 RESID 186 (P): CB 32.640 32.640 31.846 0.794 RESID 187 (S): N 113.500 113.500 119.368 -5.868 RESID 187 (S): C 173.500 173.500 173.881 -0.381 RESID 187 (S): CA 57.930 57.930 57.258 0.672 RESID 187 (S): CB 63.260 63.260 65.823 -2.563 RESID 187 (S): H 8.452 8.452 8.337 0.115 RESID 188 (V): N 123.300 123.300 121.742 1.558 RESID 188 (V): C 173.900 173.900 173.487 0.413 RESID 188 (V): CA 61.800 61.800 62.095 -0.295 RESID 188 (V): CB 32.680 32.680 33.421 -0.741 RESID 188 (V): H 9.080 9.080 7.887 1.193 RESID 189 (K): N 125.200 125.200 121.978 3.222 RESID 189 (K): C 176.700 176.700 173.929 2.771 RESID 189 (K): CA 54.680 54.680 56.151 -1.471 RESID 189 (K): CB 33.780 33.780 34.816 -1.036 RESID 189 (K): H 8.123 8.123 8.200 -0.077 RESID 190 (D): N 120.300 120.300 122.102 -1.802 RESID 190 (D): C 175.300 175.300 176.891 -1.591 RESID 190 (D): CA 55.610 55.610 53.436 2.174 RESID 190 (D): CB 42.620 42.620 40.439 2.181 RESID 190 (D): H 8.823 8.823 8.279 0.544 RESID 191 (E): N 129.100 129.100 126.603 2.497 RESID 191 (E): C 177.300 177.300 177.582 -0.282 RESID 191 (E): CA 59.310 59.310 58.460 0.850 RESID 191 (E): CB 28.420 28.420 29.534 -1.114 RESID 191 (E): H 9.239 9.239 8.854 0.385 RESID 192 (K): N 118.000 118.000 119.297 -1.297 RESID 192 (K): C 178.200 178.200 178.053 0.147 RESID 192 (K): CA 58.140 58.140 58.923 -0.783 RESID 192 (K): CB 31.690 31.690 32.148 -0.458 RESID 192 (K): H 7.918 7.918 8.785 -0.867 RESID 193 (L): N 118.200 118.200 117.999 0.201 RESID 193 (L): C 177.700 177.700 177.729 -0.029 RESID 193 (L): CA 55.790 55.790 56.978 -1.188 RESID 193 (L): CB 42.330 42.330 42.063 0.267 RESID 193 (L): H 8.362 8.362 7.145 1.217 RESID 194 (F): N 116.800 116.800 113.466 3.334 RESID 194 (F): C 178.200 178.200 175.851 2.349 RESID 194 (F): CA 54.620 54.620 57.381 -2.761 RESID 194 (F): CB 37.390 37.390 39.905 -2.515 RESID 194 (F): H 8.036 8.036 7.298 0.738 RESID 195 (G): N 106.900 106.900 108.830 -1.930 RESID 195 (G): C 174.200 174.200 174.554 -0.354 RESID 195 (G): CA 44.120 44.120 44.887 -0.767 RESID 195 (G): H 7.510 7.510 7.652 -0.142 RESID 196 (V): N 112.400 112.400 123.815 -11.415 RESID 196 (V): C 175.300 175.300 175.818 -0.518 RESID 196 (V): CA 60.720 60.720 63.991 -3.271 RESID 196 (V): CB 30.630 30.630 32.150 -1.520 RESID 196 (V): H 8.064 8.064 8.334 -0.270 RESID 197 (G): N 108.100 108.100 105.155 2.945 RESID 197 (G): C 172.300 172.300 172.008 0.292 RESID 197 (G): CA 43.210 43.210 45.255 -2.045 RESID 197 (G): H 7.788 7.788 7.251 0.537 RESID 198 (T): N 109.200 109.200 113.323 -4.123 RESID 198 (T): C 172.800 172.800 173.144 -0.344 RESID 198 (T): CA 59.090 59.090 59.340 -0.250 RESID 198 (T): CB 71.080 71.080 71.315 -0.235 RESID 198 (T): H 7.796 7.796 7.937 -0.141 RESID 199 (G): N 103.900 103.900 108.199 -4.299 RESID 199 (G): C 171.800 171.800 172.274 -0.474 RESID 199 (G): CA 43.840 43.840 45.639 -1.799 RESID 199 (G): H 7.928 7.928 7.860 0.068 RESID 200 (M): N 121.400 121.400 119.428 1.972 RESID 200 (M): C 176.200 176.200 176.035 0.165 RESID 200 (M): CA 55.260 55.260 54.843 0.417 RESID 200 (M): CB 33.390 33.390 35.592 -2.202 RESID 200 (M): H 7.971 7.971 8.221 -0.250 RESID 201 (G): N 112.200 112.200 110.364 1.836 RESID 201 (G): C 172.000 172.000 172.653 -0.653 RESID 201 (G): CA 44.540 44.540 44.285 0.255 RESID 201 (G): H 8.818 8.818 8.437 0.381 RESID 202 (L): N 124.700 124.700 124.864 -0.164 RESID 202 (L): C 176.000 176.000 175.922 0.078 RESID 202 (L): CA 53.740 53.740 52.829 0.911 RESID 202 (L): CB 46.010 46.010 46.050 -0.040 RESID 202 (L): H 8.767 8.767 8.668 0.099 RESID 203 (R): N 121.600 121.600 120.047 1.553 RESID 203 (R): C 180.400 180.400 177.909 2.491 RESID 203 (R): CA 57.130 57.130 55.431 1.699 RESID 203 (R): CB 29.650 29.650 31.299 -1.649 RESID 203 (R): H 10.270 10.270 8.130 2.140 RESID 204 (K): N 123.200 123.200 124.416 -1.216 RESID 204 (K): C 178.200 178.200 177.668 0.532 RESID 204 (K): CA 59.570 59.570 59.682 -0.112 RESID 204 (K): CB 31.840 31.840 32.149 -0.309 RESID 204 (K): H 9.231 9.231 8.672 0.559 RESID 205 (E): N 113.800 113.800 117.099 -3.299 RESID 205 (E): C 177.700 177.700 177.883 -0.183 RESID 205 (E): CA 57.230 57.230 58.227 -0.997 RESID 205 (E): CB 27.770 27.770 28.898 -1.128 RESID 205 (E): H 9.026 9.026 8.229 0.797 RESID 206 (D): N 126.000 126.000 120.853 5.147 RESID 206 (D): C 177.300 177.300 176.506 0.794 RESID 206 (D): CA 53.710 53.710 53.653 0.057 RESID 206 (D): CB 37.530 37.530 38.696 -1.165 RESID 206 (D): H 7.253 7.253 8.044 -0.791 RESID 207 (N): N 120.100 120.100 120.465 -0.365 RESID 207 (N): C 176.900 176.900 177.004 -0.104 RESID 207 (N): CA 56.950 56.950 56.440 0.510 RESID 207 (N): CB 38.820 38.820 38.896 -0.076 RESID 207 (N): H 7.839 7.839 8.724 -0.885 RESID 208 (E): N 120.500 120.500 118.975 1.525 RESID 208 (E): C 179.900 179.900 178.468 1.432 RESID 208 (E): CA 59.870 59.870 58.976 0.894 RESID 208 (E): CB 27.630 27.630 29.446 -1.816 RESID 208 (E): H 8.776 8.776 8.332 0.444 RESID 209 (L): N 122.900 122.900 120.445 2.455 RESID 209 (L): C 177.100 177.100 178.212 -1.112 RESID 209 (L): CA 57.400 57.400 57.549 -0.149 RESID 209 (L): CB 40.660 40.660 41.835 -1.175 RESID 209 (L): H 8.366 8.366 7.861 0.505 RESID 210 (R): N 119.100 119.100 118.757 0.343 RESID 210 (R): C 177.400 177.400 178.224 -0.824 RESID 210 (R): CA 59.970 59.970 59.737 0.233 RESID 210 (R): CB 30.110 30.110 30.024 0.086 RESID 210 (R): H 7.582 7.582 8.323 -0.741 RESID 211 (E): N 116.200 116.200 119.245 -3.045 RESID 211 (E): C 179.800 179.800 178.534 1.266 RESID 211 (E): CA 59.150 59.150 59.260 -0.109 RESID 211 (E): CB 28.600 28.600 29.598 -0.998 RESID 211 (E): H 8.407 8.407 7.875 0.532 RESID 212 (A): N 123.500 123.500 122.679 0.821 RESID 212 (A): C 181.300 181.300 179.646 1.654 RESID 212 (A): CA 54.810 54.810 54.702 0.108 RESID 212 (A): CB 17.170 17.170 18.141 -0.971 RESID 212 (A): H 8.128 8.128 7.633 0.495 RESID 213 (L): N 121.200 121.200 119.622 1.578 RESID 213 (L): C 178.400 178.400 179.618 -1.218 RESID 213 (L): CA 57.710 57.710 58.201 -0.491 RESID 213 (L): CB 41.450 41.450 41.213 0.237 RESID 213 (L): H 8.364 8.364 8.049 0.315 RESID 214 (N): N 119.200 119.200 116.459 2.741 RESID 214 (N): C 179.700 179.700 177.857 1.843 RESID 214 (N): CA 55.260 55.260 55.879 -0.619 RESID 214 (N): CB 37.120 37.120 37.921 -0.801 RESID 214 (N): H 8.435 8.435 8.330 0.105 RESID 215 (K): N 123.800 123.800 121.325 2.475 RESID 215 (K): C 178.400 178.400 178.516 -0.116 RESID 215 (K): CA 59.090 59.090 59.396 -0.306 RESID 215 (K): CB 31.740 31.740 32.481 -0.741 RESID 215 (K): H 8.080 8.080 8.450 -0.370 RESID 216 (A): N 122.200 122.200 121.743 0.457 RESID 216 (A): C 179.500 179.500 179.509 -0.009 RESID 216 (A): CA 54.140 54.140 54.890 -0.750 RESID 216 (A): CB 18.700 18.700 18.268 0.432 RESID 216 (A): H 7.935 7.935 8.236 -0.301 RESID 217 (F): N 119.500 119.500 120.117 -0.617 RESID 217 (F): C 177.200 177.200 176.981 0.219 RESID 217 (F): CA 61.390 61.390 60.285 1.105 RESID 217 (F): CB 38.000 38.000 39.068 -1.068 RESID 217 (F): H 8.916 8.916 8.317 0.599 RESID 218 (A): N 121.300 121.300 121.214 0.086 RESID 218 (A): C 182.100 182.100 179.675 2.425 RESID 218 (A): CA 54.810 54.810 55.201 -0.391 RESID 218 (A): CB 16.650 16.650 17.992 -1.342 RESID 218 (A): H 7.956 7.956 8.139 -0.183 RESID 219 (E): N 120.000 120.000 119.028 0.972 RESID 219 (E): C 178.600 178.600 179.007 -0.407 RESID 219 (E): CA 59.040 59.040 59.309 -0.269 RESID 219 (E): CB 28.320 28.320 29.483 -1.163 RESID 219 (E): H 7.952 7.952 7.840 0.112 RESID 220 (M): N 120.900 120.900 118.116 2.784 RESID 220 (M): C 179.000 179.000 178.535 0.465 RESID 220 (M): CA 57.430 57.430 59.470 -2.040 RESID 220 (M): CB 32.620 32.620 32.457 0.163 RESID 220 (M): H 8.190 8.190 8.132 0.058 RESID 221 (R): N 119.200 119.200 118.375 0.825 RESID 221 (R): C 179.300 179.300 178.889 0.411 RESID 221 (R): CA 58.710 58.710 58.927 -0.217 RESID 221 (R): CB 27.480 27.480 29.854 -2.374 RESID 221 (R): H 7.762 7.762 7.512 0.250 RESID 222 (A): N 122.500 122.500 122.097 0.403 RESID 222 (A): C 179.300 179.300 178.926 0.374 RESID 222 (A): CA 54.180 54.180 54.627 -0.447 RESID 222 (A): CB 18.030 18.030 18.548 -0.518 RESID 222 (A): H 7.838 7.838 7.741 0.097 RESID 223 (D): N 115.100 115.100 114.676 0.424 RESID 223 (D): C 177.900 177.900 177.260 0.640 RESID 223 (D): CA 53.020 53.020 53.129 -0.109 RESID 223 (D): CB 39.570 39.570 40.446 -0.875 RESID 223 (D): H 8.091 8.091 7.977 0.114 RESID 224 (G): N 106.700 106.700 108.835 -2.135 RESID 224 (G): C 176.000 176.000 176.008 -0.008 RESID 224 (G): CA 45.070 45.070 46.307 -1.237 RESID 224 (G): H 7.199 7.199 7.425 -0.226 RESID 225 (T): N 122.400 122.400 117.154 5.246 RESID 225 (T): C 175.700 175.700 175.326 0.374 RESID 225 (T): CA 67.610 67.610 67.879 -0.269 RESID 225 (T): CB 66.840 66.840 68.759 -1.919 RESID 225 (T): H 9.095 9.095 8.767 0.328 RESID 226 (Y): N 121.500 121.500 121.698 -0.198 RESID 226 (Y): C 176.000 176.000 176.905 -0.905 RESID 226 (Y): CA 62.530 62.530 62.376 0.154 RESID 226 (Y): CB 38.410 38.410 38.335 0.075 RESID 226 (Y): H 8.040 8.040 7.639 0.401 RESID 227 (E): N 118.200 118.200 118.711 -0.511 RESID 227 (E): C 178.200 178.200 178.696 -0.496 RESID 227 (E): CA 58.940 58.940 59.483 -0.543 RESID 227 (E): CB 28.810 28.810 29.120 -0.310 RESID 227 (E): H 8.153 8.153 8.593 -0.440 RESID 228 (K): N 119.100 119.100 120.366 -1.266 RESID 228 (K): C 179.500 179.500 179.058 0.442 RESID 228 (K): CA 59.260 59.260 59.496 -0.236 RESID 228 (K): CB 31.520 31.520 32.416 -0.896 RESID 228 (K): H 7.558 7.558 8.387 -0.829 RESID 229 (L): N 119.100 119.100 119.361 -0.261 RESID 229 (L): C 179.300 179.300 178.830 0.470 RESID 229 (L): CA 56.970 56.970 57.703 -0.733 RESID 229 (L): CB 41.520 41.520 41.848 -0.328 RESID 229 (L): H 8.055 8.055 8.052 0.003 RESID 230 (A): N 121.200 121.200 122.144 -0.944 RESID 230 (A): C 180.500 180.500 179.257 1.243 RESID 230 (A): CA 54.890 54.890 55.541 -0.651 RESID 230 (A): CB 17.570 17.570 17.743 -0.173 RESID 230 (A): H 8.901 8.901 8.314 0.587 RESID 231 (K): N 117.200 117.200 118.009 -0.809 RESID 231 (K): C 177.700 177.700 178.154 -0.454 RESID 231 (K): CA 57.370 57.370 58.795 -1.425 RESID 231 (K): CB 31.330 31.330 32.358 -1.028 RESID 231 (K): H 8.062 8.062 8.091 -0.029 RESID 232 (K): N 117.600 117.600 116.694 0.906 RESID 232 (K): C 176.800 176.800 179.191 -2.391 RESID 232 (K): CA 57.890 57.890 58.639 -0.749 RESID 232 (K): CB 31.150 31.150 32.559 -1.409 RESID 232 (K): H 7.053 7.053 7.456 -0.403 RESID 233 (Y): N 114.000 114.000 117.044 -3.044 RESID 233 (Y): C 175.100 175.100 175.798 -0.698 RESID 233 (Y): CA 58.110 58.110 61.221 -3.111 RESID 233 (Y): CB 39.360 39.360 38.934 0.426 RESID 233 (Y): H 7.013 7.013 8.012 -0.999 RESID 234 (F): N 116.400 116.400 113.530 2.870 RESID 234 (F): C 175.800 175.800 173.441 2.359 RESID 234 (F): CA 54.920 54.920 56.678 -1.758 RESID 234 (F): CB 41.260 41.260 42.808 -1.548 RESID 234 (F): H 8.038 8.038 8.192 -0.154 RESID 235 (D): N 123.000 123.000 121.064 1.936 RESID 235 (D): C 174.500 174.500 174.849 -0.349 RESID 235 (D): CA 52.680 52.680 53.331 -0.651 RESID 235 (D): CB 39.860 39.860 39.451 0.409 RESID 235 (D): H 8.879 8.879 8.560 0.319 RESID 236 (F): N 115.500 115.500 120.761 -5.261 RESID 236 (F): C 173.600 173.600 173.651 -0.051 RESID 236 (F): CA 53.950 53.950 56.717 -2.767 RESID 236 (F): CB 39.860 39.860 39.726 0.134 RESID 236 (F): H 6.793 6.793 7.433 -0.640 RESID 237 (D): N 119.700 119.700 121.986 -2.286 RESID 237 (D): C 175.800 175.800 177.112 -1.312 RESID 237 (D): CA 52.980 52.980 52.646 0.334 RESID 237 (D): CB 39.210 39.210 41.840 -2.630 RESID 237 (D): H 8.831 8.831 8.633 0.198 RESID 238 (V): N 129.900 129.900 122.538 7.362 RESID 238 (V): C 175.200 175.200 176.713 -1.513 RESID 238 (V): CA 61.840 61.840 65.059 -3.219 RESID 238 (V): CB 32.500 32.500 31.876 0.624 RESID 238 (V): H 7.376 7.376 8.335 -0.959 RESID 239 (Y): N 123.500 123.500 119.141 4.359 RESID 239 (Y): C 176.500 176.500 178.558 -2.058 RESID 239 (Y): CA 61.920 61.920 61.168 0.752 RESID 239 (Y): CB 38.010 38.010 37.722 0.288 RESID 239 (Y): H 8.314 8.314 7.814 0.500 RESID 240 (G): N 104.100 104.100 104.340 -0.240 RESID 240 (G): C 174.600 174.600 174.907 -0.307 RESID 240 (G): CA 45.930 45.930 45.325 0.605 RESID 240 (G): H 7.428 7.428 8.419 -0.991 N HA C CA CB H RESID 6 (P): ----- ----- -0.716 -0.621 -0.727 ----- RESID 7 (Q): -0.376 ----- -0.430 -0.633 -0.638 -0.305 RESID 8 (N): 1.995 ----- -0.254 -0.651 -1.400 -0.339 RESID 9 (I): -1.696 ----- -0.218 -0.608 -0.513 -0.732 RESID 10 (R): -0.616 ----- 0.331 -1.432 -0.626 0.635 RESID 11 (I): 2.558 ----- 0.488 0.053 -4.145 0.190 RESID 12 (G): 0.484 ----- -1.613 0.166 ----- 0.861 RESID 13 (T): -1.328 ----- 8.547 -0.315 -1.544 0.627 RESID 14 (D): -0.867 ----- 2.832 -0.598 -1.666 -0.496 RESID 15 (P): ----- ----- -1.001 -1.434 -4.504 ----- RESID 16 (T): 5.412 ----- 0.720 -2.490 -1.215 0.442 RESID 17 (Y): 3.978 ----- -0.448 -1.969 0.167 0.864 RESID 18 (A): 2.449 ----- -0.464 -4.564 -0.173 0.027 RESID 19 (P): ----- ----- -4.318 -2.353 0.191 ----- RESID 20 (F): 7.745 ----- 1.614 2.738 -3.078 -0.136 RESID 21 (E): -2.760 ----- -0.837 -0.796 -5.395 -0.757 RESID 22 (S): 4.119 ----- -0.780 -1.296 -1.176 0.451 RESID 23 (K): -2.000 ----- 2.546 -1.639 -1.862 -0.001 RESID 24 (N): 1.543 ----- 0.977 -1.253 -1.991 0.009 RESID 25 (S): ----- ----- -0.040 0.074 -0.104 ----- RESID 26 (Q): -0.186 ----- -0.612 -0.481 -0.441 -0.876 RESID 27 (G): 1.143 ----- -0.369 -0.036 ----- 0.325 RESID 28 (E): 0.539 ----- 0.134 -1.442 -0.855 -0.219 RESID 29 (L): 2.354 ----- 1.069 0.493 -1.672 0.033 RESID 30 (V): -3.921 ----- 1.726 -1.572 0.113 1.211 RESID 31 (G): -0.681 ----- 0.917 -1.393 ----- 1.118 RESID 32 (F): -2.650 ----- 2.047 -0.854 -0.317 0.171 RESID 33 (D): -2.603 ----- 1.056 -0.391 -1.665 1.607 RESID 34 (I): -0.942 ----- 0.251 -3.789 -4.221 -1.192 RESID 35 (D): 0.640 ----- 1.621 -0.310 0.128 0.719 RESID 36 (L): -0.351 ----- 0.508 -0.046 0.642 1.283 RESID 37 (A): -1.431 ----- -0.980 -0.059 -1.119 0.722 RESID 38 (K): -2.969 ----- 0.982 0.511 -0.549 0.618 RESID 39 (E): 2.035 ----- -1.075 -0.890 -1.508 -0.080 RESID 40 (L): 1.123 ----- -0.096 0.238 -1.528 0.740 RESID 41 (C): -2.764 ----- -1.661 -0.367 21.395 0.031 RESID 42 (K): -0.318 ----- 1.674 -0.637 -0.926 -0.534 RESID 43 (R): 1.554 ----- 0.032 0.302 -0.232 0.445 RESID 44 (I): -5.724 ----- -0.828 -2.116 -1.570 -0.644 RESID 45 (N): 3.056 ----- -0.344 -0.955 0.705 -0.298 RESID 46 (T): 7.046 ----- 0.272 -0.258 -1.361 0.003 RESID 47 (Q): 3.512 ----- 0.830 -0.540 -1.827 -0.322 RESID 48 (C): -0.586 ----- -0.592 -4.726 17.889 0.198 RESID 49 (T): -1.889 ----- 0.142 -1.046 -0.099 -0.483 RESID 50 (F): -2.134 ----- -0.145 -0.016 0.462 0.351 RESID 51 (V): 2.531 ----- -0.024 -0.031 -1.667 0.198 RESID 52 (E): -2.118 ----- 1.658 -2.776 -1.056 -0.154 RESID 53 (N): 6.391 ----- -1.811 -0.247 5.671 0.682 RESID 54 (P): ----- ----- -0.184 -0.701 -1.442 ----- RESID 55 (L): -0.058 ----- 0.885 -1.104 0.087 0.302 RESID 56 (D): -3.595 ----- -0.825 -0.779 -0.544 0.119 RESID 57 (A): 0.491 ----- 1.031 -2.164 -0.482 -0.252 RESID 58 (L): 1.101 ----- -0.959 0.841 -1.766 -0.365 RESID 59 (I): 0.106 ----- 1.251 1.656 -0.709 1.382 RESID 60 (P): ----- ----- 0.877 -0.630 -1.283 ----- RESID 61 (S): -0.083 ----- -1.194 0.325 ----- -0.339 RESID 62 (L): 3.149 ----- 2.016 -0.317 0.049 0.152 RESID 63 (K): 1.947 ----- 0.088 0.333 -1.706 0.711 RESID 64 (A): 0.020 ----- -0.470 -0.307 -0.453 -0.286 RESID 65 (K): -1.806 ----- -0.470 -0.182 -2.179 0.071 RESID 66 (K): 2.889 ----- -0.524 -1.252 -0.842 0.630 RESID 67 (I): -5.020 ----- -1.396 0.004 -0.569 -0.209 RESID 68 (D): -2.994 ----- -3.565 0.187 1.599 1.190 RESID 69 (A): -0.734 ----- 1.051 -1.043 -0.179 0.014 RESID 70 (I): -0.297 ----- 0.088 -0.598 0.181 1.356 RESID 71 (M): -1.036 ----- -1.357 -1.898 -0.600 0.188 RESID 72 (S): 1.430 ----- -0.757 0.643 -0.579 0.113 RESID 73 (S): 5.507 ----- 0.014 -0.919 0.169 -0.047 RESID 74 (L): -3.031 ----- -0.788 -1.232 -0.450 1.194 RESID 75 (S): 2.186 ----- 0.825 2.401 -1.713 0.275 RESID 76 (I): 9.525 ----- 0.961 1.730 -3.858 0.076 RESID 77 (T): 3.059 ----- -0.270 -2.220 -0.734 -1.014 RESID 78 (E): -0.451 ----- 1.605 -1.716 -0.643 0.024 RESID 79 (K): 0.080 ----- 1.558 -0.295 -0.690 0.051 RESID 80 (R): -0.339 ----- 0.148 0.372 0.307 0.275 RESID 81 (Q): -0.819 ----- -2.251 -1.674 0.341 0.076 RESID 82 (Q): -2.568 ----- -0.471 -1.198 -0.502 -0.694 RESID 83 (E): -2.135 ----- -0.895 -1.413 1.880 -0.297 RESID 84 (I): 3.220 ----- -1.340 0.483 -0.699 0.302 RESID 85 (A): 0.212 ----- -0.273 -1.126 0.857 0.259 RESID 86 (F): -3.639 ----- 2.985 -1.076 0.261 -0.339 RESID 87 (T): -6.771 ----- 0.898 0.783 2.646 -0.493 RESID 88 (D): -2.021 ----- -1.331 -0.758 1.046 -0.017 RESID 89 (K): 1.488 ----- -0.517 -1.708 0.328 -0.030 RESID 90 (L): -2.955 ----- 0.257 -2.877 -1.597 0.003 RESID 91 (Y): 0.479 ----- -1.075 0.512 -2.899 -0.384 RESID 92 (A): 0.557 ----- -1.163 0.850 0.706 -0.965 RESID 93 (A): -0.734 ----- -0.981 0.321 -0.033 0.263 RESID 94 (D): 1.112 ----- -0.837 -1.234 -0.250 0.752 RESID 95 (S): -1.887 ----- -1.474 0.474 -0.102 -1.033 RESID 96 (R): 4.545 ----- -0.156 1.543 -0.270 0.395 RESID 97 (L): -1.049 ----- 1.679 0.359 -1.763 1.286 RESID 98 (V): 0.948 ----- 0.744 0.884 0.404 1.478 RESID 99 (V): -5.304 ----- 0.663 -0.857 0.877 1.099 RESID 100 (A): 1.006 ----- 0.664 2.146 -1.766 0.692 RESID 101 (K): -4.050 ----- -0.206 0.371 -0.492 -1.080 RESID 102 (N): -1.164 ----- 0.250 -2.303 -1.620 -0.227 RESID 103 (S): 0.144 ----- 2.736 0.692 0.387 0.070 RESID 104 (D): -0.785 ----- 1.706 -0.974 -0.596 0.001 RESID 105 (I): -1.236 ----- -0.704 3.191 -2.957 -0.335 RESID 106 (Q): -0.598 ----- 0.684 -0.654 2.007 -0.197 RESID 107 (P): ----- ----- -0.479 -1.793 -3.903 ----- RESID 108 (T): -3.072 ----- -0.384 -3.896 -1.072 0.800 RESID 109 (V): -1.765 ----- 0.367 0.840 -2.193 0.286 RESID 110 (E): -3.935 ----- -0.251 -0.886 -0.876 0.028 RESID 111 (S): -0.234 ----- 0.583 -1.614 1.219 -1.053 RESID 112 (L): -4.293 ----- 0.004 -0.793 0.088 0.351 RESID 113 (K): 1.787 ----- 0.698 0.616 -1.400 -0.299 RESID 114 (G): 0.977 ----- -0.592 -0.129 ----- 0.098 RESID 115 (K): -1.064 ----- -1.306 -1.012 -1.319 0.653 RESID 116 (R): -1.460 ----- 0.576 -1.005 0.484 0.993 RESID 117 (V): 2.887 ----- 0.355 -0.124 -1.950 0.584 RESID 118 (G): 0.356 ----- -0.234 1.381 ----- 1.289 RESID 119 (V): -5.971 ----- 0.076 -2.186 -0.628 -0.138 RESID 120 (L): 0.252 ----- 1.236 -0.265 -1.423 0.137 RESID 121 (Q): 0.825 ----- -0.343 -0.410 -1.609 0.316 RESID 122 (G): 0.013 ----- 1.544 -0.231 ----- 0.629 RESID 123 (T): -1.705 ----- 2.394 0.251 2.895 -0.517 RESID 124 (T): 1.368 ----- 1.576 -0.682 -0.965 0.275 RESID 125 (Q): -1.824 ----- 0.214 1.906 -2.735 -0.749 RESID 126 (E): 2.147 ----- -1.292 -0.207 -0.907 -0.093 RESID 127 (T): 1.601 ----- -0.177 -0.454 -1.127 0.560 RESID 128 (F): -0.071 ----- 0.464 0.855 -0.117 0.278 RESID 129 (G): -0.120 ----- -0.383 -0.514 ----- -0.268 RESID 130 (N): 4.543 ----- 0.364 0.055 -0.626 0.342 RESID 131 (E): 2.297 ----- 0.808 1.240 -1.414 0.427 RESID 132 (H): -6.052 ----- 0.347 -1.900 0.699 0.006 RESID 133 (W): 1.858 ----- 0.601 -0.979 0.680 0.155 RESID 134 (A): 0.753 ----- 0.479 0.780 -0.815 1.179 RESID 135 (P): ----- ----- -0.231 0.317 -0.179 ----- RESID 136 (K): -0.478 ----- -1.123 -2.390 -0.621 -0.480 RESID 137 (G): -2.260 ----- 0.777 0.369 ----- 0.199 RESID 138 (I): 5.041 ----- -0.380 0.361 -1.784 -0.588 RESID 139 (E): 1.201 ----- -1.197 0.467 -1.746 -0.102 RESID 140 (I): 7.821 ----- 1.340 -1.924 -6.134 0.283 RESID 141 (V): 7.742 ----- -0.096 -0.092 -3.765 0.401 RESID 142 (S): 2.778 ----- 1.474 0.314 -0.054 0.096 RESID 143 (Y): -2.689 ----- -0.484 -0.414 0.981 -0.296 RESID 144 (Q): -0.583 ----- 1.093 0.580 -1.388 0.230 RESID 145 (G): -0.530 ----- -0.659 -0.025 ----- -0.329 RESID 146 (Q): 1.421 ----- -0.148 -0.999 -0.438 0.089 RESID 147 (D): -0.535 ----- 0.418 -0.226 -0.848 -0.039 RESID 148 (N): -0.202 ----- -0.563 -0.432 0.605 -1.059 RESID 149 (I): 0.215 ----- -0.135 -0.611 -1.681 -0.294 RESID 150 (Y): -0.820 ----- 0.746 -1.945 -1.663 -0.491 RESID 151 (S): 2.107 ----- -0.005 -0.378 -0.129 -0.049 RESID 152 (D): -0.898 ----- 0.660 -0.291 -2.139 -0.167 RESID 153 (L): 2.951 ----- 1.754 0.618 -0.188 0.523 RESID 154 (T): -1.444 ----- 1.348 -1.482 -0.317 0.075 RESID 155 (A): 1.677 ----- 0.159 -0.681 -0.486 0.365 RESID 156 (G): 0.673 ----- -0.253 0.245 ----- -0.090 RESID 157 (R): -0.193 ----- 0.875 -0.335 -0.360 0.309 RESID 158 (I): -3.905 ----- -0.580 0.691 -1.018 -0.011 RESID 159 (D): -4.734 ----- -0.958 -0.391 1.918 0.173 RESID 160 (A): -0.033 ----- 0.584 -1.299 1.693 0.537 RESID 161 (A): 1.584 ----- -0.186 -0.554 -0.486 0.919 RESID 162 (F): 2.506 ----- -2.099 -3.740 0.602 0.540 RESID 163 (Q): 1.237 ----- -0.300 -0.084 1.240 -0.413 RESID 164 (D): 1.061 ----- -1.448 1.073 0.318 -0.137 RESID 165 (E): 5.744 ----- -0.416 0.100 0.195 -0.159 RESID 166 (V): 1.246 ----- 1.018 0.108 -0.189 0.554 RESID 167 (A): 3.132 ----- 3.410 0.261 -0.125 0.751 RESID 168 (A): -0.870 ----- 0.064 -0.367 0.326 0.461 RESID 169 (S): -0.912 ----- -0.550 -1.768 0.490 -0.096 RESID 170 (E): -4.860 ----- 1.349 -0.498 0.742 0.975 RESID 171 (G): -1.513 ----- -1.317 -0.301 ----- 0.800 RESID 172 (F): -2.415 ----- -2.484 -0.463 1.654 -1.055 RESID 173 (L): 0.073 ----- 0.707 0.804 -1.809 0.949 RESID 174 (K): -1.845 ----- 0.553 -0.830 -0.887 0.472 RESID 175 (Q): 1.729 ----- 2.058 0.307 -3.031 -0.133 RESID 176 (P): ----- ----- 1.716 0.686 -0.918 ----- RESID 177 (V): -5.254 ----- -1.776 -2.999 -0.288 -0.184 RESID 178 (G): 4.149 ----- 0.131 -2.078 ----- -0.677 RESID 179 (K): 1.826 ----- -0.566 -0.088 -1.021 -0.453 RESID 180 (D): -0.126 ----- -1.964 -1.944 -1.701 0.587 RESID 181 (Y): 5.551 ----- -1.176 0.140 -0.488 0.316 RESID 182 (K): -1.824 ----- 0.633 -2.128 2.244 0.660 RESID 183 (F): -3.207 ----- 2.649 -1.114 -4.615 0.337 RESID 184 (G): 4.696 ----- -1.578 1.974 ----- 0.291 RESID 185 (G): 2.214 ----- -1.752 -0.926 ----- -0.551 RESID 186 (P): ----- ----- -0.701 -2.530 0.794 ----- RESID 187 (S): -5.868 ----- -0.381 0.672 -2.563 0.115 RESID 188 (V): 1.558 ----- 0.413 -0.295 -0.741 1.193 RESID 189 (K): 3.222 ----- 2.771 -1.471 -1.036 -0.077 RESID 190 (D): -1.802 ----- -1.591 2.174 2.181 0.544 RESID 191 (E): 2.497 ----- -0.282 0.850 -1.114 0.385 RESID 192 (K): -1.297 ----- 0.147 -0.783 -0.458 -0.867 RESID 193 (L): 0.201 ----- -0.029 -1.188 0.267 1.217 RESID 194 (F): 3.334 ----- 2.349 -2.761 -2.515 0.738 RESID 195 (G): -1.930 ----- -0.354 -0.767 ----- -0.142 RESID 196 (V): -11.415 ----- -0.518 -3.271 -1.520 -0.270 RESID 197 (G): 2.945 ----- 0.292 -2.045 ----- 0.537 RESID 198 (T): -4.123 ----- -0.344 -0.250 -0.235 -0.141 RESID 199 (G): -4.299 ----- -0.474 -1.799 ----- 0.068 RESID 200 (M): 1.972 ----- 0.165 0.417 -2.202 -0.250 RESID 201 (G): 1.836 ----- -0.653 0.255 ----- 0.381 RESID 202 (L): -0.164 ----- 0.078 0.911 -0.040 0.099 RESID 203 (R): 1.553 ----- 2.491 1.699 -1.649 2.140 RESID 204 (K): -1.216 ----- 0.532 -0.112 -0.309 0.559 RESID 205 (E): -3.299 ----- -0.183 -0.997 -1.128 0.797 RESID 206 (D): 5.147 ----- 0.794 0.057 -1.165 -0.791 RESID 207 (N): -0.365 ----- -0.104 0.510 -0.076 -0.885 RESID 208 (E): 1.525 ----- 1.432 0.894 -1.816 0.444 RESID 209 (L): 2.455 ----- -1.112 -0.149 -1.175 0.505 RESID 210 (R): 0.343 ----- -0.824 0.233 0.086 -0.741 RESID 211 (E): -3.045 ----- 1.266 -0.109 -0.998 0.532 RESID 212 (A): 0.821 ----- 1.654 0.108 -0.971 0.495 RESID 213 (L): 1.578 ----- -1.218 -0.491 0.237 0.315 RESID 214 (N): 2.741 ----- 1.843 -0.619 -0.801 0.105 RESID 215 (K): 2.475 ----- -0.116 -0.306 -0.741 -0.370 RESID 216 (A): 0.457 ----- -0.009 -0.750 0.432 -0.301 RESID 217 (F): -0.617 ----- 0.219 1.105 -1.068 0.599 RESID 218 (A): 0.086 ----- 2.425 -0.391 -1.342 -0.183 RESID 219 (E): 0.972 ----- -0.407 -0.269 -1.163 0.112 RESID 220 (M): 2.784 ----- 0.465 -2.040 0.163 0.058 RESID 221 (R): 0.825 ----- 0.411 -0.217 -2.374 0.250 RESID 222 (A): 0.403 ----- 0.374 -0.447 -0.518 0.097 RESID 223 (D): 0.424 ----- 0.640 -0.109 -0.875 0.114 RESID 224 (G): -2.135 ----- -0.008 -1.237 ----- -0.226 RESID 225 (T): 5.246 ----- 0.374 -0.269 -1.919 0.328 RESID 226 (Y): -0.198 ----- -0.905 0.154 0.075 0.401 RESID 227 (E): -0.511 ----- -0.496 -0.543 -0.310 -0.440 RESID 228 (K): -1.266 ----- 0.442 -0.236 -0.896 -0.829 RESID 229 (L): -0.261 ----- 0.470 -0.733 -0.328 0.003 RESID 230 (A): -0.944 ----- 1.243 -0.651 -0.173 0.587 RESID 231 (K): -0.809 ----- -0.454 -1.425 -1.028 -0.029 RESID 232 (K): 0.906 ----- -2.391 -0.749 -1.409 -0.403 RESID 233 (Y): -3.044 ----- -0.698 -3.111 0.426 -0.999 RESID 234 (F): 2.870 ----- 2.359 -1.758 -1.548 -0.154 RESID 235 (D): 1.936 ----- -0.349 -0.651 0.409 0.319 RESID 236 (F): -5.261 ----- -0.051 -2.767 0.134 -0.640 RESID 237 (D): -2.286 ----- -1.312 0.334 -2.630 0.198 RESID 238 (V): 7.362 ----- -1.513 -3.219 0.624 -0.959 RESID 239 (Y): 4.359 ----- -2.058 0.752 0.288 0.500 RESID 240 (G): -0.240 ----- -0.307 0.605 ----- -0.991 DATA CS_STAT_INFO N RMS: 2.910 ppm Count: 226 Average Difference: -0.160 +/- 2.912 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.290 ppm Count: 236 Average Difference: -0.113 +/- 1.288 ppm DATA CS_STAT_INFO CA RMS: 1.333 ppm Count: 236 Average Difference: 0.528 +/- 1.226 ppm DATA CS_STAT_INFO CB RMS: 2.458 ppm Count: 215 Average Difference: 0.514 +/- 2.409 ppm DATA CS_STAT_INFO HN RMS: 0.591 ppm Count: 226 Average Difference: -0.120 +/- 0.580 ppm ############################################################################ For conformer 30: Atom Original Corrected SPARTA Difference RESID 5 (I): N 121.300 121.300 121.327 -0.027 RESID 5 (I): C 174.300 174.300 174.350 -0.050 RESID 5 (I): CA 57.710 57.710 59.818 -2.108 RESID 5 (I): CB 37.260 37.260 37.774 -0.514 RESID 5 (I): H 7.868 7.868 8.226 -0.358 RESID 6 (P): C 176.100 176.100 176.818 -0.718 RESID 6 (P): CA 62.180 62.180 62.805 -0.625 RESID 6 (P): CB 31.620 31.620 32.347 -0.727 RESID 7 (Q): N 119.200 119.200 119.569 -0.369 RESID 7 (Q): C 175.600 175.600 176.026 -0.426 RESID 7 (Q): CA 57.190 57.190 57.825 -0.635 RESID 7 (Q): CB 28.500 28.500 29.132 -0.632 RESID 7 (Q): H 8.380 8.380 8.687 -0.307 RESID 8 (N): N 116.300 116.300 114.311 1.989 RESID 8 (N): C 173.600 173.600 173.859 -0.259 RESID 8 (N): CA 51.720 51.720 52.370 -0.649 RESID 8 (N): CB 40.540 40.540 41.933 -1.393 RESID 8 (N): H 7.472 7.472 7.806 -0.334 RESID 9 (I): N 121.000 121.000 122.777 -1.777 RESID 9 (I): C 174.700 174.700 174.936 -0.236 RESID 9 (I): CA 59.480 59.480 60.069 -0.589 RESID 9 (I): CB 39.740 39.740 40.234 -0.494 RESID 9 (I): H 8.416 8.416 9.150 -0.734 RESID 10 (R): N 126.500 126.500 127.106 -0.606 RESID 10 (R): C 175.800 175.800 175.480 0.320 RESID 10 (R): CA 53.950 53.950 55.370 -1.421 RESID 10 (R): CB 30.670 30.670 31.313 -0.643 RESID 10 (R): H 9.098 9.098 8.576 0.522 RESID 11 (I): N 127.500 127.500 124.929 2.571 RESID 11 (I): C 175.600 175.600 175.101 0.499 RESID 11 (I): CA 59.480 59.480 59.413 0.067 RESID 11 (I): CB 37.460 37.460 41.625 -4.165 RESID 11 (I): H 9.279 9.279 9.084 0.195 RESID 12 (G): N 114.800 114.800 114.214 0.586 RESID 12 (G): C 171.700 171.700 173.014 -1.314 RESID 12 (G): CA 44.540 44.540 44.294 0.246 RESID 12 (G): H 9.382 9.382 8.536 0.846 RESID 13 (T): N 120.600 120.600 121.729 -1.129 RESID 13 (T): C 181.600 181.600 173.077 8.523 RESID 13 (T): CA 61.470 61.470 62.025 -0.555 RESID 13 (T): CB 69.970 69.970 71.682 -1.712 RESID 13 (T): H 8.594 8.594 7.987 0.607 RESID 14 (D): N 127.000 127.000 127.854 -0.854 RESID 14 (D): C 177.500 177.500 174.654 2.846 RESID 14 (D): CA 49.760 49.760 50.243 -0.483 RESID 14 (D): CB 40.580 40.580 42.251 -1.671 RESID 14 (D): H 8.200 8.200 8.677 -0.477 RESID 15 (P): C 175.400 175.400 176.505 -1.105 RESID 15 (P): CA 61.920 61.920 63.352 -1.433 RESID 15 (P): CB 27.890 27.890 32.353 -4.463 RESID 16 (T): N 116.200 116.200 110.638 5.562 RESID 16 (T): C 174.000 174.000 173.298 0.702 RESID 16 (T): CA 59.560 59.560 62.028 -2.467 RESID 16 (T): CB 68.650 68.650 69.880 -1.230 RESID 16 (T): H 8.739 8.739 8.246 0.493 RESID 17 (Y): N 125.800 125.800 121.878 3.922 RESID 17 (Y): C 175.200 175.200 175.641 -0.441 RESID 17 (Y): CA 54.180 54.180 56.118 -1.938 RESID 17 (Y): CB 38.700 38.700 38.471 0.229 RESID 17 (Y): H 8.943 8.943 8.046 0.897 RESID 18 (A): N 132.100 132.100 129.674 2.426 RESID 18 (A): C 176.000 176.000 176.456 -0.456 RESID 18 (A): CA 51.490 51.490 56.071 -4.581 RESID 18 (A): CB 16.070 16.070 16.257 -0.187 RESID 18 (A): H 8.945 8.945 8.924 0.021 RESID 19 (P): C 173.500 173.500 177.819 -4.319 RESID 19 (P): CA 62.890 62.890 65.239 -2.349 RESID 19 (P): CB 31.790 31.790 31.596 0.194 RESID 20 (F): N 125.100 125.100 117.381 7.719 RESID 20 (F): C 176.700 176.700 175.082 1.618 RESID 20 (F): CA 62.420 62.420 59.667 2.753 RESID 20 (F): CB 37.980 37.980 41.063 -3.083 RESID 20 (F): H 8.117 8.117 8.251 -0.134 RESID 21 (E): N 111.800 111.800 114.560 -2.760 RESID 21 (E): C 173.600 173.600 174.434 -0.834 RESID 21 (E): CA 54.400 54.400 55.196 -0.796 RESID 21 (E): CB 28.770 28.770 34.161 -5.391 RESID 21 (E): H 7.701 7.701 8.458 -0.757 RESID 22 (S): N 117.200 117.200 113.080 4.120 RESID 22 (S): C 171.500 171.500 172.281 -0.781 RESID 22 (S): CA 57.290 57.290 58.585 -1.295 RESID 22 (S): CB 62.940 62.940 64.109 -1.169 RESID 22 (S): H 8.750 8.750 8.298 0.452 RESID 23 (K): N 117.400 117.400 119.402 -2.002 RESID 23 (K): C 177.600 177.600 175.054 2.546 RESID 23 (K): CA 53.700 53.700 55.336 -1.636 RESID 23 (K): CB 33.330 33.330 35.182 -1.852 RESID 23 (K): H 8.238 8.238 8.238 -0.000 RESID 24 (N): N 122.400 122.400 120.858 1.542 RESID 24 (N): C 178.000 178.000 177.026 0.974 RESID 24 (N): CA 50.600 50.600 51.838 -1.238 RESID 24 (N): CB 38.140 38.140 40.132 -1.992 RESID 24 (N): H 8.584 8.584 8.583 0.001 RESID 25 (S): C 175.400 175.400 175.430 -0.030 RESID 25 (S): CA 60.970 60.970 60.919 0.051 RESID 25 (S): CB 62.410 62.410 62.517 -0.106 RESID 26 (Q): N 119.300 119.300 119.477 -0.177 RESID 26 (Q): C 176.200 176.200 176.803 -0.603 RESID 26 (Q): CA 55.180 55.180 55.666 -0.486 RESID 26 (Q): CB 28.260 28.260 28.708 -0.448 RESID 26 (Q): H 7.520 7.520 8.387 -0.867 RESID 27 (G): N 108.800 108.800 107.648 1.152 RESID 27 (G): C 173.700 173.700 174.068 -0.368 RESID 27 (G): CA 45.050 45.050 45.079 -0.029 RESID 27 (G): H 8.169 8.169 7.848 0.321 RESID 28 (E): N 121.200 121.200 120.666 0.534 RESID 28 (E): C 175.800 175.800 175.662 0.138 RESID 28 (E): CA 54.490 54.490 55.935 -1.445 RESID 28 (E): CB 29.750 29.750 30.601 -0.851 RESID 28 (E): H 7.836 7.836 8.054 -0.218 RESID 29 (L): N 123.500 123.500 121.132 2.368 RESID 29 (L): C 176.400 176.400 175.334 1.066 RESID 29 (L): CA 54.310 54.310 53.806 0.504 RESID 29 (L): CB 41.180 41.180 42.862 -1.682 RESID 29 (L): H 8.281 8.281 8.245 0.036 RESID 30 (V): N 118.200 118.200 122.388 -4.188 RESID 30 (V): C 175.300 175.300 173.448 1.852 RESID 30 (V): CA 58.360 58.360 60.025 -1.665 RESID 30 (V): CB 36.080 36.080 35.886 0.194 RESID 30 (V): H 8.900 8.900 7.605 1.295 RESID 31 (G): N 109.800 109.800 109.991 -0.191 RESID 31 (G): C 174.400 174.400 173.478 0.922 RESID 31 (G): CA 43.830 43.830 45.144 -1.314 RESID 31 (G): H 8.611 8.611 7.520 1.091 RESID 32 (F): N 119.900 119.900 122.553 -2.653 RESID 32 (F): C 177.900 177.900 175.844 2.056 RESID 32 (F): CA 59.800 59.800 60.689 -0.889 RESID 32 (F): CB 38.950 38.950 39.264 -0.314 RESID 32 (F): H 8.295 8.295 8.119 0.176 RESID 33 (D): N 116.500 116.500 119.099 -2.599 RESID 33 (D): C 179.100 179.100 178.055 1.045 RESID 33 (D): CA 56.180 56.180 56.568 -0.388 RESID 33 (D): CB 38.610 38.610 40.282 -1.672 RESID 33 (D): H 8.935 8.935 7.337 1.598 RESID 34 (I): N 118.800 118.800 119.792 -0.992 RESID 34 (I): C 178.000 178.000 177.759 0.241 RESID 34 (I): CA 60.950 60.950 64.753 -3.803 RESID 34 (I): CB 33.620 33.620 37.845 -4.225 RESID 34 (I): H 6.535 6.535 7.726 -1.191 RESID 35 (D): N 121.000 121.000 120.333 0.667 RESID 35 (D): C 180.300 180.300 178.685 1.615 RESID 35 (D): CA 57.100 57.100 57.410 -0.310 RESID 35 (D): CB 40.420 40.420 40.294 0.126 RESID 35 (D): H 8.536 8.536 7.838 0.698 RESID 36 (L): N 120.500 120.500 120.835 -0.335 RESID 36 (L): C 178.500 178.500 177.991 0.509 RESID 36 (L): CA 57.720 57.720 57.769 -0.049 RESID 36 (L): CB 42.230 42.230 41.593 0.638 RESID 36 (L): H 8.508 8.508 7.229 1.279 RESID 37 (A): N 120.200 120.200 121.625 -1.425 RESID 37 (A): C 178.600 178.600 179.580 -0.980 RESID 37 (A): CA 55.170 55.170 55.227 -0.057 RESID 37 (A): CB 17.340 17.340 18.461 -1.121 RESID 37 (A): H 8.383 8.383 7.655 0.728 RESID 38 (K): N 116.400 116.400 119.369 -2.969 RESID 38 (K): C 180.100 180.100 179.117 0.983 RESID 38 (K): CA 60.530 60.530 60.030 0.500 RESID 38 (K): CB 31.840 31.840 32.389 -0.549 RESID 38 (K): H 8.780 8.780 8.154 0.626 RESID 39 (E): N 121.500 121.500 119.458 2.042 RESID 39 (E): C 178.300 178.300 179.374 -1.074 RESID 39 (E): CA 58.430 58.430 59.317 -0.887 RESID 39 (E): CB 27.990 27.990 29.496 -1.506 RESID 39 (E): H 7.692 7.692 7.766 -0.074 RESID 40 (L): N 121.500 121.500 120.391 1.109 RESID 40 (L): C 178.700 178.700 178.795 -0.095 RESID 40 (L): CA 58.490 58.490 58.257 0.233 RESID 40 (L): CB 40.250 40.250 41.777 -1.527 RESID 40 (L): H 8.563 8.563 7.816 0.747 RESID 41 (C): N 115.700 115.700 118.456 -2.756 RESID 41 (C): C 175.800 175.800 177.460 -1.660 RESID 41 (C): CA 62.390 62.390 62.761 -0.372 RESID 41 (C): CB 46.860 46.860 25.468 21.392 RESID 41 (C): H 8.598 8.598 8.568 0.030 RESID 42 (K): N 119.300 119.300 119.615 -0.315 RESID 42 (K): C 180.800 180.800 179.122 1.678 RESID 42 (K): CA 58.810 58.810 59.443 -0.633 RESID 42 (K): CB 31.430 31.430 32.358 -0.928 RESID 42 (K): H 7.490 7.490 8.023 -0.533 RESID 43 (R): N 119.500 119.500 117.947 1.553 RESID 43 (R): C 178.700 178.700 178.668 0.032 RESID 43 (R): CA 58.760 58.760 58.456 0.304 RESID 43 (R): CB 29.980 29.980 30.215 -0.235 RESID 43 (R): H 8.057 8.057 7.621 0.436 RESID 44 (I): N 111.800 111.800 117.535 -5.735 RESID 44 (I): C 175.000 175.000 175.830 -0.830 RESID 44 (I): CA 60.940 60.940 63.066 -2.126 RESID 44 (I): CB 36.630 36.630 38.202 -1.572 RESID 44 (I): H 7.765 7.765 8.409 -0.644 RESID 45 (N): N 118.800 118.800 115.747 3.053 RESID 45 (N): C 173.600 173.600 173.945 -0.345 RESID 45 (N): CA 53.670 53.670 54.623 -0.954 RESID 45 (N): CB 36.620 36.620 35.920 0.700 RESID 45 (N): H 7.752 7.752 8.047 -0.295 RESID 46 (T): N 112.800 112.800 105.773 7.027 RESID 46 (T): C 173.100 173.100 172.829 0.271 RESID 46 (T): CA 60.020 60.020 60.280 -0.260 RESID 46 (T): CB 70.500 70.500 71.859 -1.359 RESID 46 (T): H 7.920 7.920 7.914 0.006 RESID 47 (Q): N 123.500 123.500 119.990 3.510 RESID 47 (Q): C 175.400 175.400 174.569 0.831 RESID 47 (Q): CA 54.550 54.550 55.096 -0.546 RESID 47 (Q): CB 28.670 28.670 30.486 -1.816 RESID 47 (Q): H 8.037 8.037 8.358 -0.321 RESID 48 (C): N 123.800 123.800 124.403 -0.603 RESID 48 (C): C 173.800 173.800 174.397 -0.597 RESID 48 (C): CA 53.170 53.170 57.899 -4.729 RESID 48 (C): CB 47.290 47.290 29.393 17.897 RESID 48 (C): H 8.881 8.881 8.688 0.193 RESID 49 (T): N 118.600 118.600 120.510 -1.910 RESID 49 (T): C 172.700 172.700 172.556 0.144 RESID 49 (T): CA 60.210 60.210 61.264 -1.054 RESID 49 (T): CB 70.980 70.980 71.080 -0.100 RESID 49 (T): H 8.324 8.324 8.802 -0.478 RESID 50 (F): N 123.800 123.800 125.930 -2.130 RESID 50 (F): C 175.800 175.800 175.941 -0.141 RESID 50 (F): CA 57.370 57.370 57.378 -0.008 RESID 50 (F): CB 40.730 40.730 40.292 0.438 RESID 50 (F): H 8.982 8.982 8.640 0.342 RESID 51 (V): N 126.300 126.300 123.737 2.563 RESID 51 (V): C 174.700 174.700 174.722 -0.022 RESID 51 (V): CA 60.650 60.650 60.674 -0.024 RESID 51 (V): CB 33.700 33.700 35.379 -1.679 RESID 51 (V): H 9.271 9.271 9.063 0.208 RESID 52 (E): N 126.900 126.900 129.000 -2.100 RESID 52 (E): C 176.900 176.900 175.247 1.653 RESID 52 (E): CA 54.480 54.480 57.254 -2.774 RESID 52 (E): CB 29.350 29.350 30.408 -1.058 RESID 52 (E): H 8.617 8.617 8.769 -0.152 RESID 53 (N): N 127.100 127.100 120.682 6.418 RESID 53 (N): C 170.600 170.600 172.409 -1.809 RESID 53 (N): CA 51.220 51.220 51.459 -0.239 RESID 53 (N): CB 43.980 43.980 38.305 5.675 RESID 53 (N): H 8.917 8.917 8.235 0.682 RESID 54 (P): C 178.600 178.600 178.752 -0.152 RESID 54 (P): CA 61.650 61.650 62.409 -0.759 RESID 54 (P): CB 31.460 31.460 32.947 -1.487 RESID 55 (L): N 124.200 124.200 124.226 -0.026 RESID 55 (L): C 179.600 179.600 178.710 0.890 RESID 55 (L): CA 58.130 58.130 59.233 -1.103 RESID 55 (L): CB 41.470 41.470 41.454 0.016 RESID 55 (L): H 9.096 9.096 8.692 0.404 RESID 56 (D): N 115.400 115.400 119.004 -3.604 RESID 56 (D): C 176.500 176.500 177.320 -0.820 RESID 56 (D): CA 56.080 56.080 56.855 -0.775 RESID 56 (D): CB 39.640 39.640 40.182 -0.542 RESID 56 (D): H 8.651 8.651 8.529 0.122 RESID 57 (A): N 120.400 120.400 119.913 0.487 RESID 57 (A): C 180.000 180.000 178.960 1.040 RESID 57 (A): CA 51.440 51.440 53.602 -2.162 RESID 57 (A): CB 19.170 19.170 19.650 -0.480 RESID 57 (A): H 8.079 8.079 8.336 -0.257 RESID 58 (L): N 122.300 122.300 121.198 1.102 RESID 58 (L): C 177.800 177.800 178.759 -0.959 RESID 58 (L): CA 58.960 58.960 58.117 0.843 RESID 58 (L): CB 40.150 40.150 41.917 -1.767 RESID 58 (L): H 7.783 7.783 8.126 -0.343 RESID 59 (I): N 119.600 119.600 119.501 0.099 RESID 59 (I): C 176.400 176.400 175.145 1.255 RESID 59 (I): CA 68.170 68.170 66.519 1.651 RESID 59 (I): CB 33.980 33.980 34.690 -0.710 RESID 59 (I): H 9.094 9.094 7.714 1.380 RESID 60 (P): C 180.100 180.100 179.229 0.871 RESID 60 (P): CA 65.890 65.890 66.518 -0.628 RESID 60 (P): CB 29.980 29.980 31.263 -1.283 RESID 61 (S): N 114.800 114.800 114.893 -0.093 RESID 61 (S): C 175.500 175.500 176.698 -1.198 RESID 61 (S): CA 62.170 62.170 61.821 0.349 RESID 61 (S): H 7.865 7.865 8.197 -0.332 RESID 62 (L): N 126.200 126.200 123.059 3.141 RESID 62 (L): C 181.000 181.000 178.978 2.022 RESID 62 (L): CA 57.400 57.400 57.714 -0.314 RESID 62 (L): CB 41.820 41.820 41.768 0.052 RESID 62 (L): H 8.296 8.296 8.152 0.144 RESID 63 (K): N 121.000 121.000 119.060 1.940 RESID 63 (K): C 178.000 178.000 177.915 0.085 RESID 63 (K): CA 59.500 59.500 59.169 0.331 RESID 63 (K): CB 30.770 30.770 32.476 -1.706 RESID 63 (K): H 8.461 8.461 7.761 0.700 RESID 64 (A): N 118.700 118.700 118.679 0.021 RESID 64 (A): C 176.200 176.200 176.669 -0.469 RESID 64 (A): CA 51.680 51.680 51.983 -0.303 RESID 64 (A): CB 18.140 18.140 18.586 -0.446 RESID 64 (A): H 7.686 7.686 7.981 -0.295 RESID 65 (K): N 112.200 112.200 113.997 -1.797 RESID 65 (K): C 176.000 176.000 176.478 -0.478 RESID 65 (K): CA 57.800 57.800 57.985 -0.185 RESID 65 (K): CB 27.730 27.730 29.908 -2.178 RESID 65 (K): H 7.751 7.751 7.676 0.075 RESID 66 (K): N 118.300 118.300 115.413 2.887 RESID 66 (K): C 176.600 176.600 177.124 -0.524 RESID 66 (K): CA 57.200 57.200 58.455 -1.255 RESID 66 (K): CB 32.170 32.170 33.008 -0.838 RESID 66 (K): H 8.415 8.415 7.785 0.630 RESID 67 (I): N 107.500 107.500 112.468 -4.968 RESID 67 (I): C 174.000 174.000 175.402 -1.402 RESID 67 (I): CA 59.050 59.050 59.032 0.017 RESID 67 (I): CB 40.470 40.470 41.044 -0.574 RESID 67 (I): H 7.034 7.034 7.240 -0.206 RESID 68 (D): N 119.000 119.000 121.903 -2.903 RESID 68 (D): C 172.200 172.200 175.771 -3.571 RESID 68 (D): CA 55.560 55.560 55.395 0.165 RESID 68 (D): CB 44.210 44.210 42.609 1.601 RESID 68 (D): H 9.739 9.739 8.604 1.135 RESID 69 (A): N 117.400 117.400 118.075 -0.675 RESID 69 (A): C 175.900 175.900 174.847 1.053 RESID 69 (A): CA 50.120 50.120 51.168 -1.048 RESID 69 (A): CB 21.960 21.960 22.122 -0.162 RESID 69 (A): H 7.660 7.660 7.649 0.011 RESID 70 (I): N 120.500 120.500 120.723 -0.223 RESID 70 (I): C 174.500 174.500 174.431 0.069 RESID 70 (I): CA 60.060 60.060 60.656 -0.596 RESID 70 (I): CB 41.190 41.190 40.992 0.198 RESID 70 (I): H 9.402 9.402 8.046 1.356 RESID 71 (M): N 128.300 128.300 129.167 -0.867 RESID 71 (M): C 172.500 172.500 174.128 -1.628 RESID 71 (M): CA 53.040 53.040 54.955 -1.915 RESID 71 (M): CB 33.940 33.940 34.526 -0.586 RESID 71 (M): H 8.431 8.431 8.279 0.152 RESID 72 (S): N 122.700 122.700 121.102 1.598 RESID 72 (S): C 172.800 172.800 173.764 -0.964 RESID 72 (S): CA 57.630 57.630 56.788 0.843 RESID 72 (S): CB 64.590 64.590 65.140 -0.550 RESID 72 (S): H 8.717 8.717 8.653 0.064 RESID 73 (S): N 120.600 120.600 116.278 4.322 RESID 73 (S): C 174.900 174.900 174.993 -0.093 RESID 73 (S): CA 58.590 58.590 59.490 -0.900 RESID 73 (S): CB 62.920 62.920 62.836 0.084 RESID 73 (S): H 8.570 8.570 8.656 -0.086 RESID 74 (L): N 120.700 120.700 124.057 -3.357 RESID 74 (L): C 175.300 175.300 176.079 -0.779 RESID 74 (L): CA 54.320 54.320 55.444 -1.124 RESID 74 (L): CB 42.350 42.350 42.843 -0.493 RESID 74 (L): H 8.678 8.678 7.472 1.206 RESID 75 (S): N 122.000 122.000 119.962 2.038 RESID 75 (S): C 174.500 174.500 173.649 0.851 RESID 75 (S): CA 59.250 59.250 56.899 2.351 RESID 75 (S): CB 63.060 63.060 64.814 -1.754 RESID 75 (S): H 8.142 8.142 7.903 0.239 RESID 76 (I): N 125.200 125.200 115.792 9.408 RESID 76 (I): C 175.500 175.500 174.451 1.049 RESID 76 (I): CA 61.340 61.340 59.672 1.669 RESID 76 (I): CB 35.790 35.790 39.659 -3.869 RESID 76 (I): H 8.307 8.307 8.232 0.075 RESID 77 (T): N 116.600 116.600 113.526 3.074 RESID 77 (T): C 174.800 174.800 175.064 -0.264 RESID 77 (T): CA 57.760 57.760 59.983 -2.223 RESID 77 (T): CB 71.570 71.570 72.303 -0.733 RESID 77 (T): H 6.513 6.513 7.526 -1.013 RESID 78 (E): N 124.500 124.500 124.913 -0.413 RESID 78 (E): C 179.500 179.500 177.887 1.613 RESID 78 (E): CA 59.140 59.140 60.859 -1.720 RESID 78 (E): CB 28.630 28.630 29.273 -0.643 RESID 78 (E): H 8.935 8.935 8.904 0.031 RESID 79 (K): N 118.400 118.400 118.311 0.089 RESID 79 (K): C 180.600 180.600 179.033 1.567 RESID 79 (K): CA 58.890 58.890 59.187 -0.297 RESID 79 (K): CB 31.610 31.610 32.298 -0.688 RESID 79 (K): H 8.415 8.415 8.366 0.049 RESID 80 (R): N 118.500 118.500 118.849 -0.349 RESID 80 (R): C 179.100 179.100 178.952 0.148 RESID 80 (R): CA 59.580 59.580 59.215 0.365 RESID 80 (R): CB 30.380 30.380 30.068 0.312 RESID 80 (R): H 7.678 7.678 7.398 0.280 RESID 81 (Q): N 119.000 119.000 119.795 -0.795 RESID 81 (Q): C 176.600 176.600 178.815 -2.215 RESID 81 (Q): CA 57.510 57.510 59.157 -1.647 RESID 81 (Q): CB 28.880 28.880 28.541 0.339 RESID 81 (Q): H 8.418 8.418 8.330 0.088 RESID 82 (Q): N 115.300 115.300 117.787 -2.487 RESID 82 (Q): C 177.400 177.400 177.898 -0.498 RESID 82 (Q): CA 57.280 57.280 58.466 -1.186 RESID 82 (Q): CB 27.950 27.950 28.463 -0.513 RESID 82 (Q): H 7.297 7.297 7.983 -0.686 RESID 83 (E): N 115.600 115.600 117.735 -2.135 RESID 83 (E): C 176.400 176.400 177.296 -0.896 RESID 83 (E): CA 56.950 56.950 58.366 -1.416 RESID 83 (E): CB 33.090 33.090 31.213 1.877 RESID 83 (E): H 7.627 7.627 7.929 -0.302 RESID 84 (I): N 115.100 115.100 111.882 3.218 RESID 84 (I): C 172.600 172.600 173.940 -1.340 RESID 84 (I): CA 59.380 59.380 58.898 0.482 RESID 84 (I): CB 40.830 40.830 41.530 -0.700 RESID 84 (I): H 8.275 8.275 7.982 0.293 RESID 85 (A): N 120.600 120.600 120.379 0.221 RESID 85 (A): C 175.000 175.000 175.271 -0.271 RESID 85 (A): CA 49.150 49.150 50.272 -1.122 RESID 85 (A): CB 22.280 22.280 21.422 0.858 RESID 85 (A): H 8.679 8.679 8.419 0.260 RESID 86 (F): N 115.500 115.500 119.139 -3.639 RESID 86 (F): C 178.800 178.800 175.816 2.984 RESID 86 (F): CA 55.850 55.850 56.922 -1.071 RESID 86 (F): CB 44.300 44.300 44.038 0.262 RESID 86 (F): H 8.283 8.283 8.622 -0.339 RESID 87 (T): N 108.200 108.200 114.977 -6.777 RESID 87 (T): C 174.700 174.700 173.804 0.896 RESID 87 (T): CA 61.930 61.930 61.154 0.776 RESID 87 (T): CB 72.740 72.740 70.088 2.652 RESID 87 (T): H 7.898 7.898 8.389 -0.491 RESID 88 (D): N 118.400 118.400 120.437 -2.037 RESID 88 (D): C 174.300 174.300 175.633 -1.333 RESID 88 (D): CA 55.030 55.030 55.788 -0.758 RESID 88 (D): CB 40.870 40.870 39.819 1.051 RESID 88 (D): H 8.789 8.789 8.805 -0.016 RESID 89 (K): N 118.100 118.100 116.609 1.491 RESID 89 (K): C 176.200 176.200 176.722 -0.522 RESID 89 (K): CA 55.570 55.570 57.279 -1.709 RESID 89 (K): CB 31.850 31.850 31.527 0.323 RESID 89 (K): H 7.666 7.666 7.689 -0.023 RESID 90 (L): N 123.400 123.400 126.362 -2.962 RESID 90 (L): C 178.000 178.000 177.752 0.248 RESID 90 (L): CA 54.450 54.450 57.337 -2.887 RESID 90 (L): CB 41.710 41.710 43.313 -1.603 RESID 90 (L): H 8.778 8.778 8.781 -0.003 RESID 91 (Y): N 110.500 110.500 110.031 0.469 RESID 91 (Y): C 172.600 172.600 173.672 -1.072 RESID 91 (Y): CA 56.070 56.070 55.569 0.501 RESID 91 (Y): CB 37.670 37.670 40.583 -2.913 RESID 91 (Y): H 6.810 6.810 7.207 -0.397 RESID 92 (A): N 123.100 123.100 122.538 0.562 RESID 92 (A): C 175.600 175.600 176.761 -1.161 RESID 92 (A): CA 51.940 51.940 51.079 0.861 RESID 92 (A): CB 20.320 20.320 19.620 0.700 RESID 92 (A): H 8.135 8.135 9.101 -0.966 RESID 93 (A): N 127.000 127.000 127.716 -0.716 RESID 93 (A): C 175.700 175.700 176.691 -0.991 RESID 93 (A): CA 51.020 51.020 50.691 0.329 RESID 93 (A): CB 18.310 18.310 18.328 -0.018 RESID 93 (A): H 8.658 8.658 8.398 0.260 RESID 94 (D): N 122.900 122.900 121.787 1.113 RESID 94 (D): C 175.300 175.300 176.120 -0.820 RESID 94 (D): CA 53.910 53.910 55.154 -1.244 RESID 94 (D): CB 42.030 42.030 42.260 -0.230 RESID 94 (D): H 8.497 8.497 7.737 0.760 RESID 95 (S): N 110.300 110.300 112.167 -1.867 RESID 95 (S): C 171.600 171.600 173.068 -1.468 RESID 95 (S): CA 57.850 57.850 57.405 0.445 RESID 95 (S): CB 66.410 66.410 66.523 -0.113 RESID 95 (S): H 6.844 6.844 7.876 -1.032 RESID 96 (R): N 124.300 124.300 119.775 4.525 RESID 96 (R): C 173.700 173.700 173.838 -0.138 RESID 96 (R): CA 57.450 57.450 55.905 1.545 RESID 96 (R): CB 34.070 34.070 34.356 -0.286 RESID 96 (R): H 9.227 9.227 8.768 0.459 RESID 97 (L): N 124.100 124.100 125.074 -0.974 RESID 97 (L): C 177.600 177.600 175.925 1.675 RESID 97 (L): CA 54.150 54.150 53.818 0.332 RESID 97 (L): CB 42.640 42.640 44.408 -1.768 RESID 97 (L): H 9.343 9.343 8.057 1.286 RESID 98 (V): N 124.500 124.500 123.745 0.755 RESID 98 (V): C 175.700 175.700 174.994 0.706 RESID 98 (V): CA 61.770 61.770 60.897 0.873 RESID 98 (V): CB 32.950 32.950 32.554 0.396 RESID 98 (V): H 9.500 9.500 8.032 1.468 RESID 99 (V): N 116.800 116.800 122.295 -5.495 RESID 99 (V): C 174.600 174.600 173.875 0.725 RESID 99 (V): CA 58.190 58.190 58.428 -0.238 RESID 99 (V): CB 36.780 36.780 35.559 1.221 RESID 99 (V): H 9.192 9.192 8.209 0.983 RESID 100 (A): N 123.400 123.400 122.554 0.846 RESID 100 (A): C 179.200 179.200 178.446 0.754 RESID 100 (A): CA 52.690 52.690 50.601 2.089 RESID 100 (A): CB 18.160 18.160 20.046 -1.885 RESID 100 (A): H 9.043 9.043 8.371 0.672 RESID 101 (K): N 119.600 119.600 123.604 -4.004 RESID 101 (K): C 176.800 176.800 177.008 -0.208 RESID 101 (K): CA 59.360 59.360 58.974 0.387 RESID 101 (K): CB 31.380 31.380 31.860 -0.480 RESID 101 (K): H 7.840 7.840 8.908 -1.068 RESID 102 (N): N 114.400 114.400 115.548 -1.148 RESID 102 (N): C 175.500 175.500 175.247 0.253 RESID 102 (N): CA 52.330 52.330 54.638 -2.308 RESID 102 (N): CB 36.990 36.990 38.609 -1.619 RESID 102 (N): H 7.941 7.941 8.173 -0.232 RESID 103 (S): N 114.800 114.800 114.657 0.143 RESID 103 (S): C 176.000 176.000 173.269 2.731 RESID 103 (S): CA 58.180 58.180 57.489 0.691 RESID 103 (S): CB 64.310 64.310 63.917 0.393 RESID 103 (S): H 7.700 7.700 7.619 0.081 RESID 104 (D): N 128.500 128.500 129.324 -0.824 RESID 104 (D): C 176.700 176.700 174.982 1.718 RESID 104 (D): CA 52.990 52.990 53.967 -0.976 RESID 104 (D): CB 40.330 40.330 40.901 -0.571 RESID 104 (D): H 8.548 8.548 8.547 0.001 RESID 105 (I): N 122.800 122.800 123.981 -1.181 RESID 105 (I): C 173.800 173.800 174.493 -0.693 RESID 105 (I): CA 63.580 63.580 60.378 3.202 RESID 105 (I): CB 37.490 37.490 40.479 -2.989 RESID 105 (I): H 7.826 7.826 8.139 -0.313 RESID 106 (Q): N 124.600 124.600 125.137 -0.537 RESID 106 (Q): C 174.700 174.700 174.002 0.698 RESID 106 (Q): CA 51.380 51.380 52.012 -0.632 RESID 106 (Q): CB 31.050 31.050 29.064 1.986 RESID 106 (Q): H 8.174 8.174 8.355 -0.181 RESID 107 (P): C 175.300 175.300 175.780 -0.480 RESID 107 (P): CA 61.880 61.880 63.685 -1.805 RESID 107 (P): CB 26.860 26.860 30.759 -3.899 RESID 108 (T): N 114.600 114.600 117.666 -3.066 RESID 108 (T): C 174.000 174.000 174.382 -0.382 RESID 108 (T): CA 57.690 57.690 61.592 -3.902 RESID 108 (T): CB 71.020 71.020 72.094 -1.074 RESID 108 (T): H 8.531 8.531 7.726 0.805 RESID 109 (V): N 121.800 121.800 123.567 -1.767 RESID 109 (V): C 177.300 177.300 176.926 0.374 RESID 109 (V): CA 65.600 65.600 64.751 0.849 RESID 109 (V): CB 30.580 30.580 32.768 -2.188 RESID 109 (V): H 8.775 8.775 8.489 0.286 RESID 110 (E): N 116.900 116.900 120.839 -3.939 RESID 110 (E): C 178.400 178.400 178.647 -0.247 RESID 110 (E): CA 59.260 59.260 60.141 -0.881 RESID 110 (E): CB 28.170 28.170 29.046 -0.876 RESID 110 (E): H 8.414 8.414 8.382 0.032 RESID 111 (S): N 113.200 113.200 113.445 -0.245 RESID 111 (S): C 176.500 176.500 175.922 0.578 RESID 111 (S): CA 59.370 59.370 60.987 -1.617 RESID 111 (S): CB 63.730 63.730 62.512 1.218 RESID 111 (S): H 7.387 7.387 8.438 -1.051 RESID 112 (L): N 116.100 116.100 120.389 -4.289 RESID 112 (L): C 176.700 176.700 176.698 0.002 RESID 112 (L): CA 54.580 54.580 55.377 -0.797 RESID 112 (L): CB 42.650 42.650 42.556 0.094 RESID 112 (L): H 7.676 7.676 7.322 0.354 RESID 113 (K): N 121.000 121.000 119.225 1.775 RESID 113 (K): C 178.200 178.200 177.495 0.705 RESID 113 (K): CA 58.850 58.850 58.239 0.612 RESID 113 (K): CB 30.850 30.850 32.236 -1.386 RESID 113 (K): H 7.445 7.445 7.752 -0.307 RESID 114 (G): N 113.900 113.900 112.945 0.955 RESID 114 (G): C 174.200 174.200 174.800 -0.600 RESID 114 (G): CA 45.240 45.240 45.355 -0.115 RESID 114 (G): H 8.454 8.454 8.351 0.103 RESID 115 (K): N 120.600 120.600 121.722 -1.122 RESID 115 (K): C 174.800 174.800 176.112 -1.312 RESID 115 (K): CA 53.710 53.710 54.774 -1.064 RESID 115 (K): CB 31.990 31.990 33.282 -1.292 RESID 115 (K): H 8.530 8.530 7.886 0.644 RESID 116 (R): N 119.300 119.300 120.773 -1.473 RESID 116 (R): C 176.000 176.000 175.439 0.561 RESID 116 (R): CA 54.720 54.720 55.671 -0.951 RESID 116 (R): CB 32.310 32.310 31.873 0.437 RESID 116 (R): H 9.455 9.455 8.441 1.014 RESID 117 (V): N 126.100 126.100 123.106 2.994 RESID 117 (V): C 175.300 175.300 174.927 0.373 RESID 117 (V): CA 60.090 60.090 60.222 -0.132 RESID 117 (V): CB 33.620 33.620 35.591 -1.971 RESID 117 (V): H 9.217 9.217 8.628 0.589 RESID 118 (G): N 114.000 114.000 113.685 0.315 RESID 118 (G): C 172.300 172.300 172.524 -0.224 RESID 118 (G): CA 45.010 45.010 43.629 1.381 RESID 118 (G): H 9.367 9.367 8.067 1.300 RESID 119 (V): N 116.400 116.400 122.419 -6.019 RESID 119 (V): C 174.100 174.100 174.011 0.089 RESID 119 (V): CA 58.270 58.270 60.438 -2.168 RESID 119 (V): CB 36.370 36.370 36.991 -0.621 RESID 119 (V): H 9.166 9.166 9.315 -0.149 RESID 120 (L): N 124.400 124.400 124.055 0.345 RESID 120 (L): C 176.900 176.900 175.669 1.231 RESID 120 (L): CA 53.690 53.690 53.952 -0.262 RESID 120 (L): CB 41.240 41.240 42.800 -1.560 RESID 120 (L): H 8.961 8.961 8.833 0.128 RESID 121 (Q): N 128.000 128.000 127.095 0.905 RESID 121 (Q): C 176.900 176.900 177.253 -0.353 RESID 121 (Q): CA 56.680 56.680 57.057 -0.377 RESID 121 (Q): CB 27.920 27.920 29.531 -1.611 RESID 121 (Q): H 9.305 9.305 9.001 0.304 RESID 122 (G): N 113.600 113.600 113.602 -0.002 RESID 122 (G): C 175.100 175.100 173.553 1.547 RESID 122 (G): CA 45.240 45.240 45.469 -0.229 RESID 122 (G): H 9.383 9.383 8.800 0.583 RESID 123 (T): N 108.400 108.400 110.131 -1.731 RESID 123 (T): C 176.800 176.800 174.441 2.359 RESID 123 (T): CA 60.260 60.260 59.960 0.300 RESID 123 (T): CB 73.530 73.530 70.691 2.839 RESID 123 (T): H 7.220 7.220 7.735 -0.515 RESID 124 (T): N 113.900 113.900 112.591 1.309 RESID 124 (T): C 178.100 178.100 176.519 1.581 RESID 124 (T): CA 63.990 63.990 64.651 -0.661 RESID 124 (T): CB 67.740 67.740 68.734 -0.994 RESID 124 (T): H 8.934 8.934 8.654 0.280 RESID 125 (Q): N 120.600 120.600 122.431 -1.831 RESID 125 (Q): C 178.300 178.300 178.089 0.211 RESID 125 (Q): CA 61.670 61.670 59.767 1.903 RESID 125 (Q): CB 25.310 25.310 28.050 -2.740 RESID 125 (Q): H 7.521 7.521 8.268 -0.747 RESID 126 (E): N 121.900 121.900 119.763 2.137 RESID 126 (E): C 177.600 177.600 178.897 -1.297 RESID 126 (E): CA 59.630 59.630 59.823 -0.193 RESID 126 (E): CB 28.730 28.730 29.638 -0.908 RESID 126 (E): H 7.717 7.717 7.813 -0.096 RESID 127 (T): N 117.800 117.800 116.247 1.553 RESID 127 (T): C 176.200 176.200 176.359 -0.159 RESID 127 (T): CA 66.340 66.340 66.859 -0.519 RESID 127 (T): CB 67.590 67.590 68.734 -1.144 RESID 127 (T): H 8.175 8.175 7.617 0.558 RESID 128 (F): N 121.900 121.900 121.970 -0.070 RESID 128 (F): C 178.000 178.000 177.533 0.467 RESID 128 (F): CA 61.590 61.590 60.746 0.844 RESID 128 (F): CB 38.810 38.810 38.931 -0.121 RESID 128 (F): H 8.882 8.882 8.608 0.274 RESID 129 (G): N 107.000 107.000 107.109 -0.109 RESID 129 (G): C 176.100 176.100 176.477 -0.377 RESID 129 (G): CA 46.690 46.690 47.206 -0.516 RESID 129 (G): H 8.900 8.900 9.161 -0.261 RESID 130 (N): N 123.000 123.000 118.466 4.534 RESID 130 (N): C 176.200 176.200 175.836 0.364 RESID 130 (N): CA 55.400 55.400 55.348 0.052 RESID 130 (N): CB 37.570 37.570 38.199 -0.629 RESID 130 (N): H 8.915 8.915 8.585 0.330 RESID 131 (E): N 119.000 119.000 116.716 2.284 RESID 131 (E): C 177.900 177.900 177.096 0.804 RESID 131 (E): CA 57.940 57.940 56.701 1.239 RESID 131 (E): CB 29.350 29.350 30.762 -1.412 RESID 131 (E): H 7.907 7.907 7.478 0.429 RESID 132 (H): N 112.600 112.600 118.655 -6.055 RESID 132 (H): C 175.900 175.900 175.558 0.342 RESID 132 (H): CA 56.910 56.910 58.809 -1.899 RESID 132 (H): CB 30.510 30.510 29.812 0.698 RESID 132 (H): H 7.877 7.877 7.880 -0.003 RESID 133 (W): N 119.300 119.300 117.453 1.847 RESID 133 (W): C 176.800 176.800 176.205 0.595 RESID 133 (W): CA 55.570 55.570 56.555 -0.985 RESID 133 (W): CB 30.400 30.400 29.714 0.686 RESID 133 (W): H 7.653 7.653 7.510 0.143 RESID 134 (A): N 125.400 125.400 124.637 0.763 RESID 134 (A): C 177.700 177.700 177.228 0.472 RESID 134 (A): CA 55.410 55.410 54.634 0.776 RESID 134 (A): CB 15.990 15.990 16.799 -0.809 RESID 134 (A): H 8.711 8.711 7.536 1.175 RESID 135 (P): C 177.200 177.200 177.405 -0.205 RESID 135 (P): CA 64.510 64.510 64.186 0.324 RESID 135 (P): CB 30.800 30.800 30.991 -0.191 RESID 136 (K): N 115.800 115.800 116.264 -0.464 RESID 136 (K): C 176.500 176.500 177.634 -1.134 RESID 136 (K): CA 53.530 53.530 55.928 -2.398 RESID 136 (K): CB 31.430 31.430 32.075 -0.645 RESID 136 (K): H 7.665 7.665 8.129 -0.464 RESID 137 (G): N 106.100 106.100 108.365 -2.265 RESID 137 (G): C 174.300 174.300 173.536 0.764 RESID 137 (G): CA 45.740 45.740 45.367 0.373 RESID 137 (G): H 7.864 7.864 7.663 0.201 RESID 138 (I): N 124.400 124.400 119.396 5.004 RESID 138 (I): C 174.400 174.400 174.769 -0.369 RESID 138 (I): CA 60.460 60.460 60.113 0.347 RESID 138 (I): CB 38.080 38.080 39.821 -1.741 RESID 138 (I): H 6.889 6.889 7.478 -0.589 RESID 139 (E): N 128.400 128.400 127.226 1.174 RESID 139 (E): C 173.900 173.900 175.086 -1.186 RESID 139 (E): CA 56.050 56.050 55.591 0.459 RESID 139 (E): CB 29.490 29.490 31.240 -1.750 RESID 139 (E): H 8.230 8.230 8.328 -0.098 RESID 140 (I): N 129.500 129.500 121.549 7.951 RESID 140 (I): C 176.100 176.100 174.717 1.383 RESID 140 (I): CA 57.100 57.100 59.011 -1.911 RESID 140 (I): CB 34.440 34.440 40.685 -6.245 RESID 140 (I): H 8.642 8.642 8.350 0.292 RESID 141 (V): N 133.000 133.000 124.919 8.081 RESID 141 (V): C 174.400 174.400 174.439 -0.039 RESID 141 (V): CA 61.060 61.060 61.146 -0.086 RESID 141 (V): CB 32.410 32.410 36.312 -3.902 RESID 141 (V): H 9.387 9.387 9.110 0.277 RESID 142 (S): N 122.900 122.900 120.205 2.695 RESID 142 (S): C 175.000 175.000 173.593 1.407 RESID 142 (S): CA 57.710 57.710 57.155 0.555 RESID 142 (S): CB 63.710 63.710 63.899 -0.189 RESID 142 (S): H 8.490 8.490 8.361 0.129 RESID 143 (Y): N 123.400 123.400 125.921 -2.521 RESID 143 (Y): C 175.900 175.900 176.440 -0.540 RESID 143 (Y): CA 57.300 57.300 57.657 -0.357 RESID 143 (Y): CB 42.300 42.300 41.384 0.916 RESID 143 (Y): H 8.979 8.979 9.328 -0.349 RESID 144 (Q): N 119.500 119.500 119.700 -0.200 RESID 144 (Q): C 176.000 176.000 174.975 1.025 RESID 144 (Q): CA 56.490 56.490 55.913 0.577 RESID 144 (Q): CB 28.470 28.470 29.918 -1.448 RESID 144 (Q): H 8.974 8.974 8.732 0.242 RESID 145 (G): N 106.800 106.800 107.294 -0.494 RESID 145 (G): C 173.500 173.500 174.156 -0.656 RESID 145 (G): CA 44.300 44.300 44.291 0.008 RESID 145 (G): H 7.531 7.531 7.856 -0.325 RESID 146 (Q): N 124.300 124.300 122.837 1.463 RESID 146 (Q): C 177.200 177.200 177.354 -0.154 RESID 146 (Q): CA 57.800 57.800 58.816 -1.016 RESID 146 (Q): CB 28.190 28.190 28.634 -0.444 RESID 146 (Q): H 8.949 8.949 8.861 0.088 RESID 147 (D): N 117.900 117.900 118.423 -0.523 RESID 147 (D): C 178.900 178.900 178.469 0.431 RESID 147 (D): CA 56.650 56.650 56.845 -0.195 RESID 147 (D): CB 38.890 38.890 39.742 -0.852 RESID 147 (D): H 8.746 8.746 8.782 -0.036 RESID 148 (N): N 117.500 117.500 117.785 -0.285 RESID 148 (N): C 176.700 176.700 177.355 -0.655 RESID 148 (N): CA 55.160 55.160 55.604 -0.444 RESID 148 (N): CB 38.700 38.700 38.095 0.605 RESID 148 (N): H 7.496 7.496 8.567 -1.071 RESID 149 (I): N 120.000 120.000 119.946 0.054 RESID 149 (I): C 177.400 177.400 177.521 -0.121 RESID 149 (I): CA 64.450 64.450 65.057 -0.607 RESID 149 (I): CB 35.900 35.900 37.588 -1.688 RESID 149 (I): H 6.793 6.793 7.184 -0.391 RESID 150 (Y): N 117.400 117.400 118.170 -0.770 RESID 150 (Y): C 178.800 178.800 178.054 0.746 RESID 150 (Y): CA 59.730 59.730 61.629 -1.899 RESID 150 (Y): CB 35.970 35.970 37.644 -1.674 RESID 150 (Y): H 6.897 6.897 7.379 -0.482 RESID 151 (S): N 117.000 117.000 114.935 2.065 RESID 151 (S): C 177.000 177.000 177.031 -0.031 RESID 151 (S): CA 61.300 61.300 61.694 -0.394 RESID 151 (S): CB 62.100 62.100 62.215 -0.116 RESID 151 (S): H 8.186 8.186 8.269 -0.083 RESID 152 (D): N 122.300 122.300 123.154 -0.854 RESID 152 (D): C 179.000 179.000 178.296 0.704 RESID 152 (D): CA 56.580 56.580 56.835 -0.255 RESID 152 (D): CB 38.240 38.240 40.389 -2.148 RESID 152 (D): H 7.541 7.541 7.695 -0.154 RESID 153 (L): N 124.100 124.100 121.252 2.848 RESID 153 (L): C 180.300 180.300 178.507 1.793 RESID 153 (L): CA 58.160 58.160 57.535 0.625 RESID 153 (L): CB 41.630 41.630 41.827 -0.197 RESID 153 (L): H 8.372 8.372 7.767 0.605 RESID 154 (T): N 111.900 111.900 113.396 -1.496 RESID 154 (T): C 176.700 176.700 175.361 1.339 RESID 154 (T): CA 63.920 63.920 65.428 -1.508 RESID 154 (T): CB 68.700 68.700 69.013 -0.312 RESID 154 (T): H 8.389 8.389 8.309 0.080 RESID 155 (A): N 121.800 121.800 120.103 1.697 RESID 155 (A): C 178.200 178.200 178.033 0.167 RESID 155 (A): CA 51.640 51.640 52.310 -0.670 RESID 155 (A): CB 18.990 18.990 19.433 -0.443 RESID 155 (A): H 7.444 7.444 7.077 0.367 RESID 156 (G): N 107.800 107.800 107.190 0.610 RESID 156 (G): C 175.100 175.100 175.374 -0.274 RESID 156 (G): CA 45.420 45.420 45.202 0.218 RESID 156 (G): H 7.921 7.921 7.947 -0.026 RESID 157 (R): N 119.000 119.000 119.177 -0.177 RESID 157 (R): C 176.600 176.600 175.707 0.893 RESID 157 (R): CA 57.260 57.260 57.590 -0.330 RESID 157 (R): CB 30.400 30.400 30.759 -0.359 RESID 157 (R): H 8.443 8.443 8.130 0.313 RESID 158 (I): N 108.900 108.900 112.924 -4.024 RESID 158 (I): C 173.700 173.700 174.308 -0.608 RESID 158 (I): CA 59.900 59.900 59.222 0.678 RESID 158 (I): CB 40.070 40.070 41.001 -0.931 RESID 158 (I): H 7.109 7.109 7.121 -0.012 RESID 159 (D): N 119.100 119.100 123.948 -4.848 RESID 159 (D): C 174.700 174.700 175.645 -0.945 RESID 159 (D): CA 55.900 55.900 56.351 -0.451 RESID 159 (D): CB 43.630 43.630 41.714 1.916 RESID 159 (D): H 8.737 8.737 8.542 0.195 RESID 160 (A): N 116.400 116.400 116.431 -0.031 RESID 160 (A): C 174.900 174.900 174.323 0.577 RESID 160 (A): CA 50.190 50.190 51.477 -1.287 RESID 160 (A): CB 23.030 23.030 21.372 1.659 RESID 160 (A): H 7.702 7.702 7.158 0.544 RESID 161 (A): N 123.400 123.400 121.784 1.616 RESID 161 (A): C 175.500 175.500 175.679 -0.179 RESID 161 (A): CA 49.730 49.730 50.264 -0.534 RESID 161 (A): CB 21.110 21.110 21.601 -0.491 RESID 161 (A): H 8.915 8.915 7.993 0.922 RESID 162 (F): N 125.100 125.100 122.521 2.579 RESID 162 (F): C 172.900 172.900 175.020 -2.120 RESID 162 (F): CA 54.500 54.500 58.198 -3.698 RESID 162 (F): CB 39.400 39.400 38.805 0.595 RESID 162 (F): H 8.971 8.971 8.492 0.479 RESID 163 (Q): N 124.600 124.600 123.375 1.225 RESID 163 (Q): C 173.400 173.400 173.702 -0.302 RESID 163 (Q): CA 53.550 53.550 53.641 -0.091 RESID 163 (Q): CB 34.390 34.390 33.138 1.252 RESID 163 (Q): H 7.904 7.904 8.290 -0.386 RESID 164 (D): N 122.300 122.300 121.261 1.039 RESID 164 (D): C 175.800 175.800 177.254 -1.454 RESID 164 (D): CA 55.540 55.540 54.452 1.088 RESID 164 (D): CB 42.370 42.370 42.054 0.316 RESID 164 (D): H 8.304 8.304 8.438 -0.134 RESID 165 (E): N 128.600 128.600 122.748 5.852 RESID 165 (E): C 177.700 177.700 178.113 -0.413 RESID 165 (E): CA 60.230 60.230 60.127 0.103 RESID 165 (E): CB 30.020 30.020 29.826 0.194 RESID 165 (E): H 8.605 8.605 8.761 -0.156 RESID 166 (V): N 120.100 120.100 118.847 1.253 RESID 166 (V): C 178.300 178.300 177.278 1.022 RESID 166 (V): CA 66.800 66.800 66.685 0.115 RESID 166 (V): CB 30.070 30.070 30.258 -0.188 RESID 166 (V): H 8.748 8.748 8.194 0.554 RESID 167 (A): N 123.200 123.200 120.056 3.144 RESID 167 (A): C 182.500 182.500 179.080 3.420 RESID 167 (A): CA 54.980 54.980 54.712 0.268 RESID 167 (A): CB 17.910 17.910 18.030 -0.121 RESID 167 (A): H 8.655 8.655 7.899 0.756 RESID 168 (A): N 121.300 121.300 122.162 -0.862 RESID 168 (A): C 179.800 179.800 179.734 0.066 RESID 168 (A): CA 54.180 54.180 54.536 -0.356 RESID 168 (A): CB 18.750 18.750 18.414 0.336 RESID 168 (A): H 8.349 8.349 7.890 0.459 RESID 169 (S): N 113.400 113.400 114.439 -1.039 RESID 169 (S): C 175.700 175.700 176.187 -0.487 RESID 169 (S): CA 61.050 61.050 62.553 -1.502 RESID 169 (S): CB 63.050 63.050 62.650 0.400 RESID 169 (S): H 8.058 8.058 8.107 -0.049 RESID 170 (E): N 115.600 115.600 120.103 -4.503 RESID 170 (E): C 178.800 178.800 177.232 1.568 RESID 170 (E): CA 57.610 57.610 58.007 -0.397 RESID 170 (E): CB 29.790 29.790 29.046 0.744 RESID 170 (E): H 8.824 8.824 7.821 1.003 RESID 171 (G): N 103.400 103.400 104.630 -1.230 RESID 171 (G): C 173.700 173.700 174.986 -1.286 RESID 171 (G): CA 44.970 44.970 45.229 -0.259 RESID 171 (G): H 8.154 8.154 7.347 0.807 RESID 172 (F): N 120.100 120.100 122.520 -2.420 RESID 172 (F): C 175.200 175.200 177.684 -2.484 RESID 172 (F): CA 60.690 60.690 61.164 -0.475 RESID 172 (F): CB 40.740 40.740 39.084 1.656 RESID 172 (F): H 7.297 7.297 8.364 -1.067 RESID 173 (L): N 117.800 117.800 117.728 0.072 RESID 173 (L): C 179.000 179.000 178.292 0.708 RESID 173 (L): CA 57.670 57.670 56.861 0.809 RESID 173 (L): CB 40.020 40.020 41.832 -1.812 RESID 173 (L): H 8.470 8.470 7.523 0.947 RESID 174 (K): N 114.600 114.600 116.452 -1.852 RESID 174 (K): C 176.900 176.900 176.362 0.538 RESID 174 (K): CA 56.450 56.450 57.283 -0.833 RESID 174 (K): CB 31.770 31.770 32.667 -0.897 RESID 174 (K): H 8.018 8.018 7.554 0.464 RESID 175 (Q): N 118.800 118.800 117.084 1.716 RESID 175 (Q): C 176.000 176.000 173.949 2.051 RESID 175 (Q): CA 52.510 52.510 52.214 0.296 RESID 175 (Q): CB 26.740 26.740 29.797 -3.057 RESID 175 (Q): H 7.151 7.151 7.286 -0.135 RESID 176 (P): C 179.300 179.300 177.337 1.963 RESID 176 (P): CA 66.100 66.100 65.430 0.670 RESID 176 (P): CB 30.720 30.720 31.531 -0.811 RESID 177 (V): N 112.300 112.300 117.252 -4.952 RESID 177 (V): C 175.900 175.900 177.892 -1.992 RESID 177 (V): CA 62.860 62.860 65.937 -3.077 RESID 177 (V): CB 30.660 30.660 30.571 0.089 RESID 177 (V): H 7.480 7.480 7.692 -0.212 RESID 178 (G): N 109.700 109.700 105.762 3.938 RESID 178 (G): C 175.000 175.000 174.790 0.210 RESID 178 (G): CA 44.080 44.080 46.242 -2.162 RESID 178 (G): H 7.173 7.173 7.902 -0.729 RESID 179 (K): N 120.900 120.900 119.089 1.811 RESID 179 (K): C 177.100 177.100 177.666 -0.566 RESID 179 (K): CA 58.360 58.360 58.453 -0.093 RESID 179 (K): CB 31.260 31.260 32.287 -1.027 RESID 179 (K): H 6.972 6.972 7.399 -0.427 RESID 180 (D): N 117.200 117.200 117.274 -0.074 RESID 180 (D): C 173.900 173.900 175.865 -1.965 RESID 180 (D): CA 53.920 53.920 55.867 -1.947 RESID 180 (D): CB 39.690 39.690 41.364 -1.674 RESID 180 (D): H 8.036 8.036 7.448 0.588 RESID 181 (Y): N 120.500 120.500 114.965 5.535 RESID 181 (Y): C 172.300 172.300 173.479 -1.179 RESID 181 (Y): CA 57.890 57.890 57.738 0.152 RESID 181 (Y): CB 41.860 41.860 42.335 -0.475 RESID 181 (Y): H 7.768 7.768 7.448 0.320 RESID 182 (K): N 116.900 116.900 118.699 -1.799 RESID 182 (K): C 174.900 174.900 174.275 0.625 RESID 182 (K): CA 54.330 54.330 56.447 -2.117 RESID 182 (K): CB 35.610 35.610 33.373 2.237 RESID 182 (K): H 9.497 9.497 8.836 0.661 RESID 183 (F): N 117.900 117.900 121.096 -3.196 RESID 183 (F): C 177.800 177.800 175.121 2.679 RESID 183 (F): CA 56.780 56.780 57.906 -1.126 RESID 183 (F): CB 38.320 38.320 42.987 -4.668 RESID 183 (F): H 8.470 8.470 8.113 0.357 RESID 184 (G): N 113.700 113.700 108.986 4.714 RESID 184 (G): C 173.300 173.300 174.870 -1.570 RESID 184 (G): CA 46.900 46.900 44.913 1.987 RESID 184 (G): H 9.107 9.107 8.819 0.288 RESID 185 (G): N 111.000 111.000 108.802 2.198 RESID 185 (G): C 171.100 171.100 172.848 -1.748 RESID 185 (G): CA 44.530 44.530 45.464 -0.934 RESID 185 (G): H 7.702 7.702 8.252 -0.550 RESID 186 (P): C 175.500 175.500 176.197 -0.697 RESID 186 (P): CA 61.920 61.920 64.441 -2.521 RESID 186 (P): CB 32.640 32.640 31.858 0.781 RESID 187 (S): N 113.500 113.500 120.112 -6.612 RESID 187 (S): C 173.500 173.500 173.823 -0.323 RESID 187 (S): CA 57.930 57.930 57.476 0.454 RESID 187 (S): CB 63.260 63.260 65.654 -2.394 RESID 187 (S): H 8.452 8.452 8.332 0.120 RESID 188 (V): N 123.300 123.300 121.753 1.547 RESID 188 (V): C 173.900 173.900 173.611 0.289 RESID 188 (V): CA 61.800 61.800 62.341 -0.541 RESID 188 (V): CB 32.680 32.680 34.658 -1.978 RESID 188 (V): H 9.080 9.080 7.831 1.249 RESID 189 (K): N 125.200 125.200 122.404 2.796 RESID 189 (K): C 176.700 176.700 174.072 2.628 RESID 189 (K): CA 54.680 54.680 56.181 -1.501 RESID 189 (K): CB 33.780 33.780 34.700 -0.920 RESID 189 (K): H 8.123 8.123 8.132 -0.009 RESID 190 (D): N 120.300 120.300 122.048 -1.748 RESID 190 (D): C 175.300 175.300 176.895 -1.595 RESID 190 (D): CA 55.610 55.610 53.401 2.209 RESID 190 (D): CB 42.620 42.620 40.438 2.182 RESID 190 (D): H 8.823 8.823 8.269 0.554 RESID 191 (E): N 129.100 129.100 126.611 2.489 RESID 191 (E): C 177.300 177.300 177.582 -0.282 RESID 191 (E): CA 59.310 59.310 58.481 0.829 RESID 191 (E): CB 28.420 28.420 29.524 -1.104 RESID 191 (E): H 9.239 9.239 8.857 0.382 RESID 192 (K): N 118.000 118.000 119.273 -1.273 RESID 192 (K): C 178.200 178.200 178.038 0.162 RESID 192 (K): CA 58.140 58.140 58.917 -0.777 RESID 192 (K): CB 31.690 31.690 32.145 -0.455 RESID 192 (K): H 7.918 7.918 8.784 -0.866 RESID 193 (L): N 118.200 118.200 117.964 0.236 RESID 193 (L): C 177.700 177.700 177.616 0.084 RESID 193 (L): CA 55.790 55.790 56.904 -1.114 RESID 193 (L): CB 42.330 42.330 42.078 0.252 RESID 193 (L): H 8.362 8.362 7.147 1.215 RESID 194 (F): N 116.800 116.800 113.349 3.451 RESID 194 (F): C 178.200 178.200 175.837 2.363 RESID 194 (F): CA 54.620 54.620 57.477 -2.857 RESID 194 (F): CB 37.390 37.390 39.939 -2.549 RESID 194 (F): H 8.036 8.036 7.300 0.736 RESID 195 (G): N 106.900 106.900 108.832 -1.932 RESID 195 (G): C 174.200 174.200 174.563 -0.363 RESID 195 (G): CA 44.120 44.120 44.895 -0.776 RESID 195 (G): H 7.510 7.510 7.655 -0.145 RESID 196 (V): N 112.400 112.400 123.824 -11.424 RESID 196 (V): C 175.300 175.300 175.826 -0.526 RESID 196 (V): CA 60.720 60.720 64.011 -3.292 RESID 196 (V): CB 30.630 30.630 32.149 -1.519 RESID 196 (V): H 8.064 8.064 8.333 -0.269 RESID 197 (G): N 108.100 108.100 104.891 3.209 RESID 197 (G): C 172.300 172.300 172.203 0.097 RESID 197 (G): CA 43.210 43.210 45.291 -2.081 RESID 197 (G): H 7.788 7.788 7.300 0.488 RESID 198 (T): N 109.200 109.200 113.705 -4.505 RESID 198 (T): C 172.800 172.800 173.231 -0.431 RESID 198 (T): CA 59.090 59.090 59.420 -0.330 RESID 198 (T): CB 71.080 71.080 71.632 -0.552 RESID 198 (T): H 7.796 7.796 7.841 -0.045 RESID 199 (G): N 103.900 103.900 108.057 -4.157 RESID 199 (G): C 171.800 171.800 172.317 -0.517 RESID 199 (G): CA 43.840 43.840 45.779 -1.939 RESID 199 (G): H 7.928 7.928 7.804 0.124 RESID 200 (M): N 121.400 121.400 119.408 1.992 RESID 200 (M): C 176.200 176.200 176.046 0.154 RESID 200 (M): CA 55.260 55.260 54.822 0.438 RESID 200 (M): CB 33.390 33.390 35.610 -2.220 RESID 200 (M): H 7.971 7.971 8.215 -0.244 RESID 201 (G): N 112.200 112.200 110.377 1.823 RESID 201 (G): C 172.000 172.000 172.686 -0.686 RESID 201 (G): CA 44.540 44.540 44.297 0.243 RESID 201 (G): H 8.818 8.818 8.449 0.369 RESID 202 (L): N 124.700 124.700 124.931 -0.231 RESID 202 (L): C 176.000 176.000 175.945 0.055 RESID 202 (L): CA 53.740 53.740 52.842 0.898 RESID 202 (L): CB 46.010 46.010 45.981 0.029 RESID 202 (L): H 8.767 8.767 8.671 0.096 RESID 203 (R): N 121.600 121.600 120.062 1.538 RESID 203 (R): C 180.400 180.400 177.910 2.490 RESID 203 (R): CA 57.130 57.130 55.436 1.694 RESID 203 (R): CB 29.650 29.650 31.300 -1.650 RESID 203 (R): H 10.270 10.270 8.121 2.149 RESID 204 (K): N 123.200 123.200 124.412 -1.212 RESID 204 (K): C 178.200 178.200 177.671 0.529 RESID 204 (K): CA 59.570 59.570 59.683 -0.113 RESID 204 (K): CB 31.840 31.840 32.151 -0.311 RESID 204 (K): H 9.231 9.231 8.672 0.559 RESID 205 (E): N 113.800 113.800 117.100 -3.300 RESID 205 (E): C 177.700 177.700 177.875 -0.175 RESID 205 (E): CA 57.230 57.230 58.219 -0.989 RESID 205 (E): CB 27.770 27.770 28.896 -1.126 RESID 205 (E): H 9.026 9.026 8.229 0.797 RESID 206 (D): N 126.000 126.000 120.873 5.127 RESID 206 (D): C 177.300 177.300 176.512 0.788 RESID 206 (D): CA 53.710 53.710 53.659 0.051 RESID 206 (D): CB 37.530 37.530 38.691 -1.161 RESID 206 (D): H 7.253 7.253 8.045 -0.792 RESID 207 (N): N 120.100 120.100 120.457 -0.357 RESID 207 (N): C 176.900 176.900 177.004 -0.104 RESID 207 (N): CA 56.950 56.950 56.436 0.514 RESID 207 (N): CB 38.820 38.820 38.895 -0.075 RESID 207 (N): H 7.839 7.839 8.726 -0.887 RESID 208 (E): N 120.500 120.500 118.972 1.528 RESID 208 (E): C 179.900 179.900 178.463 1.437 RESID 208 (E): CA 59.870 59.870 58.976 0.894 RESID 208 (E): CB 27.630 27.630 29.445 -1.815 RESID 208 (E): H 8.776 8.776 8.332 0.444 RESID 209 (L): N 122.900 122.900 120.443 2.457 RESID 209 (L): C 177.100 177.100 178.213 -1.113 RESID 209 (L): CA 57.400 57.400 57.546 -0.146 RESID 209 (L): CB 40.660 40.660 41.834 -1.174 RESID 209 (L): H 8.366 8.366 7.862 0.504 RESID 210 (R): N 119.100 119.100 118.745 0.355 RESID 210 (R): C 177.400 177.400 178.228 -0.828 RESID 210 (R): CA 59.970 59.970 59.733 0.237 RESID 210 (R): CB 30.110 30.110 30.026 0.084 RESID 210 (R): H 7.582 7.582 8.315 -0.733 RESID 211 (E): N 116.200 116.200 119.249 -3.049 RESID 211 (E): C 179.800 179.800 178.534 1.266 RESID 211 (E): CA 59.150 59.150 59.260 -0.110 RESID 211 (E): CB 28.600 28.600 29.598 -0.998 RESID 211 (E): H 8.407 8.407 7.870 0.537 RESID 212 (A): N 123.500 123.500 122.689 0.811 RESID 212 (A): C 181.300 181.300 179.649 1.651 RESID 212 (A): CA 54.810 54.810 54.704 0.106 RESID 212 (A): CB 17.170 17.170 18.139 -0.969 RESID 212 (A): H 8.128 8.128 7.635 0.493 RESID 213 (L): N 121.200 121.200 119.624 1.576 RESID 213 (L): C 178.400 178.400 179.618 -1.218 RESID 213 (L): CA 57.710 57.710 58.199 -0.489 RESID 213 (L): CB 41.450 41.450 41.214 0.236 RESID 213 (L): H 8.364 8.364 8.048 0.316 RESID 214 (N): N 119.200 119.200 116.475 2.725 RESID 214 (N): C 179.700 179.700 177.856 1.844 RESID 214 (N): CA 55.260 55.260 55.882 -0.622 RESID 214 (N): CB 37.120 37.120 37.917 -0.797 RESID 214 (N): H 8.435 8.435 8.328 0.107 RESID 215 (K): N 123.800 123.800 121.321 2.479 RESID 215 (K): C 178.400 178.400 178.518 -0.118 RESID 215 (K): CA 59.090 59.090 59.395 -0.305 RESID 215 (K): CB 31.740 31.740 32.481 -0.741 RESID 215 (K): H 8.080 8.080 8.448 -0.368 RESID 216 (A): N 122.200 122.200 121.748 0.452 RESID 216 (A): C 179.500 179.500 179.509 -0.009 RESID 216 (A): CA 54.140 54.140 54.886 -0.746 RESID 216 (A): CB 18.700 18.700 18.267 0.433 RESID 216 (A): H 7.935 7.935 8.240 -0.305 RESID 217 (F): N 119.500 119.500 120.120 -0.620 RESID 217 (F): C 177.200 177.200 176.981 0.219 RESID 217 (F): CA 61.390 61.390 60.311 1.079 RESID 217 (F): CB 38.000 38.000 39.072 -1.073 RESID 217 (F): H 8.916 8.916 8.327 0.589 RESID 218 (A): N 121.300 121.300 121.204 0.096 RESID 218 (A): C 182.100 182.100 179.676 2.424 RESID 218 (A): CA 54.810 54.810 55.202 -0.392 RESID 218 (A): CB 16.650 16.650 17.993 -1.343 RESID 218 (A): H 7.956 7.956 8.140 -0.184 RESID 219 (E): N 120.000 120.000 119.028 0.972 RESID 219 (E): C 178.600 178.600 179.006 -0.406 RESID 219 (E): CA 59.040 59.040 59.313 -0.273 RESID 219 (E): CB 28.320 28.320 29.482 -1.162 RESID 219 (E): H 7.952 7.952 7.838 0.114 RESID 220 (M): N 120.900 120.900 118.110 2.790 RESID 220 (M): C 179.000 179.000 178.534 0.466 RESID 220 (M): CA 57.430 57.430 59.475 -2.045 RESID 220 (M): CB 32.620 32.620 32.452 0.168 RESID 220 (M): H 8.190 8.190 8.123 0.067 RESID 221 (R): N 119.200 119.200 118.373 0.827 RESID 221 (R): C 179.300 179.300 178.890 0.410 RESID 221 (R): CA 58.710 58.710 58.931 -0.221 RESID 221 (R): CB 27.480 27.480 29.859 -2.379 RESID 221 (R): H 7.762 7.762 7.506 0.256 RESID 222 (A): N 122.500 122.500 122.102 0.398 RESID 222 (A): C 179.300 179.300 178.933 0.367 RESID 222 (A): CA 54.180 54.180 54.629 -0.449 RESID 222 (A): CB 18.030 18.030 18.547 -0.517 RESID 222 (A): H 7.838 7.838 7.742 0.096 RESID 223 (D): N 115.100 115.100 114.699 0.401 RESID 223 (D): C 177.900 177.900 177.265 0.635 RESID 223 (D): CA 53.020 53.020 53.136 -0.116 RESID 223 (D): CB 39.570 39.570 40.435 -0.865 RESID 223 (D): H 8.091 8.091 7.982 0.109 RESID 224 (G): N 106.700 106.700 108.826 -2.126 RESID 224 (G): C 176.000 176.000 176.007 -0.007 RESID 224 (G): CA 45.070 45.070 46.312 -1.242 RESID 224 (G): H 7.199 7.199 7.426 -0.227 RESID 225 (T): N 122.400 122.400 117.153 5.247 RESID 225 (T): C 175.700 175.700 175.325 0.375 RESID 225 (T): CA 67.610 67.610 67.870 -0.259 RESID 225 (T): CB 66.840 66.840 68.759 -1.919 RESID 225 (T): H 9.095 9.095 8.755 0.340 RESID 226 (Y): N 121.500 121.500 121.706 -0.206 RESID 226 (Y): C 176.000 176.000 176.906 -0.906 RESID 226 (Y): CA 62.530 62.530 62.363 0.167 RESID 226 (Y): CB 38.410 38.410 38.329 0.081 RESID 226 (Y): H 8.040 8.040 7.640 0.400 RESID 227 (E): N 118.200 118.200 118.722 -0.522 RESID 227 (E): C 178.200 178.200 178.698 -0.498 RESID 227 (E): CA 58.940 58.940 59.488 -0.548 RESID 227 (E): CB 28.810 28.810 29.122 -0.312 RESID 227 (E): H 8.153 8.153 8.594 -0.441 RESID 228 (K): N 119.100 119.100 120.376 -1.276 RESID 228 (K): C 179.500 179.500 179.061 0.439 RESID 228 (K): CA 59.260 59.260 59.498 -0.238 RESID 228 (K): CB 31.520 31.520 32.418 -0.898 RESID 228 (K): H 7.558 7.558 8.390 -0.832 RESID 229 (L): N 119.100 119.100 119.364 -0.264 RESID 229 (L): C 179.300 179.300 178.835 0.465 RESID 229 (L): CA 56.970 56.970 57.705 -0.735 RESID 229 (L): CB 41.520 41.520 41.854 -0.334 RESID 229 (L): H 8.055 8.055 8.068 -0.013 RESID 230 (A): N 121.200 121.200 122.158 -0.958 RESID 230 (A): C 180.500 180.500 179.263 1.237 RESID 230 (A): CA 54.890 54.890 55.550 -0.660 RESID 230 (A): CB 17.570 17.570 17.751 -0.181 RESID 230 (A): H 8.901 8.901 8.332 0.569 RESID 231 (K): N 117.200 117.200 118.027 -0.827 RESID 231 (K): C 177.700 177.700 178.158 -0.458 RESID 231 (K): CA 57.370 57.370 58.799 -1.429 RESID 231 (K): CB 31.330 31.330 32.361 -1.031 RESID 231 (K): H 8.062 8.062 8.110 -0.048 RESID 232 (K): N 117.600 117.600 116.689 0.911 RESID 232 (K): C 176.800 176.800 179.188 -2.388 RESID 232 (K): CA 57.890 57.890 58.640 -0.750 RESID 232 (K): CB 31.150 31.150 32.556 -1.407 RESID 232 (K): H 7.053 7.053 7.458 -0.405 RESID 233 (Y): N 114.000 114.000 117.016 -3.016 RESID 233 (Y): C 175.100 175.100 175.781 -0.681 RESID 233 (Y): CA 58.110 58.110 61.222 -3.112 RESID 233 (Y): CB 39.360 39.360 38.957 0.403 RESID 233 (Y): H 7.013 7.013 8.006 -0.993 RESID 234 (F): N 116.400 116.400 113.531 2.869 RESID 234 (F): C 175.800 175.800 173.435 2.365 RESID 234 (F): CA 54.920 54.920 56.731 -1.811 RESID 234 (F): CB 41.260 41.260 42.826 -1.566 RESID 234 (F): H 8.038 8.038 8.202 -0.164 RESID 235 (D): N 123.000 123.000 120.707 2.293 RESID 235 (D): C 174.500 174.500 175.099 -0.599 RESID 235 (D): CA 52.680 52.680 53.415 -0.735 RESID 235 (D): CB 39.860 39.860 39.764 0.096 RESID 235 (D): H 8.879 8.879 8.636 0.243 RESID 236 (F): N 115.500 115.500 122.195 -6.695 RESID 236 (F): C 173.600 173.600 173.599 0.001 RESID 236 (F): CA 53.950 53.950 56.289 -2.339 RESID 236 (F): CB 39.860 39.860 39.739 0.121 RESID 236 (F): H 6.793 6.793 7.484 -0.691 RESID 237 (D): N 119.700 119.700 121.981 -2.281 RESID 237 (D): C 175.800 175.800 177.105 -1.305 RESID 237 (D): CA 52.980 52.980 52.641 0.339 RESID 237 (D): CB 39.210 39.210 41.806 -2.596 RESID 237 (D): H 8.831 8.831 8.621 0.210 RESID 238 (V): N 129.900 129.900 122.513 7.387 RESID 238 (V): C 175.200 175.200 176.712 -1.512 RESID 238 (V): CA 61.840 61.840 65.057 -3.217 RESID 238 (V): CB 32.500 32.500 31.876 0.624 RESID 238 (V): H 7.376 7.376 8.330 -0.954 RESID 239 (Y): N 123.500 123.500 119.138 4.362 RESID 239 (Y): C 176.500 176.500 178.564 -2.064 RESID 239 (Y): CA 61.920 61.920 61.137 0.783 RESID 239 (Y): CB 38.010 38.010 37.733 0.277 RESID 239 (Y): H 8.314 8.314 7.829 0.485 RESID 240 (G): N 104.100 104.100 104.337 -0.237 RESID 240 (G): C 174.600 174.600 174.906 -0.306 RESID 240 (G): CA 45.930 45.930 45.320 0.610 RESID 240 (G): H 7.428 7.428 8.413 -0.985 N HA C CA CB H RESID 6 (P): ----- ----- -0.718 -0.625 -0.727 ----- RESID 7 (Q): -0.369 ----- -0.426 -0.635 -0.632 -0.307 RESID 8 (N): 1.989 ----- -0.259 -0.649 -1.393 -0.334 RESID 9 (I): -1.777 ----- -0.236 -0.589 -0.494 -0.734 RESID 10 (R): -0.606 ----- 0.320 -1.421 -0.643 0.522 RESID 11 (I): 2.571 ----- 0.499 0.067 -4.165 0.195 RESID 12 (G): 0.586 ----- -1.314 0.246 ----- 0.846 RESID 13 (T): -1.129 ----- 8.523 -0.555 -1.712 0.607 RESID 14 (D): -0.854 ----- 2.846 -0.483 -1.671 -0.477 RESID 15 (P): ----- ----- -1.105 -1.433 -4.463 ----- RESID 16 (T): 5.562 ----- 0.702 -2.467 -1.230 0.493 RESID 17 (Y): 3.922 ----- -0.441 -1.938 0.229 0.897 RESID 18 (A): 2.426 ----- -0.456 -4.581 -0.187 0.021 RESID 19 (P): ----- ----- -4.319 -2.349 0.194 ----- RESID 20 (F): 7.719 ----- 1.618 2.753 -3.083 -0.134 RESID 21 (E): -2.760 ----- -0.834 -0.796 -5.391 -0.757 RESID 22 (S): 4.120 ----- -0.781 -1.295 -1.169 0.452 RESID 23 (K): -2.002 ----- 2.546 -1.636 -1.852 -0.000 RESID 24 (N): 1.542 ----- 0.974 -1.238 -1.992 0.001 RESID 25 (S): ----- ----- -0.030 0.051 -0.106 ----- RESID 26 (Q): -0.177 ----- -0.603 -0.486 -0.448 -0.867 RESID 27 (G): 1.152 ----- -0.368 -0.029 ----- 0.321 RESID 28 (E): 0.534 ----- 0.138 -1.445 -0.851 -0.218 RESID 29 (L): 2.368 ----- 1.066 0.504 -1.682 0.036 RESID 30 (V): -4.188 ----- 1.852 -1.665 0.194 1.295 RESID 31 (G): -0.191 ----- 0.922 -1.314 ----- 1.091 RESID 32 (F): -2.653 ----- 2.056 -0.889 -0.314 0.176 RESID 33 (D): -2.599 ----- 1.045 -0.388 -1.672 1.598 RESID 34 (I): -0.992 ----- 0.241 -3.803 -4.225 -1.191 RESID 35 (D): 0.667 ----- 1.615 -0.310 0.126 0.698 RESID 36 (L): -0.335 ----- 0.509 -0.049 0.638 1.279 RESID 37 (A): -1.425 ----- -0.980 -0.057 -1.121 0.728 RESID 38 (K): -2.969 ----- 0.983 0.500 -0.549 0.626 RESID 39 (E): 2.042 ----- -1.074 -0.887 -1.506 -0.074 RESID 40 (L): 1.109 ----- -0.095 0.233 -1.527 0.747 RESID 41 (C): -2.756 ----- -1.660 -0.372 21.392 0.030 RESID 42 (K): -0.315 ----- 1.678 -0.633 -0.928 -0.533 RESID 43 (R): 1.553 ----- 0.032 0.304 -0.235 0.436 RESID 44 (I): -5.735 ----- -0.830 -2.126 -1.572 -0.644 RESID 45 (N): 3.053 ----- -0.345 -0.954 0.700 -0.295 RESID 46 (T): 7.027 ----- 0.271 -0.260 -1.359 0.006 RESID 47 (Q): 3.510 ----- 0.831 -0.546 -1.816 -0.321 RESID 48 (C): -0.603 ----- -0.597 -4.729 17.897 0.193 RESID 49 (T): -1.910 ----- 0.144 -1.054 -0.100 -0.478 RESID 50 (F): -2.130 ----- -0.141 -0.008 0.438 0.342 RESID 51 (V): 2.563 ----- -0.022 -0.024 -1.679 0.208 RESID 52 (E): -2.100 ----- 1.653 -2.774 -1.058 -0.152 RESID 53 (N): 6.418 ----- -1.809 -0.239 5.675 0.682 RESID 54 (P): ----- ----- -0.152 -0.759 -1.487 ----- RESID 55 (L): -0.026 ----- 0.890 -1.103 0.016 0.404 RESID 56 (D): -3.604 ----- -0.820 -0.775 -0.542 0.122 RESID 57 (A): 0.487 ----- 1.040 -2.162 -0.480 -0.257 RESID 58 (L): 1.102 ----- -0.959 0.843 -1.767 -0.343 RESID 59 (I): 0.099 ----- 1.255 1.651 -0.710 1.380 RESID 60 (P): ----- ----- 0.871 -0.628 -1.283 ----- RESID 61 (S): -0.093 ----- -1.198 0.349 ----- -0.332 RESID 62 (L): 3.141 ----- 2.022 -0.314 0.052 0.144 RESID 63 (K): 1.940 ----- 0.085 0.331 -1.706 0.700 RESID 64 (A): 0.021 ----- -0.469 -0.303 -0.446 -0.295 RESID 65 (K): -1.797 ----- -0.478 -0.185 -2.178 0.075 RESID 66 (K): 2.887 ----- -0.524 -1.255 -0.838 0.630 RESID 67 (I): -4.968 ----- -1.402 0.017 -0.574 -0.206 RESID 68 (D): -2.903 ----- -3.571 0.165 1.601 1.135 RESID 69 (A): -0.675 ----- 1.053 -1.048 -0.162 0.011 RESID 70 (I): -0.223 ----- 0.069 -0.596 0.198 1.356 RESID 71 (M): -0.867 ----- -1.628 -1.915 -0.586 0.152 RESID 72 (S): 1.598 ----- -0.964 0.843 -0.550 0.064 RESID 73 (S): 4.322 ----- -0.093 -0.900 0.084 -0.086 RESID 74 (L): -3.357 ----- -0.779 -1.124 -0.493 1.206 RESID 75 (S): 2.038 ----- 0.851 2.351 -1.754 0.239 RESID 76 (I): 9.408 ----- 1.049 1.669 -3.869 0.075 RESID 77 (T): 3.074 ----- -0.264 -2.223 -0.733 -1.013 RESID 78 (E): -0.413 ----- 1.613 -1.720 -0.643 0.031 RESID 79 (K): 0.089 ----- 1.567 -0.297 -0.688 0.049 RESID 80 (R): -0.349 ----- 0.148 0.365 0.312 0.280 RESID 81 (Q): -0.795 ----- -2.215 -1.647 0.339 0.088 RESID 82 (Q): -2.487 ----- -0.498 -1.186 -0.513 -0.686 RESID 83 (E): -2.135 ----- -0.896 -1.416 1.877 -0.302 RESID 84 (I): 3.218 ----- -1.340 0.482 -0.700 0.293 RESID 85 (A): 0.221 ----- -0.271 -1.122 0.858 0.260 RESID 86 (F): -3.639 ----- 2.984 -1.071 0.262 -0.339 RESID 87 (T): -6.777 ----- 0.896 0.776 2.652 -0.491 RESID 88 (D): -2.037 ----- -1.333 -0.758 1.051 -0.016 RESID 89 (K): 1.491 ----- -0.522 -1.709 0.323 -0.023 RESID 90 (L): -2.962 ----- 0.248 -2.887 -1.603 -0.003 RESID 91 (Y): 0.469 ----- -1.072 0.501 -2.913 -0.397 RESID 92 (A): 0.562 ----- -1.161 0.861 0.700 -0.966 RESID 93 (A): -0.716 ----- -0.991 0.329 -0.018 0.260 RESID 94 (D): 1.113 ----- -0.820 -1.244 -0.230 0.760 RESID 95 (S): -1.867 ----- -1.468 0.445 -0.113 -1.032 RESID 96 (R): 4.525 ----- -0.138 1.545 -0.286 0.459 RESID 97 (L): -0.974 ----- 1.675 0.332 -1.768 1.286 RESID 98 (V): 0.755 ----- 0.706 0.873 0.396 1.468 RESID 99 (V): -5.495 ----- 0.725 -0.238 1.221 0.983 RESID 100 (A): 0.846 ----- 0.754 2.089 -1.885 0.672 RESID 101 (K): -4.004 ----- -0.208 0.387 -0.480 -1.068 RESID 102 (N): -1.148 ----- 0.253 -2.308 -1.619 -0.232 RESID 103 (S): 0.143 ----- 2.731 0.691 0.393 0.081 RESID 104 (D): -0.824 ----- 1.718 -0.976 -0.571 0.001 RESID 105 (I): -1.181 ----- -0.693 3.202 -2.989 -0.313 RESID 106 (Q): -0.537 ----- 0.698 -0.632 1.986 -0.181 RESID 107 (P): ----- ----- -0.480 -1.805 -3.899 ----- RESID 108 (T): -3.066 ----- -0.382 -3.902 -1.074 0.805 RESID 109 (V): -1.767 ----- 0.374 0.849 -2.188 0.286 RESID 110 (E): -3.939 ----- -0.247 -0.881 -0.876 0.032 RESID 111 (S): -0.245 ----- 0.578 -1.617 1.218 -1.051 RESID 112 (L): -4.289 ----- 0.002 -0.797 0.094 0.354 RESID 113 (K): 1.775 ----- 0.705 0.612 -1.386 -0.307 RESID 114 (G): 0.955 ----- -0.600 -0.115 ----- 0.103 RESID 115 (K): -1.122 ----- -1.312 -1.064 -1.292 0.644 RESID 116 (R): -1.473 ----- 0.561 -0.951 0.437 1.014 RESID 117 (V): 2.994 ----- 0.373 -0.132 -1.971 0.589 RESID 118 (G): 0.315 ----- -0.224 1.381 ----- 1.300 RESID 119 (V): -6.019 ----- 0.089 -2.168 -0.621 -0.149 RESID 120 (L): 0.345 ----- 1.231 -0.262 -1.560 0.128 RESID 121 (Q): 0.905 ----- -0.353 -0.377 -1.611 0.304 RESID 122 (G): -0.002 ----- 1.547 -0.229 ----- 0.583 RESID 123 (T): -1.731 ----- 2.359 0.300 2.839 -0.515 RESID 124 (T): 1.309 ----- 1.581 -0.661 -0.994 0.280 RESID 125 (Q): -1.831 ----- 0.211 1.903 -2.740 -0.747 RESID 126 (E): 2.137 ----- -1.297 -0.193 -0.908 -0.096 RESID 127 (T): 1.553 ----- -0.159 -0.519 -1.144 0.558 RESID 128 (F): -0.070 ----- 0.467 0.844 -0.121 0.274 RESID 129 (G): -0.109 ----- -0.377 -0.516 ----- -0.261 RESID 130 (N): 4.534 ----- 0.364 0.052 -0.629 0.330 RESID 131 (E): 2.284 ----- 0.804 1.239 -1.412 0.429 RESID 132 (H): -6.055 ----- 0.342 -1.899 0.698 -0.003 RESID 133 (W): 1.847 ----- 0.595 -0.985 0.686 0.143 RESID 134 (A): 0.763 ----- 0.472 0.776 -0.809 1.175 RESID 135 (P): ----- ----- -0.205 0.324 -0.191 ----- RESID 136 (K): -0.464 ----- -1.134 -2.398 -0.645 -0.464 RESID 137 (G): -2.265 ----- 0.764 0.373 ----- 0.201 RESID 138 (I): 5.004 ----- -0.369 0.347 -1.741 -0.589 RESID 139 (E): 1.174 ----- -1.186 0.459 -1.750 -0.098 RESID 140 (I): 7.951 ----- 1.383 -1.911 -6.245 0.292 RESID 141 (V): 8.081 ----- -0.039 -0.086 -3.902 0.277 RESID 142 (S): 2.695 ----- 1.407 0.555 -0.189 0.129 RESID 143 (Y): -2.521 ----- -0.540 -0.357 0.916 -0.349 RESID 144 (Q): -0.200 ----- 1.025 0.577 -1.448 0.242 RESID 145 (G): -0.494 ----- -0.656 0.008 ----- -0.325 RESID 146 (Q): 1.463 ----- -0.154 -1.016 -0.444 0.088 RESID 147 (D): -0.523 ----- 0.431 -0.195 -0.852 -0.036 RESID 148 (N): -0.285 ----- -0.655 -0.444 0.605 -1.071 RESID 149 (I): 0.054 ----- -0.121 -0.607 -1.688 -0.391 RESID 150 (Y): -0.770 ----- 0.746 -1.899 -1.674 -0.482 RESID 151 (S): 2.065 ----- -0.031 -0.394 -0.116 -0.083 RESID 152 (D): -0.854 ----- 0.704 -0.255 -2.148 -0.154 RESID 153 (L): 2.848 ----- 1.793 0.625 -0.197 0.605 RESID 154 (T): -1.496 ----- 1.339 -1.508 -0.312 0.080 RESID 155 (A): 1.697 ----- 0.167 -0.670 -0.443 0.367 RESID 156 (G): 0.610 ----- -0.274 0.218 ----- -0.026 RESID 157 (R): -0.177 ----- 0.893 -0.330 -0.359 0.313 RESID 158 (I): -4.024 ----- -0.608 0.678 -0.931 -0.012 RESID 159 (D): -4.848 ----- -0.945 -0.451 1.916 0.195 RESID 160 (A): -0.031 ----- 0.577 -1.287 1.659 0.544 RESID 161 (A): 1.616 ----- -0.179 -0.534 -0.491 0.922 RESID 162 (F): 2.579 ----- -2.120 -3.698 0.595 0.479 RESID 163 (Q): 1.225 ----- -0.302 -0.091 1.252 -0.386 RESID 164 (D): 1.039 ----- -1.454 1.088 0.316 -0.134 RESID 165 (E): 5.852 ----- -0.413 0.103 0.194 -0.156 RESID 166 (V): 1.253 ----- 1.022 0.115 -0.188 0.554 RESID 167 (A): 3.144 ----- 3.420 0.268 -0.121 0.756 RESID 168 (A): -0.862 ----- 0.066 -0.356 0.336 0.459 RESID 169 (S): -1.039 ----- -0.487 -1.502 0.400 -0.049 RESID 170 (E): -4.503 ----- 1.568 -0.397 0.744 1.003 RESID 171 (G): -1.230 ----- -1.286 -0.259 ----- 0.807 RESID 172 (F): -2.420 ----- -2.484 -0.475 1.656 -1.067 RESID 173 (L): 0.072 ----- 0.708 0.809 -1.812 0.947 RESID 174 (K): -1.852 ----- 0.538 -0.833 -0.897 0.464 RESID 175 (Q): 1.716 ----- 2.051 0.296 -3.057 -0.135 RESID 176 (P): ----- ----- 1.963 0.670 -0.811 ----- RESID 177 (V): -4.952 ----- -1.992 -3.077 0.089 -0.212 RESID 178 (G): 3.938 ----- 0.210 -2.162 ----- -0.729 RESID 179 (K): 1.811 ----- -0.566 -0.093 -1.027 -0.427 RESID 180 (D): -0.074 ----- -1.965 -1.947 -1.674 0.588 RESID 181 (Y): 5.535 ----- -1.179 0.152 -0.475 0.320 RESID 182 (K): -1.799 ----- 0.625 -2.117 2.237 0.661 RESID 183 (F): -3.196 ----- 2.679 -1.126 -4.668 0.357 RESID 184 (G): 4.714 ----- -1.570 1.987 ----- 0.288 RESID 185 (G): 2.198 ----- -1.748 -0.934 ----- -0.550 RESID 186 (P): ----- ----- -0.697 -2.521 0.781 ----- RESID 187 (S): -6.612 ----- -0.323 0.454 -2.394 0.120 RESID 188 (V): 1.547 ----- 0.289 -0.541 -1.978 1.249 RESID 189 (K): 2.796 ----- 2.628 -1.501 -0.920 -0.009 RESID 190 (D): -1.748 ----- -1.595 2.209 2.182 0.554 RESID 191 (E): 2.489 ----- -0.282 0.829 -1.104 0.382 RESID 192 (K): -1.273 ----- 0.162 -0.777 -0.455 -0.866 RESID 193 (L): 0.236 ----- 0.084 -1.114 0.252 1.215 RESID 194 (F): 3.451 ----- 2.363 -2.857 -2.549 0.736 RESID 195 (G): -1.932 ----- -0.363 -0.776 ----- -0.145 RESID 196 (V): -11.424 ----- -0.526 -3.292 -1.519 -0.269 RESID 197 (G): 3.209 ----- 0.097 -2.081 ----- 0.488 RESID 198 (T): -4.505 ----- -0.431 -0.330 -0.552 -0.045 RESID 199 (G): -4.157 ----- -0.517 -1.939 ----- 0.124 RESID 200 (M): 1.992 ----- 0.154 0.438 -2.220 -0.244 RESID 201 (G): 1.823 ----- -0.686 0.243 ----- 0.369 RESID 202 (L): -0.231 ----- 0.055 0.898 0.029 0.096 RESID 203 (R): 1.538 ----- 2.490 1.694 -1.650 2.149 RESID 204 (K): -1.212 ----- 0.529 -0.113 -0.311 0.559 RESID 205 (E): -3.300 ----- -0.175 -0.989 -1.126 0.797 RESID 206 (D): 5.127 ----- 0.788 0.051 -1.161 -0.792 RESID 207 (N): -0.357 ----- -0.104 0.514 -0.075 -0.887 RESID 208 (E): 1.528 ----- 1.437 0.894 -1.815 0.444 RESID 209 (L): 2.457 ----- -1.113 -0.146 -1.174 0.504 RESID 210 (R): 0.355 ----- -0.828 0.237 0.084 -0.733 RESID 211 (E): -3.049 ----- 1.266 -0.110 -0.998 0.537 RESID 212 (A): 0.811 ----- 1.651 0.106 -0.969 0.493 RESID 213 (L): 1.576 ----- -1.218 -0.489 0.236 0.316 RESID 214 (N): 2.725 ----- 1.844 -0.622 -0.797 0.107 RESID 215 (K): 2.479 ----- -0.118 -0.305 -0.741 -0.368 RESID 216 (A): 0.452 ----- -0.009 -0.746 0.433 -0.305 RESID 217 (F): -0.620 ----- 0.219 1.079 -1.073 0.589 RESID 218 (A): 0.096 ----- 2.424 -0.392 -1.343 -0.184 RESID 219 (E): 0.972 ----- -0.406 -0.273 -1.162 0.114 RESID 220 (M): 2.790 ----- 0.466 -2.045 0.168 0.067 RESID 221 (R): 0.827 ----- 0.410 -0.221 -2.379 0.256 RESID 222 (A): 0.398 ----- 0.367 -0.449 -0.517 0.096 RESID 223 (D): 0.401 ----- 0.635 -0.116 -0.865 0.109 RESID 224 (G): -2.126 ----- -0.007 -1.242 ----- -0.227 RESID 225 (T): 5.247 ----- 0.375 -0.259 -1.919 0.340 RESID 226 (Y): -0.206 ----- -0.906 0.167 0.081 0.400 RESID 227 (E): -0.522 ----- -0.498 -0.548 -0.312 -0.441 RESID 228 (K): -1.276 ----- 0.439 -0.238 -0.898 -0.832 RESID 229 (L): -0.264 ----- 0.465 -0.735 -0.334 -0.013 RESID 230 (A): -0.958 ----- 1.237 -0.660 -0.181 0.569 RESID 231 (K): -0.827 ----- -0.458 -1.429 -1.031 -0.048 RESID 232 (K): 0.911 ----- -2.388 -0.750 -1.407 -0.405 RESID 233 (Y): -3.016 ----- -0.681 -3.112 0.403 -0.993 RESID 234 (F): 2.869 ----- 2.365 -1.811 -1.566 -0.164 RESID 235 (D): 2.293 ----- -0.599 -0.735 0.096 0.243 RESID 236 (F): -6.695 ----- 0.001 -2.339 0.121 -0.691 RESID 237 (D): -2.281 ----- -1.305 0.339 -2.596 0.210 RESID 238 (V): 7.387 ----- -1.512 -3.217 0.624 -0.954 RESID 239 (Y): 4.362 ----- -2.064 0.783 0.277 0.485 RESID 240 (G): -0.237 ----- -0.306 0.610 ----- -0.985 DATA CS_STAT_INFO N RMS: 2.925 ppm Count: 226 Average Difference: -0.152 +/- 2.928 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.295 ppm Count: 236 Average Difference: -0.111 +/- 1.293 ppm DATA CS_STAT_INFO CA RMS: 1.330 ppm Count: 236 Average Difference: 0.524 +/- 1.225 ppm DATA CS_STAT_INFO CB RMS: 2.465 ppm Count: 215 Average Difference: 0.524 +/- 2.414 ppm DATA CS_STAT_INFO HN RMS: 0.590 ppm Count: 226 Average Difference: -0.120 +/- 0.579 ppm