data_19872 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19872 _Entry.PDB_ID 2MMZ save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 19872 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER HA H 2 4.360 4.360 4.740 -0.380 19872 2 1 1 . 1 1 2 2 SER C C 2 173.800 173.800 174.245 -0.445 19872 3 1 1 . 1 1 2 2 SER CA C 2 58.000 58.000 58.252 -0.252 19872 4 1 1 . 1 1 2 2 SER CB C 2 63.100 63.100 64.161 -1.061 19872 5 1 1 . 1 1 3 3 PHE N N 3 122.000 122.000 119.732 2.268 19872 6 1 1 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.208 0.402 19872 7 1 1 . 1 1 3 3 PHE C C 3 175.300 175.300 175.229 0.071 19872 8 1 1 . 1 1 3 3 PHE CA C 3 57.300 57.300 58.064 -0.764 19872 9 1 1 . 1 1 3 3 PHE CB C 3 39.300 39.300 38.621 0.679 19872 10 1 1 . 1 1 4 4 THR N N 4 116.900 116.900 112.022 4.878 19872 11 1 1 . 1 1 4 4 THR HA H 4 4.180 4.180 4.498 -0.318 19872 12 1 1 . 1 1 4 4 THR C C 4 173.800 173.800 175.099 -1.299 19872 13 1 1 . 1 1 4 4 THR CA C 4 61.000 61.000 61.562 -0.562 19872 14 1 1 . 1 1 4 4 THR CB C 4 69.300 69.300 69.766 -0.466 19872 15 1 1 . 1 1 36 36 ALA N N 36 123.600 123.600 123.113 0.487 19872 16 1 1 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.571 -0.341 19872 17 1 1 . 1 1 36 36 ALA C C 36 178.100 178.100 176.035 2.065 19872 18 1 1 . 1 1 36 36 ALA CA C 36 52.000 52.000 52.068 -0.068 19872 19 1 1 . 1 1 36 36 ALA CB C 36 18.700 18.700 19.801 -1.101 19872 20 1 1 . 1 1 37 37 GLY N N 37 108.200 108.200 105.093 3.107 19872 21 1 1 . 1 1 37 37 GLY C C 37 174.500 174.500 173.016 1.484 19872 22 1 1 . 1 1 37 37 GLY CA C 37 44.800 44.800 45.246 -0.446 19872 23 1 1 . 1 1 38 38 GLY N N 38 108.200 108.200 107.389 0.811 19872 24 1 1 . 1 1 38 38 GLY C C 38 174.500 174.500 174.056 0.444 19872 25 1 1 . 1 1 38 38 GLY CA C 38 44.700 44.700 45.475 -0.775 19872 26 1 1 . 1 1 39 39 GLY N N 39 108.600 108.600 107.307 1.293 19872 27 1 1 . 1 1 39 39 GLY C C 39 174.100 174.100 175.270 -1.170 19872 28 1 1 . 1 1 39 39 GLY CA C 39 44.800 44.800 44.638 0.162 19872 29 1 1 . 1 1 40 40 GLY N N 40 107.700 107.700 111.917 -4.217 19872 30 1 1 . 1 1 40 40 GLY C C 40 174.100 174.100 174.589 -0.489 19872 31 1 1 . 1 1 40 40 GLY CA C 40 44.700 44.700 45.382 -0.682 19872 32 1 1 . 1 1 41 41 SER N N 41 115.700 115.700 115.014 0.686 19872 33 1 1 . 1 1 41 41 SER HA H 41 4.220 4.220 4.388 -0.168 19872 34 1 1 . 1 1 41 41 SER C C 41 174.800 174.800 175.223 -0.423 19872 35 1 1 . 1 1 41 41 SER CA C 41 58.400 58.400 58.147 0.253 19872 36 1 1 . 1 1 41 41 SER CB C 41 63.100 63.100 64.325 -1.224 19872 37 1 1 . 1 1 42 42 ALA N N 42 124.700 124.700 127.521 -2.821 19872 38 1 1 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.157 -0.207 19872 39 1 1 . 1 1 42 42 ALA C C 42 178.800 178.800 179.290 -0.490 19872 40 1 1 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.555 -0.855 19872 41 1 1 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.438 -0.738 19872 42 1 1 . 1 1 43 43 GLU N N 43 116.700 116.700 117.144 -0.444 19872 43 1 1 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.110 -0.160 19872 44 1 1 . 1 1 43 43 GLU C C 43 178.800 178.800 178.462 0.338 19872 45 1 1 . 1 1 43 43 GLU CA C 43 58.500 58.500 59.038 -0.538 19872 46 1 1 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.698 -0.098 19872 47 1 1 . 1 1 44 44 GLN N N 44 119.400 119.400 119.872 -0.472 19872 48 1 1 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.214 -0.244 19872 49 1 1 . 1 1 44 44 GLN C C 44 178.200 178.200 178.156 0.044 19872 50 1 1 . 1 1 44 44 GLN CA C 44 57.600 57.600 57.750 -0.150 19872 51 1 1 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.844 -0.744 19872 52 1 1 . 1 1 45 45 LEU N N 45 121.700 121.700 120.949 0.751 19872 53 1 1 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.725 -0.155 19872 54 1 1 . 1 1 45 45 LEU C C 45 177.300 177.300 178.857 -1.557 19872 55 1 1 . 1 1 45 45 LEU CA C 45 56.500 56.500 58.053 -1.553 19872 56 1 1 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.539 -1.039 19872 57 1 1 . 1 1 46 46 ASP N N 46 118.000 118.000 119.397 -1.397 19872 58 1 1 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.357 -0.327 19872 59 1 1 . 1 1 46 46 ASP C C 46 176.800 176.800 177.971 -1.171 19872 60 1 1 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.753 -1.153 19872 61 1 1 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.913 0.686 19872 62 1 1 . 1 1 47 47 ALA N N 47 116.100 116.100 121.272 -5.172 19872 63 1 1 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.210 -0.320 19872 64 1 1 . 1 1 47 47 ALA C C 47 180.300 180.300 179.101 1.199 19872 65 1 1 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.481 -0.481 19872 66 1 1 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.619 -1.219 19872 67 1 1 . 1 1 48 48 LEU N N 48 117.800 117.800 118.390 -0.590 19872 68 1 1 . 1 1 48 48 LEU HA H 48 3.840 3.840 3.961 -0.121 19872 69 1 1 . 1 1 48 48 LEU C C 48 180.100 180.100 179.260 0.840 19872 70 1 1 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.671 -0.271 19872 71 1 1 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.400 -0.500 19872 72 1 1 . 1 1 49 49 VAL N N 49 112.100 112.100 114.287 -2.187 19872 73 1 1 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.842 0.038 19872 74 1 1 . 1 1 49 49 VAL C C 49 176.000 176.000 177.296 -1.296 19872 75 1 1 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.279 -1.079 19872 76 1 1 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.111 -0.111 19872 77 1 1 . 1 1 50 50 LYS N N 50 115.400 115.400 118.365 -2.965 19872 78 1 1 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.420 -0.260 19872 79 1 1 . 1 1 50 50 LYS C C 50 177.900 177.900 176.704 1.196 19872 80 1 1 . 1 1 50 50 LYS CA C 50 56.200 56.200 55.326 0.874 19872 81 1 1 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.141 1.259 19872 82 1 1 . 1 1 51 51 LYS N N 51 119.000 119.000 118.441 0.559 19872 83 1 1 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.169 -0.249 19872 84 1 1 . 1 1 51 51 LYS C C 51 174.700 174.700 176.735 -2.035 19872 85 1 1 . 1 1 51 51 LYS CA C 51 58.000 58.000 58.188 -0.188 19872 86 1 1 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.898 -0.598 19872 87 1 1 . 1 1 52 52 ASP N N 52 113.400 113.400 117.786 -4.386 19872 88 1 1 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.886 0.104 19872 89 1 1 . 1 1 52 52 ASP C C 52 174.400 174.400 174.722 -0.322 19872 90 1 1 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.623 -0.823 19872 91 1 1 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.910 1.690 19872 92 1 1 . 1 1 53 53 LYS N N 53 119.500 119.500 118.458 1.042 19872 93 1 1 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.404 -0.394 19872 94 1 1 . 1 1 53 53 LYS C C 53 176.100 176.100 176.044 0.056 19872 95 1 1 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.214 2.586 19872 96 1 1 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.702 -0.102 19872 97 1 1 . 1 1 54 54 VAL N N 54 117.700 117.700 118.763 -1.063 19872 98 1 1 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.669 -0.049 19872 99 1 1 . 1 1 54 54 VAL C C 54 173.700 173.700 174.253 -0.553 19872 100 1 1 . 1 1 54 54 VAL CA C 54 60.900 60.900 61.756 -0.856 19872 101 1 1 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.800 -0.500 19872 102 1 1 . 1 1 55 55 VAL N N 55 127.100 127.100 126.690 0.410 19872 103 1 1 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.686 0.265 19872 104 1 1 . 1 1 55 55 VAL C C 55 174.400 174.400 175.310 -0.910 19872 105 1 1 . 1 1 55 55 VAL CA C 55 60.600 60.600 60.932 -0.332 19872 106 1 1 . 1 1 55 55 VAL CB C 55 35.200 35.200 31.702 3.498 19872 107 1 1 . 1 1 56 56 VAL N N 56 119.700 119.700 127.821 -8.121 19872 108 1 1 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.025 0.415 19872 109 1 1 . 1 1 56 56 VAL C C 56 173.400 173.400 174.843 -1.443 19872 110 1 1 . 1 1 56 56 VAL CA C 56 58.000 58.000 60.916 -2.916 19872 111 1 1 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.510 0.290 19872 112 1 1 . 1 1 57 57 PHE N N 57 122.400 122.400 123.736 -1.336 19872 113 1 1 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.275 -0.065 19872 114 1 1 . 1 1 57 57 PHE C C 57 174.800 174.800 174.042 0.758 19872 115 1 1 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.349 -0.949 19872 116 1 1 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.653 -0.953 19872 117 1 1 . 1 1 58 58 LEU N N 58 120.500 120.500 119.874 0.626 19872 118 1 1 . 1 1 58 58 LEU HA H 58 4.700 4.700 5.124 -0.424 19872 119 1 1 . 1 1 58 58 LEU C C 58 175.500 175.500 176.079 -0.579 19872 120 1 1 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.636 -0.636 19872 121 1 1 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.863 -0.763 19872 122 1 1 . 1 1 59 59 LYS N N 59 117.800 117.800 121.086 -3.286 19872 123 1 1 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.384 -0.034 19872 124 1 1 . 1 1 59 59 LYS C C 59 175.200 175.200 175.853 -0.653 19872 125 1 1 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.371 -0.271 19872 126 1 1 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.456 0.844 19872 127 1 1 . 1 1 60 60 GLY N N 60 114.800 114.800 110.293 4.507 19872 128 1 1 . 1 1 60 60 GLY C C 60 170.300 170.300 172.592 -2.292 19872 129 1 1 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.588 -1.688 19872 130 1 1 . 1 1 61 61 THR N N 61 107.800 107.800 111.557 -3.757 19872 131 1 1 . 1 1 61 61 THR HA H 61 4.740 4.740 5.006 -0.266 19872 132 1 1 . 1 1 61 61 THR C C 61 173.100 173.100 174.320 -1.220 19872 133 1 1 . 1 1 61 61 THR CA C 61 57.400 57.400 58.942 -1.542 19872 134 1 1 . 1 1 61 61 THR CB C 61 68.800 68.800 69.921 -1.121 19872 135 1 1 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.458 -0.488 19872 136 1 1 . 1 1 62 62 PRO C C 62 177.200 177.200 176.942 0.258 19872 137 1 1 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.771 0.129 19872 138 1 1 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.088 -0.988 19872 139 1 1 . 1 1 63 63 GLU N N 63 111.900 111.900 114.442 -2.542 19872 140 1 1 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.372 -0.432 19872 141 1 1 . 1 1 63 63 GLU C C 63 176.500 176.500 176.706 -0.206 19872 142 1 1 . 1 1 63 63 GLU CA C 63 58.100 58.100 56.525 1.575 19872 143 1 1 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.282 -0.082 19872 144 1 1 . 1 1 64 64 GLN N N 64 117.700 117.700 119.167 -1.467 19872 145 1 1 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.732 -0.252 19872 146 1 1 . 1 1 64 64 GLN C C 64 171.500 171.500 173.470 -1.970 19872 147 1 1 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.655 -0.255 19872 148 1 1 . 1 1 64 64 GLN CB C 64 29.100 29.100 31.557 -2.457 19872 149 1 1 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.681 -0.131 19872 150 1 1 . 1 1 65 65 PRO C C 65 177.900 177.900 177.529 0.371 19872 151 1 1 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.568 0.432 19872 152 1 1 . 1 1 65 65 PRO CB C 65 31.700 31.700 31.441 0.259 19872 153 1 1 . 1 1 66 66 GLN N N 66 119.700 119.700 122.682 -2.982 19872 154 1 1 . 1 1 66 66 GLN HA H 66 4.500 4.500 3.914 0.586 19872 155 1 1 . 1 1 66 66 GLN C C 66 174.400 174.400 175.885 -1.485 19872 156 1 1 . 1 1 66 66 GLN CA C 66 54.600 54.600 58.029 -3.429 19872 157 1 1 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.447 0.653 19872 158 1 1 . 1 1 67 67 CYS N N 67 116.700 116.700 115.572 1.128 19872 159 1 1 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.491 0.209 19872 160 1 1 . 1 1 67 67 CYS C C 67 176.500 176.500 173.918 2.582 19872 161 1 1 . 1 1 67 67 CYS CA C 67 58.700 58.700 57.463 1.237 19872 162 1 1 . 1 1 67 67 CYS CB C 67 32.800 32.800 30.048 2.752 19872 163 1 1 . 1 1 68 68 GLY C C 68 176.500 176.500 173.631 2.869 19872 164 1 1 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.801 0.099 19872 165 1 1 . 1 1 69 69 PHE N N 69 125.800 125.800 114.202 11.598 19872 166 1 1 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.128 0.582 19872 167 1 1 . 1 1 69 69 PHE C C 69 178.300 178.300 175.497 2.803 19872 168 1 1 . 1 1 69 69 PHE CA C 69 59.900 59.900 58.087 1.813 19872 169 1 1 . 1 1 69 69 PHE CB C 69 37.900 37.900 36.563 1.337 19872 170 1 1 . 1 1 70 70 SER N N 70 124.200 124.200 117.173 7.027 19872 171 1 1 . 1 1 70 70 SER HA H 70 3.980 3.980 4.198 -0.218 19872 172 1 1 . 1 1 70 70 SER CA C 70 63.800 63.800 61.246 2.554 19872 173 1 1 . 1 1 70 70 SER CB C 70 62.000 62.000 63.633 -1.633 19872 174 1 1 . 1 1 71 71 ASN N N 71 118.500 118.500 120.744 -2.244 19872 175 1 1 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.564 -0.414 19872 176 1 1 . 1 1 71 71 ASN C C 71 175.800 175.800 176.388 -0.588 19872 177 1 1 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.371 1.029 19872 178 1 1 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.068 0.732 19872 179 1 1 . 1 1 72 72 ALA N N 72 119.900 119.900 122.423 -2.523 19872 180 1 1 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.104 -0.124 19872 181 1 1 . 1 1 72 72 ALA C C 72 179.700 179.700 179.423 0.277 19872 182 1 1 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.760 0.040 19872 183 1 1 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.175 -0.475 19872 184 1 1 . 1 1 73 73 VAL N N 73 115.700 115.700 114.233 1.467 19872 185 1 1 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.653 -0.313 19872 186 1 1 . 1 1 73 73 VAL C C 73 176.300 176.300 177.151 -0.851 19872 187 1 1 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.604 0.596 19872 188 1 1 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.576 -0.476 19872 189 1 1 . 1 1 74 74 VAL N N 74 118.100 118.100 120.616 -2.516 19872 190 1 1 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.661 -0.331 19872 191 1 1 . 1 1 74 74 VAL C C 74 178.800 178.800 178.410 0.390 19872 192 1 1 . 1 1 74 74 VAL CA C 74 66.100 66.100 65.465 0.635 19872 193 1 1 . 1 1 74 74 VAL CB C 74 31.100 31.100 31.001 0.099 19872 194 1 1 . 1 1 75 75 GLN N N 75 119.000 119.000 119.937 -0.937 19872 195 1 1 . 1 1 75 75 GLN HA H 75 3.910 3.910 3.983 -0.073 19872 196 1 1 . 1 1 75 75 GLN C C 75 178.500 178.500 178.833 -0.333 19872 197 1 1 . 1 1 75 75 GLN CA C 75 57.900 57.900 59.262 -1.362 19872 198 1 1 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.303 -1.203 19872 199 1 1 . 1 1 76 76 ILE N N 76 120.600 120.600 120.106 0.494 19872 200 1 1 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.429 -0.109 19872 201 1 1 . 1 1 76 76 ILE C C 76 177.600 177.600 178.203 -0.603 19872 202 1 1 . 1 1 76 76 ILE CA C 76 64.700 64.700 64.880 -0.181 19872 203 1 1 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.700 -0.800 19872 204 1 1 . 1 1 77 77 LEU N N 77 117.800 117.800 119.494 -1.694 19872 205 1 1 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.981 -0.251 19872 206 1 1 . 1 1 77 77 LEU C C 77 178.400 178.400 179.202 -0.802 19872 207 1 1 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.346 -0.246 19872 208 1 1 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.644 -2.244 19872 209 1 1 . 1 1 78 78 ARG N N 78 118.800 118.800 119.469 -0.669 19872 210 1 1 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.293 -0.213 19872 211 1 1 . 1 1 78 78 ARG C C 78 180.800 180.800 179.446 1.354 19872 212 1 1 . 1 1 78 78 ARG CA C 78 58.900 58.900 59.044 -0.144 19872 213 1 1 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.787 -0.487 19872 214 1 1 . 1 1 79 79 LEU N N 79 123.200 123.200 122.114 1.086 19872 215 1 1 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.026 -0.136 19872 216 1 1 . 1 1 79 79 LEU C C 79 178.200 178.200 178.765 -0.565 19872 217 1 1 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.735 -0.235 19872 218 1 1 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.778 -0.278 19872 219 1 1 . 1 1 80 80 HIS N N 80 112.200 112.200 114.756 -2.556 19872 220 1 1 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.572 -0.472 19872 221 1 1 . 1 1 80 80 HIS C C 80 176.000 176.000 176.558 -0.558 19872 222 1 1 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.587 0.413 19872 223 1 1 . 1 1 80 80 HIS CB C 80 31.700 31.700 29.953 1.747 19872 224 1 1 . 1 1 81 81 GLY N N 81 111.700 111.700 107.723 3.977 19872 225 1 1 . 1 1 81 81 GLY C C 81 174.000 174.000 173.972 0.028 19872 226 1 1 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.529 0.070 19872 227 1 1 . 1 1 82 82 VAL N N 82 120.400 120.400 121.528 -1.128 19872 228 1 1 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.349 -0.539 19872 229 1 1 . 1 1 82 82 VAL C C 82 174.800 174.800 174.676 0.124 19872 230 1 1 . 1 1 82 82 VAL CA C 82 62.200 62.200 61.541 0.659 19872 231 1 1 . 1 1 82 82 VAL CB C 82 29.700 29.700 32.158 -2.458 19872 232 1 1 . 1 1 83 83 ARG N N 83 126.600 126.600 124.858 1.742 19872 233 1 1 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.520 -0.160 19872 234 1 1 . 1 1 83 83 ARG C C 83 176.000 176.000 175.549 0.451 19872 235 1 1 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.946 -0.346 19872 236 1 1 . 1 1 83 83 ARG CB C 83 31.100 31.100 31.135 -0.035 19872 237 1 1 . 1 1 84 84 ASP N N 84 118.400 118.400 119.796 -1.396 19872 238 1 1 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.565 -0.015 19872 239 1 1 . 1 1 84 84 ASP C C 84 174.200 174.200 175.571 -1.371 19872 240 1 1 . 1 1 84 84 ASP CA C 84 53.000 53.000 53.688 -0.688 19872 241 1 1 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.914 -0.914 19872 242 1 1 . 1 1 85 85 TYR N N 85 116.200 116.200 117.071 -0.871 19872 243 1 1 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.579 0.171 19872 244 1 1 . 1 1 85 85 TYR C C 85 173.100 173.100 175.806 -2.706 19872 245 1 1 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.905 -1.905 19872 246 1 1 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.448 0.752 19872 247 1 1 . 1 1 86 86 ALA N N 86 125.000 125.000 123.553 1.447 19872 248 1 1 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.568 -0.348 19872 249 1 1 . 1 1 86 86 ALA C C 86 174.300 174.300 175.819 -1.519 19872 250 1 1 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.814 -0.014 19872 251 1 1 . 1 1 86 86 ALA CB C 86 20.400 20.400 19.201 1.199 19872 252 1 1 . 1 1 87 87 ALA N N 87 124.400 124.400 129.967 -5.567 19872 253 1 1 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.511 0.659 19872 254 1 1 . 1 1 87 87 ALA C C 87 175.400 175.400 176.118 -0.718 19872 255 1 1 . 1 1 87 87 ALA CA C 87 48.900 48.900 51.034 -2.134 19872 256 1 1 . 1 1 87 87 ALA CB C 87 21.400 21.400 19.056 2.344 19872 257 1 1 . 1 1 88 88 TYR N N 88 121.100 121.100 124.838 -3.738 19872 258 1 1 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.231 0.259 19872 259 1 1 . 1 1 88 88 TYR C C 88 174.100 174.100 174.838 -0.738 19872 260 1 1 . 1 1 88 88 TYR CA C 88 56.900 56.900 57.833 -0.933 19872 261 1 1 . 1 1 88 88 TYR CB C 88 40.200 40.200 38.434 1.766 19872 262 1 1 . 1 1 89 89 ASN N N 89 122.300 122.300 123.274 -0.974 19872 263 1 1 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.133 0.057 19872 264 1 1 . 1 1 89 89 ASN C C 89 178.000 178.000 176.724 1.276 19872 265 1 1 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.949 -2.149 19872 266 1 1 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.748 -0.748 19872 267 1 1 . 1 1 90 90 VAL N N 90 117.900 117.900 120.820 -2.920 19872 268 1 1 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.227 -0.047 19872 269 1 1 . 1 1 90 90 VAL C C 90 176.700 176.700 175.627 1.073 19872 270 1 1 . 1 1 90 90 VAL CA C 90 62.200 62.200 63.173 -0.973 19872 271 1 1 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.572 -1.072 19872 272 1 1 . 1 1 91 91 LEU N N 91 118.900 118.900 119.336 -0.436 19872 273 1 1 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.326 -0.266 19872 274 1 1 . 1 1 91 91 LEU C C 91 177.500 177.500 177.949 -0.449 19872 275 1 1 . 1 1 91 91 LEU CA C 91 56.000 56.000 55.830 0.170 19872 276 1 1 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.795 -1.395 19872 277 1 1 . 1 1 92 92 ASP N N 92 115.500 115.500 119.164 -3.664 19872 278 1 1 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.526 0.144 19872 279 1 1 . 1 1 92 92 ASP C C 92 175.500 175.500 176.066 -0.566 19872 280 1 1 . 1 1 92 92 ASP CA C 92 54.100 54.100 56.124 -2.025 19872 281 1 1 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.659 -0.659 19872 282 1 1 . 1 1 93 93 ASP N N 93 115.000 115.000 117.796 -2.796 19872 283 1 1 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.101 -0.071 19872 284 1 1 . 1 1 93 93 ASP C C 93 172.800 172.800 175.114 -2.314 19872 285 1 1 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.872 -1.372 19872 286 1 1 . 1 1 93 93 ASP CB C 93 41.900 41.900 43.339 -1.439 19872 287 1 1 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.323 -0.053 19872 288 1 1 . 1 1 94 94 PRO C C 94 179.300 179.300 177.994 1.306 19872 289 1 1 . 1 1 94 94 PRO CA C 94 64.100 64.100 65.192 -1.092 19872 290 1 1 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.311 -0.511 19872 291 1 1 . 1 1 95 95 GLU N N 95 118.600 118.600 117.825 0.775 19872 292 1 1 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.169 -0.129 19872 293 1 1 . 1 1 95 95 GLU C C 95 179.500 179.500 178.895 0.605 19872 294 1 1 . 1 1 95 95 GLU CA C 95 58.600 58.600 58.714 -0.114 19872 295 1 1 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.174 0.426 19872 296 1 1 . 1 1 96 96 LEU N N 96 123.800 123.800 120.972 2.828 19872 297 1 1 . 1 1 96 96 LEU HA H 96 3.890 3.890 3.999 -0.109 19872 298 1 1 . 1 1 96 96 LEU C C 96 177.200 177.200 178.894 -1.694 19872 299 1 1 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.606 -0.506 19872 300 1 1 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.810 -0.510 19872 301 1 1 . 1 1 97 97 ARG N N 97 117.900 117.900 119.315 -1.415 19872 302 1 1 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.903 -0.363 19872 303 1 1 . 1 1 97 97 ARG C C 97 176.400 176.400 178.510 -2.110 19872 304 1 1 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.075 -0.175 19872 305 1 1 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.066 0.334 19872 306 1 1 . 1 1 98 98 GLN N N 98 114.400 114.400 117.475 -3.075 19872 307 1 1 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.145 -0.325 19872 308 1 1 . 1 1 98 98 GLN C C 98 177.500 177.500 178.407 -0.907 19872 309 1 1 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.515 -1.615 19872 310 1 1 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.709 -0.709 19872 311 1 1 . 1 1 99 99 GLY N N 99 107.700 107.700 109.081 -1.381 19872 312 1 1 . 1 1 99 99 GLY C C 99 176.700 176.700 175.936 0.764 19872 313 1 1 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.252 -0.752 19872 314 1 1 . 1 1 100 100 ILE N N 100 120.900 120.900 122.501 -1.601 19872 315 1 1 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.760 0.220 19872 316 1 1 . 1 1 100 100 ILE C C 100 176.800 176.800 177.530 -0.730 19872 317 1 1 . 1 1 100 100 ILE CA C 100 60.500 60.500 61.376 -0.875 19872 318 1 1 . 1 1 100 100 ILE CB C 100 37.500 37.500 37.835 -0.335 19872 319 1 1 . 1 1 101 101 LYS N N 101 124.600 124.600 121.347 3.253 19872 320 1 1 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.146 -0.066 19872 321 1 1 . 1 1 101 101 LYS C C 101 178.900 178.900 178.932 -0.032 19872 322 1 1 . 1 1 101 101 LYS CA C 101 58.700 58.700 60.334 -1.634 19872 323 1 1 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.080 -0.279 19872 324 1 1 . 1 1 102 102 ASP N N 102 118.700 118.700 119.098 -0.398 19872 325 1 1 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.449 -0.199 19872 326 1 1 . 1 1 102 102 ASP C C 102 177.700 177.700 178.989 -1.289 19872 327 1 1 . 1 1 102 102 ASP CA C 102 56.200 56.200 57.354 -1.154 19872 328 1 1 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.142 -1.442 19872 329 1 1 . 1 1 103 103 TYR N N 103 120.300 120.300 121.706 -1.406 19872 330 1 1 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.167 -0.107 19872 331 1 1 . 1 1 103 103 TYR C C 103 176.600 176.600 177.052 -0.452 19872 332 1 1 . 1 1 103 103 TYR CA C 103 60.500 60.500 61.012 -0.512 19872 333 1 1 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.661 1.239 19872 334 1 1 . 1 1 104 104 SER N N 104 110.900 110.900 114.307 -3.407 19872 335 1 1 . 1 1 104 104 SER HA H 104 3.900 3.900 4.308 -0.408 19872 336 1 1 . 1 1 104 104 SER C C 104 174.600 174.600 174.330 0.270 19872 337 1 1 . 1 1 104 104 SER CA C 104 57.700 57.700 59.667 -1.967 19872 338 1 1 . 1 1 104 104 SER CB C 104 63.900 63.900 63.721 0.179 19872 339 1 1 . 1 1 105 105 ASN N N 105 117.900 117.900 117.069 0.831 19872 340 1 1 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.424 -0.224 19872 341 1 1 . 1 1 105 105 ASN C C 105 173.200 173.200 174.055 -0.855 19872 342 1 1 . 1 1 105 105 ASN CA C 105 53.800 53.800 54.759 -0.959 19872 343 1 1 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.107 -0.907 19872 344 1 1 . 1 1 106 106 TRP N N 106 120.600 120.600 118.419 2.181 19872 345 1 1 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.087 -0.007 19872 346 1 1 . 1 1 106 106 TRP C C 106 175.400 175.400 174.600 0.800 19872 347 1 1 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.158 -1.659 19872 348 1 1 . 1 1 106 106 TRP CB C 106 31.000 31.000 32.013 -1.013 19872 349 1 1 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.445 -0.275 19872 350 1 1 . 1 1 107 107 PRO C C 107 175.900 175.900 175.874 0.026 19872 351 1 1 . 1 1 107 107 PRO CA C 107 63.700 63.700 64.588 -0.888 19872 352 1 1 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.441 -0.841 19872 353 1 1 . 1 1 108 108 THR N N 108 110.500 110.500 112.181 -1.681 19872 354 1 1 . 1 1 108 108 THR HA H 108 4.300 4.300 4.504 -0.204 19872 355 1 1 . 1 1 108 108 THR C C 108 171.400 171.400 172.465 -1.065 19872 356 1 1 . 1 1 108 108 THR CA C 108 60.400 60.400 61.388 -0.987 19872 357 1 1 . 1 1 108 108 THR CB C 108 70.400 70.400 69.940 0.460 19872 358 1 1 . 1 1 109 109 ILE N N 109 123.100 123.100 122.109 0.991 19872 359 1 1 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.857 -0.597 19872 360 1 1 . 1 1 109 109 ILE C C 109 175.000 175.000 173.345 1.655 19872 361 1 1 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.736 -1.836 19872 362 1 1 . 1 1 109 109 ILE CB C 109 40.100 40.100 39.468 0.632 19872 363 1 1 . 1 1 110 110 PRO HA H 110 5.340 5.340 5.460 -0.120 19872 364 1 1 . 1 1 110 110 PRO C C 110 175.600 175.600 175.890 -0.290 19872 365 1 1 . 1 1 110 110 PRO CA C 110 61.500 61.500 61.822 -0.322 19872 366 1 1 . 1 1 110 110 PRO CB C 110 37.500 37.500 32.923 4.577 19872 367 1 1 . 1 1 111 111 GLN N N 111 114.700 114.700 120.703 -6.003 19872 368 1 1 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.443 -0.513 19872 369 1 1 . 1 1 111 111 GLN C C 111 174.100 174.100 174.442 -0.342 19872 370 1 1 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.435 0.965 19872 371 1 1 . 1 1 111 111 GLN CB C 111 33.900 33.900 33.986 -0.086 19872 372 1 1 . 1 1 112 112 VAL N N 112 121.000 121.000 119.319 1.681 19872 373 1 1 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.272 -0.492 19872 374 1 1 . 1 1 112 112 VAL C C 112 172.300 172.300 173.510 -1.210 19872 375 1 1 . 1 1 112 112 VAL CA C 112 61.200 61.200 60.000 1.200 19872 376 1 1 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.361 -1.861 19872 377 1 1 . 1 1 113 113 TYR N N 113 128.400 128.400 125.711 2.689 19872 378 1 1 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.293 -0.323 19872 379 1 1 . 1 1 113 113 TYR C C 113 173.800 173.800 174.591 -0.791 19872 380 1 1 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.648 0.052 19872 381 1 1 . 1 1 113 113 TYR CB C 113 41.000 41.000 40.722 0.278 19872 382 1 1 . 1 1 114 114 LEU N N 114 117.900 117.900 123.961 -6.061 19872 383 1 1 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.192 0.138 19872 384 1 1 . 1 1 114 114 LEU C C 114 178.300 178.300 177.513 0.787 19872 385 1 1 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.665 -1.565 19872 386 1 1 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.436 -0.136 19872 387 1 1 . 1 1 115 115 ASN N N 115 125.000 125.000 123.744 1.256 19872 388 1 1 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.448 0.052 19872 389 1 1 . 1 1 115 115 ASN C C 115 175.500 175.500 175.607 -0.107 19872 390 1 1 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.218 -1.518 19872 391 1 1 . 1 1 115 115 ASN CB C 115 38.700 38.700 37.977 0.723 19872 392 1 1 . 1 1 116 116 GLY N N 116 105.000 105.000 102.664 2.336 19872 393 1 1 . 1 1 116 116 GLY C C 116 172.900 172.900 173.292 -0.392 19872 394 1 1 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.642 -0.542 19872 395 1 1 . 1 1 117 117 GLU N N 117 118.900 118.900 120.022 -1.122 19872 396 1 1 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.828 -0.078 19872 397 1 1 . 1 1 117 117 GLU C C 117 174.700 174.700 174.948 -0.248 19872 398 1 1 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.324 -0.324 19872 399 1 1 . 1 1 117 117 GLU CB C 117 31.600 31.600 32.670 -1.070 19872 400 1 1 . 1 1 118 118 PHE N N 118 124.400 124.400 124.952 -0.552 19872 401 1 1 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.260 -1.070 19872 402 1 1 . 1 1 118 118 PHE C C 118 175.500 175.500 174.674 0.826 19872 403 1 1 . 1 1 118 118 PHE CA C 118 57.500 57.500 58.555 -1.055 19872 404 1 1 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.531 -1.431 19872 405 1 1 . 1 1 119 119 VAL N N 119 126.900 126.900 126.068 0.832 19872 406 1 1 . 1 1 119 119 VAL HA H 119 3.710 3.710 3.992 -0.282 19872 407 1 1 . 1 1 119 119 VAL C C 119 174.200 174.200 174.384 -0.184 19872 408 1 1 . 1 1 119 119 VAL CA C 119 61.900 61.900 61.937 -0.037 19872 409 1 1 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.594 -2.194 19872 410 1 1 . 1 1 120 120 GLY N N 120 101.400 101.400 105.684 -4.284 19872 411 1 1 . 1 1 120 120 GLY CA C 120 44.100 44.100 44.833 -0.733 19872 412 1 1 . 1 1 121 121 GLY N N 121 106.300 106.300 106.291 0.009 19872 413 1 1 . 1 1 121 121 GLY C C 121 173.100 173.100 174.902 -1.802 19872 414 1 1 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.571 -0.371 19872 415 1 1 . 1 1 122 122 CYS N N 122 119.400 119.400 118.849 0.551 19872 416 1 1 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.106 -0.446 19872 417 1 1 . 1 1 122 122 CYS C C 122 174.800 174.800 175.986 -1.186 19872 418 1 1 . 1 1 122 122 CYS CA C 122 61.800 61.800 62.213 -0.413 19872 419 1 1 . 1 1 122 122 CYS CB C 122 26.600 26.600 27.670 -1.070 19872 420 1 1 . 1 1 123 123 ASP N N 123 117.700 117.700 119.717 -2.017 19872 421 1 1 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.280 -0.041 19872 422 1 1 . 1 1 123 123 ASP C C 123 179.100 179.100 177.945 1.155 19872 423 1 1 . 1 1 123 123 ASP CA C 123 57.700 57.700 57.414 0.286 19872 424 1 1 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.322 -1.122 19872 425 1 1 . 1 1 124 124 ILE N N 124 120.700 120.700 120.053 0.647 19872 426 1 1 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.811 -0.091 19872 427 1 1 . 1 1 124 124 ILE C C 124 177.200 177.200 178.101 -0.901 19872 428 1 1 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.245 0.855 19872 429 1 1 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.216 -0.216 19872 430 1 1 . 1 1 125 125 LEU N N 125 122.000 122.000 121.726 0.274 19872 431 1 1 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.968 -0.138 19872 432 1 1 . 1 1 125 125 LEU C C 125 178.800 178.800 178.445 0.355 19872 433 1 1 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.431 -1.031 19872 434 1 1 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.655 -0.855 19872 435 1 1 . 1 1 126 126 LEU N N 126 118.200 118.200 116.519 1.681 19872 436 1 1 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.098 -0.138 19872 437 1 1 . 1 1 126 126 LEU C C 126 179.100 179.100 178.663 0.437 19872 438 1 1 . 1 1 126 126 LEU CA C 126 57.800 57.800 57.217 0.583 19872 439 1 1 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.843 -0.043 19872 440 1 1 . 1 1 127 127 GLN N N 127 119.900 119.900 118.101 1.799 19872 441 1 1 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.140 -0.170 19872 442 1 1 . 1 1 127 127 GLN C C 127 178.200 178.200 178.478 -0.278 19872 443 1 1 . 1 1 127 127 GLN CA C 127 59.000 59.000 58.131 0.869 19872 444 1 1 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.670 -0.770 19872 445 1 1 . 1 1 128 128 MET N N 128 117.500 117.500 118.312 -0.812 19872 446 1 1 . 1 1 128 128 MET HA H 128 4.360 4.360 4.155 0.205 19872 447 1 1 . 1 1 128 128 MET C C 128 179.600 179.600 178.608 0.992 19872 448 1 1 . 1 1 128 128 MET CA C 128 57.800 57.800 58.819 -1.019 19872 449 1 1 . 1 1 128 128 MET CB C 128 33.500 33.500 32.551 0.949 19872 450 1 1 . 1 1 129 129 HIS N N 129 122.300 122.300 120.098 2.202 19872 451 1 1 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.346 0.004 19872 452 1 1 . 1 1 129 129 HIS C C 129 177.000 177.000 177.568 -0.568 19872 453 1 1 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.204 -1.004 19872 454 1 1 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.805 1.295 19872 455 1 1 . 1 1 130 130 GLN N N 130 116.700 116.700 116.610 0.090 19872 456 1 1 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.038 -0.278 19872 457 1 1 . 1 1 130 130 GLN C C 130 177.600 177.600 177.436 0.164 19872 458 1 1 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.294 0.506 19872 459 1 1 . 1 1 130 130 GLN CB C 130 28.300 28.300 28.971 -0.671 19872 460 1 1 . 1 1 131 131 ASN N N 131 114.200 114.200 117.862 -3.662 19872 461 1 1 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.630 -0.010 19872 462 1 1 . 1 1 131 131 ASN C C 131 176.600 176.600 176.205 0.395 19872 463 1 1 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.524 -1.224 19872 464 1 1 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.484 -1.484 19872 465 1 1 . 1 1 132 132 GLY N N 132 106.600 106.600 106.334 0.266 19872 466 1 1 . 1 1 132 132 GLY C C 132 175.300 175.300 174.777 0.523 19872 467 1 1 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.063 0.137 19872 468 1 1 . 1 1 133 133 ASP N N 133 122.900 122.900 121.486 1.414 19872 469 1 1 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.686 -0.316 19872 470 1 1 . 1 1 133 133 ASP C C 133 178.700 178.700 177.745 0.955 19872 471 1 1 . 1 1 133 133 ASP CA C 133 56.700 56.700 55.811 0.889 19872 472 1 1 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.781 -0.781 19872 473 1 1 . 1 1 134 134 LEU N N 134 118.900 118.900 118.997 -0.097 19872 474 1 1 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.086 -0.306 19872 475 1 1 . 1 1 134 134 LEU C C 134 177.300 177.300 177.731 -0.431 19872 476 1 1 . 1 1 134 134 LEU CA C 134 57.300 57.300 56.988 0.312 19872 477 1 1 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.666 -1.666 19872 478 1 1 . 1 1 135 135 VAL N N 135 116.600 116.600 118.575 -1.975 19872 479 1 1 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.689 -0.289 19872 480 1 1 . 1 1 135 135 VAL C C 135 178.300 178.300 178.130 0.170 19872 481 1 1 . 1 1 135 135 VAL CA C 135 66.800 66.800 65.643 1.157 19872 482 1 1 . 1 1 135 135 VAL CB C 135 31.200 31.200 30.905 0.295 19872 483 1 1 . 1 1 136 136 GLU N N 136 118.600 118.600 119.693 -1.093 19872 484 1 1 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.016 0.004 19872 485 1 1 . 1 1 136 136 GLU C C 136 178.800 178.800 179.051 -0.251 19872 486 1 1 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.221 -1.221 19872 487 1 1 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.857 -0.357 19872 488 1 1 . 1 1 137 137 GLU N N 137 119.500 119.500 120.270 -0.770 19872 489 1 1 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.088 -0.198 19872 490 1 1 . 1 1 137 137 GLU C C 137 179.500 179.500 179.145 0.355 19872 491 1 1 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.924 -0.924 19872 492 1 1 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.386 -0.786 19872 493 1 1 . 1 1 138 138 LEU N N 138 117.400 117.400 119.137 -1.737 19872 494 1 1 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.900 -0.010 19872 495 1 1 . 1 1 138 138 LEU C C 138 179.200 179.200 178.890 0.310 19872 496 1 1 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.789 -0.289 19872 497 1 1 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.786 -2.486 19872 498 1 1 . 1 1 139 139 LYS N N 139 121.100 121.100 119.247 1.853 19872 499 1 1 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.209 -0.359 19872 500 1 1 . 1 1 139 139 LYS C C 139 180.900 180.900 179.691 1.209 19872 501 1 1 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.248 0.352 19872 502 1 1 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.117 -0.317 19872 503 1 1 . 1 1 140 140 LYS N N 140 119.800 119.800 119.605 0.195 19872 504 1 1 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.042 -0.102 19872 505 1 1 . 1 1 140 140 LYS C C 140 177.600 177.600 177.737 -0.137 19872 506 1 1 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.900 -0.200 19872 507 1 1 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.135 -0.235 19872 508 1 1 . 1 1 141 141 LEU N N 141 116.600 116.600 117.241 -0.641 19872 509 1 1 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.325 -0.005 19872 510 1 1 . 1 1 141 141 LEU C C 141 176.400 176.400 177.933 -1.533 19872 511 1 1 . 1 1 141 141 LEU CA C 141 53.600 53.600 55.035 -1.435 19872 512 1 1 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.842 0.158 19872 513 1 1 . 1 1 142 142 GLY N N 142 107.200 107.200 107.336 -0.136 19872 514 1 1 . 1 1 142 142 GLY C C 142 173.900 173.900 174.541 -0.641 19872 515 1 1 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.364 -0.363 19872 516 1 1 . 1 1 143 143 ILE N N 143 121.600 121.600 120.699 0.901 19872 517 1 1 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.206 -0.186 19872 518 1 1 . 1 1 143 143 ILE C C 143 173.900 173.900 175.069 -1.169 19872 519 1 1 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.083 -1.083 19872 520 1 1 . 1 1 143 143 ILE CB C 143 38.700 38.700 39.306 -0.606 19872 521 1 1 . 1 1 144 144 HIS N N 144 128.000 128.000 124.795 3.205 19872 522 1 1 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.831 -0.491 19872 523 1 1 . 1 1 144 144 HIS C C 144 173.800 173.800 174.571 -0.771 19872 524 1 1 . 1 1 144 144 HIS CA C 144 54.300 54.300 54.741 -0.441 19872 525 1 1 . 1 1 144 144 HIS CB C 144 28.600 28.600 31.028 -2.428 19872 526 1 1 . 1 1 145 145 SER N N 145 121.400 121.400 123.323 -1.923 19872 527 1 1 . 1 1 145 145 SER HA H 145 4.470 4.470 4.574 -0.104 19872 528 1 1 . 1 1 145 145 SER CA C 145 57.800 57.800 58.195 -0.395 19872 529 1 1 . 1 1 145 145 SER CB C 145 62.200 62.200 63.729 -1.529 19872 530 1 1 . 1 1 146 146 ALA N N 146 130.100 130.100 131.430 -1.330 19872 531 1 1 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.245 -0.065 19872 532 1 1 . 1 1 146 146 ALA C C 146 178.100 178.100 178.611 -0.511 19872 533 1 1 . 1 1 146 146 ALA CA C 146 52.900 52.900 53.735 -0.835 19872 534 1 1 . 1 1 146 146 ALA CB C 146 17.700 17.700 18.800 -1.100 19872 535 1 1 . 1 1 147 147 LEU N N 147 117.800 117.800 118.356 -0.556 19872 536 1 1 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.144 -0.084 19872 537 1 1 . 1 1 147 147 LEU C C 147 177.700 177.700 178.836 -1.136 19872 538 1 1 . 1 1 147 147 LEU CA C 147 55.100 55.100 56.139 -1.039 19872 539 1 1 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.452 -1.052 19872 540 1 1 . 1 1 148 148 LEU N N 148 120.100 120.100 120.343 -0.243 19872 541 1 1 . 1 1 148 148 LEU HA H 148 4.180 4.180 4.048 0.132 19872 542 1 1 . 1 1 148 148 LEU C C 148 176.500 176.500 178.038 -1.538 19872 543 1 1 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.813 -3.113 19872 544 1 1 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.021 0.979 19872 545 1 1 . 1 1 149 149 ASP N N 149 121.900 121.900 117.467 4.433 19872 546 1 1 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.696 -0.096 19872 547 1 1 . 1 1 149 149 ASP C C 149 174.800 174.800 175.930 -1.130 19872 548 1 1 . 1 1 149 149 ASP CA C 149 53.900 53.900 53.897 0.003 19872 549 1 1 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.392 -0.792 19872 550 1 2 . 1 1 2 2 SER HA H 2 4.360 4.360 4.373 -0.013 19872 551 1 2 . 1 1 2 2 SER C C 2 173.800 173.800 173.937 -0.137 19872 552 1 2 . 1 1 2 2 SER CA C 2 58.000 58.000 59.238 -1.238 19872 553 1 2 . 1 1 2 2 SER CB C 2 63.100 63.100 63.387 -0.287 19872 554 1 2 . 1 1 3 3 PHE N N 3 122.000 122.000 120.516 1.484 19872 555 1 2 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.860 -0.250 19872 556 1 2 . 1 1 3 3 PHE C C 3 175.300 175.300 174.632 0.668 19872 557 1 2 . 1 1 3 3 PHE CA C 3 57.300 57.300 57.198 0.102 19872 558 1 2 . 1 1 3 3 PHE CB C 3 39.300 39.300 41.394 -2.094 19872 559 1 2 . 1 1 4 4 THR N N 4 116.900 116.900 112.270 4.630 19872 560 1 2 . 1 1 4 4 THR HA H 4 4.180 4.180 4.071 0.109 19872 561 1 2 . 1 1 4 4 THR C C 4 173.800 173.800 174.355 -0.555 19872 562 1 2 . 1 1 4 4 THR CA C 4 61.000 61.000 62.919 -1.919 19872 563 1 2 . 1 1 4 4 THR CB C 4 69.300 69.300 69.152 0.148 19872 564 1 2 . 1 1 36 36 ALA N N 36 123.600 123.600 122.340 1.260 19872 565 1 2 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.588 -0.358 19872 566 1 2 . 1 1 36 36 ALA C C 36 178.100 178.100 175.676 2.424 19872 567 1 2 . 1 1 36 36 ALA CA C 36 52.000 52.000 52.005 -0.005 19872 568 1 2 . 1 1 36 36 ALA CB C 36 18.700 18.700 20.616 -1.917 19872 569 1 2 . 1 1 37 37 GLY N N 37 108.200 108.200 106.108 2.092 19872 570 1 2 . 1 1 37 37 GLY C C 37 174.500 174.500 173.254 1.246 19872 571 1 2 . 1 1 37 37 GLY CA C 37 44.800 44.800 45.784 -0.984 19872 572 1 2 . 1 1 38 38 GLY N N 38 108.200 108.200 106.568 1.632 19872 573 1 2 . 1 1 38 38 GLY C C 38 174.500 174.500 174.397 0.103 19872 574 1 2 . 1 1 38 38 GLY CA C 38 44.700 44.700 45.759 -1.059 19872 575 1 2 . 1 1 39 39 GLY N N 39 108.600 108.600 106.975 1.625 19872 576 1 2 . 1 1 39 39 GLY C C 39 174.100 174.100 174.775 -0.675 19872 577 1 2 . 1 1 39 39 GLY CA C 39 44.800 44.800 45.042 -0.242 19872 578 1 2 . 1 1 40 40 GLY N N 40 107.700 107.700 107.758 -0.058 19872 579 1 2 . 1 1 40 40 GLY C C 40 174.100 174.100 173.251 0.849 19872 580 1 2 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.700 0.000 19872 581 1 2 . 1 1 41 41 SER N N 41 115.700 115.700 113.956 1.744 19872 582 1 2 . 1 1 41 41 SER HA H 41 4.220 4.220 4.040 0.180 19872 583 1 2 . 1 1 41 41 SER C C 41 174.800 174.800 175.100 -0.300 19872 584 1 2 . 1 1 41 41 SER CA C 41 58.400 58.400 58.449 -0.049 19872 585 1 2 . 1 1 41 41 SER CB C 41 63.100 63.100 63.370 -0.270 19872 586 1 2 . 1 1 42 42 ALA N N 42 124.700 124.700 124.829 -0.129 19872 587 1 2 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.093 -0.143 19872 588 1 2 . 1 1 42 42 ALA C C 42 178.800 178.800 179.276 -0.476 19872 589 1 2 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.013 -0.313 19872 590 1 2 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.855 -1.155 19872 591 1 2 . 1 1 43 43 GLU N N 43 116.700 116.700 117.181 -0.481 19872 592 1 2 . 1 1 43 43 GLU HA H 43 3.950 3.950 3.995 -0.045 19872 593 1 2 . 1 1 43 43 GLU C C 43 178.800 178.800 178.024 0.776 19872 594 1 2 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.355 0.145 19872 595 1 2 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.674 -0.074 19872 596 1 2 . 1 1 44 44 GLN N N 44 119.400 119.400 119.785 -0.385 19872 597 1 2 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.162 -0.192 19872 598 1 2 . 1 1 44 44 GLN C C 44 178.200 178.200 177.991 0.209 19872 599 1 2 . 1 1 44 44 GLN CA C 44 57.600 57.600 58.069 -0.469 19872 600 1 2 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.835 -0.735 19872 601 1 2 . 1 1 45 45 LEU N N 45 121.700 121.700 120.623 1.077 19872 602 1 2 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.658 -0.088 19872 603 1 2 . 1 1 45 45 LEU C C 45 177.300 177.300 178.946 -1.646 19872 604 1 2 . 1 1 45 45 LEU CA C 45 56.500 56.500 57.803 -1.304 19872 605 1 2 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.158 -0.658 19872 606 1 2 . 1 1 46 46 ASP N N 46 118.000 118.000 119.236 -1.236 19872 607 1 2 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.512 -0.482 19872 608 1 2 . 1 1 46 46 ASP C C 46 176.800 176.800 178.248 -1.448 19872 609 1 2 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.525 -0.925 19872 610 1 2 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.442 1.158 19872 611 1 2 . 1 1 47 47 ALA N N 47 116.100 116.100 121.322 -5.222 19872 612 1 2 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.157 -0.267 19872 613 1 2 . 1 1 47 47 ALA C C 47 180.300 180.300 178.580 1.720 19872 614 1 2 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.219 -0.219 19872 615 1 2 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.830 -1.430 19872 616 1 2 . 1 1 48 48 LEU N N 48 117.800 117.800 118.088 -0.288 19872 617 1 2 . 1 1 48 48 LEU HA H 48 3.840 3.840 3.999 -0.159 19872 618 1 2 . 1 1 48 48 LEU C C 48 180.100 180.100 179.111 0.989 19872 619 1 2 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.451 -0.051 19872 620 1 2 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.562 -0.662 19872 621 1 2 . 1 1 49 49 VAL N N 49 112.100 112.100 114.838 -2.738 19872 622 1 2 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.828 0.052 19872 623 1 2 . 1 1 49 49 VAL C C 49 176.000 176.000 177.465 -1.465 19872 624 1 2 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.175 -0.975 19872 625 1 2 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.099 -0.099 19872 626 1 2 . 1 1 50 50 LYS N N 50 115.400 115.400 119.102 -3.702 19872 627 1 2 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.405 -0.245 19872 628 1 2 . 1 1 50 50 LYS C C 50 177.900 177.900 177.165 0.735 19872 629 1 2 . 1 1 50 50 LYS CA C 50 56.200 56.200 55.662 0.538 19872 630 1 2 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.703 0.697 19872 631 1 2 . 1 1 51 51 LYS N N 51 119.000 119.000 118.626 0.374 19872 632 1 2 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.233 -0.313 19872 633 1 2 . 1 1 51 51 LYS C C 51 174.700 174.700 176.392 -1.692 19872 634 1 2 . 1 1 51 51 LYS CA C 51 58.000 58.000 57.993 0.007 19872 635 1 2 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.965 -0.665 19872 636 1 2 . 1 1 52 52 ASP N N 52 113.400 113.400 116.235 -2.835 19872 637 1 2 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.861 0.129 19872 638 1 2 . 1 1 52 52 ASP C C 52 174.400 174.400 175.101 -0.701 19872 639 1 2 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.938 -1.138 19872 640 1 2 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.730 1.870 19872 641 1 2 . 1 1 53 53 LYS N N 53 119.500 119.500 119.146 0.354 19872 642 1 2 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.415 -0.405 19872 643 1 2 . 1 1 53 53 LYS C C 53 176.100 176.100 176.398 -0.298 19872 644 1 2 . 1 1 53 53 LYS CA C 53 59.800 59.800 56.809 2.991 19872 645 1 2 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.554 0.046 19872 646 1 2 . 1 1 54 54 VAL N N 54 117.700 117.700 119.800 -2.100 19872 647 1 2 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.723 -0.103 19872 648 1 2 . 1 1 54 54 VAL C C 54 173.700 173.700 174.250 -0.550 19872 649 1 2 . 1 1 54 54 VAL CA C 54 60.900 60.900 61.796 -0.896 19872 650 1 2 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.707 -0.407 19872 651 1 2 . 1 1 55 55 VAL N N 55 127.100 127.100 127.400 -0.300 19872 652 1 2 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.735 0.215 19872 653 1 2 . 1 1 55 55 VAL C C 55 174.400 174.400 175.337 -0.937 19872 654 1 2 . 1 1 55 55 VAL CA C 55 60.600 60.600 61.687 -1.087 19872 655 1 2 . 1 1 55 55 VAL CB C 55 35.200 35.200 32.433 2.767 19872 656 1 2 . 1 1 56 56 VAL N N 56 119.700 119.700 127.061 -7.361 19872 657 1 2 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.074 0.366 19872 658 1 2 . 1 1 56 56 VAL C C 56 173.400 173.400 174.811 -1.411 19872 659 1 2 . 1 1 56 56 VAL CA C 56 58.000 58.000 60.919 -2.919 19872 660 1 2 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.465 0.335 19872 661 1 2 . 1 1 57 57 PHE N N 57 122.400 122.400 123.970 -1.570 19872 662 1 2 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.290 -0.080 19872 663 1 2 . 1 1 57 57 PHE C C 57 174.800 174.800 174.048 0.752 19872 664 1 2 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.262 -0.862 19872 665 1 2 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.557 -0.857 19872 666 1 2 . 1 1 58 58 LEU N N 58 120.500 120.500 120.755 -0.255 19872 667 1 2 . 1 1 58 58 LEU HA H 58 4.700 4.700 4.930 -0.230 19872 668 1 2 . 1 1 58 58 LEU C C 58 175.500 175.500 175.288 0.212 19872 669 1 2 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.860 -0.860 19872 670 1 2 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.096 0.004 19872 671 1 2 . 1 1 59 59 LYS N N 59 117.800 117.800 121.024 -3.224 19872 672 1 2 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.418 -0.068 19872 673 1 2 . 1 1 59 59 LYS C C 59 175.200 175.200 175.967 -0.767 19872 674 1 2 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.109 -0.009 19872 675 1 2 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.364 0.936 19872 676 1 2 . 1 1 60 60 GLY N N 60 114.800 114.800 110.172 4.628 19872 677 1 2 . 1 1 60 60 GLY C C 60 170.300 170.300 172.575 -2.275 19872 678 1 2 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.657 -1.757 19872 679 1 2 . 1 1 61 61 THR N N 61 107.800 107.800 111.293 -3.493 19872 680 1 2 . 1 1 61 61 THR HA H 61 4.740 4.740 4.999 -0.259 19872 681 1 2 . 1 1 61 61 THR C C 61 173.100 173.100 173.214 -0.114 19872 682 1 2 . 1 1 61 61 THR CA C 61 57.400 57.400 59.314 -1.914 19872 683 1 2 . 1 1 61 61 THR CB C 61 68.800 68.800 70.564 -1.764 19872 684 1 2 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.522 -0.552 19872 685 1 2 . 1 1 62 62 PRO C C 62 177.200 177.200 177.427 -0.227 19872 686 1 2 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.921 -0.021 19872 687 1 2 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.250 -1.150 19872 688 1 2 . 1 1 63 63 GLU N N 63 111.900 111.900 116.095 -4.195 19872 689 1 2 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.293 -0.353 19872 690 1 2 . 1 1 63 63 GLU C C 63 176.500 176.500 177.132 -0.632 19872 691 1 2 . 1 1 63 63 GLU CA C 63 58.100 58.100 56.918 1.182 19872 692 1 2 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.446 -0.246 19872 693 1 2 . 1 1 64 64 GLN N N 64 117.700 117.700 119.577 -1.877 19872 694 1 2 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.771 -0.291 19872 695 1 2 . 1 1 64 64 GLN C C 64 171.500 171.500 173.548 -2.048 19872 696 1 2 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.446 -0.046 19872 697 1 2 . 1 1 64 64 GLN CB C 64 29.100 29.100 31.182 -2.082 19872 698 1 2 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.657 -0.107 19872 699 1 2 . 1 1 65 65 PRO C C 65 177.900 177.900 177.584 0.316 19872 700 1 2 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.640 0.360 19872 701 1 2 . 1 1 65 65 PRO CB C 65 31.700 31.700 31.830 -0.130 19872 702 1 2 . 1 1 66 66 GLN N N 66 119.700 119.700 123.278 -3.578 19872 703 1 2 . 1 1 66 66 GLN HA H 66 4.500 4.500 3.987 0.513 19872 704 1 2 . 1 1 66 66 GLN C C 66 174.400 174.400 175.956 -1.556 19872 705 1 2 . 1 1 66 66 GLN CA C 66 54.600 54.600 58.018 -3.418 19872 706 1 2 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.526 0.574 19872 707 1 2 . 1 1 67 67 CYS N N 67 116.700 116.700 115.814 0.886 19872 708 1 2 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.609 0.091 19872 709 1 2 . 1 1 67 67 CYS C C 67 176.500 176.500 174.501 1.999 19872 710 1 2 . 1 1 67 67 CYS CA C 67 58.700 58.700 58.100 0.600 19872 711 1 2 . 1 1 67 67 CYS CB C 67 32.800 32.800 29.119 3.681 19872 712 1 2 . 1 1 68 68 GLY C C 68 176.500 176.500 175.411 1.089 19872 713 1 2 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.501 0.399 19872 714 1 2 . 1 1 69 69 PHE N N 69 125.800 125.800 115.482 10.318 19872 715 1 2 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.044 0.666 19872 716 1 2 . 1 1 69 69 PHE C C 69 178.300 178.300 176.755 1.545 19872 717 1 2 . 1 1 69 69 PHE CA C 69 59.900 59.900 60.026 -0.126 19872 718 1 2 . 1 1 69 69 PHE CB C 69 37.900 37.900 37.847 0.053 19872 719 1 2 . 1 1 70 70 SER N N 70 124.200 124.200 115.488 8.712 19872 720 1 2 . 1 1 70 70 SER HA H 70 3.980 3.980 4.238 -0.258 19872 721 1 2 . 1 1 70 70 SER CA C 70 63.800 63.800 61.993 1.807 19872 722 1 2 . 1 1 70 70 SER CB C 70 62.000 62.000 63.300 -1.300 19872 723 1 2 . 1 1 71 71 ASN N N 71 118.500 118.500 119.496 -0.996 19872 724 1 2 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.600 -0.450 19872 725 1 2 . 1 1 71 71 ASN C C 71 175.800 175.800 176.756 -0.956 19872 726 1 2 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.384 1.016 19872 727 1 2 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.341 0.459 19872 728 1 2 . 1 1 72 72 ALA N N 72 119.900 119.900 122.791 -2.891 19872 729 1 2 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.085 -0.105 19872 730 1 2 . 1 1 72 72 ALA C C 72 179.700 179.700 179.629 0.071 19872 731 1 2 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.950 -0.150 19872 732 1 2 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.068 -0.368 19872 733 1 2 . 1 1 73 73 VAL N N 73 115.700 115.700 114.674 1.026 19872 734 1 2 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.707 -0.367 19872 735 1 2 . 1 1 73 73 VAL C C 73 176.300 176.300 177.474 -1.174 19872 736 1 2 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.867 0.333 19872 737 1 2 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.493 -0.393 19872 738 1 2 . 1 1 74 74 VAL N N 74 118.100 118.100 120.566 -2.466 19872 739 1 2 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.628 -0.298 19872 740 1 2 . 1 1 74 74 VAL C C 74 178.800 178.800 178.194 0.606 19872 741 1 2 . 1 1 74 74 VAL CA C 74 66.100 66.100 65.908 0.192 19872 742 1 2 . 1 1 74 74 VAL CB C 74 31.100 31.100 30.867 0.233 19872 743 1 2 . 1 1 75 75 GLN N N 75 119.000 119.000 119.907 -0.907 19872 744 1 2 . 1 1 75 75 GLN HA H 75 3.910 3.910 4.031 -0.121 19872 745 1 2 . 1 1 75 75 GLN C C 75 178.500 178.500 178.839 -0.339 19872 746 1 2 . 1 1 75 75 GLN CA C 75 57.900 57.900 59.064 -1.164 19872 747 1 2 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.319 -1.219 19872 748 1 2 . 1 1 76 76 ILE N N 76 120.600 120.600 120.681 -0.081 19872 749 1 2 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.404 -0.084 19872 750 1 2 . 1 1 76 76 ILE C C 76 177.600 177.600 178.300 -0.700 19872 751 1 2 . 1 1 76 76 ILE CA C 76 64.700 64.700 65.372 -0.672 19872 752 1 2 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.579 -0.679 19872 753 1 2 . 1 1 77 77 LEU N N 77 117.800 117.800 119.413 -1.613 19872 754 1 2 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.970 -0.240 19872 755 1 2 . 1 1 77 77 LEU C C 77 178.400 178.400 179.245 -0.845 19872 756 1 2 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.343 -0.243 19872 757 1 2 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.648 -2.248 19872 758 1 2 . 1 1 78 78 ARG N N 78 118.800 118.800 119.287 -0.487 19872 759 1 2 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.353 -0.273 19872 760 1 2 . 1 1 78 78 ARG C C 78 180.800 180.800 179.462 1.338 19872 761 1 2 . 1 1 78 78 ARG CA C 78 58.900 58.900 58.987 -0.087 19872 762 1 2 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.763 -0.463 19872 763 1 2 . 1 1 79 79 LEU N N 79 123.200 123.200 121.367 1.833 19872 764 1 2 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.076 -0.186 19872 765 1 2 . 1 1 79 79 LEU C C 79 178.200 178.200 178.375 -0.175 19872 766 1 2 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.702 -0.202 19872 767 1 2 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.871 -0.371 19872 768 1 2 . 1 1 80 80 HIS N N 80 112.200 112.200 114.798 -2.598 19872 769 1 2 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.602 -0.502 19872 770 1 2 . 1 1 80 80 HIS C C 80 176.000 176.000 176.548 -0.548 19872 771 1 2 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.562 0.438 19872 772 1 2 . 1 1 80 80 HIS CB C 80 31.700 31.700 29.923 1.777 19872 773 1 2 . 1 1 81 81 GLY N N 81 111.700 111.700 107.839 3.861 19872 774 1 2 . 1 1 81 81 GLY C C 81 174.000 174.000 174.013 -0.013 19872 775 1 2 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.561 0.039 19872 776 1 2 . 1 1 82 82 VAL N N 82 120.400 120.400 122.737 -2.337 19872 777 1 2 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.259 -0.449 19872 778 1 2 . 1 1 82 82 VAL C C 82 174.800 174.800 175.258 -0.458 19872 779 1 2 . 1 1 82 82 VAL CA C 82 62.200 62.200 62.246 -0.046 19872 780 1 2 . 1 1 82 82 VAL CB C 82 29.700 29.700 32.293 -2.593 19872 781 1 2 . 1 1 83 83 ARG N N 83 126.600 126.600 124.066 2.534 19872 782 1 2 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.309 0.051 19872 783 1 2 . 1 1 83 83 ARG C C 83 176.000 176.000 175.412 0.588 19872 784 1 2 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.842 -0.242 19872 785 1 2 . 1 1 83 83 ARG CB C 83 31.100 31.100 31.044 0.056 19872 786 1 2 . 1 1 84 84 ASP N N 84 118.400 118.400 120.214 -1.814 19872 787 1 2 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.492 0.058 19872 788 1 2 . 1 1 84 84 ASP C C 84 174.200 174.200 175.766 -1.566 19872 789 1 2 . 1 1 84 84 ASP CA C 84 53.000 53.000 52.931 0.069 19872 790 1 2 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.894 -0.894 19872 791 1 2 . 1 1 85 85 TYR N N 85 116.200 116.200 116.209 -0.009 19872 792 1 2 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.862 -0.112 19872 793 1 2 . 1 1 85 85 TYR C C 85 173.100 173.100 175.734 -2.634 19872 794 1 2 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.228 -1.228 19872 795 1 2 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.878 0.322 19872 796 1 2 . 1 1 86 86 ALA N N 86 125.000 125.000 123.262 1.738 19872 797 1 2 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.585 -0.365 19872 798 1 2 . 1 1 86 86 ALA C C 86 174.300 174.300 175.840 -1.540 19872 799 1 2 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.770 0.030 19872 800 1 2 . 1 1 86 86 ALA CB C 86 20.400 20.400 19.697 0.703 19872 801 1 2 . 1 1 87 87 ALA N N 87 124.400 124.400 130.022 -5.622 19872 802 1 2 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.533 0.637 19872 803 1 2 . 1 1 87 87 ALA C C 87 175.400 175.400 176.080 -0.680 19872 804 1 2 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.910 -2.010 19872 805 1 2 . 1 1 87 87 ALA CB C 87 21.400 21.400 19.005 2.395 19872 806 1 2 . 1 1 88 88 TYR N N 88 121.100 121.100 124.658 -3.558 19872 807 1 2 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.217 0.273 19872 808 1 2 . 1 1 88 88 TYR C C 88 174.100 174.100 174.858 -0.758 19872 809 1 2 . 1 1 88 88 TYR CA C 88 56.900 56.900 57.953 -1.053 19872 810 1 2 . 1 1 88 88 TYR CB C 88 40.200 40.200 38.544 1.656 19872 811 1 2 . 1 1 89 89 ASN N N 89 122.300 122.300 123.884 -1.584 19872 812 1 2 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.169 0.021 19872 813 1 2 . 1 1 89 89 ASN C C 89 178.000 178.000 176.684 1.316 19872 814 1 2 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.935 -2.135 19872 815 1 2 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.764 -0.764 19872 816 1 2 . 1 1 90 90 VAL N N 90 117.900 117.900 121.990 -4.090 19872 817 1 2 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.263 -0.083 19872 818 1 2 . 1 1 90 90 VAL C C 90 176.700 176.700 175.421 1.279 19872 819 1 2 . 1 1 90 90 VAL CA C 90 62.200 62.200 62.959 -0.759 19872 820 1 2 . 1 1 90 90 VAL CB C 90 30.500 30.500 30.911 -0.411 19872 821 1 2 . 1 1 91 91 LEU N N 91 118.900 118.900 119.616 -0.716 19872 822 1 2 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.405 -0.345 19872 823 1 2 . 1 1 91 91 LEU C C 91 177.500 177.500 178.006 -0.506 19872 824 1 2 . 1 1 91 91 LEU CA C 91 56.000 56.000 55.773 0.227 19872 825 1 2 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.738 -1.338 19872 826 1 2 . 1 1 92 92 ASP N N 92 115.500 115.500 119.144 -3.644 19872 827 1 2 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.538 0.132 19872 828 1 2 . 1 1 92 92 ASP C C 92 175.500 175.500 175.987 -0.487 19872 829 1 2 . 1 1 92 92 ASP CA C 92 54.100 54.100 56.063 -1.963 19872 830 1 2 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.669 -0.669 19872 831 1 2 . 1 1 93 93 ASP N N 93 115.000 115.000 117.041 -2.041 19872 832 1 2 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.079 -0.049 19872 833 1 2 . 1 1 93 93 ASP C C 93 172.800 172.800 174.976 -2.176 19872 834 1 2 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.730 -1.230 19872 835 1 2 . 1 1 93 93 ASP CB C 93 41.900 41.900 43.105 -1.204 19872 836 1 2 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.399 -0.129 19872 837 1 2 . 1 1 94 94 PRO C C 94 179.300 179.300 177.897 1.403 19872 838 1 2 . 1 1 94 94 PRO CA C 94 64.100 64.100 65.056 -0.956 19872 839 1 2 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.388 -0.588 19872 840 1 2 . 1 1 95 95 GLU N N 95 118.600 118.600 118.278 0.322 19872 841 1 2 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.143 -0.103 19872 842 1 2 . 1 1 95 95 GLU C C 95 179.500 179.500 179.128 0.372 19872 843 1 2 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.330 -0.730 19872 844 1 2 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.639 -0.039 19872 845 1 2 . 1 1 96 96 LEU N N 96 123.800 123.800 120.583 3.217 19872 846 1 2 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.048 -0.158 19872 847 1 2 . 1 1 96 96 LEU C C 96 177.200 177.200 178.914 -1.714 19872 848 1 2 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.381 -0.281 19872 849 1 2 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.865 -0.565 19872 850 1 2 . 1 1 97 97 ARG N N 97 117.900 117.900 119.400 -1.500 19872 851 1 2 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.852 -0.312 19872 852 1 2 . 1 1 97 97 ARG C C 97 176.400 176.400 178.618 -2.218 19872 853 1 2 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.243 -0.343 19872 854 1 2 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.174 0.226 19872 855 1 2 . 1 1 98 98 GLN N N 98 114.400 114.400 118.219 -3.819 19872 856 1 2 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.130 -0.310 19872 857 1 2 . 1 1 98 98 GLN C C 98 177.500 177.500 178.359 -0.859 19872 858 1 2 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.848 -1.948 19872 859 1 2 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.427 -0.427 19872 860 1 2 . 1 1 99 99 GLY N N 99 107.700 107.700 108.343 -0.643 19872 861 1 2 . 1 1 99 99 GLY C C 99 176.700 176.700 176.370 0.330 19872 862 1 2 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.364 -0.864 19872 863 1 2 . 1 1 100 100 ILE N N 100 120.900 120.900 122.403 -1.503 19872 864 1 2 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.972 0.008 19872 865 1 2 . 1 1 100 100 ILE C C 100 176.800 176.800 177.452 -0.652 19872 866 1 2 . 1 1 100 100 ILE CA C 100 60.500 60.500 60.830 -0.330 19872 867 1 2 . 1 1 100 100 ILE CB C 100 37.500 37.500 37.937 -0.437 19872 868 1 2 . 1 1 101 101 LYS N N 101 124.600 124.600 120.537 4.063 19872 869 1 2 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.286 -0.206 19872 870 1 2 . 1 1 101 101 LYS C C 101 178.900 178.900 177.998 0.902 19872 871 1 2 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.641 -0.940 19872 872 1 2 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.225 -0.425 19872 873 1 2 . 1 1 102 102 ASP N N 102 118.700 118.700 118.080 0.620 19872 874 1 2 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.546 -0.296 19872 875 1 2 . 1 1 102 102 ASP C C 102 177.700 177.700 178.746 -1.046 19872 876 1 2 . 1 1 102 102 ASP CA C 102 56.200 56.200 57.027 -0.827 19872 877 1 2 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.436 -1.736 19872 878 1 2 . 1 1 103 103 TYR N N 103 120.300 120.300 120.031 0.269 19872 879 1 2 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.206 -0.146 19872 880 1 2 . 1 1 103 103 TYR C C 103 176.600 176.600 177.058 -0.458 19872 881 1 2 . 1 1 103 103 TYR CA C 103 60.500 60.500 60.784 -0.284 19872 882 1 2 . 1 1 103 103 TYR CB C 103 39.900 39.900 39.149 0.751 19872 883 1 2 . 1 1 104 104 SER N N 104 110.900 110.900 113.953 -3.053 19872 884 1 2 . 1 1 104 104 SER HA H 104 3.900 3.900 4.154 -0.254 19872 885 1 2 . 1 1 104 104 SER C C 104 174.600 174.600 174.762 -0.162 19872 886 1 2 . 1 1 104 104 SER CA C 104 57.700 57.700 59.043 -1.343 19872 887 1 2 . 1 1 104 104 SER CB C 104 63.900 63.900 63.529 0.371 19872 888 1 2 . 1 1 105 105 ASN N N 105 117.900 117.900 117.763 0.137 19872 889 1 2 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.464 -0.264 19872 890 1 2 . 1 1 105 105 ASN C C 105 173.200 173.200 173.769 -0.569 19872 891 1 2 . 1 1 105 105 ASN CA C 105 53.800 53.800 54.752 -0.952 19872 892 1 2 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.098 -0.898 19872 893 1 2 . 1 1 106 106 TRP N N 106 120.600 120.600 118.100 2.500 19872 894 1 2 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.020 0.060 19872 895 1 2 . 1 1 106 106 TRP C C 106 175.400 175.400 174.613 0.787 19872 896 1 2 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.096 -1.597 19872 897 1 2 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.056 -0.056 19872 898 1 2 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.195 -0.025 19872 899 1 2 . 1 1 107 107 PRO C C 107 175.900 175.900 175.770 0.130 19872 900 1 2 . 1 1 107 107 PRO CA C 107 63.700 63.700 64.886 -1.186 19872 901 1 2 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.083 -0.483 19872 902 1 2 . 1 1 108 108 THR N N 108 110.500 110.500 110.521 -0.021 19872 903 1 2 . 1 1 108 108 THR HA H 108 4.300 4.300 4.469 -0.169 19872 904 1 2 . 1 1 108 108 THR C C 108 171.400 171.400 172.808 -1.408 19872 905 1 2 . 1 1 108 108 THR CA C 108 60.400 60.400 61.847 -1.447 19872 906 1 2 . 1 1 108 108 THR CB C 108 70.400 70.400 70.228 0.172 19872 907 1 2 . 1 1 109 109 ILE N N 109 123.100 123.100 125.877 -2.777 19872 908 1 2 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.531 -0.271 19872 909 1 2 . 1 1 109 109 ILE C C 109 175.000 175.000 173.683 1.317 19872 910 1 2 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.697 -1.797 19872 911 1 2 . 1 1 109 109 ILE CB C 109 40.100 40.100 41.179 -1.079 19872 912 1 2 . 1 1 110 110 PRO HA H 110 5.340 5.340 5.025 0.315 19872 913 1 2 . 1 1 110 110 PRO C C 110 175.600 175.600 175.542 0.058 19872 914 1 2 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.511 -1.011 19872 915 1 2 . 1 1 110 110 PRO CB C 110 37.500 37.500 33.282 4.218 19872 916 1 2 . 1 1 111 111 GLN N N 111 114.700 114.700 118.995 -4.295 19872 917 1 2 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.203 -0.273 19872 918 1 2 . 1 1 111 111 GLN C C 111 174.100 174.100 173.402 0.698 19872 919 1 2 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.411 0.989 19872 920 1 2 . 1 1 111 111 GLN CB C 111 33.900 33.900 32.936 0.964 19872 921 1 2 . 1 1 112 112 VAL N N 112 121.000 121.000 119.039 1.961 19872 922 1 2 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.287 -0.506 19872 923 1 2 . 1 1 112 112 VAL C C 112 172.300 172.300 173.419 -1.119 19872 924 1 2 . 1 1 112 112 VAL CA C 112 61.200 61.200 59.955 1.245 19872 925 1 2 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.461 -1.961 19872 926 1 2 . 1 1 113 113 TYR N N 113 128.400 128.400 125.678 2.722 19872 927 1 2 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.343 -0.373 19872 928 1 2 . 1 1 113 113 TYR C C 113 173.800 173.800 174.648 -0.848 19872 929 1 2 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.739 -0.039 19872 930 1 2 . 1 1 113 113 TYR CB C 113 41.000 41.000 40.545 0.455 19872 931 1 2 . 1 1 114 114 LEU N N 114 117.900 117.900 124.132 -6.232 19872 932 1 2 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.275 0.055 19872 933 1 2 . 1 1 114 114 LEU C C 114 178.300 178.300 177.524 0.776 19872 934 1 2 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.663 -1.563 19872 935 1 2 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.720 -0.420 19872 936 1 2 . 1 1 115 115 ASN N N 115 125.000 125.000 122.949 2.051 19872 937 1 2 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.468 0.032 19872 938 1 2 . 1 1 115 115 ASN C C 115 175.500 175.500 175.859 -0.359 19872 939 1 2 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.151 -1.451 19872 940 1 2 . 1 1 115 115 ASN CB C 115 38.700 38.700 38.262 0.438 19872 941 1 2 . 1 1 116 116 GLY N N 116 105.000 105.000 103.348 1.652 19872 942 1 2 . 1 1 116 116 GLY C C 116 172.900 172.900 173.860 -0.960 19872 943 1 2 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.772 -0.672 19872 944 1 2 . 1 1 117 117 GLU N N 117 118.900 118.900 120.535 -1.635 19872 945 1 2 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.817 -0.067 19872 946 1 2 . 1 1 117 117 GLU C C 117 174.700 174.700 175.176 -0.476 19872 947 1 2 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.337 -0.337 19872 948 1 2 . 1 1 117 117 GLU CB C 117 31.600 31.600 32.538 -0.938 19872 949 1 2 . 1 1 118 118 PHE N N 118 124.400 124.400 124.549 -0.149 19872 950 1 2 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.019 -0.829 19872 951 1 2 . 1 1 118 118 PHE C C 118 175.500 175.500 174.756 0.744 19872 952 1 2 . 1 1 118 118 PHE CA C 118 57.500 57.500 58.682 -1.182 19872 953 1 2 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.258 -1.158 19872 954 1 2 . 1 1 119 119 VAL N N 119 126.900 126.900 124.878 2.022 19872 955 1 2 . 1 1 119 119 VAL HA H 119 3.710 3.710 3.976 -0.266 19872 956 1 2 . 1 1 119 119 VAL C C 119 174.200 174.200 174.455 -0.255 19872 957 1 2 . 1 1 119 119 VAL CA C 119 61.900 61.900 61.934 -0.034 19872 958 1 2 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.862 -2.462 19872 959 1 2 . 1 1 120 120 GLY N N 120 101.400 101.400 105.996 -4.596 19872 960 1 2 . 1 1 120 120 GLY CA C 120 44.100 44.100 45.045 -0.945 19872 961 1 2 . 1 1 121 121 GLY N N 121 106.300 106.300 106.245 0.055 19872 962 1 2 . 1 1 121 121 GLY C C 121 173.100 173.100 175.057 -1.957 19872 963 1 2 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.202 -0.002 19872 964 1 2 . 1 1 122 122 CYS N N 122 119.400 119.400 120.350 -0.950 19872 965 1 2 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.061 -0.401 19872 966 1 2 . 1 1 122 122 CYS C C 122 174.800 174.800 176.079 -1.279 19872 967 1 2 . 1 1 122 122 CYS CA C 122 61.800 61.800 62.713 -0.913 19872 968 1 2 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.942 -0.342 19872 969 1 2 . 1 1 123 123 ASP N N 123 117.700 117.700 119.370 -1.670 19872 970 1 2 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.406 -0.166 19872 971 1 2 . 1 1 123 123 ASP C C 123 179.100 179.100 178.146 0.954 19872 972 1 2 . 1 1 123 123 ASP CA C 123 57.700 57.700 57.182 0.518 19872 973 1 2 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.800 -1.600 19872 974 1 2 . 1 1 124 124 ILE N N 124 120.700 120.700 120.110 0.590 19872 975 1 2 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.874 -0.154 19872 976 1 2 . 1 1 124 124 ILE C C 124 177.200 177.200 177.929 -0.729 19872 977 1 2 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.674 0.426 19872 978 1 2 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.301 -0.301 19872 979 1 2 . 1 1 125 125 LEU N N 125 122.000 122.000 122.055 -0.055 19872 980 1 2 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.922 -0.092 19872 981 1 2 . 1 1 125 125 LEU C C 125 178.800 178.800 178.619 0.181 19872 982 1 2 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.386 -0.986 19872 983 1 2 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.594 -0.794 19872 984 1 2 . 1 1 126 126 LEU N N 126 118.200 118.200 118.944 -0.744 19872 985 1 2 . 1 1 126 126 LEU HA H 126 3.960 3.960 3.923 0.037 19872 986 1 2 . 1 1 126 126 LEU C C 126 179.100 179.100 178.793 0.307 19872 987 1 2 . 1 1 126 126 LEU CA C 126 57.800 57.800 58.396 -0.596 19872 988 1 2 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.720 0.080 19872 989 1 2 . 1 1 127 127 GLN N N 127 119.900 119.900 117.707 2.193 19872 990 1 2 . 1 1 127 127 GLN HA H 127 3.970 3.970 3.952 0.018 19872 991 1 2 . 1 1 127 127 GLN C C 127 178.200 178.200 178.969 -0.769 19872 992 1 2 . 1 1 127 127 GLN CA C 127 59.000 59.000 58.561 0.439 19872 993 1 2 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.286 -0.386 19872 994 1 2 . 1 1 128 128 MET N N 128 117.500 117.500 117.315 0.185 19872 995 1 2 . 1 1 128 128 MET HA H 128 4.360 4.360 4.145 0.215 19872 996 1 2 . 1 1 128 128 MET C C 128 179.600 179.600 178.692 0.908 19872 997 1 2 . 1 1 128 128 MET CA C 128 57.800 57.800 58.683 -0.883 19872 998 1 2 . 1 1 128 128 MET CB C 128 33.500 33.500 32.445 1.055 19872 999 1 2 . 1 1 129 129 HIS N N 129 122.300 122.300 121.014 1.286 19872 1000 1 2 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.359 -0.009 19872 1001 1 2 . 1 1 129 129 HIS C C 129 177.000 177.000 177.646 -0.646 19872 1002 1 2 . 1 1 129 129 HIS CA C 129 59.200 59.200 59.852 -0.652 19872 1003 1 2 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.864 1.236 19872 1004 1 2 . 1 1 130 130 GLN N N 130 116.700 116.700 116.732 -0.032 19872 1005 1 2 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.062 -0.302 19872 1006 1 2 . 1 1 130 130 GLN C C 130 177.600 177.600 177.345 0.255 19872 1007 1 2 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.013 0.787 19872 1008 1 2 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.078 -0.778 19872 1009 1 2 . 1 1 131 131 ASN N N 131 114.200 114.200 117.792 -3.592 19872 1010 1 2 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.698 -0.078 19872 1011 1 2 . 1 1 131 131 ASN C C 131 176.600 176.600 175.972 0.628 19872 1012 1 2 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.120 -0.820 19872 1013 1 2 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.808 -1.808 19872 1014 1 2 . 1 1 132 132 GLY N N 132 106.600 106.600 106.576 0.024 19872 1015 1 2 . 1 1 132 132 GLY C C 132 175.300 175.300 175.214 0.086 19872 1016 1 2 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.047 0.153 19872 1017 1 2 . 1 1 133 133 ASP N N 133 122.900 122.900 122.213 0.687 19872 1018 1 2 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.551 -0.181 19872 1019 1 2 . 1 1 133 133 ASP C C 133 178.700 178.700 177.601 1.099 19872 1020 1 2 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.430 0.270 19872 1021 1 2 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.834 -0.834 19872 1022 1 2 . 1 1 134 134 LEU N N 134 118.900 118.900 118.929 -0.029 19872 1023 1 2 . 1 1 134 134 LEU HA H 134 3.780 3.780 3.996 -0.216 19872 1024 1 2 . 1 1 134 134 LEU C C 134 177.300 177.300 178.083 -0.783 19872 1025 1 2 . 1 1 134 134 LEU CA C 134 57.300 57.300 57.020 0.279 19872 1026 1 2 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.695 -1.695 19872 1027 1 2 . 1 1 135 135 VAL N N 135 116.600 116.600 118.730 -2.130 19872 1028 1 2 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.585 -0.185 19872 1029 1 2 . 1 1 135 135 VAL C C 135 178.300 178.300 177.781 0.519 19872 1030 1 2 . 1 1 135 135 VAL CA C 135 66.800 66.800 66.400 0.400 19872 1031 1 2 . 1 1 135 135 VAL CB C 135 31.200 31.200 31.453 -0.254 19872 1032 1 2 . 1 1 136 136 GLU N N 136 118.600 118.600 119.318 -0.718 19872 1033 1 2 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.030 -0.010 19872 1034 1 2 . 1 1 136 136 GLU C C 136 178.800 178.800 178.981 -0.181 19872 1035 1 2 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.199 -1.198 19872 1036 1 2 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.903 -0.403 19872 1037 1 2 . 1 1 137 137 GLU N N 137 119.500 119.500 120.369 -0.869 19872 1038 1 2 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.098 -0.208 19872 1039 1 2 . 1 1 137 137 GLU C C 137 179.500 179.500 179.086 0.414 19872 1040 1 2 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.568 -0.568 19872 1041 1 2 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.326 -0.726 19872 1042 1 2 . 1 1 138 138 LEU N N 138 117.400 117.400 119.674 -2.274 19872 1043 1 2 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.871 0.019 19872 1044 1 2 . 1 1 138 138 LEU C C 138 179.200 179.200 178.893 0.307 19872 1045 1 2 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.906 -0.406 19872 1046 1 2 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.743 -2.443 19872 1047 1 2 . 1 1 139 139 LYS N N 139 121.100 121.100 119.030 2.070 19872 1048 1 2 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.081 -0.231 19872 1049 1 2 . 1 1 139 139 LYS C C 139 180.900 180.900 179.623 1.277 19872 1050 1 2 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.465 0.135 19872 1051 1 2 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.089 -0.289 19872 1052 1 2 . 1 1 140 140 LYS N N 140 119.800 119.800 119.759 0.041 19872 1053 1 2 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.149 -0.209 19872 1054 1 2 . 1 1 140 140 LYS C C 140 177.600 177.600 177.463 0.137 19872 1055 1 2 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.705 -0.005 19872 1056 1 2 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.309 -0.409 19872 1057 1 2 . 1 1 141 141 LEU N N 141 116.600 116.600 115.092 1.508 19872 1058 1 2 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.553 -0.233 19872 1059 1 2 . 1 1 141 141 LEU C C 141 176.400 176.400 177.905 -1.505 19872 1060 1 2 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.272 -0.672 19872 1061 1 2 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.842 0.158 19872 1062 1 2 . 1 1 142 142 GLY N N 142 107.200 107.200 108.120 -0.920 19872 1063 1 2 . 1 1 142 142 GLY C C 142 173.900 173.900 174.759 -0.859 19872 1064 1 2 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.723 -0.723 19872 1065 1 2 . 1 1 143 143 ILE N N 143 121.600 121.600 121.126 0.474 19872 1066 1 2 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.052 -0.032 19872 1067 1 2 . 1 1 143 143 ILE C C 143 173.900 173.900 175.755 -1.855 19872 1068 1 2 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.370 -1.370 19872 1069 1 2 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.715 -0.015 19872 1070 1 2 . 1 1 144 144 HIS N N 144 128.000 128.000 126.425 1.575 19872 1071 1 2 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.649 -0.309 19872 1072 1 2 . 1 1 144 144 HIS C C 144 173.800 173.800 174.906 -1.106 19872 1073 1 2 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.903 -1.603 19872 1074 1 2 . 1 1 144 144 HIS CB C 144 28.600 28.600 30.429 -1.829 19872 1075 1 2 . 1 1 145 145 SER N N 145 121.400 121.400 123.450 -2.050 19872 1076 1 2 . 1 1 145 145 SER HA H 145 4.470 4.470 4.603 -0.133 19872 1077 1 2 . 1 1 145 145 SER CA C 145 57.800 57.800 57.900 -0.100 19872 1078 1 2 . 1 1 145 145 SER CB C 145 62.200 62.200 63.797 -1.597 19872 1079 1 2 . 1 1 146 146 ALA N N 146 130.100 130.100 131.354 -1.254 19872 1080 1 2 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.227 -0.047 19872 1081 1 2 . 1 1 146 146 ALA C C 146 178.100 178.100 179.216 -1.116 19872 1082 1 2 . 1 1 146 146 ALA CA C 146 52.900 52.900 54.441 -1.541 19872 1083 1 2 . 1 1 146 146 ALA CB C 146 17.700 17.700 18.903 -1.203 19872 1084 1 2 . 1 1 147 147 LEU N N 147 117.800 117.800 118.689 -0.889 19872 1085 1 2 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.071 -0.011 19872 1086 1 2 . 1 1 147 147 LEU C C 147 177.700 177.700 179.010 -1.310 19872 1087 1 2 . 1 1 147 147 LEU CA C 147 55.100 55.100 56.474 -1.374 19872 1088 1 2 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.135 -0.735 19872 1089 1 2 . 1 1 148 148 LEU N N 148 120.100 120.100 119.715 0.385 19872 1090 1 2 . 1 1 148 148 LEU HA H 148 4.180 4.180 4.036 0.144 19872 1091 1 2 . 1 1 148 148 LEU C C 148 176.500 176.500 177.737 -1.237 19872 1092 1 2 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.352 -2.652 19872 1093 1 2 . 1 1 148 148 LEU CB C 148 42.000 42.000 40.981 1.019 19872 1094 1 2 . 1 1 149 149 ASP N N 149 121.900 121.900 117.248 4.652 19872 1095 1 2 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.859 -0.259 19872 1096 1 2 . 1 1 149 149 ASP C C 149 174.800 174.800 175.389 -0.589 19872 1097 1 2 . 1 1 149 149 ASP CA C 149 53.900 53.900 53.919 -0.019 19872 1098 1 2 . 1 1 149 149 ASP CB C 149 40.600 40.600 42.278 -1.678 19872 1099 1 3 . 1 1 2 2 SER HA H 2 4.360 4.360 4.660 -0.300 19872 1100 1 3 . 1 1 2 2 SER C C 2 173.800 173.800 173.866 -0.066 19872 1101 1 3 . 1 1 2 2 SER CA C 2 58.000 58.000 57.730 0.270 19872 1102 1 3 . 1 1 2 2 SER CB C 2 63.100 63.100 64.080 -0.980 19872 1103 1 3 . 1 1 3 3 PHE N N 3 122.000 122.000 123.282 -1.282 19872 1104 1 3 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.609 0.001 19872 1105 1 3 . 1 1 3 3 PHE C C 3 175.300 175.300 175.029 0.271 19872 1106 1 3 . 1 1 3 3 PHE CA C 3 57.300 57.300 57.860 -0.560 19872 1107 1 3 . 1 1 3 3 PHE CB C 3 39.300 39.300 39.572 -0.272 19872 1108 1 3 . 1 1 4 4 THR N N 4 116.900 116.900 118.537 -1.637 19872 1109 1 3 . 1 1 4 4 THR HA H 4 4.180 4.180 4.364 -0.184 19872 1110 1 3 . 1 1 4 4 THR C C 4 173.800 173.800 173.479 0.321 19872 1111 1 3 . 1 1 4 4 THR CA C 4 61.000 61.000 59.924 1.076 19872 1112 1 3 . 1 1 4 4 THR CB C 4 69.300 69.300 70.748 -1.448 19872 1113 1 3 . 1 1 36 36 ALA N N 36 123.600 123.600 122.713 0.887 19872 1114 1 3 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.528 -0.298 19872 1115 1 3 . 1 1 36 36 ALA C C 36 178.100 178.100 178.281 -0.181 19872 1116 1 3 . 1 1 36 36 ALA CA C 36 52.000 52.000 52.022 -0.021 19872 1117 1 3 . 1 1 36 36 ALA CB C 36 18.700 18.700 19.911 -1.211 19872 1118 1 3 . 1 1 37 37 GLY N N 37 108.200 108.200 108.354 -0.154 19872 1119 1 3 . 1 1 37 37 GLY C C 37 174.500 174.500 174.568 -0.068 19872 1120 1 3 . 1 1 37 37 GLY CA C 37 44.800 44.800 44.639 0.161 19872 1121 1 3 . 1 1 38 38 GLY N N 38 108.200 108.200 107.390 0.810 19872 1122 1 3 . 1 1 38 38 GLY C C 38 174.500 174.500 175.454 -0.954 19872 1123 1 3 . 1 1 38 38 GLY CA C 38 44.700 44.700 44.835 -0.135 19872 1124 1 3 . 1 1 39 39 GLY N N 39 108.600 108.600 112.116 -3.516 19872 1125 1 3 . 1 1 39 39 GLY C C 39 174.100 174.100 174.271 -0.171 19872 1126 1 3 . 1 1 39 39 GLY CA C 39 44.800 44.800 44.537 0.263 19872 1127 1 3 . 1 1 40 40 GLY N N 40 107.700 107.700 108.842 -1.142 19872 1128 1 3 . 1 1 40 40 GLY C C 40 174.100 174.100 173.796 0.304 19872 1129 1 3 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.326 0.374 19872 1130 1 3 . 1 1 41 41 SER N N 41 115.700 115.700 112.961 2.739 19872 1131 1 3 . 1 1 41 41 SER HA H 41 4.220 4.220 4.216 0.004 19872 1132 1 3 . 1 1 41 41 SER C C 41 174.800 174.800 175.326 -0.526 19872 1133 1 3 . 1 1 41 41 SER CA C 41 58.400 58.400 57.892 0.508 19872 1134 1 3 . 1 1 41 41 SER CB C 41 63.100 63.100 63.390 -0.290 19872 1135 1 3 . 1 1 42 42 ALA N N 42 124.700 124.700 123.384 1.316 19872 1136 1 3 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.116 -0.166 19872 1137 1 3 . 1 1 42 42 ALA C C 42 178.800 178.800 178.860 -0.060 19872 1138 1 3 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.173 -0.473 19872 1139 1 3 . 1 1 42 42 ALA CB C 42 17.700 17.700 19.010 -1.310 19872 1140 1 3 . 1 1 43 43 GLU N N 43 116.700 116.700 116.508 0.192 19872 1141 1 3 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.029 -0.079 19872 1142 1 3 . 1 1 43 43 GLU C C 43 178.800 178.800 177.676 1.124 19872 1143 1 3 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.404 0.096 19872 1144 1 3 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.835 -0.235 19872 1145 1 3 . 1 1 44 44 GLN N N 44 119.400 119.400 118.713 0.687 19872 1146 1 3 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.192 -0.222 19872 1147 1 3 . 1 1 44 44 GLN C C 44 178.200 178.200 177.649 0.551 19872 1148 1 3 . 1 1 44 44 GLN CA C 44 57.600 57.600 57.773 -0.173 19872 1149 1 3 . 1 1 44 44 GLN CB C 44 28.100 28.100 29.463 -1.363 19872 1150 1 3 . 1 1 45 45 LEU N N 45 121.700 121.700 121.127 0.573 19872 1151 1 3 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.561 0.009 19872 1152 1 3 . 1 1 45 45 LEU C C 45 177.300 177.300 178.732 -1.432 19872 1153 1 3 . 1 1 45 45 LEU CA C 45 56.500 56.500 57.835 -1.335 19872 1154 1 3 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.066 -0.566 19872 1155 1 3 . 1 1 46 46 ASP N N 46 118.000 118.000 118.519 -0.519 19872 1156 1 3 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.346 -0.316 19872 1157 1 3 . 1 1 46 46 ASP C C 46 176.800 176.800 177.731 -0.931 19872 1158 1 3 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.227 -0.627 19872 1159 1 3 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.884 0.716 19872 1160 1 3 . 1 1 47 47 ALA N N 47 116.100 116.100 121.831 -5.731 19872 1161 1 3 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.204 -0.314 19872 1162 1 3 . 1 1 47 47 ALA C C 47 180.300 180.300 179.091 1.209 19872 1163 1 3 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.441 -0.441 19872 1164 1 3 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.500 -1.100 19872 1165 1 3 . 1 1 48 48 LEU N N 48 117.800 117.800 118.474 -0.674 19872 1166 1 3 . 1 1 48 48 LEU HA H 48 3.840 3.840 4.071 -0.231 19872 1167 1 3 . 1 1 48 48 LEU C C 48 180.100 180.100 179.456 0.644 19872 1168 1 3 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.705 -0.305 19872 1169 1 3 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.307 -0.407 19872 1170 1 3 . 1 1 49 49 VAL N N 49 112.100 112.100 113.618 -1.518 19872 1171 1 3 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.818 0.062 19872 1172 1 3 . 1 1 49 49 VAL C C 49 176.000 176.000 177.628 -1.628 19872 1173 1 3 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.813 -1.613 19872 1174 1 3 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.235 -0.235 19872 1175 1 3 . 1 1 50 50 LYS N N 50 115.400 115.400 118.731 -3.331 19872 1176 1 3 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.328 -0.168 19872 1177 1 3 . 1 1 50 50 LYS C C 50 177.900 177.900 177.651 0.249 19872 1178 1 3 . 1 1 50 50 LYS CA C 50 56.200 56.200 56.011 0.189 19872 1179 1 3 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.115 1.285 19872 1180 1 3 . 1 1 51 51 LYS N N 51 119.000 119.000 119.051 -0.051 19872 1181 1 3 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.146 -0.226 19872 1182 1 3 . 1 1 51 51 LYS C C 51 174.700 174.700 176.502 -1.802 19872 1183 1 3 . 1 1 51 51 LYS CA C 51 58.000 58.000 58.388 -0.388 19872 1184 1 3 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.920 -0.621 19872 1185 1 3 . 1 1 52 52 ASP N N 52 113.400 113.400 116.985 -3.585 19872 1186 1 3 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.880 0.110 19872 1187 1 3 . 1 1 52 52 ASP C C 52 174.400 174.400 174.816 -0.416 19872 1188 1 3 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.444 -0.644 19872 1189 1 3 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.558 2.042 19872 1190 1 3 . 1 1 53 53 LYS N N 53 119.500 119.500 119.011 0.489 19872 1191 1 3 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.273 -0.263 19872 1192 1 3 . 1 1 53 53 LYS C C 53 176.100 176.100 176.782 -0.682 19872 1193 1 3 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.522 2.278 19872 1194 1 3 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.729 -0.129 19872 1195 1 3 . 1 1 54 54 VAL N N 54 117.700 117.700 117.180 0.520 19872 1196 1 3 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.987 -0.367 19872 1197 1 3 . 1 1 54 54 VAL C C 54 173.700 173.700 174.431 -0.731 19872 1198 1 3 . 1 1 54 54 VAL CA C 54 60.900 60.900 60.644 0.256 19872 1199 1 3 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.905 -1.605 19872 1200 1 3 . 1 1 55 55 VAL N N 55 127.100 127.100 123.988 3.112 19872 1201 1 3 . 1 1 55 55 VAL HA H 55 4.950 4.950 5.129 -0.179 19872 1202 1 3 . 1 1 55 55 VAL C C 55 174.400 174.400 174.397 0.003 19872 1203 1 3 . 1 1 55 55 VAL CA C 55 60.600 60.600 59.794 0.806 19872 1204 1 3 . 1 1 55 55 VAL CB C 55 35.200 35.200 33.862 1.338 19872 1205 1 3 . 1 1 56 56 VAL N N 56 119.700 119.700 126.797 -7.097 19872 1206 1 3 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.106 0.334 19872 1207 1 3 . 1 1 56 56 VAL C C 56 173.400 173.400 174.406 -1.006 19872 1208 1 3 . 1 1 56 56 VAL CA C 56 58.000 58.000 60.928 -2.929 19872 1209 1 3 . 1 1 56 56 VAL CB C 56 34.800 34.800 35.344 -0.544 19872 1210 1 3 . 1 1 57 57 PHE N N 57 122.400 122.400 123.483 -1.083 19872 1211 1 3 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.126 0.084 19872 1212 1 3 . 1 1 57 57 PHE C C 57 174.800 174.800 174.031 0.769 19872 1213 1 3 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.440 -1.040 19872 1214 1 3 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.737 -1.037 19872 1215 1 3 . 1 1 58 58 LEU N N 58 120.500 120.500 120.773 -0.273 19872 1216 1 3 . 1 1 58 58 LEU HA H 58 4.700 4.700 4.970 -0.270 19872 1217 1 3 . 1 1 58 58 LEU C C 58 175.500 175.500 175.405 0.095 19872 1218 1 3 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.852 -0.852 19872 1219 1 3 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.346 -0.246 19872 1220 1 3 . 1 1 59 59 LYS N N 59 117.800 117.800 120.269 -2.469 19872 1221 1 3 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.370 -0.020 19872 1222 1 3 . 1 1 59 59 LYS C C 59 175.200 175.200 176.128 -0.928 19872 1223 1 3 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.123 -0.023 19872 1224 1 3 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.616 0.684 19872 1225 1 3 . 1 1 60 60 GLY N N 60 114.800 114.800 109.717 5.083 19872 1226 1 3 . 1 1 60 60 GLY C C 60 170.300 170.300 172.252 -1.952 19872 1227 1 3 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.701 -1.801 19872 1228 1 3 . 1 1 61 61 THR N N 61 107.800 107.800 109.881 -2.081 19872 1229 1 3 . 1 1 61 61 THR HA H 61 4.740 4.740 5.009 -0.269 19872 1230 1 3 . 1 1 61 61 THR C C 61 173.100 173.100 173.033 0.067 19872 1231 1 3 . 1 1 61 61 THR CA C 61 57.400 57.400 58.311 -0.911 19872 1232 1 3 . 1 1 61 61 THR CB C 61 68.800 68.800 70.901 -2.101 19872 1233 1 3 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.333 -0.363 19872 1234 1 3 . 1 1 62 62 PRO C C 62 177.200 177.200 177.456 -0.256 19872 1235 1 3 . 1 1 62 62 PRO CA C 62 64.900 64.900 65.240 -0.340 19872 1236 1 3 . 1 1 62 62 PRO CB C 62 31.100 31.100 31.929 -0.829 19872 1237 1 3 . 1 1 63 63 GLU N N 63 111.900 111.900 115.132 -3.232 19872 1238 1 3 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.244 -0.304 19872 1239 1 3 . 1 1 63 63 GLU C C 63 176.500 176.500 176.272 0.228 19872 1240 1 3 . 1 1 63 63 GLU CA C 63 58.100 58.100 57.179 0.921 19872 1241 1 3 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.230 -0.030 19872 1242 1 3 . 1 1 64 64 GLN N N 64 117.700 117.700 119.877 -2.177 19872 1243 1 3 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.801 -0.321 19872 1244 1 3 . 1 1 64 64 GLN C C 64 171.500 171.500 173.225 -1.725 19872 1245 1 3 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.650 -0.249 19872 1246 1 3 . 1 1 64 64 GLN CB C 64 29.100 29.100 29.953 -0.853 19872 1247 1 3 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.373 0.177 19872 1248 1 3 . 1 1 65 65 PRO C C 65 177.900 177.900 176.738 1.162 19872 1249 1 3 . 1 1 65 65 PRO CA C 65 63.000 63.000 63.232 -0.232 19872 1250 1 3 . 1 1 65 65 PRO CB C 65 31.700 31.700 32.288 -0.588 19872 1251 1 3 . 1 1 66 66 GLN N N 66 119.700 119.700 122.212 -2.512 19872 1252 1 3 . 1 1 66 66 GLN HA H 66 4.500 4.500 4.128 0.372 19872 1253 1 3 . 1 1 66 66 GLN C C 66 174.400 174.400 175.604 -1.204 19872 1254 1 3 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.220 -2.620 19872 1255 1 3 . 1 1 66 66 GLN CB C 66 29.100 29.100 29.047 0.054 19872 1256 1 3 . 1 1 67 67 CYS N N 67 116.700 116.700 117.146 -0.446 19872 1257 1 3 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.552 0.148 19872 1258 1 3 . 1 1 67 67 CYS C C 67 176.500 176.500 173.861 2.639 19872 1259 1 3 . 1 1 67 67 CYS CA C 67 58.700 58.700 58.172 0.528 19872 1260 1 3 . 1 1 67 67 CYS CB C 67 32.800 32.800 29.129 3.671 19872 1261 1 3 . 1 1 68 68 GLY C C 68 176.500 176.500 174.719 1.781 19872 1262 1 3 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.263 0.637 19872 1263 1 3 . 1 1 69 69 PHE N N 69 125.800 125.800 115.684 10.116 19872 1264 1 3 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.024 0.686 19872 1265 1 3 . 1 1 69 69 PHE C C 69 178.300 178.300 175.283 3.017 19872 1266 1 3 . 1 1 69 69 PHE CA C 69 59.900 59.900 58.585 1.315 19872 1267 1 3 . 1 1 69 69 PHE CB C 69 37.900 37.900 36.606 1.294 19872 1268 1 3 . 1 1 70 70 SER N N 70 124.200 124.200 116.130 8.070 19872 1269 1 3 . 1 1 70 70 SER HA H 70 3.980 3.980 4.140 -0.160 19872 1270 1 3 . 1 1 70 70 SER CA C 70 63.800 63.800 61.120 2.680 19872 1271 1 3 . 1 1 70 70 SER CB C 70 62.000 62.000 63.122 -1.122 19872 1272 1 3 . 1 1 71 71 ASN N N 71 118.500 118.500 119.401 -0.901 19872 1273 1 3 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.536 -0.386 19872 1274 1 3 . 1 1 71 71 ASN C C 71 175.800 175.800 176.780 -0.980 19872 1275 1 3 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.120 1.280 19872 1276 1 3 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.214 0.586 19872 1277 1 3 . 1 1 72 72 ALA N N 72 119.900 119.900 122.379 -2.479 19872 1278 1 3 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.116 -0.136 19872 1279 1 3 . 1 1 72 72 ALA C C 72 179.700 179.700 179.560 0.140 19872 1280 1 3 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.956 -0.156 19872 1281 1 3 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.107 -0.406 19872 1282 1 3 . 1 1 73 73 VAL N N 73 115.700 115.700 115.108 0.592 19872 1283 1 3 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.751 -0.411 19872 1284 1 3 . 1 1 73 73 VAL C C 73 176.300 176.300 177.642 -1.342 19872 1285 1 3 . 1 1 73 73 VAL CA C 73 66.200 66.200 66.009 0.191 19872 1286 1 3 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.282 -0.182 19872 1287 1 3 . 1 1 74 74 VAL N N 74 118.100 118.100 120.584 -2.484 19872 1288 1 3 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.703 -0.373 19872 1289 1 3 . 1 1 74 74 VAL C C 74 178.800 178.800 178.211 0.589 19872 1290 1 3 . 1 1 74 74 VAL CA C 74 66.100 66.100 66.057 0.043 19872 1291 1 3 . 1 1 74 74 VAL CB C 74 31.100 31.100 30.918 0.183 19872 1292 1 3 . 1 1 75 75 GLN N N 75 119.000 119.000 120.038 -1.038 19872 1293 1 3 . 1 1 75 75 GLN HA H 75 3.910 3.910 3.998 -0.088 19872 1294 1 3 . 1 1 75 75 GLN C C 75 178.500 178.500 178.829 -0.329 19872 1295 1 3 . 1 1 75 75 GLN CA C 75 57.900 57.900 59.281 -1.381 19872 1296 1 3 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.407 -1.307 19872 1297 1 3 . 1 1 76 76 ILE N N 76 120.600 120.600 120.403 0.197 19872 1298 1 3 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.402 -0.082 19872 1299 1 3 . 1 1 76 76 ILE C C 76 177.600 177.600 178.474 -0.874 19872 1300 1 3 . 1 1 76 76 ILE CA C 76 64.700 64.700 65.374 -0.674 19872 1301 1 3 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.646 -0.746 19872 1302 1 3 . 1 1 77 77 LEU N N 77 117.800 117.800 119.748 -1.948 19872 1303 1 3 . 1 1 77 77 LEU HA H 77 3.730 3.730 4.001 -0.271 19872 1304 1 3 . 1 1 77 77 LEU C C 77 178.400 178.400 179.186 -0.786 19872 1305 1 3 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.517 -0.417 19872 1306 1 3 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.608 -2.208 19872 1307 1 3 . 1 1 78 78 ARG N N 78 118.800 118.800 119.706 -0.906 19872 1308 1 3 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.272 -0.192 19872 1309 1 3 . 1 1 78 78 ARG C C 78 180.800 180.800 179.406 1.394 19872 1310 1 3 . 1 1 78 78 ARG CA C 78 58.900 58.900 58.988 -0.088 19872 1311 1 3 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.790 -0.490 19872 1312 1 3 . 1 1 79 79 LEU N N 79 123.200 123.200 120.922 2.278 19872 1313 1 3 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.093 -0.203 19872 1314 1 3 . 1 1 79 79 LEU C C 79 178.200 178.200 178.380 -0.180 19872 1315 1 3 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.657 -0.157 19872 1316 1 3 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.911 -0.411 19872 1317 1 3 . 1 1 80 80 HIS N N 80 112.200 112.200 114.813 -2.613 19872 1318 1 3 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.616 -0.516 19872 1319 1 3 . 1 1 80 80 HIS C C 80 176.000 176.000 176.499 -0.499 19872 1320 1 3 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.280 0.720 19872 1321 1 3 . 1 1 80 80 HIS CB C 80 31.700 31.700 29.947 1.753 19872 1322 1 3 . 1 1 81 81 GLY N N 81 111.700 111.700 108.480 3.220 19872 1323 1 3 . 1 1 81 81 GLY C C 81 174.000 174.000 173.831 0.169 19872 1324 1 3 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.482 0.118 19872 1325 1 3 . 1 1 82 82 VAL N N 82 120.400 120.400 120.173 0.227 19872 1326 1 3 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.463 -0.653 19872 1327 1 3 . 1 1 82 82 VAL C C 82 174.800 174.800 175.180 -0.380 19872 1328 1 3 . 1 1 82 82 VAL CA C 82 62.200 62.200 61.292 0.908 19872 1329 1 3 . 1 1 82 82 VAL CB C 82 29.700 29.700 33.905 -4.205 19872 1330 1 3 . 1 1 83 83 ARG N N 83 126.600 126.600 123.771 2.829 19872 1331 1 3 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.417 -0.057 19872 1332 1 3 . 1 1 83 83 ARG C C 83 176.000 176.000 175.555 0.445 19872 1333 1 3 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.234 0.366 19872 1334 1 3 . 1 1 83 83 ARG CB C 83 31.100 31.100 30.814 0.286 19872 1335 1 3 . 1 1 84 84 ASP N N 84 118.400 118.400 119.484 -1.084 19872 1336 1 3 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.513 0.037 19872 1337 1 3 . 1 1 84 84 ASP C C 84 174.200 174.200 175.848 -1.648 19872 1338 1 3 . 1 1 84 84 ASP CA C 84 53.000 53.000 54.094 -1.094 19872 1339 1 3 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.373 -0.374 19872 1340 1 3 . 1 1 85 85 TYR N N 85 116.200 116.200 116.650 -0.450 19872 1341 1 3 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.873 -0.123 19872 1342 1 3 . 1 1 85 85 TYR C C 85 173.100 173.100 175.678 -2.578 19872 1343 1 3 . 1 1 85 85 TYR CA C 85 55.000 55.000 55.844 -0.844 19872 1344 1 3 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.695 0.505 19872 1345 1 3 . 1 1 86 86 ALA N N 86 125.000 125.000 123.125 1.875 19872 1346 1 3 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.558 -0.338 19872 1347 1 3 . 1 1 86 86 ALA C C 86 174.300 174.300 175.740 -1.440 19872 1348 1 3 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.584 0.216 19872 1349 1 3 . 1 1 86 86 ALA CB C 86 20.400 20.400 19.612 0.788 19872 1350 1 3 . 1 1 87 87 ALA N N 87 124.400 124.400 129.609 -5.209 19872 1351 1 3 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.447 0.723 19872 1352 1 3 . 1 1 87 87 ALA C C 87 175.400 175.400 176.223 -0.823 19872 1353 1 3 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.672 -1.772 19872 1354 1 3 . 1 1 87 87 ALA CB C 87 21.400 21.400 18.528 2.872 19872 1355 1 3 . 1 1 88 88 TYR N N 88 121.100 121.100 123.921 -2.821 19872 1356 1 3 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.036 0.454 19872 1357 1 3 . 1 1 88 88 TYR C C 88 174.100 174.100 174.876 -0.776 19872 1358 1 3 . 1 1 88 88 TYR CA C 88 56.900 56.900 58.552 -1.652 19872 1359 1 3 . 1 1 88 88 TYR CB C 88 40.200 40.200 38.039 2.161 19872 1360 1 3 . 1 1 89 89 ASN N N 89 122.300 122.300 124.116 -1.816 19872 1361 1 3 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.206 -0.016 19872 1362 1 3 . 1 1 89 89 ASN C C 89 178.000 178.000 176.334 1.666 19872 1363 1 3 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.392 -1.591 19872 1364 1 3 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.697 -0.697 19872 1365 1 3 . 1 1 90 90 VAL N N 90 117.900 117.900 120.201 -2.301 19872 1366 1 3 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.191 -0.011 19872 1367 1 3 . 1 1 90 90 VAL C C 90 176.700 176.700 175.494 1.206 19872 1368 1 3 . 1 1 90 90 VAL CA C 90 62.200 62.200 63.334 -1.134 19872 1369 1 3 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.594 -1.094 19872 1370 1 3 . 1 1 91 91 LEU N N 91 118.900 118.900 119.745 -0.845 19872 1371 1 3 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.181 -0.120 19872 1372 1 3 . 1 1 91 91 LEU C C 91 177.500 177.500 178.330 -0.830 19872 1373 1 3 . 1 1 91 91 LEU CA C 91 56.000 56.000 56.775 -0.775 19872 1374 1 3 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.753 -1.353 19872 1375 1 3 . 1 1 92 92 ASP N N 92 115.500 115.500 119.347 -3.847 19872 1376 1 3 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.536 0.134 19872 1377 1 3 . 1 1 92 92 ASP C C 92 175.500 175.500 176.075 -0.575 19872 1378 1 3 . 1 1 92 92 ASP CA C 92 54.100 54.100 56.027 -1.927 19872 1379 1 3 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.571 -0.571 19872 1380 1 3 . 1 1 93 93 ASP N N 93 115.000 115.000 117.850 -2.850 19872 1381 1 3 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.138 -0.107 19872 1382 1 3 . 1 1 93 93 ASP C C 93 172.800 172.800 174.858 -2.058 19872 1383 1 3 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.619 -1.119 19872 1384 1 3 . 1 1 93 93 ASP CB C 93 41.900 41.900 43.255 -1.355 19872 1385 1 3 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.478 -0.208 19872 1386 1 3 . 1 1 94 94 PRO C C 94 179.300 179.300 178.270 1.030 19872 1387 1 3 . 1 1 94 94 PRO CA C 94 64.100 64.100 64.841 -0.741 19872 1388 1 3 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.429 -0.629 19872 1389 1 3 . 1 1 95 95 GLU N N 95 118.600 118.600 119.509 -0.909 19872 1390 1 3 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.130 -0.090 19872 1391 1 3 . 1 1 95 95 GLU C C 95 179.500 179.500 179.012 0.488 19872 1392 1 3 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.907 -1.307 19872 1393 1 3 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.869 -0.268 19872 1394 1 3 . 1 1 96 96 LEU N N 96 123.800 123.800 120.547 3.253 19872 1395 1 3 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.006 -0.116 19872 1396 1 3 . 1 1 96 96 LEU C C 96 177.200 177.200 178.614 -1.414 19872 1397 1 3 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.477 -0.377 19872 1398 1 3 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.976 -0.676 19872 1399 1 3 . 1 1 97 97 ARG N N 97 117.900 117.900 119.274 -1.374 19872 1400 1 3 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.853 -0.313 19872 1401 1 3 . 1 1 97 97 ARG C C 97 176.400 176.400 178.205 -1.805 19872 1402 1 3 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.097 -0.197 19872 1403 1 3 . 1 1 97 97 ARG CB C 97 30.400 30.400 29.959 0.441 19872 1404 1 3 . 1 1 98 98 GLN N N 98 114.400 114.400 118.177 -3.777 19872 1405 1 3 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.092 -0.272 19872 1406 1 3 . 1 1 98 98 GLN C C 98 177.500 177.500 178.523 -1.023 19872 1407 1 3 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.726 -1.826 19872 1408 1 3 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.526 -0.526 19872 1409 1 3 . 1 1 99 99 GLY N N 99 107.700 107.700 108.345 -0.645 19872 1410 1 3 . 1 1 99 99 GLY C C 99 176.700 176.700 176.109 0.591 19872 1411 1 3 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.283 -0.783 19872 1412 1 3 . 1 1 100 100 ILE N N 100 120.900 120.900 122.393 -1.493 19872 1413 1 3 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.970 0.010 19872 1414 1 3 . 1 1 100 100 ILE C C 100 176.800 176.800 177.437 -0.637 19872 1415 1 3 . 1 1 100 100 ILE CA C 100 60.500 60.500 61.088 -0.588 19872 1416 1 3 . 1 1 100 100 ILE CB C 100 37.500 37.500 38.094 -0.595 19872 1417 1 3 . 1 1 101 101 LYS N N 101 124.600 124.600 121.152 3.448 19872 1418 1 3 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.298 -0.218 19872 1419 1 3 . 1 1 101 101 LYS C C 101 178.900 178.900 178.649 0.251 19872 1420 1 3 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.727 -1.027 19872 1421 1 3 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.091 -0.291 19872 1422 1 3 . 1 1 102 102 ASP N N 102 118.700 118.700 118.710 -0.010 19872 1423 1 3 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.512 -0.262 19872 1424 1 3 . 1 1 102 102 ASP C C 102 177.700 177.700 179.010 -1.310 19872 1425 1 3 . 1 1 102 102 ASP CA C 102 56.200 56.200 57.108 -0.907 19872 1426 1 3 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.376 -1.676 19872 1427 1 3 . 1 1 103 103 TYR N N 103 120.300 120.300 120.666 -0.366 19872 1428 1 3 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.348 -0.288 19872 1429 1 3 . 1 1 103 103 TYR C C 103 176.600 176.600 177.182 -0.582 19872 1430 1 3 . 1 1 103 103 TYR CA C 103 60.500 60.500 61.111 -0.611 19872 1431 1 3 . 1 1 103 103 TYR CB C 103 39.900 39.900 39.152 0.748 19872 1432 1 3 . 1 1 104 104 SER N N 104 110.900 110.900 112.449 -1.549 19872 1433 1 3 . 1 1 104 104 SER HA H 104 3.900 3.900 4.654 -0.754 19872 1434 1 3 . 1 1 104 104 SER C C 104 174.600 174.600 173.640 0.960 19872 1435 1 3 . 1 1 104 104 SER CA C 104 57.700 57.700 58.170 -0.470 19872 1436 1 3 . 1 1 104 104 SER CB C 104 63.900 63.900 64.132 -0.232 19872 1437 1 3 . 1 1 105 105 ASN N N 105 117.900 117.900 116.439 1.461 19872 1438 1 3 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.630 -0.430 19872 1439 1 3 . 1 1 105 105 ASN C C 105 173.200 173.200 174.376 -1.176 19872 1440 1 3 . 1 1 105 105 ASN CA C 105 53.800 53.800 55.031 -1.231 19872 1441 1 3 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.434 -1.234 19872 1442 1 3 . 1 1 106 106 TRP N N 106 120.600 120.600 118.272 2.328 19872 1443 1 3 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.083 -0.003 19872 1444 1 3 . 1 1 106 106 TRP C C 106 175.400 175.400 175.008 0.392 19872 1445 1 3 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.217 -1.717 19872 1446 1 3 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.392 -0.393 19872 1447 1 3 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.378 -0.208 19872 1448 1 3 . 1 1 107 107 PRO C C 107 175.900 175.900 176.324 -0.424 19872 1449 1 3 . 1 1 107 107 PRO CA C 107 63.700 63.700 64.450 -0.750 19872 1450 1 3 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.151 -0.551 19872 1451 1 3 . 1 1 108 108 THR N N 108 110.500 110.500 113.068 -2.568 19872 1452 1 3 . 1 1 108 108 THR HA H 108 4.300 4.300 4.588 -0.288 19872 1453 1 3 . 1 1 108 108 THR C C 108 171.400 171.400 172.851 -1.451 19872 1454 1 3 . 1 1 108 108 THR CA C 108 60.400 60.400 62.053 -1.653 19872 1455 1 3 . 1 1 108 108 THR CB C 108 70.400 70.400 70.634 -0.234 19872 1456 1 3 . 1 1 109 109 ILE N N 109 123.100 123.100 125.528 -2.428 19872 1457 1 3 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.885 -0.625 19872 1458 1 3 . 1 1 109 109 ILE C C 109 175.000 175.000 173.334 1.666 19872 1459 1 3 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.267 -1.367 19872 1460 1 3 . 1 1 109 109 ILE CB C 109 40.100 40.100 40.295 -0.195 19872 1461 1 3 . 1 1 110 110 PRO HA H 110 5.340 5.340 4.991 0.349 19872 1462 1 3 . 1 1 110 110 PRO C C 110 175.600 175.600 175.961 -0.361 19872 1463 1 3 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.540 -1.040 19872 1464 1 3 . 1 1 110 110 PRO CB C 110 37.500 37.500 32.652 4.848 19872 1465 1 3 . 1 1 111 111 GLN N N 111 114.700 114.700 121.221 -6.521 19872 1466 1 3 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.563 -0.633 19872 1467 1 3 . 1 1 111 111 GLN C C 111 174.100 174.100 174.864 -0.764 19872 1468 1 3 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.483 0.917 19872 1469 1 3 . 1 1 111 111 GLN CB C 111 33.900 33.900 33.669 0.231 19872 1470 1 3 . 1 1 112 112 VAL N N 112 121.000 121.000 119.393 1.607 19872 1471 1 3 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.213 -0.433 19872 1472 1 3 . 1 1 112 112 VAL C C 112 172.300 172.300 173.650 -1.350 19872 1473 1 3 . 1 1 112 112 VAL CA C 112 61.200 61.200 60.380 0.820 19872 1474 1 3 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.264 -1.764 19872 1475 1 3 . 1 1 113 113 TYR N N 113 128.400 128.400 126.046 2.354 19872 1476 1 3 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.226 -0.256 19872 1477 1 3 . 1 1 113 113 TYR C C 113 173.800 173.800 174.741 -0.941 19872 1478 1 3 . 1 1 113 113 TYR CA C 113 56.700 56.700 57.187 -0.487 19872 1479 1 3 . 1 1 113 113 TYR CB C 113 41.000 41.000 40.398 0.602 19872 1480 1 3 . 1 1 114 114 LEU N N 114 117.900 117.900 123.579 -5.679 19872 1481 1 3 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.266 0.064 19872 1482 1 3 . 1 1 114 114 LEU C C 114 178.300 178.300 177.505 0.795 19872 1483 1 3 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.665 -1.565 19872 1484 1 3 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.975 -0.675 19872 1485 1 3 . 1 1 115 115 ASN N N 115 125.000 125.000 123.002 1.998 19872 1486 1 3 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.418 0.082 19872 1487 1 3 . 1 1 115 115 ASN C C 115 175.500 175.500 175.415 0.085 19872 1488 1 3 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.284 -1.584 19872 1489 1 3 . 1 1 115 115 ASN CB C 115 38.700 38.700 38.141 0.559 19872 1490 1 3 . 1 1 116 116 GLY N N 116 105.000 105.000 102.355 2.645 19872 1491 1 3 . 1 1 116 116 GLY C C 116 172.900 172.900 173.834 -0.934 19872 1492 1 3 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.548 -0.448 19872 1493 1 3 . 1 1 117 117 GLU N N 117 118.900 118.900 120.830 -1.930 19872 1494 1 3 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.803 -0.053 19872 1495 1 3 . 1 1 117 117 GLU C C 117 174.700 174.700 175.116 -0.416 19872 1496 1 3 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.394 -0.394 19872 1497 1 3 . 1 1 117 117 GLU CB C 117 31.600 31.600 32.263 -0.663 19872 1498 1 3 . 1 1 118 118 PHE N N 118 124.400 124.400 125.338 -0.938 19872 1499 1 3 . 1 1 118 118 PHE HA H 118 3.190 3.190 3.784 -0.594 19872 1500 1 3 . 1 1 118 118 PHE C C 118 175.500 175.500 174.878 0.622 19872 1501 1 3 . 1 1 118 118 PHE CA C 118 57.500 57.500 56.781 0.719 19872 1502 1 3 . 1 1 118 118 PHE CB C 118 38.100 38.100 38.858 -0.758 19872 1503 1 3 . 1 1 119 119 VAL N N 119 126.900 126.900 125.397 1.503 19872 1504 1 3 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.236 -0.526 19872 1505 1 3 . 1 1 119 119 VAL C C 119 174.200 174.200 174.555 -0.355 19872 1506 1 3 . 1 1 119 119 VAL CA C 119 61.900 61.900 61.996 -0.096 19872 1507 1 3 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.162 -1.762 19872 1508 1 3 . 1 1 120 120 GLY N N 120 101.400 101.400 105.895 -4.495 19872 1509 1 3 . 1 1 120 120 GLY CA C 120 44.100 44.100 45.345 -1.245 19872 1510 1 3 . 1 1 121 121 GLY N N 121 106.300 106.300 105.650 0.650 19872 1511 1 3 . 1 1 121 121 GLY C C 121 173.100 173.100 174.713 -1.613 19872 1512 1 3 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.278 -0.077 19872 1513 1 3 . 1 1 122 122 CYS N N 122 119.400 119.400 119.120 0.280 19872 1514 1 3 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.196 -0.536 19872 1515 1 3 . 1 1 122 122 CYS C C 122 174.800 174.800 175.954 -1.154 19872 1516 1 3 . 1 1 122 122 CYS CA C 122 61.800 61.800 60.922 0.878 19872 1517 1 3 . 1 1 122 122 CYS CB C 122 26.600 26.600 27.131 -0.531 19872 1518 1 3 . 1 1 123 123 ASP N N 123 117.700 117.700 120.009 -2.309 19872 1519 1 3 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.388 -0.148 19872 1520 1 3 . 1 1 123 123 ASP C C 123 179.100 179.100 177.860 1.240 19872 1521 1 3 . 1 1 123 123 ASP CA C 123 57.700 57.700 57.320 0.380 19872 1522 1 3 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.450 -1.250 19872 1523 1 3 . 1 1 124 124 ILE N N 124 120.700 120.700 120.435 0.265 19872 1524 1 3 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.800 -0.080 19872 1525 1 3 . 1 1 124 124 ILE C C 124 177.200 177.200 178.104 -0.904 19872 1526 1 3 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.468 0.632 19872 1527 1 3 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.318 -0.318 19872 1528 1 3 . 1 1 125 125 LEU N N 125 122.000 122.000 121.264 0.736 19872 1529 1 3 . 1 1 125 125 LEU HA H 125 3.830 3.830 4.043 -0.213 19872 1530 1 3 . 1 1 125 125 LEU C C 125 178.800 178.800 178.433 0.367 19872 1531 1 3 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.473 -1.073 19872 1532 1 3 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.679 -0.879 19872 1533 1 3 . 1 1 126 126 LEU N N 126 118.200 118.200 116.299 1.901 19872 1534 1 3 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.148 -0.188 19872 1535 1 3 . 1 1 126 126 LEU C C 126 179.100 179.100 178.120 0.980 19872 1536 1 3 . 1 1 126 126 LEU CA C 126 57.800 57.800 56.535 1.265 19872 1537 1 3 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.815 -0.015 19872 1538 1 3 . 1 1 127 127 GLN N N 127 119.900 119.900 117.696 2.204 19872 1539 1 3 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.255 -0.285 19872 1540 1 3 . 1 1 127 127 GLN C C 127 178.200 178.200 178.022 0.178 19872 1541 1 3 . 1 1 127 127 GLN CA C 127 59.000 59.000 57.895 1.105 19872 1542 1 3 . 1 1 127 127 GLN CB C 127 27.900 27.900 29.035 -1.135 19872 1543 1 3 . 1 1 128 128 MET N N 128 117.500 117.500 118.784 -1.284 19872 1544 1 3 . 1 1 128 128 MET HA H 128 4.360 4.360 4.135 0.225 19872 1545 1 3 . 1 1 128 128 MET C C 128 179.600 179.600 178.887 0.713 19872 1546 1 3 . 1 1 128 128 MET CA C 128 57.800 57.800 59.042 -1.242 19872 1547 1 3 . 1 1 128 128 MET CB C 128 33.500 33.500 32.543 0.957 19872 1548 1 3 . 1 1 129 129 HIS N N 129 122.300 122.300 119.438 2.862 19872 1549 1 3 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.405 -0.055 19872 1550 1 3 . 1 1 129 129 HIS C C 129 177.000 177.000 177.750 -0.750 19872 1551 1 3 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.001 -0.801 19872 1552 1 3 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.827 1.273 19872 1553 1 3 . 1 1 130 130 GLN N N 130 116.700 116.700 117.434 -0.734 19872 1554 1 3 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.080 -0.320 19872 1555 1 3 . 1 1 130 130 GLN C C 130 177.600 177.600 177.739 -0.139 19872 1556 1 3 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.439 0.361 19872 1557 1 3 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.333 -1.033 19872 1558 1 3 . 1 1 131 131 ASN N N 131 114.200 114.200 117.692 -3.492 19872 1559 1 3 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.600 0.020 19872 1560 1 3 . 1 1 131 131 ASN C C 131 176.600 176.600 176.266 0.334 19872 1561 1 3 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.660 -1.360 19872 1562 1 3 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.176 -1.176 19872 1563 1 3 . 1 1 132 132 GLY N N 132 106.600 106.600 106.282 0.318 19872 1564 1 3 . 1 1 132 132 GLY C C 132 175.300 175.300 175.093 0.207 19872 1565 1 3 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.232 -0.032 19872 1566 1 3 . 1 1 133 133 ASP N N 133 122.900 122.900 121.813 1.087 19872 1567 1 3 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.554 -0.184 19872 1568 1 3 . 1 1 133 133 ASP C C 133 178.700 178.700 177.874 0.826 19872 1569 1 3 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.269 0.431 19872 1570 1 3 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.520 -0.520 19872 1571 1 3 . 1 1 134 134 LEU N N 134 118.900 118.900 119.034 -0.134 19872 1572 1 3 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.148 -0.368 19872 1573 1 3 . 1 1 134 134 LEU C C 134 177.300 177.300 178.064 -0.764 19872 1574 1 3 . 1 1 134 134 LEU CA C 134 57.300 57.300 57.151 0.149 19872 1575 1 3 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.735 -1.735 19872 1576 1 3 . 1 1 135 135 VAL N N 135 116.600 116.600 119.326 -2.726 19872 1577 1 3 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.615 -0.215 19872 1578 1 3 . 1 1 135 135 VAL C C 135 178.300 178.300 177.760 0.540 19872 1579 1 3 . 1 1 135 135 VAL CA C 135 66.800 66.800 67.000 -0.200 19872 1580 1 3 . 1 1 135 135 VAL CB C 135 31.200 31.200 31.312 -0.112 19872 1581 1 3 . 1 1 136 136 GLU N N 136 118.600 118.600 119.385 -0.785 19872 1582 1 3 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.028 -0.008 19872 1583 1 3 . 1 1 136 136 GLU C C 136 178.800 178.800 179.064 -0.264 19872 1584 1 3 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.227 -1.227 19872 1585 1 3 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.748 -0.248 19872 1586 1 3 . 1 1 137 137 GLU N N 137 119.500 119.500 120.700 -1.200 19872 1587 1 3 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.106 -0.216 19872 1588 1 3 . 1 1 137 137 GLU C C 137 179.500 179.500 179.182 0.318 19872 1589 1 3 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.999 -0.999 19872 1590 1 3 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.298 -0.698 19872 1591 1 3 . 1 1 138 138 LEU N N 138 117.400 117.400 119.867 -2.467 19872 1592 1 3 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.930 -0.040 19872 1593 1 3 . 1 1 138 138 LEU C C 138 179.200 179.200 178.924 0.276 19872 1594 1 3 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.777 -0.277 19872 1595 1 3 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.880 -2.580 19872 1596 1 3 . 1 1 139 139 LYS N N 139 121.100 121.100 119.184 1.916 19872 1597 1 3 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.000 -0.150 19872 1598 1 3 . 1 1 139 139 LYS C C 139 180.900 180.900 179.253 1.647 19872 1599 1 3 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.446 0.154 19872 1600 1 3 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.316 -0.516 19872 1601 1 3 . 1 1 140 140 LYS N N 140 119.800 119.800 118.879 0.921 19872 1602 1 3 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.089 -0.149 19872 1603 1 3 . 1 1 140 140 LYS C C 140 177.600 177.600 178.319 -0.719 19872 1604 1 3 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.760 -0.060 19872 1605 1 3 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.380 -0.480 19872 1606 1 3 . 1 1 141 141 LEU N N 141 116.600 116.600 118.172 -1.572 19872 1607 1 3 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.327 -0.007 19872 1608 1 3 . 1 1 141 141 LEU C C 141 176.400 176.400 177.684 -1.284 19872 1609 1 3 . 1 1 141 141 LEU CA C 141 53.600 53.600 55.361 -1.761 19872 1610 1 3 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.564 0.436 19872 1611 1 3 . 1 1 142 142 GLY N N 142 107.200 107.200 107.310 -0.110 19872 1612 1 3 . 1 1 142 142 GLY C C 142 173.900 173.900 174.935 -1.035 19872 1613 1 3 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.547 -0.547 19872 1614 1 3 . 1 1 143 143 ILE N N 143 121.600 121.600 121.476 0.124 19872 1615 1 3 . 1 1 143 143 ILE HA H 143 4.020 4.020 3.972 0.048 19872 1616 1 3 . 1 1 143 143 ILE C C 143 173.900 173.900 175.726 -1.826 19872 1617 1 3 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.704 -1.704 19872 1618 1 3 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.592 0.108 19872 1619 1 3 . 1 1 144 144 HIS N N 144 128.000 128.000 126.762 1.238 19872 1620 1 3 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.653 -0.313 19872 1621 1 3 . 1 1 144 144 HIS C C 144 173.800 173.800 174.800 -1.000 19872 1622 1 3 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.819 -1.520 19872 1623 1 3 . 1 1 144 144 HIS CB C 144 28.600 28.600 29.954 -1.354 19872 1624 1 3 . 1 1 145 145 SER N N 145 121.400 121.400 122.554 -1.154 19872 1625 1 3 . 1 1 145 145 SER HA H 145 4.470 4.470 4.518 -0.048 19872 1626 1 3 . 1 1 145 145 SER CA C 145 57.800 57.800 58.598 -0.798 19872 1627 1 3 . 1 1 145 145 SER CB C 145 62.200 62.200 64.576 -2.377 19872 1628 1 3 . 1 1 146 146 ALA N N 146 130.100 130.100 128.824 1.276 19872 1629 1 3 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.287 -0.107 19872 1630 1 3 . 1 1 146 146 ALA C C 146 178.100 178.100 179.116 -1.016 19872 1631 1 3 . 1 1 146 146 ALA CA C 146 52.900 52.900 54.209 -1.309 19872 1632 1 3 . 1 1 146 146 ALA CB C 146 17.700 17.700 19.134 -1.434 19872 1633 1 3 . 1 1 147 147 LEU N N 147 117.800 117.800 117.544 0.256 19872 1634 1 3 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.137 -0.077 19872 1635 1 3 . 1 1 147 147 LEU C C 147 177.700 177.700 178.691 -0.991 19872 1636 1 3 . 1 1 147 147 LEU CA C 147 55.100 55.100 55.815 -0.715 19872 1637 1 3 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.203 -0.803 19872 1638 1 3 . 1 1 148 148 LEU N N 148 120.100 120.100 120.338 -0.238 19872 1639 1 3 . 1 1 148 148 LEU HA H 148 4.180 4.180 4.061 0.119 19872 1640 1 3 . 1 1 148 148 LEU C C 148 176.500 176.500 177.519 -1.019 19872 1641 1 3 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.164 -2.464 19872 1642 1 3 . 1 1 148 148 LEU CB C 148 42.000 42.000 42.032 -0.032 19872 1643 1 3 . 1 1 149 149 ASP N N 149 121.900 121.900 116.660 5.240 19872 1644 1 3 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.823 -0.223 19872 1645 1 3 . 1 1 149 149 ASP C C 149 174.800 174.800 175.240 -0.440 19872 1646 1 3 . 1 1 149 149 ASP CA C 149 53.900 53.900 53.805 0.095 19872 1647 1 3 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.438 -0.838 19872 1648 1 4 . 1 1 2 2 SER HA H 2 4.360 4.360 4.371 -0.011 19872 1649 1 4 . 1 1 2 2 SER C C 2 173.800 173.800 173.043 0.757 19872 1650 1 4 . 1 1 2 2 SER CA C 2 58.000 58.000 58.114 -0.114 19872 1651 1 4 . 1 1 2 2 SER CB C 2 63.100 63.100 65.593 -2.493 19872 1652 1 4 . 1 1 3 3 PHE N N 3 122.000 122.000 120.382 1.618 19872 1653 1 4 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.766 -0.156 19872 1654 1 4 . 1 1 3 3 PHE C C 3 175.300 175.300 175.111 0.189 19872 1655 1 4 . 1 1 3 3 PHE CA C 3 57.300 57.300 56.067 1.233 19872 1656 1 4 . 1 1 3 3 PHE CB C 3 39.300 39.300 38.518 0.782 19872 1657 1 4 . 1 1 4 4 THR N N 4 116.900 116.900 110.978 5.922 19872 1658 1 4 . 1 1 4 4 THR HA H 4 4.180 4.180 4.724 -0.544 19872 1659 1 4 . 1 1 4 4 THR C C 4 173.800 173.800 174.358 -0.558 19872 1660 1 4 . 1 1 4 4 THR CA C 4 61.000 61.000 59.954 1.046 19872 1661 1 4 . 1 1 4 4 THR CB C 4 69.300 69.300 71.780 -2.480 19872 1662 1 4 . 1 1 36 36 ALA N N 36 123.600 123.600 123.453 0.147 19872 1663 1 4 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.106 0.124 19872 1664 1 4 . 1 1 36 36 ALA C C 36 178.100 178.100 178.011 0.089 19872 1665 1 4 . 1 1 36 36 ALA CA C 36 52.000 52.000 53.302 -1.302 19872 1666 1 4 . 1 1 36 36 ALA CB C 36 18.700 18.700 19.575 -0.875 19872 1667 1 4 . 1 1 37 37 GLY N N 37 108.200 108.200 105.160 3.040 19872 1668 1 4 . 1 1 37 37 GLY C C 37 174.500 174.500 173.230 1.270 19872 1669 1 4 . 1 1 37 37 GLY CA C 37 44.800 44.800 44.764 0.036 19872 1670 1 4 . 1 1 38 38 GLY N N 38 108.200 108.200 107.629 0.571 19872 1671 1 4 . 1 1 38 38 GLY C C 38 174.500 174.500 174.078 0.422 19872 1672 1 4 . 1 1 38 38 GLY CA C 38 44.700 44.700 45.354 -0.654 19872 1673 1 4 . 1 1 39 39 GLY N N 39 108.600 108.600 106.729 1.871 19872 1674 1 4 . 1 1 39 39 GLY C C 39 174.100 174.100 174.588 -0.488 19872 1675 1 4 . 1 1 39 39 GLY CA C 39 44.800 44.800 44.982 -0.182 19872 1676 1 4 . 1 1 40 40 GLY N N 40 107.700 107.700 106.852 0.848 19872 1677 1 4 . 1 1 40 40 GLY C C 40 174.100 174.100 173.244 0.856 19872 1678 1 4 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.895 -0.195 19872 1679 1 4 . 1 1 41 41 SER N N 41 115.700 115.700 113.047 2.653 19872 1680 1 4 . 1 1 41 41 SER HA H 41 4.220 4.220 4.046 0.174 19872 1681 1 4 . 1 1 41 41 SER C C 41 174.800 174.800 175.331 -0.531 19872 1682 1 4 . 1 1 41 41 SER CA C 41 58.400 58.400 58.245 0.155 19872 1683 1 4 . 1 1 41 41 SER CB C 41 63.100 63.100 63.757 -0.657 19872 1684 1 4 . 1 1 42 42 ALA N N 42 124.700 124.700 123.487 1.213 19872 1685 1 4 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.189 -0.239 19872 1686 1 4 . 1 1 42 42 ALA C C 42 178.800 178.800 178.936 -0.136 19872 1687 1 4 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.162 -0.462 19872 1688 1 4 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.881 -1.181 19872 1689 1 4 . 1 1 43 43 GLU N N 43 116.700 116.700 117.647 -0.947 19872 1690 1 4 . 1 1 43 43 GLU HA H 43 3.950 3.950 3.930 0.020 19872 1691 1 4 . 1 1 43 43 GLU C C 43 178.800 178.800 178.560 0.240 19872 1692 1 4 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.907 -0.407 19872 1693 1 4 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.846 -0.246 19872 1694 1 4 . 1 1 44 44 GLN N N 44 119.400 119.400 120.283 -0.883 19872 1695 1 4 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.137 -0.167 19872 1696 1 4 . 1 1 44 44 GLN C C 44 178.200 178.200 178.328 -0.128 19872 1697 1 4 . 1 1 44 44 GLN CA C 44 57.600 57.600 58.172 -0.572 19872 1698 1 4 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.680 -0.580 19872 1699 1 4 . 1 1 45 45 LEU N N 45 121.700 121.700 120.478 1.222 19872 1700 1 4 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.744 -0.174 19872 1701 1 4 . 1 1 45 45 LEU C C 45 177.300 177.300 178.846 -1.546 19872 1702 1 4 . 1 1 45 45 LEU CA C 45 56.500 56.500 57.710 -1.210 19872 1703 1 4 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.494 -0.994 19872 1704 1 4 . 1 1 46 46 ASP N N 46 118.000 118.000 119.326 -1.326 19872 1705 1 4 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.321 -0.291 19872 1706 1 4 . 1 1 46 46 ASP C C 46 176.800 176.800 177.830 -1.030 19872 1707 1 4 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.630 -1.030 19872 1708 1 4 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.970 0.630 19872 1709 1 4 . 1 1 47 47 ALA N N 47 116.100 116.100 121.392 -5.292 19872 1710 1 4 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.306 -0.416 19872 1711 1 4 . 1 1 47 47 ALA C C 47 180.300 180.300 178.970 1.330 19872 1712 1 4 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.393 -0.393 19872 1713 1 4 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.588 -1.188 19872 1714 1 4 . 1 1 48 48 LEU N N 48 117.800 117.800 118.469 -0.669 19872 1715 1 4 . 1 1 48 48 LEU HA H 48 3.840 3.840 3.999 -0.159 19872 1716 1 4 . 1 1 48 48 LEU C C 48 180.100 180.100 179.225 0.875 19872 1717 1 4 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.664 -0.264 19872 1718 1 4 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.467 -0.567 19872 1719 1 4 . 1 1 49 49 VAL N N 49 112.100 112.100 114.317 -2.217 19872 1720 1 4 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.861 0.019 19872 1721 1 4 . 1 1 49 49 VAL C C 49 176.000 176.000 177.223 -1.223 19872 1722 1 4 . 1 1 49 49 VAL CA C 49 64.200 64.200 64.963 -0.763 19872 1723 1 4 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.134 -0.134 19872 1724 1 4 . 1 1 50 50 LYS N N 50 115.400 115.400 118.449 -3.049 19872 1725 1 4 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.439 -0.279 19872 1726 1 4 . 1 1 50 50 LYS C C 50 177.900 177.900 176.400 1.500 19872 1727 1 4 . 1 1 50 50 LYS CA C 50 56.200 56.200 55.576 0.624 19872 1728 1 4 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.863 0.537 19872 1729 1 4 . 1 1 51 51 LYS N N 51 119.000 119.000 117.938 1.062 19872 1730 1 4 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.191 -0.271 19872 1731 1 4 . 1 1 51 51 LYS C C 51 174.700 174.700 176.531 -1.831 19872 1732 1 4 . 1 1 51 51 LYS CA C 51 58.000 58.000 58.311 -0.311 19872 1733 1 4 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.853 -0.554 19872 1734 1 4 . 1 1 52 52 ASP N N 52 113.400 113.400 117.047 -3.647 19872 1735 1 4 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.882 0.108 19872 1736 1 4 . 1 1 52 52 ASP C C 52 174.400 174.400 174.925 -0.525 19872 1737 1 4 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.448 -0.648 19872 1738 1 4 . 1 1 52 52 ASP CB C 52 45.600 45.600 44.179 1.421 19872 1739 1 4 . 1 1 53 53 LYS N N 53 119.500 119.500 118.757 0.743 19872 1740 1 4 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.154 -0.144 19872 1741 1 4 . 1 1 53 53 LYS C C 53 176.100 176.100 175.817 0.283 19872 1742 1 4 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.566 2.234 19872 1743 1 4 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.199 0.401 19872 1744 1 4 . 1 1 54 54 VAL N N 54 117.700 117.700 118.997 -1.297 19872 1745 1 4 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.780 -0.160 19872 1746 1 4 . 1 1 54 54 VAL C C 54 173.700 173.700 174.082 -0.382 19872 1747 1 4 . 1 1 54 54 VAL CA C 54 60.900 60.900 60.340 0.560 19872 1748 1 4 . 1 1 54 54 VAL CB C 54 32.300 32.300 31.836 0.464 19872 1749 1 4 . 1 1 55 55 VAL N N 55 127.100 127.100 127.839 -0.739 19872 1750 1 4 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.948 0.002 19872 1751 1 4 . 1 1 55 55 VAL C C 55 174.400 174.400 175.140 -0.740 19872 1752 1 4 . 1 1 55 55 VAL CA C 55 60.600 60.600 60.652 -0.052 19872 1753 1 4 . 1 1 55 55 VAL CB C 55 35.200 35.200 32.642 2.558 19872 1754 1 4 . 1 1 56 56 VAL N N 56 119.700 119.700 127.483 -7.783 19872 1755 1 4 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.093 0.347 19872 1756 1 4 . 1 1 56 56 VAL C C 56 173.400 173.400 174.668 -1.268 19872 1757 1 4 . 1 1 56 56 VAL CA C 56 58.000 58.000 60.824 -2.824 19872 1758 1 4 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.836 -0.036 19872 1759 1 4 . 1 1 57 57 PHE N N 57 122.400 122.400 124.252 -1.852 19872 1760 1 4 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.113 0.097 19872 1761 1 4 . 1 1 57 57 PHE C C 57 174.800 174.800 174.027 0.773 19872 1762 1 4 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.514 -1.114 19872 1763 1 4 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.426 -0.726 19872 1764 1 4 . 1 1 58 58 LEU N N 58 120.500 120.500 120.429 0.071 19872 1765 1 4 . 1 1 58 58 LEU HA H 58 4.700 4.700 4.998 -0.298 19872 1766 1 4 . 1 1 58 58 LEU C C 58 175.500 175.500 175.525 -0.025 19872 1767 1 4 . 1 1 58 58 LEU CA C 58 53.000 53.000 54.051 -1.051 19872 1768 1 4 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.796 -0.696 19872 1769 1 4 . 1 1 59 59 LYS N N 59 117.800 117.800 119.588 -1.788 19872 1770 1 4 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.559 -0.209 19872 1771 1 4 . 1 1 59 59 LYS C C 59 175.200 175.200 175.788 -0.588 19872 1772 1 4 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.036 0.064 19872 1773 1 4 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.680 0.620 19872 1774 1 4 . 1 1 60 60 GLY N N 60 114.800 114.800 109.912 4.888 19872 1775 1 4 . 1 1 60 60 GLY C C 60 170.300 170.300 172.309 -2.009 19872 1776 1 4 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.817 -1.917 19872 1777 1 4 . 1 1 61 61 THR N N 61 107.800 107.800 110.167 -2.367 19872 1778 1 4 . 1 1 61 61 THR HA H 61 4.740 4.740 4.956 -0.216 19872 1779 1 4 . 1 1 61 61 THR C C 61 173.100 173.100 173.759 -0.659 19872 1780 1 4 . 1 1 61 61 THR CA C 61 57.400 57.400 59.379 -1.979 19872 1781 1 4 . 1 1 61 61 THR CB C 61 68.800 68.800 70.332 -1.532 19872 1782 1 4 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.393 -0.423 19872 1783 1 4 . 1 1 62 62 PRO C C 62 177.200 177.200 176.966 0.234 19872 1784 1 4 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.760 0.140 19872 1785 1 4 . 1 1 62 62 PRO CB C 62 31.100 31.100 31.971 -0.871 19872 1786 1 4 . 1 1 63 63 GLU N N 63 111.900 111.900 116.432 -4.532 19872 1787 1 4 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.352 -0.412 19872 1788 1 4 . 1 1 63 63 GLU C C 63 176.500 176.500 176.565 -0.065 19872 1789 1 4 . 1 1 63 63 GLU CA C 63 58.100 58.100 57.102 0.998 19872 1790 1 4 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.982 -0.782 19872 1791 1 4 . 1 1 64 64 GLN N N 64 117.700 117.700 118.341 -0.641 19872 1792 1 4 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.776 -0.296 19872 1793 1 4 . 1 1 64 64 GLN C C 64 171.500 171.500 173.956 -2.456 19872 1794 1 4 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.378 0.022 19872 1795 1 4 . 1 1 64 64 GLN CB C 64 29.100 29.100 30.149 -1.049 19872 1796 1 4 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.670 -0.120 19872 1797 1 4 . 1 1 65 65 PRO C C 65 177.900 177.900 178.166 -0.266 19872 1798 1 4 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.930 0.070 19872 1799 1 4 . 1 1 65 65 PRO CB C 65 31.700 31.700 30.527 1.173 19872 1800 1 4 . 1 1 66 66 GLN N N 66 119.700 119.700 123.100 -3.400 19872 1801 1 4 . 1 1 66 66 GLN HA H 66 4.500 4.500 4.008 0.492 19872 1802 1 4 . 1 1 66 66 GLN C C 66 174.400 174.400 175.538 -1.138 19872 1803 1 4 . 1 1 66 66 GLN CA C 66 54.600 54.600 58.707 -4.107 19872 1804 1 4 . 1 1 66 66 GLN CB C 66 29.100 29.100 27.690 1.410 19872 1805 1 4 . 1 1 67 67 CYS N N 67 116.700 116.700 118.906 -2.206 19872 1806 1 4 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.619 0.081 19872 1807 1 4 . 1 1 67 67 CYS C C 67 176.500 176.500 175.223 1.277 19872 1808 1 4 . 1 1 67 67 CYS CA C 67 58.700 58.700 58.261 0.439 19872 1809 1 4 . 1 1 67 67 CYS CB C 67 32.800 32.800 26.916 5.884 19872 1810 1 4 . 1 1 68 68 GLY C C 68 176.500 176.500 175.645 0.855 19872 1811 1 4 . 1 1 68 68 GLY CA C 68 45.900 45.900 46.846 -0.946 19872 1812 1 4 . 1 1 69 69 PHE N N 69 125.800 125.800 121.689 4.111 19872 1813 1 4 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.351 0.359 19872 1814 1 4 . 1 1 69 69 PHE C C 69 178.300 178.300 177.366 0.934 19872 1815 1 4 . 1 1 69 69 PHE CA C 69 59.900 59.900 59.270 0.631 19872 1816 1 4 . 1 1 69 69 PHE CB C 69 37.900 37.900 38.518 -0.618 19872 1817 1 4 . 1 1 70 70 SER N N 70 124.200 124.200 114.872 9.328 19872 1818 1 4 . 1 1 70 70 SER HA H 70 3.980 3.980 4.130 -0.150 19872 1819 1 4 . 1 1 70 70 SER CA C 70 63.800 63.800 61.717 2.083 19872 1820 1 4 . 1 1 70 70 SER CB C 70 62.000 62.000 63.048 -1.048 19872 1821 1 4 . 1 1 71 71 ASN N N 71 118.500 118.500 120.089 -1.589 19872 1822 1 4 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.588 -0.438 19872 1823 1 4 . 1 1 71 71 ASN C C 71 175.800 175.800 176.506 -0.706 19872 1824 1 4 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.733 0.667 19872 1825 1 4 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.598 0.202 19872 1826 1 4 . 1 1 72 72 ALA N N 72 119.900 119.900 122.905 -3.005 19872 1827 1 4 . 1 1 72 72 ALA HA H 72 3.980 3.980 3.992 -0.012 19872 1828 1 4 . 1 1 72 72 ALA C C 72 179.700 179.700 179.601 0.099 19872 1829 1 4 . 1 1 72 72 ALA CA C 72 54.800 54.800 55.180 -0.380 19872 1830 1 4 . 1 1 72 72 ALA CB C 72 17.700 17.700 17.997 -0.297 19872 1831 1 4 . 1 1 73 73 VAL N N 73 115.700 115.700 114.151 1.549 19872 1832 1 4 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.728 -0.388 19872 1833 1 4 . 1 1 73 73 VAL C C 73 176.300 176.300 177.160 -0.860 19872 1834 1 4 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.369 0.831 19872 1835 1 4 . 1 1 73 73 VAL CB C 73 31.100 31.100 30.750 0.350 19872 1836 1 4 . 1 1 74 74 VAL N N 74 118.100 118.100 121.391 -3.291 19872 1837 1 4 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.604 -0.274 19872 1838 1 4 . 1 1 74 74 VAL C C 74 178.800 178.800 178.347 0.453 19872 1839 1 4 . 1 1 74 74 VAL CA C 74 66.100 66.100 65.896 0.204 19872 1840 1 4 . 1 1 74 74 VAL CB C 74 31.100 31.100 30.819 0.281 19872 1841 1 4 . 1 1 75 75 GLN N N 75 119.000 119.000 119.808 -0.808 19872 1842 1 4 . 1 1 75 75 GLN HA H 75 3.910 3.910 3.979 -0.069 19872 1843 1 4 . 1 1 75 75 GLN C C 75 178.500 178.500 178.821 -0.321 19872 1844 1 4 . 1 1 75 75 GLN CA C 75 57.900 57.900 59.235 -1.335 19872 1845 1 4 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.302 -1.202 19872 1846 1 4 . 1 1 76 76 ILE N N 76 120.600 120.600 120.399 0.201 19872 1847 1 4 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.367 -0.047 19872 1848 1 4 . 1 1 76 76 ILE C C 76 177.600 177.600 178.350 -0.750 19872 1849 1 4 . 1 1 76 76 ILE CA C 76 64.700 64.700 65.254 -0.554 19872 1850 1 4 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.556 -0.656 19872 1851 1 4 . 1 1 77 77 LEU N N 77 117.800 117.800 120.065 -2.265 19872 1852 1 4 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.938 -0.208 19872 1853 1 4 . 1 1 77 77 LEU C C 77 178.400 178.400 179.103 -0.703 19872 1854 1 4 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.586 -0.486 19872 1855 1 4 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.487 -2.087 19872 1856 1 4 . 1 1 78 78 ARG N N 78 118.800 118.800 119.473 -0.673 19872 1857 1 4 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.255 -0.175 19872 1858 1 4 . 1 1 78 78 ARG C C 78 180.800 180.800 179.463 1.337 19872 1859 1 4 . 1 1 78 78 ARG CA C 78 58.900 58.900 58.960 -0.060 19872 1860 1 4 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.689 -0.389 19872 1861 1 4 . 1 1 79 79 LEU N N 79 123.200 123.200 121.310 1.890 19872 1862 1 4 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.057 -0.167 19872 1863 1 4 . 1 1 79 79 LEU C C 79 178.200 178.200 178.366 -0.166 19872 1864 1 4 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.342 0.158 19872 1865 1 4 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.916 -0.416 19872 1866 1 4 . 1 1 80 80 HIS N N 80 112.200 112.200 114.006 -1.806 19872 1867 1 4 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.535 -0.435 19872 1868 1 4 . 1 1 80 80 HIS C C 80 176.000 176.000 176.627 -0.627 19872 1869 1 4 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.729 0.271 19872 1870 1 4 . 1 1 80 80 HIS CB C 80 31.700 31.700 30.168 1.532 19872 1871 1 4 . 1 1 81 81 GLY N N 81 111.700 111.700 107.375 4.325 19872 1872 1 4 . 1 1 81 81 GLY C C 81 174.000 174.000 174.153 -0.153 19872 1873 1 4 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.450 0.150 19872 1874 1 4 . 1 1 82 82 VAL N N 82 120.400 120.400 123.014 -2.614 19872 1875 1 4 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.261 -0.451 19872 1876 1 4 . 1 1 82 82 VAL C C 82 174.800 174.800 175.331 -0.531 19872 1877 1 4 . 1 1 82 82 VAL CA C 82 62.200 62.200 61.993 0.207 19872 1878 1 4 . 1 1 82 82 VAL CB C 82 29.700 29.700 31.669 -1.969 19872 1879 1 4 . 1 1 83 83 ARG N N 83 126.600 126.600 125.394 1.206 19872 1880 1 4 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.429 -0.069 19872 1881 1 4 . 1 1 83 83 ARG C C 83 176.000 176.000 176.002 -0.002 19872 1882 1 4 . 1 1 83 83 ARG CA C 83 55.600 55.600 56.060 -0.460 19872 1883 1 4 . 1 1 83 83 ARG CB C 83 31.100 31.100 31.240 -0.140 19872 1884 1 4 . 1 1 84 84 ASP N N 84 118.400 118.400 120.595 -2.195 19872 1885 1 4 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.525 0.025 19872 1886 1 4 . 1 1 84 84 ASP C C 84 174.200 174.200 175.309 -1.109 19872 1887 1 4 . 1 1 84 84 ASP CA C 84 53.000 53.000 52.995 0.005 19872 1888 1 4 . 1 1 84 84 ASP CB C 84 40.000 40.000 39.941 0.059 19872 1889 1 4 . 1 1 85 85 TYR N N 85 116.200 116.200 117.036 -0.836 19872 1890 1 4 . 1 1 85 85 TYR HA H 85 4.750 4.750 5.040 -0.290 19872 1891 1 4 . 1 1 85 85 TYR C C 85 173.100 173.100 175.807 -2.707 19872 1892 1 4 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.518 -1.518 19872 1893 1 4 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.968 0.232 19872 1894 1 4 . 1 1 86 86 ALA N N 86 125.000 125.000 123.161 1.839 19872 1895 1 4 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.711 -0.491 19872 1896 1 4 . 1 1 86 86 ALA C C 86 174.300 174.300 175.775 -1.475 19872 1897 1 4 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.652 0.148 19872 1898 1 4 . 1 1 86 86 ALA CB C 86 20.400 20.400 20.625 -0.225 19872 1899 1 4 . 1 1 87 87 ALA N N 87 124.400 124.400 128.839 -4.439 19872 1900 1 4 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.665 0.505 19872 1901 1 4 . 1 1 87 87 ALA C C 87 175.400 175.400 176.113 -0.713 19872 1902 1 4 . 1 1 87 87 ALA CA C 87 48.900 48.900 51.120 -2.220 19872 1903 1 4 . 1 1 87 87 ALA CB C 87 21.400 21.400 19.532 1.868 19872 1904 1 4 . 1 1 88 88 TYR N N 88 121.100 121.100 124.028 -2.928 19872 1905 1 4 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.422 0.068 19872 1906 1 4 . 1 1 88 88 TYR C C 88 174.100 174.100 175.103 -1.003 19872 1907 1 4 . 1 1 88 88 TYR CA C 88 56.900 56.900 57.319 -0.419 19872 1908 1 4 . 1 1 88 88 TYR CB C 88 40.200 40.200 39.883 0.317 19872 1909 1 4 . 1 1 89 89 ASN N N 89 122.300 122.300 124.252 -1.952 19872 1910 1 4 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.225 -0.035 19872 1911 1 4 . 1 1 89 89 ASN C C 89 178.000 178.000 175.898 2.102 19872 1912 1 4 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.777 -1.977 19872 1913 1 4 . 1 1 89 89 ASN CB C 89 38.000 38.000 39.060 -1.060 19872 1914 1 4 . 1 1 90 90 VAL N N 90 117.900 117.900 121.126 -3.226 19872 1915 1 4 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.269 -0.089 19872 1916 1 4 . 1 1 90 90 VAL C C 90 176.700 176.700 175.401 1.299 19872 1917 1 4 . 1 1 90 90 VAL CA C 90 62.200 62.200 62.547 -0.347 19872 1918 1 4 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.056 -0.556 19872 1919 1 4 . 1 1 91 91 LEU N N 91 118.900 118.900 120.395 -1.495 19872 1920 1 4 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.196 -0.136 19872 1921 1 4 . 1 1 91 91 LEU C C 91 177.500 177.500 178.290 -0.790 19872 1922 1 4 . 1 1 91 91 LEU CA C 91 56.000 56.000 57.126 -1.126 19872 1923 1 4 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.778 -1.378 19872 1924 1 4 . 1 1 92 92 ASP N N 92 115.500 115.500 118.118 -2.618 19872 1925 1 4 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.538 0.132 19872 1926 1 4 . 1 1 92 92 ASP C C 92 175.500 175.500 176.275 -0.775 19872 1927 1 4 . 1 1 92 92 ASP CA C 92 54.100 54.100 56.184 -2.084 19872 1928 1 4 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.580 -0.580 19872 1929 1 4 . 1 1 93 93 ASP N N 93 115.000 115.000 118.824 -3.824 19872 1930 1 4 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.088 -0.058 19872 1931 1 4 . 1 1 93 93 ASP C C 93 172.800 172.800 175.092 -2.292 19872 1932 1 4 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.632 -1.132 19872 1933 1 4 . 1 1 93 93 ASP CB C 93 41.900 41.900 42.037 -0.137 19872 1934 1 4 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.359 -0.089 19872 1935 1 4 . 1 1 94 94 PRO C C 94 179.300 179.300 178.290 1.010 19872 1936 1 4 . 1 1 94 94 PRO CA C 94 64.100 64.100 64.764 -0.664 19872 1937 1 4 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.316 -0.516 19872 1938 1 4 . 1 1 95 95 GLU N N 95 118.600 118.600 119.351 -0.751 19872 1939 1 4 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.077 -0.037 19872 1940 1 4 . 1 1 95 95 GLU C C 95 179.500 179.500 178.960 0.540 19872 1941 1 4 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.602 -1.002 19872 1942 1 4 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.530 0.070 19872 1943 1 4 . 1 1 96 96 LEU N N 96 123.800 123.800 120.275 3.525 19872 1944 1 4 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.070 -0.180 19872 1945 1 4 . 1 1 96 96 LEU C C 96 177.200 177.200 179.010 -1.810 19872 1946 1 4 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.358 -0.258 19872 1947 1 4 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.778 -0.478 19872 1948 1 4 . 1 1 97 97 ARG N N 97 117.900 117.900 119.360 -1.460 19872 1949 1 4 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.881 -0.341 19872 1950 1 4 . 1 1 97 97 ARG C C 97 176.400 176.400 178.271 -1.871 19872 1951 1 4 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.042 -0.142 19872 1952 1 4 . 1 1 97 97 ARG CB C 97 30.400 30.400 29.983 0.417 19872 1953 1 4 . 1 1 98 98 GLN N N 98 114.400 114.400 118.363 -3.963 19872 1954 1 4 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.076 -0.256 19872 1955 1 4 . 1 1 98 98 GLN C C 98 177.500 177.500 178.403 -0.903 19872 1956 1 4 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.853 -1.953 19872 1957 1 4 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.511 -0.511 19872 1958 1 4 . 1 1 99 99 GLY N N 99 107.700 107.700 107.957 -0.257 19872 1959 1 4 . 1 1 99 99 GLY C C 99 176.700 176.700 176.195 0.505 19872 1960 1 4 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.270 -0.770 19872 1961 1 4 . 1 1 100 100 ILE N N 100 120.900 120.900 122.228 -1.328 19872 1962 1 4 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.930 0.050 19872 1963 1 4 . 1 1 100 100 ILE C C 100 176.800 176.800 177.376 -0.576 19872 1964 1 4 . 1 1 100 100 ILE CA C 100 60.500 60.500 61.221 -0.721 19872 1965 1 4 . 1 1 100 100 ILE CB C 100 37.500 37.500 38.145 -0.645 19872 1966 1 4 . 1 1 101 101 LYS N N 101 124.600 124.600 121.180 3.420 19872 1967 1 4 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.294 -0.214 19872 1968 1 4 . 1 1 101 101 LYS C C 101 178.900 178.900 178.912 -0.012 19872 1969 1 4 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.794 -1.095 19872 1970 1 4 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.230 -0.430 19872 1971 1 4 . 1 1 102 102 ASP N N 102 118.700 118.700 119.435 -0.735 19872 1972 1 4 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.489 -0.239 19872 1973 1 4 . 1 1 102 102 ASP C C 102 177.700 177.700 178.810 -1.110 19872 1974 1 4 . 1 1 102 102 ASP CA C 102 56.200 56.200 56.928 -0.728 19872 1975 1 4 . 1 1 102 102 ASP CB C 102 39.700 39.700 40.868 -1.168 19872 1976 1 4 . 1 1 103 103 TYR N N 103 120.300 120.300 120.791 -0.491 19872 1977 1 4 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.287 -0.227 19872 1978 1 4 . 1 1 103 103 TYR C C 103 176.600 176.600 177.340 -0.740 19872 1979 1 4 . 1 1 103 103 TYR CA C 103 60.500 60.500 60.589 -0.089 19872 1980 1 4 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.759 1.141 19872 1981 1 4 . 1 1 104 104 SER N N 104 110.900 110.900 113.354 -2.454 19872 1982 1 4 . 1 1 104 104 SER HA H 104 3.900 3.900 4.404 -0.504 19872 1983 1 4 . 1 1 104 104 SER C C 104 174.600 174.600 174.946 -0.346 19872 1984 1 4 . 1 1 104 104 SER CA C 104 57.700 57.700 58.101 -0.401 19872 1985 1 4 . 1 1 104 104 SER CB C 104 63.900 63.900 63.820 0.080 19872 1986 1 4 . 1 1 105 105 ASN N N 105 117.900 117.900 117.918 -0.018 19872 1987 1 4 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.625 -0.425 19872 1988 1 4 . 1 1 105 105 ASN C C 105 173.200 173.200 174.385 -1.185 19872 1989 1 4 . 1 1 105 105 ASN CA C 105 53.800 53.800 55.001 -1.201 19872 1990 1 4 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.139 -0.939 19872 1991 1 4 . 1 1 106 106 TRP N N 106 120.600 120.600 118.329 2.271 19872 1992 1 4 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.056 0.024 19872 1993 1 4 . 1 1 106 106 TRP C C 106 175.400 175.400 174.702 0.698 19872 1994 1 4 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.107 -1.607 19872 1995 1 4 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.656 -0.656 19872 1996 1 4 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.432 -0.262 19872 1997 1 4 . 1 1 107 107 PRO C C 107 175.900 175.900 176.301 -0.401 19872 1998 1 4 . 1 1 107 107 PRO CA C 107 63.700 63.700 64.999 -1.299 19872 1999 1 4 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.001 -0.401 19872 2000 1 4 . 1 1 108 108 THR N N 108 110.500 110.500 112.063 -1.563 19872 2001 1 4 . 1 1 108 108 THR HA H 108 4.300 4.300 4.513 -0.213 19872 2002 1 4 . 1 1 108 108 THR C C 108 171.400 171.400 173.083 -1.683 19872 2003 1 4 . 1 1 108 108 THR CA C 108 60.400 60.400 61.818 -1.418 19872 2004 1 4 . 1 1 108 108 THR CB C 108 70.400 70.400 69.593 0.807 19872 2005 1 4 . 1 1 109 109 ILE N N 109 123.100 123.100 125.392 -2.292 19872 2006 1 4 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.546 -0.286 19872 2007 1 4 . 1 1 109 109 ILE C C 109 175.000 175.000 173.349 1.651 19872 2008 1 4 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.155 -1.255 19872 2009 1 4 . 1 1 109 109 ILE CB C 109 40.100 40.100 40.821 -0.721 19872 2010 1 4 . 1 1 110 110 PRO HA H 110 5.340 5.340 4.997 0.343 19872 2011 1 4 . 1 1 110 110 PRO C C 110 175.600 175.600 175.240 0.360 19872 2012 1 4 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.002 -0.502 19872 2013 1 4 . 1 1 110 110 PRO CB C 110 37.500 37.500 33.150 4.350 19872 2014 1 4 . 1 1 111 111 GLN N N 111 114.700 114.700 117.683 -2.983 19872 2015 1 4 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.282 -0.352 19872 2016 1 4 . 1 1 111 111 GLN C C 111 174.100 174.100 174.424 -0.324 19872 2017 1 4 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.536 0.864 19872 2018 1 4 . 1 1 111 111 GLN CB C 111 33.900 33.900 33.004 0.896 19872 2019 1 4 . 1 1 112 112 VAL N N 112 121.000 121.000 118.697 2.303 19872 2020 1 4 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.174 -0.394 19872 2021 1 4 . 1 1 112 112 VAL C C 112 172.300 172.300 173.293 -0.993 19872 2022 1 4 . 1 1 112 112 VAL CA C 112 61.200 61.200 59.947 1.253 19872 2023 1 4 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.152 -1.652 19872 2024 1 4 . 1 1 113 113 TYR N N 113 128.400 128.400 124.589 3.811 19872 2025 1 4 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.278 -0.308 19872 2026 1 4 . 1 1 113 113 TYR C C 113 173.800 173.800 174.353 -0.553 19872 2027 1 4 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.348 0.352 19872 2028 1 4 . 1 1 113 113 TYR CB C 113 41.000 41.000 41.145 -0.145 19872 2029 1 4 . 1 1 114 114 LEU N N 114 117.900 117.900 123.754 -5.854 19872 2030 1 4 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.176 0.154 19872 2031 1 4 . 1 1 114 114 LEU C C 114 178.300 178.300 177.575 0.725 19872 2032 1 4 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.713 -1.613 19872 2033 1 4 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.661 -0.361 19872 2034 1 4 . 1 1 115 115 ASN N N 115 125.000 125.000 123.755 1.245 19872 2035 1 4 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.425 0.075 19872 2036 1 4 . 1 1 115 115 ASN C C 115 175.500 175.500 175.426 0.074 19872 2037 1 4 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.262 -1.562 19872 2038 1 4 . 1 1 115 115 ASN CB C 115 38.700 38.700 37.990 0.710 19872 2039 1 4 . 1 1 116 116 GLY N N 116 105.000 105.000 102.242 2.758 19872 2040 1 4 . 1 1 116 116 GLY C C 116 172.900 172.900 173.197 -0.297 19872 2041 1 4 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.679 -0.580 19872 2042 1 4 . 1 1 117 117 GLU N N 117 118.900 118.900 119.417 -0.517 19872 2043 1 4 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.900 -0.150 19872 2044 1 4 . 1 1 117 117 GLU C C 117 174.700 174.700 174.884 -0.184 19872 2045 1 4 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.097 -0.097 19872 2046 1 4 . 1 1 117 117 GLU CB C 117 31.600 31.600 33.062 -1.462 19872 2047 1 4 . 1 1 118 118 PHE N N 118 124.400 124.400 125.265 -0.865 19872 2048 1 4 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.577 -1.387 19872 2049 1 4 . 1 1 118 118 PHE C C 118 175.500 175.500 174.832 0.668 19872 2050 1 4 . 1 1 118 118 PHE CA C 118 57.500 57.500 57.806 -0.306 19872 2051 1 4 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.816 -1.716 19872 2052 1 4 . 1 1 119 119 VAL N N 119 126.900 126.900 125.380 1.520 19872 2053 1 4 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.103 -0.393 19872 2054 1 4 . 1 1 119 119 VAL C C 119 174.200 174.200 174.355 -0.155 19872 2055 1 4 . 1 1 119 119 VAL CA C 119 61.900 61.900 62.196 -0.296 19872 2056 1 4 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.137 -1.737 19872 2057 1 4 . 1 1 120 120 GLY N N 120 101.400 101.400 105.651 -4.251 19872 2058 1 4 . 1 1 120 120 GLY CA C 120 44.100 44.100 45.006 -0.906 19872 2059 1 4 . 1 1 121 121 GLY N N 121 106.300 106.300 106.014 0.286 19872 2060 1 4 . 1 1 121 121 GLY C C 121 173.100 173.100 174.924 -1.824 19872 2061 1 4 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.592 -0.391 19872 2062 1 4 . 1 1 122 122 CYS N N 122 119.400 119.400 119.200 0.200 19872 2063 1 4 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.087 -0.427 19872 2064 1 4 . 1 1 122 122 CYS C C 122 174.800 174.800 176.156 -1.356 19872 2065 1 4 . 1 1 122 122 CYS CA C 122 61.800 61.800 61.711 0.089 19872 2066 1 4 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.791 -0.191 19872 2067 1 4 . 1 1 123 123 ASP N N 123 117.700 117.700 119.757 -2.057 19872 2068 1 4 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.465 -0.225 19872 2069 1 4 . 1 1 123 123 ASP C C 123 179.100 179.100 177.908 1.192 19872 2070 1 4 . 1 1 123 123 ASP CA C 123 57.700 57.700 57.002 0.698 19872 2071 1 4 . 1 1 123 123 ASP CB C 123 39.200 39.200 41.029 -1.829 19872 2072 1 4 . 1 1 124 124 ILE N N 124 120.700 120.700 120.401 0.299 19872 2073 1 4 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.765 -0.045 19872 2074 1 4 . 1 1 124 124 ILE C C 124 177.200 177.200 177.943 -0.743 19872 2075 1 4 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.933 0.167 19872 2076 1 4 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.260 -0.260 19872 2077 1 4 . 1 1 125 125 LEU N N 125 122.000 122.000 121.299 0.701 19872 2078 1 4 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.953 -0.123 19872 2079 1 4 . 1 1 125 125 LEU C C 125 178.800 178.800 178.481 0.319 19872 2080 1 4 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.392 -0.991 19872 2081 1 4 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.517 -0.717 19872 2082 1 4 . 1 1 126 126 LEU N N 126 118.200 118.200 117.152 1.048 19872 2083 1 4 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.015 -0.055 19872 2084 1 4 . 1 1 126 126 LEU C C 126 179.100 179.100 178.841 0.259 19872 2085 1 4 . 1 1 126 126 LEU CA C 126 57.800 57.800 57.673 0.127 19872 2086 1 4 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.815 -0.015 19872 2087 1 4 . 1 1 127 127 GLN N N 127 119.900 119.900 118.380 1.520 19872 2088 1 4 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.060 -0.090 19872 2089 1 4 . 1 1 127 127 GLN C C 127 178.200 178.200 178.595 -0.395 19872 2090 1 4 . 1 1 127 127 GLN CA C 127 59.000 59.000 58.360 0.640 19872 2091 1 4 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.392 -0.492 19872 2092 1 4 . 1 1 128 128 MET N N 128 117.500 117.500 117.624 -0.124 19872 2093 1 4 . 1 1 128 128 MET HA H 128 4.360 4.360 4.546 -0.186 19872 2094 1 4 . 1 1 128 128 MET C C 128 179.600 179.600 179.080 0.520 19872 2095 1 4 . 1 1 128 128 MET CA C 128 57.800 57.800 58.475 -0.675 19872 2096 1 4 . 1 1 128 128 MET CB C 128 33.500 33.500 32.839 0.661 19872 2097 1 4 . 1 1 129 129 HIS N N 129 122.300 122.300 120.212 2.088 19872 2098 1 4 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.399 -0.049 19872 2099 1 4 . 1 1 129 129 HIS C C 129 177.000 177.000 177.638 -0.638 19872 2100 1 4 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.101 -0.901 19872 2101 1 4 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.879 1.221 19872 2102 1 4 . 1 1 130 130 GLN N N 130 116.700 116.700 116.854 -0.154 19872 2103 1 4 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.118 -0.358 19872 2104 1 4 . 1 1 130 130 GLN C C 130 177.600 177.600 177.301 0.299 19872 2105 1 4 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.252 0.548 19872 2106 1 4 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.158 -0.858 19872 2107 1 4 . 1 1 131 131 ASN N N 131 114.200 114.200 117.612 -3.412 19872 2108 1 4 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.664 -0.044 19872 2109 1 4 . 1 1 131 131 ASN C C 131 176.600 176.600 176.345 0.255 19872 2110 1 4 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.800 -1.500 19872 2111 1 4 . 1 1 131 131 ASN CB C 131 38.000 38.000 40.413 -2.413 19872 2112 1 4 . 1 1 132 132 GLY N N 132 106.600 106.600 108.997 -2.397 19872 2113 1 4 . 1 1 132 132 GLY C C 132 175.300 175.300 175.174 0.126 19872 2114 1 4 . 1 1 132 132 GLY CA C 132 45.200 45.200 44.939 0.261 19872 2115 1 4 . 1 1 133 133 ASP N N 133 122.900 122.900 122.652 0.248 19872 2116 1 4 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.569 -0.199 19872 2117 1 4 . 1 1 133 133 ASP C C 133 178.700 178.700 177.557 1.143 19872 2118 1 4 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.047 0.653 19872 2119 1 4 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.472 -0.472 19872 2120 1 4 . 1 1 134 134 LEU N N 134 118.900 118.900 119.255 -0.355 19872 2121 1 4 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.060 -0.280 19872 2122 1 4 . 1 1 134 134 LEU C C 134 177.300 177.300 178.008 -0.708 19872 2123 1 4 . 1 1 134 134 LEU CA C 134 57.300 57.300 57.156 0.144 19872 2124 1 4 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.556 -1.556 19872 2125 1 4 . 1 1 135 135 VAL N N 135 116.600 116.600 118.882 -2.282 19872 2126 1 4 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.657 -0.257 19872 2127 1 4 . 1 1 135 135 VAL C C 135 178.300 178.300 177.769 0.531 19872 2128 1 4 . 1 1 135 135 VAL CA C 135 66.800 66.800 66.905 -0.105 19872 2129 1 4 . 1 1 135 135 VAL CB C 135 31.200 31.200 31.527 -0.327 19872 2130 1 4 . 1 1 136 136 GLU N N 136 118.600 118.600 119.039 -0.439 19872 2131 1 4 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.021 -0.001 19872 2132 1 4 . 1 1 136 136 GLU C C 136 178.800 178.800 179.030 -0.230 19872 2133 1 4 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.068 -1.068 19872 2134 1 4 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.936 -0.437 19872 2135 1 4 . 1 1 137 137 GLU N N 137 119.500 119.500 120.420 -0.920 19872 2136 1 4 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.042 -0.152 19872 2137 1 4 . 1 1 137 137 GLU C C 137 179.500 179.500 178.923 0.577 19872 2138 1 4 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.821 -0.821 19872 2139 1 4 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.241 -0.641 19872 2140 1 4 . 1 1 138 138 LEU N N 138 117.400 117.400 119.568 -2.168 19872 2141 1 4 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.946 -0.056 19872 2142 1 4 . 1 1 138 138 LEU C C 138 179.200 179.200 178.930 0.270 19872 2143 1 4 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.582 -0.082 19872 2144 1 4 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.858 -2.558 19872 2145 1 4 . 1 1 139 139 LYS N N 139 121.100 121.100 117.858 3.242 19872 2146 1 4 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.079 -0.229 19872 2147 1 4 . 1 1 139 139 LYS C C 139 180.900 180.900 179.392 1.508 19872 2148 1 4 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.130 0.470 19872 2149 1 4 . 1 1 139 139 LYS CB C 139 31.800 31.800 31.991 -0.191 19872 2150 1 4 . 1 1 140 140 LYS N N 140 119.800 119.800 120.290 -0.490 19872 2151 1 4 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.088 -0.148 19872 2152 1 4 . 1 1 140 140 LYS C C 140 177.600 177.600 177.598 0.002 19872 2153 1 4 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.740 -0.040 19872 2154 1 4 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.219 -0.319 19872 2155 1 4 . 1 1 141 141 LEU N N 141 116.600 116.600 116.909 -0.309 19872 2156 1 4 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.529 -0.209 19872 2157 1 4 . 1 1 141 141 LEU C C 141 176.400 176.400 177.657 -1.257 19872 2158 1 4 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.473 -0.873 19872 2159 1 4 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.390 0.610 19872 2160 1 4 . 1 1 142 142 GLY N N 142 107.200 107.200 107.885 -0.685 19872 2161 1 4 . 1 1 142 142 GLY C C 142 173.900 173.900 175.030 -1.130 19872 2162 1 4 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.962 -0.962 19872 2163 1 4 . 1 1 143 143 ILE N N 143 121.600 121.600 120.362 1.238 19872 2164 1 4 . 1 1 143 143 ILE HA H 143 4.020 4.020 3.997 0.023 19872 2165 1 4 . 1 1 143 143 ILE C C 143 173.900 173.900 175.591 -1.691 19872 2166 1 4 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.420 -1.420 19872 2167 1 4 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.462 0.238 19872 2168 1 4 . 1 1 144 144 HIS N N 144 128.000 128.000 126.755 1.245 19872 2169 1 4 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.600 -0.260 19872 2170 1 4 . 1 1 144 144 HIS C C 144 173.800 173.800 174.923 -1.123 19872 2171 1 4 . 1 1 144 144 HIS CA C 144 54.300 54.300 56.030 -1.730 19872 2172 1 4 . 1 1 144 144 HIS CB C 144 28.600 28.600 30.339 -1.739 19872 2173 1 4 . 1 1 145 145 SER N N 145 121.400 121.400 123.197 -1.797 19872 2174 1 4 . 1 1 145 145 SER HA H 145 4.470 4.470 4.591 -0.121 19872 2175 1 4 . 1 1 145 145 SER CA C 145 57.800 57.800 58.330 -0.530 19872 2176 1 4 . 1 1 145 145 SER CB C 145 62.200 62.200 64.036 -1.836 19872 2177 1 4 . 1 1 146 146 ALA N N 146 130.100 130.100 130.690 -0.590 19872 2178 1 4 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.348 -0.168 19872 2179 1 4 . 1 1 146 146 ALA C C 146 178.100 178.100 177.695 0.405 19872 2180 1 4 . 1 1 146 146 ALA CA C 146 52.900 52.900 53.762 -0.862 19872 2181 1 4 . 1 1 146 146 ALA CB C 146 17.700 17.700 18.712 -1.012 19872 2182 1 4 . 1 1 147 147 LEU N N 147 117.800 117.800 116.174 1.626 19872 2183 1 4 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.336 -0.276 19872 2184 1 4 . 1 1 147 147 LEU C C 147 177.700 177.700 178.515 -0.815 19872 2185 1 4 . 1 1 147 147 LEU CA C 147 55.100 55.100 54.650 0.450 19872 2186 1 4 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.973 -1.573 19872 2187 1 4 . 1 1 148 148 LEU N N 148 120.100 120.100 121.878 -1.778 19872 2188 1 4 . 1 1 148 148 LEU HA H 148 4.180 4.180 3.893 0.287 19872 2189 1 4 . 1 1 148 148 LEU C C 148 176.500 176.500 177.451 -0.951 19872 2190 1 4 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.868 -3.168 19872 2191 1 4 . 1 1 148 148 LEU CB C 148 42.000 42.000 42.009 -0.009 19872 2192 1 4 . 1 1 149 149 ASP N N 149 121.900 121.900 116.429 5.471 19872 2193 1 4 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.778 -0.178 19872 2194 1 4 . 1 1 149 149 ASP C C 149 174.800 174.800 175.625 -0.825 19872 2195 1 4 . 1 1 149 149 ASP CA C 149 53.900 53.900 53.772 0.128 19872 2196 1 4 . 1 1 149 149 ASP CB C 149 40.600 40.600 40.976 -0.376 19872 2197 1 5 . 1 1 2 2 SER HA H 2 4.360 4.360 4.232 0.128 19872 2198 1 5 . 1 1 2 2 SER C C 2 173.800 173.800 173.015 0.785 19872 2199 1 5 . 1 1 2 2 SER CA C 2 58.000 58.000 59.201 -1.201 19872 2200 1 5 . 1 1 2 2 SER CB C 2 63.100 63.100 61.910 1.190 19872 2201 1 5 . 1 1 3 3 PHE N N 3 122.000 122.000 118.358 3.642 19872 2202 1 5 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.552 0.058 19872 2203 1 5 . 1 1 3 3 PHE C C 3 175.300 175.300 174.934 0.366 19872 2204 1 5 . 1 1 3 3 PHE CA C 3 57.300 57.300 58.156 -0.856 19872 2205 1 5 . 1 1 3 3 PHE CB C 3 39.300 39.300 41.471 -2.171 19872 2206 1 5 . 1 1 4 4 THR N N 4 116.900 116.900 114.553 2.347 19872 2207 1 5 . 1 1 4 4 THR HA H 4 4.180 4.180 3.765 0.415 19872 2208 1 5 . 1 1 4 4 THR C C 4 173.800 173.800 173.337 0.463 19872 2209 1 5 . 1 1 4 4 THR CA C 4 61.000 61.000 64.184 -3.184 19872 2210 1 5 . 1 1 4 4 THR CB C 4 69.300 69.300 68.364 0.936 19872 2211 1 5 . 1 1 36 36 ALA N N 36 123.600 123.600 123.084 0.516 19872 2212 1 5 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.832 -0.602 19872 2213 1 5 . 1 1 36 36 ALA C C 36 178.100 178.100 176.698 1.402 19872 2214 1 5 . 1 1 36 36 ALA CA C 36 52.000 52.000 51.633 0.367 19872 2215 1 5 . 1 1 36 36 ALA CB C 36 18.700 18.700 21.183 -2.483 19872 2216 1 5 . 1 1 37 37 GLY N N 37 108.200 108.200 105.910 2.290 19872 2217 1 5 . 1 1 37 37 GLY C C 37 174.500 174.500 173.204 1.296 19872 2218 1 5 . 1 1 37 37 GLY CA C 37 44.800 44.800 44.961 -0.161 19872 2219 1 5 . 1 1 38 38 GLY N N 38 108.200 108.200 106.055 2.145 19872 2220 1 5 . 1 1 38 38 GLY C C 38 174.500 174.500 174.088 0.412 19872 2221 1 5 . 1 1 38 38 GLY CA C 38 44.700 44.700 45.200 -0.500 19872 2222 1 5 . 1 1 39 39 GLY N N 39 108.600 108.600 110.709 -2.109 19872 2223 1 5 . 1 1 39 39 GLY C C 39 174.100 174.100 174.540 -0.440 19872 2224 1 5 . 1 1 39 39 GLY CA C 39 44.800 44.800 44.927 -0.127 19872 2225 1 5 . 1 1 40 40 GLY N N 40 107.700 107.700 107.407 0.293 19872 2226 1 5 . 1 1 40 40 GLY C C 40 174.100 174.100 173.695 0.405 19872 2227 1 5 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.400 0.300 19872 2228 1 5 . 1 1 41 41 SER N N 41 115.700 115.700 113.974 1.726 19872 2229 1 5 . 1 1 41 41 SER HA H 41 4.220 4.220 4.103 0.117 19872 2230 1 5 . 1 1 41 41 SER C C 41 174.800 174.800 175.558 -0.758 19872 2231 1 5 . 1 1 41 41 SER CA C 41 58.400 58.400 58.670 -0.270 19872 2232 1 5 . 1 1 41 41 SER CB C 41 63.100 63.100 63.646 -0.546 19872 2233 1 5 . 1 1 42 42 ALA N N 42 124.700 124.700 124.438 0.262 19872 2234 1 5 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.166 -0.216 19872 2235 1 5 . 1 1 42 42 ALA C C 42 178.800 178.800 178.829 -0.029 19872 2236 1 5 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.227 -0.527 19872 2237 1 5 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.947 -1.246 19872 2238 1 5 . 1 1 43 43 GLU N N 43 116.700 116.700 117.087 -0.387 19872 2239 1 5 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.045 -0.095 19872 2240 1 5 . 1 1 43 43 GLU C C 43 178.800 178.800 178.695 0.105 19872 2241 1 5 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.406 0.094 19872 2242 1 5 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.859 -0.259 19872 2243 1 5 . 1 1 44 44 GLN N N 44 119.400 119.400 120.688 -1.288 19872 2244 1 5 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.017 -0.047 19872 2245 1 5 . 1 1 44 44 GLN C C 44 178.200 178.200 178.117 0.083 19872 2246 1 5 . 1 1 44 44 GLN CA C 44 57.600 57.600 58.078 -0.478 19872 2247 1 5 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.285 -0.185 19872 2248 1 5 . 1 1 45 45 LEU N N 45 121.700 121.700 119.909 1.791 19872 2249 1 5 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.695 -0.125 19872 2250 1 5 . 1 1 45 45 LEU C C 45 177.300 177.300 178.804 -1.504 19872 2251 1 5 . 1 1 45 45 LEU CA C 45 56.500 56.500 57.574 -1.074 19872 2252 1 5 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.060 -0.560 19872 2253 1 5 . 1 1 46 46 ASP N N 46 118.000 118.000 119.123 -1.123 19872 2254 1 5 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.408 -0.378 19872 2255 1 5 . 1 1 46 46 ASP C C 46 176.800 176.800 177.687 -0.887 19872 2256 1 5 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.640 -1.040 19872 2257 1 5 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.939 0.661 19872 2258 1 5 . 1 1 47 47 ALA N N 47 116.100 116.100 120.481 -4.381 19872 2259 1 5 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.322 -0.432 19872 2260 1 5 . 1 1 47 47 ALA C C 47 180.300 180.300 178.618 1.682 19872 2261 1 5 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.098 -0.098 19872 2262 1 5 . 1 1 47 47 ALA CB C 47 17.400 17.400 19.119 -1.719 19872 2263 1 5 . 1 1 48 48 LEU N N 48 117.800 117.800 118.050 -0.250 19872 2264 1 5 . 1 1 48 48 LEU HA H 48 3.840 3.840 4.324 -0.484 19872 2265 1 5 . 1 1 48 48 LEU C C 48 180.100 180.100 179.615 0.485 19872 2266 1 5 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.493 -0.093 19872 2267 1 5 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.656 -0.755 19872 2268 1 5 . 1 1 49 49 VAL N N 49 112.100 112.100 115.828 -3.728 19872 2269 1 5 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.898 -0.018 19872 2270 1 5 . 1 1 49 49 VAL C C 49 176.000 176.000 177.548 -1.548 19872 2271 1 5 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.474 -1.274 19872 2272 1 5 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.164 -0.164 19872 2273 1 5 . 1 1 50 50 LYS N N 50 115.400 115.400 119.248 -3.848 19872 2274 1 5 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.306 -0.146 19872 2275 1 5 . 1 1 50 50 LYS C C 50 177.900 177.900 177.424 0.476 19872 2276 1 5 . 1 1 50 50 LYS CA C 50 56.200 56.200 56.118 0.082 19872 2277 1 5 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.522 0.878 19872 2278 1 5 . 1 1 51 51 LYS N N 51 119.000 119.000 119.356 -0.356 19872 2279 1 5 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.196 -0.276 19872 2280 1 5 . 1 1 51 51 LYS C C 51 174.700 174.700 176.666 -1.966 19872 2281 1 5 . 1 1 51 51 LYS CA C 51 58.000 58.000 58.219 -0.220 19872 2282 1 5 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.734 -0.434 19872 2283 1 5 . 1 1 52 52 ASP N N 52 113.400 113.400 116.495 -3.095 19872 2284 1 5 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.898 0.092 19872 2285 1 5 . 1 1 52 52 ASP C C 52 174.400 174.400 175.363 -0.963 19872 2286 1 5 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.444 -0.644 19872 2287 1 5 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.501 2.099 19872 2288 1 5 . 1 1 53 53 LYS N N 53 119.500 119.500 119.603 -0.103 19872 2289 1 5 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.297 -0.287 19872 2290 1 5 . 1 1 53 53 LYS C C 53 176.100 176.100 176.084 0.016 19872 2291 1 5 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.952 1.848 19872 2292 1 5 . 1 1 53 53 LYS CB C 53 32.600 32.600 33.015 -0.415 19872 2293 1 5 . 1 1 54 54 VAL N N 54 117.700 117.700 117.769 -0.069 19872 2294 1 5 . 1 1 54 54 VAL HA H 54 4.620 4.620 5.080 -0.460 19872 2295 1 5 . 1 1 54 54 VAL C C 54 173.700 173.700 174.376 -0.676 19872 2296 1 5 . 1 1 54 54 VAL CA C 54 60.900 60.900 60.487 0.413 19872 2297 1 5 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.289 -1.989 19872 2298 1 5 . 1 1 55 55 VAL N N 55 127.100 127.100 123.684 3.416 19872 2299 1 5 . 1 1 55 55 VAL HA H 55 4.950 4.950 5.066 -0.116 19872 2300 1 5 . 1 1 55 55 VAL C C 55 174.400 174.400 174.458 -0.058 19872 2301 1 5 . 1 1 55 55 VAL CA C 55 60.600 60.600 60.057 0.543 19872 2302 1 5 . 1 1 55 55 VAL CB C 55 35.200 35.200 33.926 1.274 19872 2303 1 5 . 1 1 56 56 VAL N N 56 119.700 119.700 125.614 -5.914 19872 2304 1 5 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.040 0.400 19872 2305 1 5 . 1 1 56 56 VAL C C 56 173.400 173.400 174.380 -0.980 19872 2306 1 5 . 1 1 56 56 VAL CA C 56 58.000 58.000 60.671 -2.671 19872 2307 1 5 . 1 1 56 56 VAL CB C 56 34.800 34.800 35.275 -0.475 19872 2308 1 5 . 1 1 57 57 PHE N N 57 122.400 122.400 123.521 -1.121 19872 2309 1 5 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.064 0.146 19872 2310 1 5 . 1 1 57 57 PHE C C 57 174.800 174.800 174.140 0.660 19872 2311 1 5 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.358 -0.958 19872 2312 1 5 . 1 1 57 57 PHE CB C 57 40.700 40.700 40.779 -0.079 19872 2313 1 5 . 1 1 58 58 LEU N N 58 120.500 120.500 119.935 0.565 19872 2314 1 5 . 1 1 58 58 LEU HA H 58 4.700 4.700 5.004 -0.304 19872 2315 1 5 . 1 1 58 58 LEU C C 58 175.500 175.500 175.271 0.229 19872 2316 1 5 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.905 -0.905 19872 2317 1 5 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.177 -0.077 19872 2318 1 5 . 1 1 59 59 LYS N N 59 117.800 117.800 120.163 -2.363 19872 2319 1 5 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.472 -0.122 19872 2320 1 5 . 1 1 59 59 LYS C C 59 175.200 175.200 175.642 -0.442 19872 2321 1 5 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.046 0.054 19872 2322 1 5 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.599 0.702 19872 2323 1 5 . 1 1 60 60 GLY N N 60 114.800 114.800 110.282 4.518 19872 2324 1 5 . 1 1 60 60 GLY C C 60 170.300 170.300 172.796 -2.496 19872 2325 1 5 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.654 -1.754 19872 2326 1 5 . 1 1 61 61 THR N N 61 107.800 107.800 110.878 -3.078 19872 2327 1 5 . 1 1 61 61 THR HA H 61 4.740 4.740 4.822 -0.082 19872 2328 1 5 . 1 1 61 61 THR C C 61 173.100 173.100 173.511 -0.411 19872 2329 1 5 . 1 1 61 61 THR CA C 61 57.400 57.400 60.450 -3.050 19872 2330 1 5 . 1 1 61 61 THR CB C 61 68.800 68.800 69.920 -1.120 19872 2331 1 5 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.370 -0.400 19872 2332 1 5 . 1 1 62 62 PRO C C 62 177.200 177.200 176.986 0.214 19872 2333 1 5 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.677 0.223 19872 2334 1 5 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.193 -1.093 19872 2335 1 5 . 1 1 63 63 GLU N N 63 111.900 111.900 116.128 -4.228 19872 2336 1 5 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.323 -0.383 19872 2337 1 5 . 1 1 63 63 GLU C C 63 176.500 176.500 176.671 -0.171 19872 2338 1 5 . 1 1 63 63 GLU CA C 63 58.100 58.100 56.607 1.493 19872 2339 1 5 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.189 0.011 19872 2340 1 5 . 1 1 64 64 GLN N N 64 117.700 117.700 120.395 -2.695 19872 2341 1 5 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.786 -0.306 19872 2342 1 5 . 1 1 64 64 GLN C C 64 171.500 171.500 173.953 -2.453 19872 2343 1 5 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.514 -0.114 19872 2344 1 5 . 1 1 64 64 GLN CB C 64 29.100 29.100 30.452 -1.352 19872 2345 1 5 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.580 -0.030 19872 2346 1 5 . 1 1 65 65 PRO C C 65 177.900 177.900 176.623 1.277 19872 2347 1 5 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.760 0.240 19872 2348 1 5 . 1 1 65 65 PRO CB C 65 31.700 31.700 30.515 1.185 19872 2349 1 5 . 1 1 66 66 GLN N N 66 119.700 119.700 119.669 0.031 19872 2350 1 5 . 1 1 66 66 GLN HA H 66 4.500 4.500 3.885 0.615 19872 2351 1 5 . 1 1 66 66 GLN C C 66 174.400 174.400 175.967 -1.567 19872 2352 1 5 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.865 -3.265 19872 2353 1 5 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.477 0.623 19872 2354 1 5 . 1 1 67 67 CYS N N 67 116.700 116.700 114.595 2.105 19872 2355 1 5 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.494 0.206 19872 2356 1 5 . 1 1 67 67 CYS C C 67 176.500 176.500 174.202 2.298 19872 2357 1 5 . 1 1 67 67 CYS CA C 67 58.700 58.700 56.755 1.945 19872 2358 1 5 . 1 1 67 67 CYS CB C 67 32.800 32.800 29.159 3.641 19872 2359 1 5 . 1 1 68 68 GLY C C 68 176.500 176.500 173.960 2.540 19872 2360 1 5 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.457 0.443 19872 2361 1 5 . 1 1 69 69 PHE N N 69 125.800 125.800 115.196 10.604 19872 2362 1 5 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.118 0.592 19872 2363 1 5 . 1 1 69 69 PHE C C 69 178.300 178.300 175.038 3.262 19872 2364 1 5 . 1 1 69 69 PHE CA C 69 59.900 59.900 57.562 2.338 19872 2365 1 5 . 1 1 69 69 PHE CB C 69 37.900 37.900 36.543 1.357 19872 2366 1 5 . 1 1 70 70 SER N N 70 124.200 124.200 116.415 7.785 19872 2367 1 5 . 1 1 70 70 SER HA H 70 3.980 3.980 4.246 -0.266 19872 2368 1 5 . 1 1 70 70 SER CA C 70 63.800 63.800 61.069 2.732 19872 2369 1 5 . 1 1 70 70 SER CB C 70 62.000 62.000 62.925 -0.924 19872 2370 1 5 . 1 1 71 71 ASN N N 71 118.500 118.500 120.547 -2.047 19872 2371 1 5 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.518 -0.368 19872 2372 1 5 . 1 1 71 71 ASN C C 71 175.800 175.800 176.349 -0.549 19872 2373 1 5 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.540 0.860 19872 2374 1 5 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.471 0.328 19872 2375 1 5 . 1 1 72 72 ALA N N 72 119.900 119.900 122.753 -2.853 19872 2376 1 5 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.099 -0.119 19872 2377 1 5 . 1 1 72 72 ALA C C 72 179.700 179.700 179.505 0.195 19872 2378 1 5 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.963 -0.163 19872 2379 1 5 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.210 -0.510 19872 2380 1 5 . 1 1 73 73 VAL N N 73 115.700 115.700 115.218 0.482 19872 2381 1 5 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.673 -0.333 19872 2382 1 5 . 1 1 73 73 VAL C C 73 176.300 176.300 177.588 -1.288 19872 2383 1 5 . 1 1 73 73 VAL CA C 73 66.200 66.200 66.238 -0.038 19872 2384 1 5 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.466 -0.366 19872 2385 1 5 . 1 1 74 74 VAL N N 74 118.100 118.100 120.660 -2.560 19872 2386 1 5 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.607 -0.277 19872 2387 1 5 . 1 1 74 74 VAL C C 74 178.800 178.800 178.003 0.797 19872 2388 1 5 . 1 1 74 74 VAL CA C 74 66.100 66.100 66.468 -0.368 19872 2389 1 5 . 1 1 74 74 VAL CB C 74 31.100 31.100 31.399 -0.299 19872 2390 1 5 . 1 1 75 75 GLN N N 75 119.000 119.000 119.920 -0.920 19872 2391 1 5 . 1 1 75 75 GLN HA H 75 3.910 3.910 3.993 -0.083 19872 2392 1 5 . 1 1 75 75 GLN C C 75 178.500 178.500 178.716 -0.216 19872 2393 1 5 . 1 1 75 75 GLN CA C 75 57.900 57.900 58.939 -1.039 19872 2394 1 5 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.300 -1.200 19872 2395 1 5 . 1 1 76 76 ILE N N 76 120.600 120.600 120.415 0.185 19872 2396 1 5 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.422 -0.102 19872 2397 1 5 . 1 1 76 76 ILE C C 76 177.600 177.600 178.512 -0.912 19872 2398 1 5 . 1 1 76 76 ILE CA C 76 64.700 64.700 65.393 -0.693 19872 2399 1 5 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.596 -0.696 19872 2400 1 5 . 1 1 77 77 LEU N N 77 117.800 117.800 120.003 -2.203 19872 2401 1 5 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.973 -0.243 19872 2402 1 5 . 1 1 77 77 LEU C C 77 178.400 178.400 179.134 -0.734 19872 2403 1 5 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.592 -0.492 19872 2404 1 5 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.547 -2.147 19872 2405 1 5 . 1 1 78 78 ARG N N 78 118.800 118.800 119.533 -0.733 19872 2406 1 5 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.288 -0.208 19872 2407 1 5 . 1 1 78 78 ARG C C 78 180.800 180.800 179.476 1.324 19872 2408 1 5 . 1 1 78 78 ARG CA C 78 58.900 58.900 58.950 -0.050 19872 2409 1 5 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.812 -0.512 19872 2410 1 5 . 1 1 79 79 LEU N N 79 123.200 123.200 121.390 1.810 19872 2411 1 5 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.063 -0.173 19872 2412 1 5 . 1 1 79 79 LEU C C 79 178.200 178.200 178.361 -0.161 19872 2413 1 5 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.376 0.124 19872 2414 1 5 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.918 -0.418 19872 2415 1 5 . 1 1 80 80 HIS N N 80 112.200 112.200 114.056 -1.856 19872 2416 1 5 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.571 -0.471 19872 2417 1 5 . 1 1 80 80 HIS C C 80 176.000 176.000 176.561 -0.561 19872 2418 1 5 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.507 0.493 19872 2419 1 5 . 1 1 80 80 HIS CB C 80 31.700 31.700 30.146 1.554 19872 2420 1 5 . 1 1 81 81 GLY N N 81 111.700 111.700 107.624 4.076 19872 2421 1 5 . 1 1 81 81 GLY C C 81 174.000 174.000 174.055 -0.055 19872 2422 1 5 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.432 0.168 19872 2423 1 5 . 1 1 82 82 VAL N N 82 120.400 120.400 122.282 -1.882 19872 2424 1 5 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.601 -0.791 19872 2425 1 5 . 1 1 82 82 VAL C C 82 174.800 174.800 175.551 -0.751 19872 2426 1 5 . 1 1 82 82 VAL CA C 82 62.200 62.200 61.156 1.044 19872 2427 1 5 . 1 1 82 82 VAL CB C 82 29.700 29.700 32.312 -2.612 19872 2428 1 5 . 1 1 83 83 ARG N N 83 126.600 126.600 124.224 2.376 19872 2429 1 5 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.394 -0.034 19872 2430 1 5 . 1 1 83 83 ARG C C 83 176.000 176.000 175.982 0.018 19872 2431 1 5 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.456 0.144 19872 2432 1 5 . 1 1 83 83 ARG CB C 83 31.100 31.100 30.489 0.611 19872 2433 1 5 . 1 1 84 84 ASP N N 84 118.400 118.400 118.656 -0.256 19872 2434 1 5 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.422 0.128 19872 2435 1 5 . 1 1 84 84 ASP C C 84 174.200 174.200 175.558 -1.358 19872 2436 1 5 . 1 1 84 84 ASP CA C 84 53.000 53.000 54.867 -1.867 19872 2437 1 5 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.374 -0.374 19872 2438 1 5 . 1 1 85 85 TYR N N 85 116.200 116.200 115.659 0.541 19872 2439 1 5 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.931 -0.181 19872 2440 1 5 . 1 1 85 85 TYR C C 85 173.100 173.100 175.707 -2.607 19872 2441 1 5 . 1 1 85 85 TYR CA C 85 55.000 55.000 55.846 -0.846 19872 2442 1 5 . 1 1 85 85 TYR CB C 85 39.200 39.200 39.086 0.114 19872 2443 1 5 . 1 1 86 86 ALA N N 86 125.000 125.000 123.416 1.584 19872 2444 1 5 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.612 -0.392 19872 2445 1 5 . 1 1 86 86 ALA C C 86 174.300 174.300 175.893 -1.593 19872 2446 1 5 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.433 0.367 19872 2447 1 5 . 1 1 86 86 ALA CB C 86 20.400 20.400 20.173 0.227 19872 2448 1 5 . 1 1 87 87 ALA N N 87 124.400 124.400 129.492 -5.092 19872 2449 1 5 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.422 0.748 19872 2450 1 5 . 1 1 87 87 ALA C C 87 175.400 175.400 176.345 -0.945 19872 2451 1 5 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.979 -2.079 19872 2452 1 5 . 1 1 87 87 ALA CB C 87 21.400 21.400 18.495 2.905 19872 2453 1 5 . 1 1 88 88 TYR N N 88 121.100 121.100 125.050 -3.950 19872 2454 1 5 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.205 0.285 19872 2455 1 5 . 1 1 88 88 TYR C C 88 174.100 174.100 175.182 -1.082 19872 2456 1 5 . 1 1 88 88 TYR CA C 88 56.900 56.900 59.088 -2.188 19872 2457 1 5 . 1 1 88 88 TYR CB C 88 40.200 40.200 38.454 1.746 19872 2458 1 5 . 1 1 89 89 ASN N N 89 122.300 122.300 124.097 -1.797 19872 2459 1 5 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.192 -0.002 19872 2460 1 5 . 1 1 89 89 ASN C C 89 178.000 178.000 176.455 1.545 19872 2461 1 5 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.770 -1.970 19872 2462 1 5 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.772 -0.772 19872 2463 1 5 . 1 1 90 90 VAL N N 90 117.900 117.900 119.510 -1.610 19872 2464 1 5 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.023 0.157 19872 2465 1 5 . 1 1 90 90 VAL C C 90 176.700 176.700 175.884 0.816 19872 2466 1 5 . 1 1 90 90 VAL CA C 90 62.200 62.200 63.672 -1.472 19872 2467 1 5 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.574 -1.074 19872 2468 1 5 . 1 1 91 91 LEU N N 91 118.900 118.900 119.941 -1.041 19872 2469 1 5 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.054 0.006 19872 2470 1 5 . 1 1 91 91 LEU C C 91 177.500 177.500 178.658 -1.158 19872 2471 1 5 . 1 1 91 91 LEU CA C 91 56.000 56.000 57.028 -1.028 19872 2472 1 5 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.630 -1.230 19872 2473 1 5 . 1 1 92 92 ASP N N 92 115.500 115.500 118.478 -2.978 19872 2474 1 5 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.614 0.056 19872 2475 1 5 . 1 1 92 92 ASP C C 92 175.500 175.500 175.754 -0.254 19872 2476 1 5 . 1 1 92 92 ASP CA C 92 54.100 54.100 55.881 -1.781 19872 2477 1 5 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.616 -0.616 19872 2478 1 5 . 1 1 93 93 ASP N N 93 115.000 115.000 117.434 -2.434 19872 2479 1 5 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.094 -0.064 19872 2480 1 5 . 1 1 93 93 ASP C C 93 172.800 172.800 174.656 -1.856 19872 2481 1 5 . 1 1 93 93 ASP CA C 93 50.500 50.500 52.406 -1.906 19872 2482 1 5 . 1 1 93 93 ASP CB C 93 41.900 41.900 43.761 -1.861 19872 2483 1 5 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.472 -0.202 19872 2484 1 5 . 1 1 94 94 PRO C C 94 179.300 179.300 178.460 0.840 19872 2485 1 5 . 1 1 94 94 PRO CA C 94 64.100 64.100 64.729 -0.629 19872 2486 1 5 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.537 -0.737 19872 2487 1 5 . 1 1 95 95 GLU N N 95 118.600 118.600 119.755 -1.155 19872 2488 1 5 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.083 -0.043 19872 2489 1 5 . 1 1 95 95 GLU C C 95 179.500 179.500 178.983 0.517 19872 2490 1 5 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.484 -0.884 19872 2491 1 5 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.951 -0.351 19872 2492 1 5 . 1 1 96 96 LEU N N 96 123.800 123.800 120.689 3.111 19872 2493 1 5 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.120 -0.230 19872 2494 1 5 . 1 1 96 96 LEU C C 96 177.200 177.200 178.391 -1.191 19872 2495 1 5 . 1 1 96 96 LEU CA C 96 57.100 57.100 56.961 0.140 19872 2496 1 5 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.868 -0.568 19872 2497 1 5 . 1 1 97 97 ARG N N 97 117.900 117.900 119.691 -1.791 19872 2498 1 5 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.852 -0.312 19872 2499 1 5 . 1 1 97 97 ARG C C 97 176.400 176.400 178.194 -1.794 19872 2500 1 5 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.083 -0.183 19872 2501 1 5 . 1 1 97 97 ARG CB C 97 30.400 30.400 29.919 0.481 19872 2502 1 5 . 1 1 98 98 GLN N N 98 114.400 114.400 118.246 -3.846 19872 2503 1 5 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.091 -0.271 19872 2504 1 5 . 1 1 98 98 GLN C C 98 177.500 177.500 178.412 -0.912 19872 2505 1 5 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.681 -1.780 19872 2506 1 5 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.554 -0.554 19872 2507 1 5 . 1 1 99 99 GLY N N 99 107.700 107.700 108.071 -0.371 19872 2508 1 5 . 1 1 99 99 GLY C C 99 176.700 176.700 176.094 0.606 19872 2509 1 5 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.305 -0.805 19872 2510 1 5 . 1 1 100 100 ILE N N 100 120.900 120.900 122.114 -1.214 19872 2511 1 5 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.901 0.079 19872 2512 1 5 . 1 1 100 100 ILE C C 100 176.800 176.800 177.340 -0.540 19872 2513 1 5 . 1 1 100 100 ILE CA C 100 60.500 60.500 61.412 -0.912 19872 2514 1 5 . 1 1 100 100 ILE CB C 100 37.500 37.500 38.105 -0.605 19872 2515 1 5 . 1 1 101 101 LYS N N 101 124.600 124.600 120.773 3.827 19872 2516 1 5 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.295 -0.215 19872 2517 1 5 . 1 1 101 101 LYS C C 101 178.900 178.900 178.636 0.264 19872 2518 1 5 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.675 -0.974 19872 2519 1 5 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.183 -0.383 19872 2520 1 5 . 1 1 102 102 ASP N N 102 118.700 118.700 119.235 -0.535 19872 2521 1 5 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.504 -0.254 19872 2522 1 5 . 1 1 102 102 ASP C C 102 177.700 177.700 178.814 -1.114 19872 2523 1 5 . 1 1 102 102 ASP CA C 102 56.200 56.200 57.008 -0.808 19872 2524 1 5 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.044 -1.343 19872 2525 1 5 . 1 1 103 103 TYR N N 103 120.300 120.300 120.903 -0.603 19872 2526 1 5 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.245 -0.185 19872 2527 1 5 . 1 1 103 103 TYR C C 103 176.600 176.600 177.173 -0.573 19872 2528 1 5 . 1 1 103 103 TYR CA C 103 60.500 60.500 61.017 -0.517 19872 2529 1 5 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.853 1.047 19872 2530 1 5 . 1 1 104 104 SER N N 104 110.900 110.900 114.384 -3.484 19872 2531 1 5 . 1 1 104 104 SER HA H 104 3.900 3.900 4.317 -0.417 19872 2532 1 5 . 1 1 104 104 SER C C 104 174.600 174.600 174.414 0.186 19872 2533 1 5 . 1 1 104 104 SER CA C 104 57.700 57.700 58.633 -0.933 19872 2534 1 5 . 1 1 104 104 SER CB C 104 63.900 63.900 63.763 0.137 19872 2535 1 5 . 1 1 105 105 ASN N N 105 117.900 117.900 116.341 1.559 19872 2536 1 5 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.472 -0.272 19872 2537 1 5 . 1 1 105 105 ASN C C 105 173.200 173.200 174.217 -1.017 19872 2538 1 5 . 1 1 105 105 ASN CA C 105 53.800 53.800 55.055 -1.255 19872 2539 1 5 . 1 1 105 105 ASN CB C 105 37.200 37.200 37.764 -0.564 19872 2540 1 5 . 1 1 106 106 TRP N N 106 120.600 120.600 119.711 0.889 19872 2541 1 5 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.018 0.062 19872 2542 1 5 . 1 1 106 106 TRP C C 106 175.400 175.400 175.757 -0.357 19872 2543 1 5 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.640 -2.140 19872 2544 1 5 . 1 1 106 106 TRP CB C 106 31.000 31.000 30.087 0.913 19872 2545 1 5 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.376 -0.206 19872 2546 1 5 . 1 1 107 107 PRO C C 107 175.900 175.900 177.030 -1.130 19872 2547 1 5 . 1 1 107 107 PRO CA C 107 63.700 63.700 65.633 -1.933 19872 2548 1 5 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.176 -0.576 19872 2549 1 5 . 1 1 108 108 THR N N 108 110.500 110.500 108.042 2.458 19872 2550 1 5 . 1 1 108 108 THR HA H 108 4.300 4.300 4.404 -0.104 19872 2551 1 5 . 1 1 108 108 THR C C 108 171.400 171.400 173.226 -1.826 19872 2552 1 5 . 1 1 108 108 THR CA C 108 60.400 60.400 61.548 -1.148 19872 2553 1 5 . 1 1 108 108 THR CB C 108 70.400 70.400 69.570 0.830 19872 2554 1 5 . 1 1 109 109 ILE N N 109 123.100 123.100 123.859 -0.759 19872 2555 1 5 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.433 -0.173 19872 2556 1 5 . 1 1 109 109 ILE C C 109 175.000 175.000 174.755 0.245 19872 2557 1 5 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.198 -1.298 19872 2558 1 5 . 1 1 109 109 ILE CB C 109 40.100 40.100 37.730 2.370 19872 2559 1 5 . 1 1 110 110 PRO HA H 110 5.340 5.340 4.930 0.410 19872 2560 1 5 . 1 1 110 110 PRO C C 110 175.600 175.600 175.816 -0.216 19872 2561 1 5 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.828 -1.328 19872 2562 1 5 . 1 1 110 110 PRO CB C 110 37.500 37.500 32.621 4.879 19872 2563 1 5 . 1 1 111 111 GLN N N 111 114.700 114.700 120.869 -6.169 19872 2564 1 5 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.431 -0.501 19872 2565 1 5 . 1 1 111 111 GLN C C 111 174.100 174.100 174.655 -0.555 19872 2566 1 5 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.786 0.614 19872 2567 1 5 . 1 1 111 111 GLN CB C 111 33.900 33.900 33.297 0.603 19872 2568 1 5 . 1 1 112 112 VAL N N 112 121.000 121.000 120.030 0.970 19872 2569 1 5 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.105 -0.325 19872 2570 1 5 . 1 1 112 112 VAL C C 112 172.300 172.300 173.673 -1.373 19872 2571 1 5 . 1 1 112 112 VAL CA C 112 61.200 61.200 60.491 0.709 19872 2572 1 5 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.476 -1.976 19872 2573 1 5 . 1 1 113 113 TYR N N 113 128.400 128.400 127.410 0.990 19872 2574 1 5 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.144 -0.174 19872 2575 1 5 . 1 1 113 113 TYR C C 113 173.800 173.800 174.794 -0.994 19872 2576 1 5 . 1 1 113 113 TYR CA C 113 56.700 56.700 57.336 -0.636 19872 2577 1 5 . 1 1 113 113 TYR CB C 113 41.000 41.000 39.930 1.070 19872 2578 1 5 . 1 1 114 114 LEU N N 114 117.900 117.900 124.064 -6.164 19872 2579 1 5 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.164 0.166 19872 2580 1 5 . 1 1 114 114 LEU C C 114 178.300 178.300 177.558 0.742 19872 2581 1 5 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.740 -1.641 19872 2582 1 5 . 1 1 114 114 LEU CB C 114 43.300 43.300 44.055 -0.755 19872 2583 1 5 . 1 1 115 115 ASN N N 115 125.000 125.000 122.919 2.081 19872 2584 1 5 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.438 0.062 19872 2585 1 5 . 1 1 115 115 ASN C C 115 175.500 175.500 175.438 0.062 19872 2586 1 5 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.218 -1.518 19872 2587 1 5 . 1 1 115 115 ASN CB C 115 38.700 38.700 37.965 0.735 19872 2588 1 5 . 1 1 116 116 GLY N N 116 105.000 105.000 103.420 1.580 19872 2589 1 5 . 1 1 116 116 GLY C C 116 172.900 172.900 173.579 -0.679 19872 2590 1 5 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.906 -0.806 19872 2591 1 5 . 1 1 117 117 GLU N N 117 118.900 118.900 119.169 -0.269 19872 2592 1 5 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.961 -0.211 19872 2593 1 5 . 1 1 117 117 GLU C C 117 174.700 174.700 174.420 0.280 19872 2594 1 5 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.163 -0.163 19872 2595 1 5 . 1 1 117 117 GLU CB C 117 31.600 31.600 33.034 -1.434 19872 2596 1 5 . 1 1 118 118 PHE N N 118 124.400 124.400 123.976 0.424 19872 2597 1 5 . 1 1 118 118 PHE HA H 118 3.190 3.190 3.609 -0.419 19872 2598 1 5 . 1 1 118 118 PHE C C 118 175.500 175.500 174.992 0.508 19872 2599 1 5 . 1 1 118 118 PHE CA C 118 57.500 57.500 57.409 0.091 19872 2600 1 5 . 1 1 118 118 PHE CB C 118 38.100 38.100 38.829 -0.729 19872 2601 1 5 . 1 1 119 119 VAL N N 119 126.900 126.900 124.797 2.103 19872 2602 1 5 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.099 -0.389 19872 2603 1 5 . 1 1 119 119 VAL C C 119 174.200 174.200 174.483 -0.283 19872 2604 1 5 . 1 1 119 119 VAL CA C 119 61.900 61.900 62.173 -0.273 19872 2605 1 5 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.043 -1.643 19872 2606 1 5 . 1 1 120 120 GLY N N 120 101.400 101.400 106.341 -4.941 19872 2607 1 5 . 1 1 120 120 GLY CA C 120 44.100 44.100 45.352 -1.252 19872 2608 1 5 . 1 1 121 121 GLY N N 121 106.300 106.300 107.279 -0.979 19872 2609 1 5 . 1 1 121 121 GLY C C 121 173.100 173.100 174.693 -1.593 19872 2610 1 5 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.093 0.107 19872 2611 1 5 . 1 1 122 122 CYS N N 122 119.400 119.400 120.254 -0.854 19872 2612 1 5 . 1 1 122 122 CYS HA H 122 3.660 3.660 3.955 -0.295 19872 2613 1 5 . 1 1 122 122 CYS C C 122 174.800 174.800 175.730 -0.930 19872 2614 1 5 . 1 1 122 122 CYS CA C 122 61.800 61.800 63.035 -1.235 19872 2615 1 5 . 1 1 122 122 CYS CB C 122 26.600 26.600 27.652 -1.052 19872 2616 1 5 . 1 1 123 123 ASP N N 123 117.700 117.700 118.618 -0.918 19872 2617 1 5 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.247 -0.007 19872 2618 1 5 . 1 1 123 123 ASP C C 123 179.100 179.100 177.171 1.929 19872 2619 1 5 . 1 1 123 123 ASP CA C 123 57.700 57.700 56.559 1.141 19872 2620 1 5 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.450 -1.250 19872 2621 1 5 . 1 1 124 124 ILE N N 124 120.700 120.700 119.150 1.550 19872 2622 1 5 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.881 -0.161 19872 2623 1 5 . 1 1 124 124 ILE C C 124 177.200 177.200 177.803 -0.603 19872 2624 1 5 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.520 0.580 19872 2625 1 5 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.710 -0.710 19872 2626 1 5 . 1 1 125 125 LEU N N 125 122.000 122.000 122.430 -0.430 19872 2627 1 5 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.962 -0.132 19872 2628 1 5 . 1 1 125 125 LEU C C 125 178.800 178.800 178.491 0.309 19872 2629 1 5 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.437 -1.037 19872 2630 1 5 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.747 -0.947 19872 2631 1 5 . 1 1 126 126 LEU N N 126 118.200 118.200 116.422 1.778 19872 2632 1 5 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.106 -0.146 19872 2633 1 5 . 1 1 126 126 LEU C C 126 179.100 179.100 178.356 0.744 19872 2634 1 5 . 1 1 126 126 LEU CA C 126 57.800 57.800 57.016 0.784 19872 2635 1 5 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.830 -0.030 19872 2636 1 5 . 1 1 127 127 GLN N N 127 119.900 119.900 117.954 1.946 19872 2637 1 5 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.221 -0.251 19872 2638 1 5 . 1 1 127 127 GLN C C 127 178.200 178.200 178.269 -0.069 19872 2639 1 5 . 1 1 127 127 GLN CA C 127 59.000 59.000 57.881 1.119 19872 2640 1 5 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.826 -0.926 19872 2641 1 5 . 1 1 128 128 MET N N 128 117.500 117.500 118.778 -1.278 19872 2642 1 5 . 1 1 128 128 MET HA H 128 4.360 4.360 4.088 0.272 19872 2643 1 5 . 1 1 128 128 MET C C 128 179.600 179.600 178.726 0.874 19872 2644 1 5 . 1 1 128 128 MET CA C 128 57.800 57.800 59.136 -1.336 19872 2645 1 5 . 1 1 128 128 MET CB C 128 33.500 33.500 32.466 1.034 19872 2646 1 5 . 1 1 129 129 HIS N N 129 122.300 122.300 119.760 2.540 19872 2647 1 5 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.370 -0.020 19872 2648 1 5 . 1 1 129 129 HIS C C 129 177.000 177.000 177.557 -0.557 19872 2649 1 5 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.072 -0.872 19872 2650 1 5 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.788 1.312 19872 2651 1 5 . 1 1 130 130 GLN N N 130 116.700 116.700 116.932 -0.232 19872 2652 1 5 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.095 -0.335 19872 2653 1 5 . 1 1 130 130 GLN C C 130 177.600 177.600 177.633 -0.033 19872 2654 1 5 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.111 0.689 19872 2655 1 5 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.089 -0.789 19872 2656 1 5 . 1 1 131 131 ASN N N 131 114.200 114.200 118.025 -3.825 19872 2657 1 5 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.649 -0.029 19872 2658 1 5 . 1 1 131 131 ASN C C 131 176.600 176.600 176.228 0.372 19872 2659 1 5 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.450 -1.150 19872 2660 1 5 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.396 -1.396 19872 2661 1 5 . 1 1 132 132 GLY N N 132 106.600 106.600 106.372 0.228 19872 2662 1 5 . 1 1 132 132 GLY C C 132 175.300 175.300 175.285 0.015 19872 2663 1 5 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.105 0.095 19872 2664 1 5 . 1 1 133 133 ASP N N 133 122.900 122.900 121.862 1.038 19872 2665 1 5 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.594 -0.224 19872 2666 1 5 . 1 1 133 133 ASP C C 133 178.700 178.700 177.541 1.159 19872 2667 1 5 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.249 0.451 19872 2668 1 5 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.887 -0.887 19872 2669 1 5 . 1 1 134 134 LEU N N 134 118.900 118.900 118.761 0.139 19872 2670 1 5 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.116 -0.336 19872 2671 1 5 . 1 1 134 134 LEU C C 134 177.300 177.300 177.688 -0.388 19872 2672 1 5 . 1 1 134 134 LEU CA C 134 57.300 57.300 56.851 0.449 19872 2673 1 5 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.735 -1.735 19872 2674 1 5 . 1 1 135 135 VAL N N 135 116.600 116.600 119.067 -2.467 19872 2675 1 5 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.676 -0.276 19872 2676 1 5 . 1 1 135 135 VAL C C 135 178.300 178.300 178.078 0.222 19872 2677 1 5 . 1 1 135 135 VAL CA C 135 66.800 66.800 65.494 1.306 19872 2678 1 5 . 1 1 135 135 VAL CB C 135 31.200 31.200 30.653 0.547 19872 2679 1 5 . 1 1 136 136 GLU N N 136 118.600 118.600 120.159 -1.559 19872 2680 1 5 . 1 1 136 136 GLU HA H 136 4.020 4.020 3.976 0.044 19872 2681 1 5 . 1 1 136 136 GLU C C 136 178.800 178.800 179.136 -0.336 19872 2682 1 5 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.765 -1.765 19872 2683 1 5 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.916 -0.416 19872 2684 1 5 . 1 1 137 137 GLU N N 137 119.500 119.500 119.452 0.048 19872 2685 1 5 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.072 -0.182 19872 2686 1 5 . 1 1 137 137 GLU C C 137 179.500 179.500 179.431 0.069 19872 2687 1 5 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.757 -0.757 19872 2688 1 5 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.299 -0.699 19872 2689 1 5 . 1 1 138 138 LEU N N 138 117.400 117.400 120.110 -2.710 19872 2690 1 5 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.980 -0.090 19872 2691 1 5 . 1 1 138 138 LEU C C 138 179.200 179.200 178.930 0.270 19872 2692 1 5 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.706 -0.207 19872 2693 1 5 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.763 -2.463 19872 2694 1 5 . 1 1 139 139 LYS N N 139 121.100 121.100 119.535 1.565 19872 2695 1 5 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.039 -0.189 19872 2696 1 5 . 1 1 139 139 LYS C C 139 180.900 180.900 179.835 1.065 19872 2697 1 5 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.412 0.188 19872 2698 1 5 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.155 -0.355 19872 2699 1 5 . 1 1 140 140 LYS N N 140 119.800 119.800 120.165 -0.365 19872 2700 1 5 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.051 -0.111 19872 2701 1 5 . 1 1 140 140 LYS C C 140 177.600 177.600 177.901 -0.301 19872 2702 1 5 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.946 -0.246 19872 2703 1 5 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.270 -0.371 19872 2704 1 5 . 1 1 141 141 LEU N N 141 116.600 116.600 118.407 -1.807 19872 2705 1 5 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.358 -0.038 19872 2706 1 5 . 1 1 141 141 LEU C C 141 176.400 176.400 177.694 -1.294 19872 2707 1 5 . 1 1 141 141 LEU CA C 141 53.600 53.600 55.195 -1.595 19872 2708 1 5 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.821 0.179 19872 2709 1 5 . 1 1 142 142 GLY N N 142 107.200 107.200 107.480 -0.280 19872 2710 1 5 . 1 1 142 142 GLY C C 142 173.900 173.900 174.641 -0.741 19872 2711 1 5 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.485 -0.485 19872 2712 1 5 . 1 1 143 143 ILE N N 143 121.600 121.600 120.962 0.638 19872 2713 1 5 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.061 -0.041 19872 2714 1 5 . 1 1 143 143 ILE C C 143 173.900 173.900 175.783 -1.883 19872 2715 1 5 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.224 -1.224 19872 2716 1 5 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.771 -0.071 19872 2717 1 5 . 1 1 144 144 HIS N N 144 128.000 128.000 126.757 1.243 19872 2718 1 5 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.545 -0.205 19872 2719 1 5 . 1 1 144 144 HIS C C 144 173.800 173.800 174.637 -0.837 19872 2720 1 5 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.980 -1.680 19872 2721 1 5 . 1 1 144 144 HIS CB C 144 28.600 28.600 30.158 -1.558 19872 2722 1 5 . 1 1 145 145 SER N N 145 121.400 121.400 123.572 -2.172 19872 2723 1 5 . 1 1 145 145 SER HA H 145 4.470 4.470 4.648 -0.178 19872 2724 1 5 . 1 1 145 145 SER CA C 145 57.800 57.800 58.164 -0.364 19872 2725 1 5 . 1 1 145 145 SER CB C 145 62.200 62.200 63.876 -1.676 19872 2726 1 5 . 1 1 146 146 ALA N N 146 130.100 130.100 131.126 -1.026 19872 2727 1 5 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.341 -0.161 19872 2728 1 5 . 1 1 146 146 ALA C C 146 178.100 178.100 179.010 -0.910 19872 2729 1 5 . 1 1 146 146 ALA CA C 146 52.900 52.900 54.423 -1.523 19872 2730 1 5 . 1 1 146 146 ALA CB C 146 17.700 17.700 18.902 -1.202 19872 2731 1 5 . 1 1 147 147 LEU N N 147 117.800 117.800 117.875 -0.075 19872 2732 1 5 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.113 -0.053 19872 2733 1 5 . 1 1 147 147 LEU C C 147 177.700 177.700 178.396 -0.696 19872 2734 1 5 . 1 1 147 147 LEU CA C 147 55.100 55.100 55.330 -0.230 19872 2735 1 5 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.225 -0.825 19872 2736 1 5 . 1 1 148 148 LEU N N 148 120.100 120.100 120.369 -0.269 19872 2737 1 5 . 1 1 148 148 LEU HA H 148 4.180 4.180 3.992 0.188 19872 2738 1 5 . 1 1 148 148 LEU C C 148 176.500 176.500 178.032 -1.532 19872 2739 1 5 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.629 -2.929 19872 2740 1 5 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.902 0.098 19872 2741 1 5 . 1 1 149 149 ASP N N 149 121.900 121.900 118.558 3.342 19872 2742 1 5 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.526 0.074 19872 2743 1 5 . 1 1 149 149 ASP C C 149 174.800 174.800 176.357 -1.557 19872 2744 1 5 . 1 1 149 149 ASP CA C 149 53.900 53.900 54.503 -0.603 19872 2745 1 5 . 1 1 149 149 ASP CB C 149 40.600 40.600 40.984 -0.384 19872 2746 1 6 . 1 1 2 2 SER HA H 2 4.360 4.360 4.299 0.061 19872 2747 1 6 . 1 1 2 2 SER C C 2 173.800 173.800 173.995 -0.195 19872 2748 1 6 . 1 1 2 2 SER CA C 2 58.000 58.000 58.290 -0.290 19872 2749 1 6 . 1 1 2 2 SER CB C 2 63.100 63.100 63.376 -0.276 19872 2750 1 6 . 1 1 3 3 PHE N N 3 122.000 122.000 120.527 1.473 19872 2751 1 6 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.761 -0.151 19872 2752 1 6 . 1 1 3 3 PHE C C 3 175.300 175.300 175.528 -0.228 19872 2753 1 6 . 1 1 3 3 PHE CA C 3 57.300 57.300 57.203 0.097 19872 2754 1 6 . 1 1 3 3 PHE CB C 3 39.300 39.300 40.170 -0.870 19872 2755 1 6 . 1 1 4 4 THR N N 4 116.900 116.900 113.285 3.615 19872 2756 1 6 . 1 1 4 4 THR HA H 4 4.180 4.180 4.518 -0.338 19872 2757 1 6 . 1 1 4 4 THR C C 4 173.800 173.800 174.242 -0.442 19872 2758 1 6 . 1 1 4 4 THR CA C 4 61.000 61.000 61.342 -0.342 19872 2759 1 6 . 1 1 4 4 THR CB C 4 69.300 69.300 71.155 -1.855 19872 2760 1 6 . 1 1 36 36 ALA N N 36 123.600 123.600 123.505 0.095 19872 2761 1 6 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.661 -0.431 19872 2762 1 6 . 1 1 36 36 ALA C C 36 178.100 178.100 177.156 0.944 19872 2763 1 6 . 1 1 36 36 ALA CA C 36 52.000 52.000 51.851 0.149 19872 2764 1 6 . 1 1 36 36 ALA CB C 36 18.700 18.700 19.734 -1.034 19872 2765 1 6 . 1 1 37 37 GLY N N 37 108.200 108.200 109.215 -1.015 19872 2766 1 6 . 1 1 37 37 GLY C C 37 174.500 174.500 174.177 0.323 19872 2767 1 6 . 1 1 37 37 GLY CA C 37 44.800 44.800 44.543 0.257 19872 2768 1 6 . 1 1 38 38 GLY N N 38 108.200 108.200 109.177 -0.977 19872 2769 1 6 . 1 1 38 38 GLY C C 38 174.500 174.500 174.435 0.065 19872 2770 1 6 . 1 1 38 38 GLY CA C 38 44.700 44.700 44.948 -0.248 19872 2771 1 6 . 1 1 39 39 GLY N N 39 108.600 108.600 106.839 1.761 19872 2772 1 6 . 1 1 39 39 GLY C C 39 174.100 174.100 173.680 0.420 19872 2773 1 6 . 1 1 39 39 GLY CA C 39 44.800 44.800 45.225 -0.425 19872 2774 1 6 . 1 1 40 40 GLY N N 40 107.700 107.700 108.583 -0.883 19872 2775 1 6 . 1 1 40 40 GLY C C 40 174.100 174.100 173.958 0.142 19872 2776 1 6 . 1 1 40 40 GLY CA C 40 44.700 44.700 45.553 -0.853 19872 2777 1 6 . 1 1 41 41 SER N N 41 115.700 115.700 115.859 -0.159 19872 2778 1 6 . 1 1 41 41 SER HA H 41 4.220 4.220 4.831 -0.611 19872 2779 1 6 . 1 1 41 41 SER C C 41 174.800 174.800 175.258 -0.458 19872 2780 1 6 . 1 1 41 41 SER CA C 41 58.400 58.400 56.287 2.113 19872 2781 1 6 . 1 1 41 41 SER CB C 41 63.100 63.100 64.541 -1.441 19872 2782 1 6 . 1 1 42 42 ALA N N 42 124.700 124.700 126.306 -1.606 19872 2783 1 6 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.166 -0.216 19872 2784 1 6 . 1 1 42 42 ALA C C 42 178.800 178.800 179.065 -0.265 19872 2785 1 6 . 1 1 42 42 ALA CA C 42 54.700 54.700 54.855 -0.155 19872 2786 1 6 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.623 -0.923 19872 2787 1 6 . 1 1 43 43 GLU N N 43 116.700 116.700 116.325 0.375 19872 2788 1 6 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.010 -0.060 19872 2789 1 6 . 1 1 43 43 GLU C C 43 178.800 178.800 177.966 0.834 19872 2790 1 6 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.440 0.060 19872 2791 1 6 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.913 -0.313 19872 2792 1 6 . 1 1 44 44 GLN N N 44 119.400 119.400 120.522 -1.122 19872 2793 1 6 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.183 -0.213 19872 2794 1 6 . 1 1 44 44 GLN C C 44 178.200 178.200 178.125 0.075 19872 2795 1 6 . 1 1 44 44 GLN CA C 44 57.600 57.600 58.369 -0.769 19872 2796 1 6 . 1 1 44 44 GLN CB C 44 28.100 28.100 29.243 -1.143 19872 2797 1 6 . 1 1 45 45 LEU N N 45 121.700 121.700 120.491 1.209 19872 2798 1 6 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.813 -0.243 19872 2799 1 6 . 1 1 45 45 LEU C C 45 177.300 177.300 178.870 -1.570 19872 2800 1 6 . 1 1 45 45 LEU CA C 45 56.500 56.500 58.184 -1.684 19872 2801 1 6 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.697 -1.197 19872 2802 1 6 . 1 1 46 46 ASP N N 46 118.000 118.000 118.984 -0.984 19872 2803 1 6 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.319 -0.289 19872 2804 1 6 . 1 1 46 46 ASP C C 46 176.800 176.800 177.876 -1.076 19872 2805 1 6 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.551 -0.951 19872 2806 1 6 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.874 0.726 19872 2807 1 6 . 1 1 47 47 ALA N N 47 116.100 116.100 120.964 -4.864 19872 2808 1 6 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.141 -0.251 19872 2809 1 6 . 1 1 47 47 ALA C C 47 180.300 180.300 178.701 1.599 19872 2810 1 6 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.225 -0.225 19872 2811 1 6 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.975 -1.575 19872 2812 1 6 . 1 1 48 48 LEU N N 48 117.800 117.800 118.809 -1.009 19872 2813 1 6 . 1 1 48 48 LEU HA H 48 3.840 3.840 3.989 -0.149 19872 2814 1 6 . 1 1 48 48 LEU C C 48 180.100 180.100 179.168 0.932 19872 2815 1 6 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.358 0.042 19872 2816 1 6 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.548 -0.648 19872 2817 1 6 . 1 1 49 49 VAL N N 49 112.100 112.100 113.030 -0.930 19872 2818 1 6 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.785 0.095 19872 2819 1 6 . 1 1 49 49 VAL C C 49 176.000 176.000 177.446 -1.446 19872 2820 1 6 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.160 -0.960 19872 2821 1 6 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.189 -0.189 19872 2822 1 6 . 1 1 50 50 LYS N N 50 115.400 115.400 118.649 -3.249 19872 2823 1 6 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.434 -0.274 19872 2824 1 6 . 1 1 50 50 LYS C C 50 177.900 177.900 176.961 0.939 19872 2825 1 6 . 1 1 50 50 LYS CA C 50 56.200 56.200 55.404 0.796 19872 2826 1 6 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.479 0.921 19872 2827 1 6 . 1 1 51 51 LYS N N 51 119.000 119.000 118.606 0.394 19872 2828 1 6 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.171 -0.251 19872 2829 1 6 . 1 1 51 51 LYS C C 51 174.700 174.700 176.587 -1.887 19872 2830 1 6 . 1 1 51 51 LYS CA C 51 58.000 58.000 57.922 0.078 19872 2831 1 6 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.821 -0.521 19872 2832 1 6 . 1 1 52 52 ASP N N 52 113.400 113.400 116.581 -3.181 19872 2833 1 6 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.799 0.191 19872 2834 1 6 . 1 1 52 52 ASP C C 52 174.400 174.400 174.730 -0.330 19872 2835 1 6 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.838 -1.038 19872 2836 1 6 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.867 1.732 19872 2837 1 6 . 1 1 53 53 LYS N N 53 119.500 119.500 118.503 0.997 19872 2838 1 6 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.431 -0.421 19872 2839 1 6 . 1 1 53 53 LYS C C 53 176.100 176.100 176.593 -0.493 19872 2840 1 6 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.056 2.744 19872 2841 1 6 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.975 -0.375 19872 2842 1 6 . 1 1 54 54 VAL N N 54 117.700 117.700 119.394 -1.694 19872 2843 1 6 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.700 -0.080 19872 2844 1 6 . 1 1 54 54 VAL C C 54 173.700 173.700 174.191 -0.491 19872 2845 1 6 . 1 1 54 54 VAL CA C 54 60.900 60.900 61.301 -0.401 19872 2846 1 6 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.343 -0.043 19872 2847 1 6 . 1 1 55 55 VAL N N 55 127.100 127.100 127.110 -0.010 19872 2848 1 6 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.817 0.133 19872 2849 1 6 . 1 1 55 55 VAL C C 55 174.400 174.400 175.495 -1.095 19872 2850 1 6 . 1 1 55 55 VAL CA C 55 60.600 60.600 61.468 -0.868 19872 2851 1 6 . 1 1 55 55 VAL CB C 55 35.200 35.200 32.615 2.585 19872 2852 1 6 . 1 1 56 56 VAL N N 56 119.700 119.700 127.192 -7.492 19872 2853 1 6 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.061 0.379 19872 2854 1 6 . 1 1 56 56 VAL C C 56 173.400 173.400 174.819 -1.419 19872 2855 1 6 . 1 1 56 56 VAL CA C 56 58.000 58.000 60.874 -2.874 19872 2856 1 6 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.729 0.071 19872 2857 1 6 . 1 1 57 57 PHE N N 57 122.400 122.400 124.041 -1.641 19872 2858 1 6 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.283 -0.073 19872 2859 1 6 . 1 1 57 57 PHE C C 57 174.800 174.800 174.123 0.677 19872 2860 1 6 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.392 -0.992 19872 2861 1 6 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.523 -0.823 19872 2862 1 6 . 1 1 58 58 LEU N N 58 120.500 120.500 120.301 0.199 19872 2863 1 6 . 1 1 58 58 LEU HA H 58 4.700 4.700 4.825 -0.125 19872 2864 1 6 . 1 1 58 58 LEU C C 58 175.500 175.500 175.170 0.330 19872 2865 1 6 . 1 1 58 58 LEU CA C 58 53.000 53.000 54.110 -1.110 19872 2866 1 6 . 1 1 58 58 LEU CB C 58 45.100 45.100 44.998 0.102 19872 2867 1 6 . 1 1 59 59 LYS N N 59 117.800 117.800 120.488 -2.688 19872 2868 1 6 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.341 0.009 19872 2869 1 6 . 1 1 59 59 LYS C C 59 175.200 175.200 175.998 -0.798 19872 2870 1 6 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.476 -0.376 19872 2871 1 6 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.779 0.521 19872 2872 1 6 . 1 1 60 60 GLY N N 60 114.800 114.800 109.939 4.861 19872 2873 1 6 . 1 1 60 60 GLY C C 60 170.300 170.300 172.500 -2.200 19872 2874 1 6 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.714 -1.813 19872 2875 1 6 . 1 1 61 61 THR N N 61 107.800 107.800 110.718 -2.918 19872 2876 1 6 . 1 1 61 61 THR HA H 61 4.740 4.740 4.970 -0.230 19872 2877 1 6 . 1 1 61 61 THR C C 61 173.100 173.100 173.612 -0.512 19872 2878 1 6 . 1 1 61 61 THR CA C 61 57.400 57.400 58.868 -1.468 19872 2879 1 6 . 1 1 61 61 THR CB C 61 68.800 68.800 70.141 -1.341 19872 2880 1 6 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.461 -0.491 19872 2881 1 6 . 1 1 62 62 PRO C C 62 177.200 177.200 176.802 0.398 19872 2882 1 6 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.425 0.475 19872 2883 1 6 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.269 -1.169 19872 2884 1 6 . 1 1 63 63 GLU N N 63 111.900 111.900 115.894 -3.994 19872 2885 1 6 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.351 -0.411 19872 2886 1 6 . 1 1 63 63 GLU C C 63 176.500 176.500 176.734 -0.234 19872 2887 1 6 . 1 1 63 63 GLU CA C 63 58.100 58.100 56.350 1.750 19872 2888 1 6 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.628 -0.428 19872 2889 1 6 . 1 1 64 64 GLN N N 64 117.700 117.700 119.996 -2.296 19872 2890 1 6 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.803 -0.323 19872 2891 1 6 . 1 1 64 64 GLN C C 64 171.500 171.500 173.492 -1.992 19872 2892 1 6 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.328 0.073 19872 2893 1 6 . 1 1 64 64 GLN CB C 64 29.100 29.100 30.947 -1.847 19872 2894 1 6 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.692 -0.142 19872 2895 1 6 . 1 1 65 65 PRO C C 65 177.900 177.900 177.479 0.421 19872 2896 1 6 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.558 0.442 19872 2897 1 6 . 1 1 65 65 PRO CB C 65 31.700 31.700 31.590 0.110 19872 2898 1 6 . 1 1 66 66 GLN N N 66 119.700 119.700 123.982 -4.282 19872 2899 1 6 . 1 1 66 66 GLN HA H 66 4.500 4.500 3.891 0.609 19872 2900 1 6 . 1 1 66 66 GLN C C 66 174.400 174.400 175.887 -1.487 19872 2901 1 6 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.903 -3.303 19872 2902 1 6 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.421 0.679 19872 2903 1 6 . 1 1 67 67 CYS N N 67 116.700 116.700 116.181 0.519 19872 2904 1 6 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.611 0.089 19872 2905 1 6 . 1 1 67 67 CYS C C 67 176.500 176.500 174.627 1.873 19872 2906 1 6 . 1 1 67 67 CYS CA C 67 58.700 58.700 57.578 1.122 19872 2907 1 6 . 1 1 67 67 CYS CB C 67 32.800 32.800 29.025 3.775 19872 2908 1 6 . 1 1 68 68 GLY C C 68 176.500 176.500 175.207 1.293 19872 2909 1 6 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.629 0.271 19872 2910 1 6 . 1 1 69 69 PHE N N 69 125.800 125.800 115.555 10.245 19872 2911 1 6 . 1 1 69 69 PHE HA H 69 4.710 4.710 3.980 0.730 19872 2912 1 6 . 1 1 69 69 PHE C C 69 178.300 178.300 176.623 1.677 19872 2913 1 6 . 1 1 69 69 PHE CA C 69 59.900 59.900 60.534 -0.634 19872 2914 1 6 . 1 1 69 69 PHE CB C 69 37.900 37.900 38.150 -0.250 19872 2915 1 6 . 1 1 70 70 SER N N 70 124.200 124.200 115.126 9.074 19872 2916 1 6 . 1 1 70 70 SER HA H 70 3.980 3.980 4.182 -0.202 19872 2917 1 6 . 1 1 70 70 SER CA C 70 63.800 63.800 62.004 1.796 19872 2918 1 6 . 1 1 70 70 SER CB C 70 62.000 62.000 63.189 -1.189 19872 2919 1 6 . 1 1 71 71 ASN N N 71 118.500 118.500 118.888 -0.388 19872 2920 1 6 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.530 -0.380 19872 2921 1 6 . 1 1 71 71 ASN C C 71 175.800 175.800 176.736 -0.936 19872 2922 1 6 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.518 0.882 19872 2923 1 6 . 1 1 71 71 ASN CB C 71 38.800 38.800 37.419 1.381 19872 2924 1 6 . 1 1 72 72 ALA N N 72 119.900 119.900 123.416 -3.516 19872 2925 1 6 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.035 -0.055 19872 2926 1 6 . 1 1 72 72 ALA C C 72 179.700 179.700 179.725 -0.025 19872 2927 1 6 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.861 -0.061 19872 2928 1 6 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.071 -0.371 19872 2929 1 6 . 1 1 73 73 VAL N N 73 115.700 115.700 114.658 1.042 19872 2930 1 6 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.712 -0.372 19872 2931 1 6 . 1 1 73 73 VAL C C 73 176.300 176.300 177.499 -1.199 19872 2932 1 6 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.820 0.380 19872 2933 1 6 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.323 -0.223 19872 2934 1 6 . 1 1 74 74 VAL N N 74 118.100 118.100 120.636 -2.536 19872 2935 1 6 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.544 -0.214 19872 2936 1 6 . 1 1 74 74 VAL C C 74 178.800 178.800 178.005 0.795 19872 2937 1 6 . 1 1 74 74 VAL CA C 74 66.100 66.100 66.204 -0.104 19872 2938 1 6 . 1 1 74 74 VAL CB C 74 31.100 31.100 31.209 -0.109 19872 2939 1 6 . 1 1 75 75 GLN N N 75 119.000 119.000 119.800 -0.800 19872 2940 1 6 . 1 1 75 75 GLN HA H 75 3.910 3.910 4.015 -0.105 19872 2941 1 6 . 1 1 75 75 GLN C C 75 178.500 178.500 178.744 -0.244 19872 2942 1 6 . 1 1 75 75 GLN CA C 75 57.900 57.900 58.904 -1.004 19872 2943 1 6 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.357 -1.257 19872 2944 1 6 . 1 1 76 76 ILE N N 76 120.600 120.600 120.439 0.161 19872 2945 1 6 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.501 -0.181 19872 2946 1 6 . 1 1 76 76 ILE C C 76 177.600 177.600 178.189 -0.589 19872 2947 1 6 . 1 1 76 76 ILE CA C 76 64.700 64.700 64.959 -0.259 19872 2948 1 6 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.649 -0.749 19872 2949 1 6 . 1 1 77 77 LEU N N 77 117.800 117.800 120.062 -2.262 19872 2950 1 6 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.943 -0.213 19872 2951 1 6 . 1 1 77 77 LEU C C 77 178.400 178.400 179.046 -0.646 19872 2952 1 6 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.542 -0.442 19872 2953 1 6 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.516 -2.115 19872 2954 1 6 . 1 1 78 78 ARG N N 78 118.800 118.800 119.537 -0.737 19872 2955 1 6 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.294 -0.214 19872 2956 1 6 . 1 1 78 78 ARG C C 78 180.800 180.800 179.485 1.315 19872 2957 1 6 . 1 1 78 78 ARG CA C 78 58.900 58.900 58.798 0.102 19872 2958 1 6 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.774 -0.474 19872 2959 1 6 . 1 1 79 79 LEU N N 79 123.200 123.200 121.179 2.021 19872 2960 1 6 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.028 -0.138 19872 2961 1 6 . 1 1 79 79 LEU C C 79 178.200 178.200 178.341 -0.141 19872 2962 1 6 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.338 0.162 19872 2963 1 6 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.868 -0.368 19872 2964 1 6 . 1 1 80 80 HIS N N 80 112.200 112.200 113.972 -1.772 19872 2965 1 6 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.517 -0.417 19872 2966 1 6 . 1 1 80 80 HIS C C 80 176.000 176.000 176.556 -0.556 19872 2967 1 6 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.663 0.337 19872 2968 1 6 . 1 1 80 80 HIS CB C 80 31.700 31.700 30.282 1.417 19872 2969 1 6 . 1 1 81 81 GLY N N 81 111.700 111.700 107.518 4.182 19872 2970 1 6 . 1 1 81 81 GLY C C 81 174.000 174.000 174.121 -0.121 19872 2971 1 6 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.343 0.257 19872 2972 1 6 . 1 1 82 82 VAL N N 82 120.400 120.400 122.746 -2.346 19872 2973 1 6 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.286 -0.476 19872 2974 1 6 . 1 1 82 82 VAL C C 82 174.800 174.800 175.255 -0.455 19872 2975 1 6 . 1 1 82 82 VAL CA C 82 62.200 62.200 61.778 0.422 19872 2976 1 6 . 1 1 82 82 VAL CB C 82 29.700 29.700 32.179 -2.479 19872 2977 1 6 . 1 1 83 83 ARG N N 83 126.600 126.600 123.684 2.916 19872 2978 1 6 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.553 -0.193 19872 2979 1 6 . 1 1 83 83 ARG C C 83 176.000 176.000 175.720 0.280 19872 2980 1 6 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.819 -0.220 19872 2981 1 6 . 1 1 83 83 ARG CB C 83 31.100 31.100 30.766 0.334 19872 2982 1 6 . 1 1 84 84 ASP N N 84 118.400 118.400 120.013 -1.613 19872 2983 1 6 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.482 0.068 19872 2984 1 6 . 1 1 84 84 ASP C C 84 174.200 174.200 175.506 -1.306 19872 2985 1 6 . 1 1 84 84 ASP CA C 84 53.000 53.000 52.810 0.190 19872 2986 1 6 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.757 -0.756 19872 2987 1 6 . 1 1 85 85 TYR N N 85 116.200 116.200 116.021 0.179 19872 2988 1 6 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.828 -0.078 19872 2989 1 6 . 1 1 85 85 TYR C C 85 173.100 173.100 175.597 -2.497 19872 2990 1 6 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.304 -1.304 19872 2991 1 6 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.823 0.377 19872 2992 1 6 . 1 1 86 86 ALA N N 86 125.000 125.000 123.476 1.524 19872 2993 1 6 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.673 -0.453 19872 2994 1 6 . 1 1 86 86 ALA C C 86 174.300 174.300 175.828 -1.528 19872 2995 1 6 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.803 -0.003 19872 2996 1 6 . 1 1 86 86 ALA CB C 86 20.400 20.400 20.305 0.095 19872 2997 1 6 . 1 1 87 87 ALA N N 87 124.400 124.400 128.868 -4.468 19872 2998 1 6 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.630 0.540 19872 2999 1 6 . 1 1 87 87 ALA C C 87 175.400 175.400 176.002 -0.602 19872 3000 1 6 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.936 -2.036 19872 3001 1 6 . 1 1 87 87 ALA CB C 87 21.400 21.400 19.218 2.182 19872 3002 1 6 . 1 1 88 88 TYR N N 88 121.100 121.100 124.522 -3.422 19872 3003 1 6 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.247 0.243 19872 3004 1 6 . 1 1 88 88 TYR C C 88 174.100 174.100 174.734 -0.634 19872 3005 1 6 . 1 1 88 88 TYR CA C 88 56.900 56.900 57.412 -0.512 19872 3006 1 6 . 1 1 88 88 TYR CB C 88 40.200 40.200 38.575 1.625 19872 3007 1 6 . 1 1 89 89 ASN N N 89 122.300 122.300 123.493 -1.193 19872 3008 1 6 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.120 0.070 19872 3009 1 6 . 1 1 89 89 ASN C C 89 178.000 178.000 176.724 1.276 19872 3010 1 6 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.762 -1.962 19872 3011 1 6 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.496 -0.496 19872 3012 1 6 . 1 1 90 90 VAL N N 90 117.900 117.900 120.880 -2.980 19872 3013 1 6 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.148 0.032 19872 3014 1 6 . 1 1 90 90 VAL C C 90 176.700 176.700 175.813 0.887 19872 3015 1 6 . 1 1 90 90 VAL CA C 90 62.200 62.200 63.431 -1.231 19872 3016 1 6 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.616 -1.116 19872 3017 1 6 . 1 1 91 91 LEU N N 91 118.900 118.900 119.708 -0.808 19872 3018 1 6 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.229 -0.169 19872 3019 1 6 . 1 1 91 91 LEU C C 91 177.500 177.500 178.415 -0.915 19872 3020 1 6 . 1 1 91 91 LEU CA C 91 56.000 56.000 56.725 -0.725 19872 3021 1 6 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.783 -1.383 19872 3022 1 6 . 1 1 92 92 ASP N N 92 115.500 115.500 118.932 -3.432 19872 3023 1 6 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.543 0.127 19872 3024 1 6 . 1 1 92 92 ASP C C 92 175.500 175.500 175.959 -0.459 19872 3025 1 6 . 1 1 92 92 ASP CA C 92 54.100 54.100 56.082 -1.982 19872 3026 1 6 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.475 -0.475 19872 3027 1 6 . 1 1 93 93 ASP N N 93 115.000 115.000 117.866 -2.866 19872 3028 1 6 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.102 -0.072 19872 3029 1 6 . 1 1 93 93 ASP C C 93 172.800 172.800 175.069 -2.269 19872 3030 1 6 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.725 -1.226 19872 3031 1 6 . 1 1 93 93 ASP CB C 93 41.900 41.900 43.017 -1.117 19872 3032 1 6 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.303 -0.033 19872 3033 1 6 . 1 1 94 94 PRO C C 94 179.300 179.300 178.504 0.796 19872 3034 1 6 . 1 1 94 94 PRO CA C 94 64.100 64.100 65.235 -1.135 19872 3035 1 6 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.261 -0.461 19872 3036 1 6 . 1 1 95 95 GLU N N 95 118.600 118.600 118.665 -0.065 19872 3037 1 6 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.131 -0.091 19872 3038 1 6 . 1 1 95 95 GLU C C 95 179.500 179.500 179.121 0.379 19872 3039 1 6 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.470 -0.870 19872 3040 1 6 . 1 1 95 95 GLU CB C 95 28.600 28.600 29.125 -0.524 19872 3041 1 6 . 1 1 96 96 LEU N N 96 123.800 123.800 120.205 3.595 19872 3042 1 6 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.059 -0.169 19872 3043 1 6 . 1 1 96 96 LEU C C 96 177.200 177.200 178.848 -1.648 19872 3044 1 6 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.500 -0.400 19872 3045 1 6 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.821 -0.521 19872 3046 1 6 . 1 1 97 97 ARG N N 97 117.900 117.900 119.351 -1.451 19872 3047 1 6 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.887 -0.347 19872 3048 1 6 . 1 1 97 97 ARG C C 97 176.400 176.400 178.356 -1.956 19872 3049 1 6 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.084 -0.184 19872 3050 1 6 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.012 0.388 19872 3051 1 6 . 1 1 98 98 GLN N N 98 114.400 114.400 118.208 -3.808 19872 3052 1 6 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.110 -0.290 19872 3053 1 6 . 1 1 98 98 GLN C C 98 177.500 177.500 178.545 -1.045 19872 3054 1 6 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.659 -1.759 19872 3055 1 6 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.596 -0.596 19872 3056 1 6 . 1 1 99 99 GLY N N 99 107.700 107.700 108.440 -0.740 19872 3057 1 6 . 1 1 99 99 GLY C C 99 176.700 176.700 176.136 0.564 19872 3058 1 6 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.305 -0.805 19872 3059 1 6 . 1 1 100 100 ILE N N 100 120.900 120.900 122.592 -1.692 19872 3060 1 6 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.880 0.100 19872 3061 1 6 . 1 1 100 100 ILE C C 100 176.800 176.800 177.377 -0.577 19872 3062 1 6 . 1 1 100 100 ILE CA C 100 60.500 60.500 61.894 -1.394 19872 3063 1 6 . 1 1 100 100 ILE CB C 100 37.500 37.500 38.182 -0.682 19872 3064 1 6 . 1 1 101 101 LYS N N 101 124.600 124.600 120.802 3.798 19872 3065 1 6 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.246 -0.166 19872 3066 1 6 . 1 1 101 101 LYS C C 101 178.900 178.900 178.561 0.339 19872 3067 1 6 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.618 -0.918 19872 3068 1 6 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.069 -0.269 19872 3069 1 6 . 1 1 102 102 ASP N N 102 118.700 118.700 119.253 -0.553 19872 3070 1 6 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.484 -0.234 19872 3071 1 6 . 1 1 102 102 ASP C C 102 177.700 177.700 178.814 -1.114 19872 3072 1 6 . 1 1 102 102 ASP CA C 102 56.200 56.200 57.204 -1.004 19872 3073 1 6 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.252 -1.552 19872 3074 1 6 . 1 1 103 103 TYR N N 103 120.300 120.300 121.506 -1.206 19872 3075 1 6 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.206 -0.146 19872 3076 1 6 . 1 1 103 103 TYR C C 103 176.600 176.600 177.221 -0.621 19872 3077 1 6 . 1 1 103 103 TYR CA C 103 60.500 60.500 60.694 -0.194 19872 3078 1 6 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.905 0.995 19872 3079 1 6 . 1 1 104 104 SER N N 104 110.900 110.900 111.560 -0.660 19872 3080 1 6 . 1 1 104 104 SER HA H 104 3.900 3.900 4.400 -0.500 19872 3081 1 6 . 1 1 104 104 SER C C 104 174.600 174.600 173.734 0.866 19872 3082 1 6 . 1 1 104 104 SER CA C 104 57.700 57.700 58.468 -0.768 19872 3083 1 6 . 1 1 104 104 SER CB C 104 63.900 63.900 64.468 -0.568 19872 3084 1 6 . 1 1 105 105 ASN N N 105 117.900 117.900 116.777 1.123 19872 3085 1 6 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.552 -0.352 19872 3086 1 6 . 1 1 105 105 ASN C C 105 173.200 173.200 174.232 -1.032 19872 3087 1 6 . 1 1 105 105 ASN CA C 105 53.800 53.800 55.051 -1.251 19872 3088 1 6 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.174 -0.974 19872 3089 1 6 . 1 1 106 106 TRP N N 106 120.600 120.600 119.510 1.090 19872 3090 1 6 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.004 0.076 19872 3091 1 6 . 1 1 106 106 TRP C C 106 175.400 175.400 175.547 -0.147 19872 3092 1 6 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.208 -1.708 19872 3093 1 6 . 1 1 106 106 TRP CB C 106 31.000 31.000 30.496 0.504 19872 3094 1 6 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.338 -0.168 19872 3095 1 6 . 1 1 107 107 PRO C C 107 175.900 175.900 176.430 -0.530 19872 3096 1 6 . 1 1 107 107 PRO CA C 107 63.700 63.700 64.371 -0.671 19872 3097 1 6 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.205 -0.605 19872 3098 1 6 . 1 1 108 108 THR N N 108 110.500 110.500 112.260 -1.760 19872 3099 1 6 . 1 1 108 108 THR HA H 108 4.300 4.300 4.461 -0.161 19872 3100 1 6 . 1 1 108 108 THR C C 108 171.400 171.400 172.817 -1.417 19872 3101 1 6 . 1 1 108 108 THR CA C 108 60.400 60.400 61.673 -1.273 19872 3102 1 6 . 1 1 108 108 THR CB C 108 70.400 70.400 69.527 0.873 19872 3103 1 6 . 1 1 109 109 ILE N N 109 123.100 123.100 124.766 -1.666 19872 3104 1 6 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.121 0.139 19872 3105 1 6 . 1 1 109 109 ILE C C 109 175.000 175.000 173.552 1.448 19872 3106 1 6 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.010 -1.110 19872 3107 1 6 . 1 1 109 109 ILE CB C 109 40.100 40.100 40.027 0.073 19872 3108 1 6 . 1 1 110 110 PRO HA H 110 5.340 5.340 4.717 0.623 19872 3109 1 6 . 1 1 110 110 PRO C C 110 175.600 175.600 175.601 -0.001 19872 3110 1 6 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.449 -0.949 19872 3111 1 6 . 1 1 110 110 PRO CB C 110 37.500 37.500 32.973 4.527 19872 3112 1 6 . 1 1 111 111 GLN N N 111 114.700 114.700 118.010 -3.310 19872 3113 1 6 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.078 -0.148 19872 3114 1 6 . 1 1 111 111 GLN C C 111 174.100 174.100 174.242 -0.142 19872 3115 1 6 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.236 1.165 19872 3116 1 6 . 1 1 111 111 GLN CB C 111 33.900 33.900 32.917 0.983 19872 3117 1 6 . 1 1 112 112 VAL N N 112 121.000 121.000 119.755 1.245 19872 3118 1 6 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.070 -0.290 19872 3119 1 6 . 1 1 112 112 VAL C C 112 172.300 172.300 173.205 -0.905 19872 3120 1 6 . 1 1 112 112 VAL CA C 112 61.200 61.200 59.999 1.201 19872 3121 1 6 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.504 -2.004 19872 3122 1 6 . 1 1 113 113 TYR N N 113 128.400 128.400 125.717 2.683 19872 3123 1 6 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.226 -0.256 19872 3124 1 6 . 1 1 113 113 TYR C C 113 173.800 173.800 174.401 -0.601 19872 3125 1 6 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.222 0.478 19872 3126 1 6 . 1 1 113 113 TYR CB C 113 41.000 41.000 40.718 0.282 19872 3127 1 6 . 1 1 114 114 LEU N N 114 117.900 117.900 124.305 -6.405 19872 3128 1 6 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.138 0.192 19872 3129 1 6 . 1 1 114 114 LEU C C 114 178.300 178.300 177.661 0.639 19872 3130 1 6 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.869 -1.769 19872 3131 1 6 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.342 -0.042 19872 3132 1 6 . 1 1 115 115 ASN N N 115 125.000 125.000 122.855 2.145 19872 3133 1 6 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.400 0.100 19872 3134 1 6 . 1 1 115 115 ASN C C 115 175.500 175.500 175.598 -0.098 19872 3135 1 6 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.287 -1.587 19872 3136 1 6 . 1 1 115 115 ASN CB C 115 38.700 38.700 38.229 0.471 19872 3137 1 6 . 1 1 116 116 GLY N N 116 105.000 105.000 102.291 2.709 19872 3138 1 6 . 1 1 116 116 GLY C C 116 172.900 172.900 173.220 -0.320 19872 3139 1 6 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.547 -0.447 19872 3140 1 6 . 1 1 117 117 GLU N N 117 118.900 118.900 119.930 -1.030 19872 3141 1 6 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.747 0.003 19872 3142 1 6 . 1 1 117 117 GLU C C 117 174.700 174.700 175.167 -0.467 19872 3143 1 6 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.604 -0.604 19872 3144 1 6 . 1 1 117 117 GLU CB C 117 31.600 31.600 32.334 -0.734 19872 3145 1 6 . 1 1 118 118 PHE N N 118 124.400 124.400 124.612 -0.212 19872 3146 1 6 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.626 -1.436 19872 3147 1 6 . 1 1 118 118 PHE C C 118 175.500 175.500 174.660 0.840 19872 3148 1 6 . 1 1 118 118 PHE CA C 118 57.500 57.500 58.304 -0.804 19872 3149 1 6 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.792 -1.692 19872 3150 1 6 . 1 1 119 119 VAL N N 119 126.900 126.900 125.924 0.976 19872 3151 1 6 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.067 -0.357 19872 3152 1 6 . 1 1 119 119 VAL C C 119 174.200 174.200 174.556 -0.356 19872 3153 1 6 . 1 1 119 119 VAL CA C 119 61.900 61.900 62.079 -0.179 19872 3154 1 6 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.014 -1.614 19872 3155 1 6 . 1 1 120 120 GLY N N 120 101.400 101.400 105.796 -4.396 19872 3156 1 6 . 1 1 120 120 GLY CA C 120 44.100 44.100 44.941 -0.841 19872 3157 1 6 . 1 1 121 121 GLY N N 121 106.300 106.300 106.256 0.044 19872 3158 1 6 . 1 1 121 121 GLY C C 121 173.100 173.100 175.158 -2.058 19872 3159 1 6 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.906 -0.706 19872 3160 1 6 . 1 1 122 122 CYS N N 122 119.400 119.400 119.474 -0.074 19872 3161 1 6 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.138 -0.478 19872 3162 1 6 . 1 1 122 122 CYS C C 122 174.800 174.800 176.236 -1.436 19872 3163 1 6 . 1 1 122 122 CYS CA C 122 61.800 61.800 61.544 0.256 19872 3164 1 6 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.792 -0.192 19872 3165 1 6 . 1 1 123 123 ASP N N 123 117.700 117.700 120.124 -2.424 19872 3166 1 6 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.503 -0.263 19872 3167 1 6 . 1 1 123 123 ASP C C 123 179.100 179.100 177.519 1.581 19872 3168 1 6 . 1 1 123 123 ASP CA C 123 57.700 57.700 57.058 0.642 19872 3169 1 6 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.986 -1.786 19872 3170 1 6 . 1 1 124 124 ILE N N 124 120.700 120.700 119.228 1.472 19872 3171 1 6 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.823 -0.103 19872 3172 1 6 . 1 1 124 124 ILE C C 124 177.200 177.200 177.681 -0.481 19872 3173 1 6 . 1 1 124 124 ILE CA C 124 63.100 63.100 63.929 -0.829 19872 3174 1 6 . 1 1 124 124 ILE CB C 124 37.000 37.000 38.243 -1.243 19872 3175 1 6 . 1 1 125 125 LEU N N 125 122.000 122.000 121.774 0.226 19872 3176 1 6 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.987 -0.157 19872 3177 1 6 . 1 1 125 125 LEU C C 125 178.800 178.800 178.140 0.660 19872 3178 1 6 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.345 -0.945 19872 3179 1 6 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.714 -0.914 19872 3180 1 6 . 1 1 126 126 LEU N N 126 118.200 118.200 117.755 0.445 19872 3181 1 6 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.157 -0.197 19872 3182 1 6 . 1 1 126 126 LEU C C 126 179.100 179.100 178.374 0.726 19872 3183 1 6 . 1 1 126 126 LEU CA C 126 57.800 57.800 57.175 0.625 19872 3184 1 6 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.966 -0.166 19872 3185 1 6 . 1 1 127 127 GLN N N 127 119.900 119.900 118.410 1.490 19872 3186 1 6 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.251 -0.281 19872 3187 1 6 . 1 1 127 127 GLN C C 127 178.200 178.200 177.992 0.208 19872 3188 1 6 . 1 1 127 127 GLN CA C 127 59.000 59.000 57.901 1.099 19872 3189 1 6 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.994 -1.094 19872 3190 1 6 . 1 1 128 128 MET N N 128 117.500 117.500 118.789 -1.289 19872 3191 1 6 . 1 1 128 128 MET HA H 128 4.360 4.360 4.134 0.226 19872 3192 1 6 . 1 1 128 128 MET C C 128 179.600 179.600 178.785 0.815 19872 3193 1 6 . 1 1 128 128 MET CA C 128 57.800 57.800 59.100 -1.300 19872 3194 1 6 . 1 1 128 128 MET CB C 128 33.500 33.500 32.565 0.935 19872 3195 1 6 . 1 1 129 129 HIS N N 129 122.300 122.300 119.453 2.847 19872 3196 1 6 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.323 0.027 19872 3197 1 6 . 1 1 129 129 HIS C C 129 177.000 177.000 177.647 -0.647 19872 3198 1 6 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.077 -0.877 19872 3199 1 6 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.797 1.303 19872 3200 1 6 . 1 1 130 130 GLN N N 130 116.700 116.700 117.092 -0.392 19872 3201 1 6 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.056 -0.296 19872 3202 1 6 . 1 1 130 130 GLN C C 130 177.600 177.600 177.647 -0.047 19872 3203 1 6 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.251 0.549 19872 3204 1 6 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.224 -0.925 19872 3205 1 6 . 1 1 131 131 ASN N N 131 114.200 114.200 117.710 -3.510 19872 3206 1 6 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.618 0.002 19872 3207 1 6 . 1 1 131 131 ASN C C 131 176.600 176.600 176.238 0.362 19872 3208 1 6 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.630 -1.330 19872 3209 1 6 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.365 -1.365 19872 3210 1 6 . 1 1 132 132 GLY N N 132 106.600 106.600 106.105 0.495 19872 3211 1 6 . 1 1 132 132 GLY C C 132 175.300 175.300 175.387 -0.087 19872 3212 1 6 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.048 0.152 19872 3213 1 6 . 1 1 133 133 ASP N N 133 122.900 122.900 122.185 0.715 19872 3214 1 6 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.549 -0.179 19872 3215 1 6 . 1 1 133 133 ASP C C 133 178.700 178.700 177.534 1.166 19872 3216 1 6 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.258 0.442 19872 3217 1 6 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.778 -0.778 19872 3218 1 6 . 1 1 134 134 LEU N N 134 118.900 118.900 118.979 -0.079 19872 3219 1 6 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.107 -0.327 19872 3220 1 6 . 1 1 134 134 LEU C C 134 177.300 177.300 178.132 -0.832 19872 3221 1 6 . 1 1 134 134 LEU CA C 134 57.300 57.300 57.091 0.209 19872 3222 1 6 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.743 -1.743 19872 3223 1 6 . 1 1 135 135 VAL N N 135 116.600 116.600 118.729 -2.129 19872 3224 1 6 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.691 -0.291 19872 3225 1 6 . 1 1 135 135 VAL C C 135 178.300 178.300 178.201 0.099 19872 3226 1 6 . 1 1 135 135 VAL CA C 135 66.800 66.800 65.730 1.070 19872 3227 1 6 . 1 1 135 135 VAL CB C 135 31.200 31.200 30.768 0.432 19872 3228 1 6 . 1 1 136 136 GLU N N 136 118.600 118.600 120.092 -1.492 19872 3229 1 6 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.031 -0.011 19872 3230 1 6 . 1 1 136 136 GLU C C 136 178.800 178.800 178.931 -0.131 19872 3231 1 6 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.438 -1.438 19872 3232 1 6 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.828 -0.328 19872 3233 1 6 . 1 1 137 137 GLU N N 137 119.500 119.500 120.277 -0.777 19872 3234 1 6 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.083 -0.193 19872 3235 1 6 . 1 1 137 137 GLU C C 137 179.500 179.500 179.299 0.201 19872 3236 1 6 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.887 -0.887 19872 3237 1 6 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.301 -0.701 19872 3238 1 6 . 1 1 138 138 LEU N N 138 117.400 117.400 119.491 -2.091 19872 3239 1 6 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.990 -0.100 19872 3240 1 6 . 1 1 138 138 LEU C C 138 179.200 179.200 178.842 0.358 19872 3241 1 6 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.538 -0.038 19872 3242 1 6 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.895 -2.595 19872 3243 1 6 . 1 1 139 139 LYS N N 139 121.100 121.100 120.100 1.000 19872 3244 1 6 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.151 -0.301 19872 3245 1 6 . 1 1 139 139 LYS C C 139 180.900 180.900 179.810 1.090 19872 3246 1 6 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.569 0.031 19872 3247 1 6 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.268 -0.468 19872 3248 1 6 . 1 1 140 140 LYS N N 140 119.800 119.800 118.997 0.803 19872 3249 1 6 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.113 -0.173 19872 3250 1 6 . 1 1 140 140 LYS C C 140 177.600 177.600 177.447 0.153 19872 3251 1 6 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.443 0.257 19872 3252 1 6 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.347 -0.447 19872 3253 1 6 . 1 1 141 141 LEU N N 141 116.600 116.600 119.123 -2.523 19872 3254 1 6 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.391 -0.071 19872 3255 1 6 . 1 1 141 141 LEU C C 141 176.400 176.400 177.558 -1.158 19872 3256 1 6 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.867 -1.267 19872 3257 1 6 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.669 0.331 19872 3258 1 6 . 1 1 142 142 GLY N N 142 107.200 107.200 107.607 -0.407 19872 3259 1 6 . 1 1 142 142 GLY C C 142 173.900 173.900 174.666 -0.766 19872 3260 1 6 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.528 -0.528 19872 3261 1 6 . 1 1 143 143 ILE N N 143 121.600 121.600 121.290 0.310 19872 3262 1 6 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.099 -0.079 19872 3263 1 6 . 1 1 143 143 ILE C C 143 173.900 173.900 175.458 -1.558 19872 3264 1 6 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.157 -1.157 19872 3265 1 6 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.838 -0.138 19872 3266 1 6 . 1 1 144 144 HIS N N 144 128.000 128.000 126.248 1.752 19872 3267 1 6 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.710 -0.370 19872 3268 1 6 . 1 1 144 144 HIS C C 144 173.800 173.800 174.736 -0.936 19872 3269 1 6 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.172 -0.872 19872 3270 1 6 . 1 1 144 144 HIS CB C 144 28.600 28.600 30.354 -1.754 19872 3271 1 6 . 1 1 145 145 SER N N 145 121.400 121.400 123.323 -1.923 19872 3272 1 6 . 1 1 145 145 SER HA H 145 4.470 4.470 4.511 -0.041 19872 3273 1 6 . 1 1 145 145 SER CA C 145 57.800 57.800 58.292 -0.492 19872 3274 1 6 . 1 1 145 145 SER CB C 145 62.200 62.200 63.803 -1.603 19872 3275 1 6 . 1 1 146 146 ALA N N 146 130.100 130.100 131.027 -0.927 19872 3276 1 6 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.150 0.030 19872 3277 1 6 . 1 1 146 146 ALA C C 146 178.100 178.100 178.742 -0.642 19872 3278 1 6 . 1 1 146 146 ALA CA C 146 52.900 52.900 54.018 -1.118 19872 3279 1 6 . 1 1 146 146 ALA CB C 146 17.700 17.700 18.836 -1.136 19872 3280 1 6 . 1 1 147 147 LEU N N 147 117.800 117.800 118.137 -0.337 19872 3281 1 6 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.154 -0.094 19872 3282 1 6 . 1 1 147 147 LEU C C 147 177.700 177.700 178.356 -0.656 19872 3283 1 6 . 1 1 147 147 LEU CA C 147 55.100 55.100 55.514 -0.414 19872 3284 1 6 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.415 -1.015 19872 3285 1 6 . 1 1 148 148 LEU N N 148 120.100 120.100 119.934 0.166 19872 3286 1 6 . 1 1 148 148 LEU HA H 148 4.180 4.180 4.019 0.161 19872 3287 1 6 . 1 1 148 148 LEU C C 148 176.500 176.500 177.979 -1.479 19872 3288 1 6 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.467 -2.767 19872 3289 1 6 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.004 0.996 19872 3290 1 6 . 1 1 149 149 ASP N N 149 121.900 121.900 118.816 3.084 19872 3291 1 6 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.622 -0.022 19872 3292 1 6 . 1 1 149 149 ASP C C 149 174.800 174.800 176.200 -1.400 19872 3293 1 6 . 1 1 149 149 ASP CA C 149 53.900 53.900 54.198 -0.298 19872 3294 1 6 . 1 1 149 149 ASP CB C 149 40.600 40.600 40.987 -0.387 19872 3295 1 7 . 1 1 2 2 SER HA H 2 4.360 4.360 4.549 -0.189 19872 3296 1 7 . 1 1 2 2 SER C C 2 173.800 173.800 173.632 0.168 19872 3297 1 7 . 1 1 2 2 SER CA C 2 58.000 58.000 58.516 -0.516 19872 3298 1 7 . 1 1 2 2 SER CB C 2 63.100 63.100 63.628 -0.528 19872 3299 1 7 . 1 1 3 3 PHE N N 3 122.000 122.000 121.459 0.541 19872 3300 1 7 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.680 -0.070 19872 3301 1 7 . 1 1 3 3 PHE C C 3 175.300 175.300 174.140 1.160 19872 3302 1 7 . 1 1 3 3 PHE CA C 3 57.300 57.300 57.590 -0.290 19872 3303 1 7 . 1 1 3 3 PHE CB C 3 39.300 39.300 40.730 -1.430 19872 3304 1 7 . 1 1 4 4 THR N N 4 116.900 116.900 116.973 -0.073 19872 3305 1 7 . 1 1 4 4 THR HA H 4 4.180 4.180 4.360 -0.180 19872 3306 1 7 . 1 1 4 4 THR C C 4 173.800 173.800 173.768 0.032 19872 3307 1 7 . 1 1 4 4 THR CA C 4 61.000 61.000 60.324 0.676 19872 3308 1 7 . 1 1 4 4 THR CB C 4 69.300 69.300 70.558 -1.258 19872 3309 1 7 . 1 1 36 36 ALA N N 36 123.600 123.600 120.700 2.900 19872 3310 1 7 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.659 -0.429 19872 3311 1 7 . 1 1 36 36 ALA C C 36 178.100 178.100 176.007 2.093 19872 3312 1 7 . 1 1 36 36 ALA CA C 36 52.000 52.000 51.830 0.170 19872 3313 1 7 . 1 1 36 36 ALA CB C 36 18.700 18.700 21.003 -2.303 19872 3314 1 7 . 1 1 37 37 GLY N N 37 108.200 108.200 107.080 1.120 19872 3315 1 7 . 1 1 37 37 GLY C C 37 174.500 174.500 173.287 1.213 19872 3316 1 7 . 1 1 37 37 GLY CA C 37 44.800 44.800 44.385 0.415 19872 3317 1 7 . 1 1 38 38 GLY N N 38 108.200 108.200 107.999 0.201 19872 3318 1 7 . 1 1 38 38 GLY C C 38 174.500 174.500 175.059 -0.559 19872 3319 1 7 . 1 1 38 38 GLY CA C 38 44.700 44.700 44.269 0.431 19872 3320 1 7 . 1 1 39 39 GLY N N 39 108.600 108.600 109.195 -0.595 19872 3321 1 7 . 1 1 39 39 GLY C C 39 174.100 174.100 175.735 -1.635 19872 3322 1 7 . 1 1 39 39 GLY CA C 39 44.800 44.800 45.381 -0.581 19872 3323 1 7 . 1 1 40 40 GLY N N 40 107.700 107.700 106.505 1.195 19872 3324 1 7 . 1 1 40 40 GLY C C 40 174.100 174.100 175.035 -0.935 19872 3325 1 7 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.855 -0.155 19872 3326 1 7 . 1 1 41 41 SER N N 41 115.700 115.700 117.483 -1.783 19872 3327 1 7 . 1 1 41 41 SER HA H 41 4.220 4.220 4.480 -0.260 19872 3328 1 7 . 1 1 41 41 SER C C 41 174.800 174.800 175.370 -0.570 19872 3329 1 7 . 1 1 41 41 SER CA C 41 58.400 58.400 58.724 -0.323 19872 3330 1 7 . 1 1 41 41 SER CB C 41 63.100 63.100 63.956 -0.856 19872 3331 1 7 . 1 1 42 42 ALA N N 42 124.700 124.700 128.391 -3.691 19872 3332 1 7 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.200 -0.250 19872 3333 1 7 . 1 1 42 42 ALA C C 42 178.800 178.800 178.942 -0.142 19872 3334 1 7 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.543 -0.843 19872 3335 1 7 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.832 -1.132 19872 3336 1 7 . 1 1 43 43 GLU N N 43 116.700 116.700 116.815 -0.115 19872 3337 1 7 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.048 -0.098 19872 3338 1 7 . 1 1 43 43 GLU C C 43 178.800 178.800 177.412 1.388 19872 3339 1 7 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.128 0.372 19872 3340 1 7 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.289 0.311 19872 3341 1 7 . 1 1 44 44 GLN N N 44 119.400 119.400 119.641 -0.241 19872 3342 1 7 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.191 -0.221 19872 3343 1 7 . 1 1 44 44 GLN C C 44 178.200 178.200 178.011 0.189 19872 3344 1 7 . 1 1 44 44 GLN CA C 44 57.600 57.600 57.974 -0.374 19872 3345 1 7 . 1 1 44 44 GLN CB C 44 28.100 28.100 29.067 -0.967 19872 3346 1 7 . 1 1 45 45 LEU N N 45 121.700 121.700 120.774 0.926 19872 3347 1 7 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.736 -0.167 19872 3348 1 7 . 1 1 45 45 LEU C C 45 177.300 177.300 178.701 -1.401 19872 3349 1 7 . 1 1 45 45 LEU CA C 45 56.500 56.500 57.937 -1.437 19872 3350 1 7 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.577 -1.077 19872 3351 1 7 . 1 1 46 46 ASP N N 46 118.000 118.000 119.101 -1.101 19872 3352 1 7 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.303 -0.273 19872 3353 1 7 . 1 1 46 46 ASP C C 46 176.800 176.800 177.771 -0.971 19872 3354 1 7 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.360 -0.760 19872 3355 1 7 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.852 0.747 19872 3356 1 7 . 1 1 47 47 ALA N N 47 116.100 116.100 121.601 -5.501 19872 3357 1 7 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.161 -0.271 19872 3358 1 7 . 1 1 47 47 ALA C C 47 180.300 180.300 178.893 1.407 19872 3359 1 7 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.465 -0.465 19872 3360 1 7 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.525 -1.125 19872 3361 1 7 . 1 1 48 48 LEU N N 48 117.800 117.800 118.281 -0.481 19872 3362 1 7 . 1 1 48 48 LEU HA H 48 3.840 3.840 3.941 -0.101 19872 3363 1 7 . 1 1 48 48 LEU C C 48 180.100 180.100 179.210 0.890 19872 3364 1 7 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.680 -0.280 19872 3365 1 7 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.398 -0.497 19872 3366 1 7 . 1 1 49 49 VAL N N 49 112.100 112.100 114.810 -2.710 19872 3367 1 7 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.775 0.105 19872 3368 1 7 . 1 1 49 49 VAL C C 49 176.000 176.000 177.483 -1.483 19872 3369 1 7 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.215 -1.015 19872 3370 1 7 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.091 -0.091 19872 3371 1 7 . 1 1 50 50 LYS N N 50 115.400 115.400 118.980 -3.580 19872 3372 1 7 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.329 -0.169 19872 3373 1 7 . 1 1 50 50 LYS C C 50 177.900 177.900 177.116 0.784 19872 3374 1 7 . 1 1 50 50 LYS CA C 50 56.200 56.200 55.918 0.282 19872 3375 1 7 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.689 0.711 19872 3376 1 7 . 1 1 51 51 LYS N N 51 119.000 119.000 118.749 0.251 19872 3377 1 7 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.209 -0.289 19872 3378 1 7 . 1 1 51 51 LYS C C 51 174.700 174.700 176.279 -1.579 19872 3379 1 7 . 1 1 51 51 LYS CA C 51 58.000 58.000 57.914 0.086 19872 3380 1 7 . 1 1 51 51 LYS CB C 51 32.300 32.300 33.003 -0.703 19872 3381 1 7 . 1 1 52 52 ASP N N 52 113.400 113.400 116.817 -3.417 19872 3382 1 7 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.885 0.105 19872 3383 1 7 . 1 1 52 52 ASP C C 52 174.400 174.400 174.871 -0.471 19872 3384 1 7 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.581 -0.781 19872 3385 1 7 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.825 1.775 19872 3386 1 7 . 1 1 53 53 LYS N N 53 119.500 119.500 119.123 0.377 19872 3387 1 7 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.358 -0.348 19872 3388 1 7 . 1 1 53 53 LYS C C 53 176.100 176.100 176.534 -0.434 19872 3389 1 7 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.094 2.706 19872 3390 1 7 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.842 -0.242 19872 3391 1 7 . 1 1 54 54 VAL N N 54 117.700 117.700 119.003 -1.303 19872 3392 1 7 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.533 0.087 19872 3393 1 7 . 1 1 54 54 VAL C C 54 173.700 173.700 174.177 -0.477 19872 3394 1 7 . 1 1 54 54 VAL CA C 54 60.900 60.900 61.199 -0.299 19872 3395 1 7 . 1 1 54 54 VAL CB C 54 32.300 32.300 31.965 0.335 19872 3396 1 7 . 1 1 55 55 VAL N N 55 127.100 127.100 126.941 0.159 19872 3397 1 7 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.615 0.335 19872 3398 1 7 . 1 1 55 55 VAL C C 55 174.400 174.400 175.163 -0.763 19872 3399 1 7 . 1 1 55 55 VAL CA C 55 60.600 60.600 61.618 -1.018 19872 3400 1 7 . 1 1 55 55 VAL CB C 55 35.200 35.200 32.405 2.795 19872 3401 1 7 . 1 1 56 56 VAL N N 56 119.700 119.700 127.948 -8.248 19872 3402 1 7 . 1 1 56 56 VAL HA H 56 5.440 5.440 4.992 0.448 19872 3403 1 7 . 1 1 56 56 VAL C C 56 173.400 173.400 174.804 -1.404 19872 3404 1 7 . 1 1 56 56 VAL CA C 56 58.000 58.000 61.181 -3.181 19872 3405 1 7 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.475 0.325 19872 3406 1 7 . 1 1 57 57 PHE N N 57 122.400 122.400 124.189 -1.789 19872 3407 1 7 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.242 -0.032 19872 3408 1 7 . 1 1 57 57 PHE C C 57 174.800 174.800 174.051 0.749 19872 3409 1 7 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.387 -0.987 19872 3410 1 7 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.909 -1.209 19872 3411 1 7 . 1 1 58 58 LEU N N 58 120.500 120.500 119.661 0.839 19872 3412 1 7 . 1 1 58 58 LEU HA H 58 4.700 4.700 5.031 -0.331 19872 3413 1 7 . 1 1 58 58 LEU C C 58 175.500 175.500 175.787 -0.287 19872 3414 1 7 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.909 -0.909 19872 3415 1 7 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.633 -0.533 19872 3416 1 7 . 1 1 59 59 LYS N N 59 117.800 117.800 120.572 -2.772 19872 3417 1 7 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.451 -0.101 19872 3418 1 7 . 1 1 59 59 LYS C C 59 175.200 175.200 175.801 -0.601 19872 3419 1 7 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.153 -0.053 19872 3420 1 7 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.556 0.744 19872 3421 1 7 . 1 1 60 60 GLY N N 60 114.800 114.800 109.272 5.528 19872 3422 1 7 . 1 1 60 60 GLY C C 60 170.300 170.300 172.546 -2.246 19872 3423 1 7 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.350 -1.450 19872 3424 1 7 . 1 1 61 61 THR N N 61 107.800 107.800 111.086 -3.286 19872 3425 1 7 . 1 1 61 61 THR HA H 61 4.740 4.740 4.990 -0.250 19872 3426 1 7 . 1 1 61 61 THR C C 61 173.100 173.100 174.285 -1.185 19872 3427 1 7 . 1 1 61 61 THR CA C 61 57.400 57.400 59.151 -1.751 19872 3428 1 7 . 1 1 61 61 THR CB C 61 68.800 68.800 70.370 -1.570 19872 3429 1 7 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.370 -0.400 19872 3430 1 7 . 1 1 62 62 PRO C C 62 177.200 177.200 177.065 0.135 19872 3431 1 7 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.826 0.074 19872 3432 1 7 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.249 -1.149 19872 3433 1 7 . 1 1 63 63 GLU N N 63 111.900 111.900 116.118 -4.218 19872 3434 1 7 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.322 -0.382 19872 3435 1 7 . 1 1 63 63 GLU C C 63 176.500 176.500 176.566 -0.066 19872 3436 1 7 . 1 1 63 63 GLU CA C 63 58.100 58.100 56.556 1.544 19872 3437 1 7 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.199 0.001 19872 3438 1 7 . 1 1 64 64 GLN N N 64 117.700 117.700 119.914 -2.214 19872 3439 1 7 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.799 -0.319 19872 3440 1 7 . 1 1 64 64 GLN C C 64 171.500 171.500 173.621 -2.121 19872 3441 1 7 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.439 -0.039 19872 3442 1 7 . 1 1 64 64 GLN CB C 64 29.100 29.100 30.987 -1.887 19872 3443 1 7 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.668 -0.118 19872 3444 1 7 . 1 1 65 65 PRO C C 65 177.900 177.900 177.236 0.664 19872 3445 1 7 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.428 0.572 19872 3446 1 7 . 1 1 65 65 PRO CB C 65 31.700 31.700 31.088 0.612 19872 3447 1 7 . 1 1 66 66 GLN N N 66 119.700 119.700 121.056 -1.356 19872 3448 1 7 . 1 1 66 66 GLN HA H 66 4.500 4.500 3.965 0.535 19872 3449 1 7 . 1 1 66 66 GLN C C 66 174.400 174.400 176.074 -1.674 19872 3450 1 7 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.872 -3.272 19872 3451 1 7 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.526 0.575 19872 3452 1 7 . 1 1 67 67 CYS N N 67 116.700 116.700 114.724 1.976 19872 3453 1 7 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.485 0.215 19872 3454 1 7 . 1 1 67 67 CYS C C 67 176.500 176.500 174.220 2.280 19872 3455 1 7 . 1 1 67 67 CYS CA C 67 58.700 58.700 57.879 0.821 19872 3456 1 7 . 1 1 67 67 CYS CB C 67 32.800 32.800 30.361 2.439 19872 3457 1 7 . 1 1 68 68 GLY C C 68 176.500 176.500 173.422 3.078 19872 3458 1 7 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.430 0.470 19872 3459 1 7 . 1 1 69 69 PHE N N 69 125.800 125.800 113.400 12.400 19872 3460 1 7 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.068 0.642 19872 3461 1 7 . 1 1 69 69 PHE C C 69 178.300 178.300 175.782 2.518 19872 3462 1 7 . 1 1 69 69 PHE CA C 69 59.900 59.900 57.777 2.123 19872 3463 1 7 . 1 1 69 69 PHE CB C 69 37.900 37.900 36.531 1.369 19872 3464 1 7 . 1 1 70 70 SER N N 70 124.200 124.200 116.255 7.945 19872 3465 1 7 . 1 1 70 70 SER HA H 70 3.980 3.980 4.068 -0.088 19872 3466 1 7 . 1 1 70 70 SER CA C 70 63.800 63.800 61.677 2.123 19872 3467 1 7 . 1 1 70 70 SER CB C 70 62.000 62.000 63.261 -1.261 19872 3468 1 7 . 1 1 71 71 ASN N N 71 118.500 118.500 120.316 -1.816 19872 3469 1 7 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.537 -0.387 19872 3470 1 7 . 1 1 71 71 ASN C C 71 175.800 175.800 176.409 -0.609 19872 3471 1 7 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.093 1.307 19872 3472 1 7 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.249 0.551 19872 3473 1 7 . 1 1 72 72 ALA N N 72 119.900 119.900 123.458 -3.558 19872 3474 1 7 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.093 -0.113 19872 3475 1 7 . 1 1 72 72 ALA C C 72 179.700 179.700 179.604 0.096 19872 3476 1 7 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.795 0.005 19872 3477 1 7 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.272 -0.572 19872 3478 1 7 . 1 1 73 73 VAL N N 73 115.700 115.700 114.299 1.401 19872 3479 1 7 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.605 -0.265 19872 3480 1 7 . 1 1 73 73 VAL C C 73 176.300 176.300 177.526 -1.226 19872 3481 1 7 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.964 0.236 19872 3482 1 7 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.362 -0.262 19872 3483 1 7 . 1 1 74 74 VAL N N 74 118.100 118.100 120.543 -2.443 19872 3484 1 7 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.533 -0.203 19872 3485 1 7 . 1 1 74 74 VAL C C 74 178.800 178.800 178.063 0.737 19872 3486 1 7 . 1 1 74 74 VAL CA C 74 66.100 66.100 66.279 -0.179 19872 3487 1 7 . 1 1 74 74 VAL CB C 74 31.100 31.100 31.433 -0.333 19872 3488 1 7 . 1 1 75 75 GLN N N 75 119.000 119.000 119.838 -0.838 19872 3489 1 7 . 1 1 75 75 GLN HA H 75 3.910 3.910 3.996 -0.086 19872 3490 1 7 . 1 1 75 75 GLN C C 75 178.500 178.500 178.776 -0.276 19872 3491 1 7 . 1 1 75 75 GLN CA C 75 57.900 57.900 59.380 -1.480 19872 3492 1 7 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.541 -1.441 19872 3493 1 7 . 1 1 76 76 ILE N N 76 120.600 120.600 120.405 0.195 19872 3494 1 7 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.462 -0.142 19872 3495 1 7 . 1 1 76 76 ILE C C 76 177.600 177.600 178.201 -0.601 19872 3496 1 7 . 1 1 76 76 ILE CA C 76 64.700 64.700 64.984 -0.284 19872 3497 1 7 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.672 -0.772 19872 3498 1 7 . 1 1 77 77 LEU N N 77 117.800 117.800 120.248 -2.448 19872 3499 1 7 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.943 -0.213 19872 3500 1 7 . 1 1 77 77 LEU C C 77 178.400 178.400 179.107 -0.707 19872 3501 1 7 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.496 -0.396 19872 3502 1 7 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.509 -2.109 19872 3503 1 7 . 1 1 78 78 ARG N N 78 118.800 118.800 119.788 -0.988 19872 3504 1 7 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.262 -0.182 19872 3505 1 7 . 1 1 78 78 ARG C C 78 180.800 180.800 179.483 1.317 19872 3506 1 7 . 1 1 78 78 ARG CA C 78 58.900 58.900 58.952 -0.052 19872 3507 1 7 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.844 -0.544 19872 3508 1 7 . 1 1 79 79 LEU N N 79 123.200 123.200 120.761 2.439 19872 3509 1 7 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.052 -0.162 19872 3510 1 7 . 1 1 79 79 LEU C C 79 178.200 178.200 177.917 0.283 19872 3511 1 7 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.453 0.047 19872 3512 1 7 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.844 -0.345 19872 3513 1 7 . 1 1 80 80 HIS N N 80 112.200 112.200 113.520 -1.320 19872 3514 1 7 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.523 -0.423 19872 3515 1 7 . 1 1 80 80 HIS C C 80 176.000 176.000 176.757 -0.757 19872 3516 1 7 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.674 0.326 19872 3517 1 7 . 1 1 80 80 HIS CB C 80 31.700 31.700 30.170 1.530 19872 3518 1 7 . 1 1 81 81 GLY N N 81 111.700 111.700 107.218 4.482 19872 3519 1 7 . 1 1 81 81 GLY C C 81 174.000 174.000 173.701 0.299 19872 3520 1 7 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.676 -0.076 19872 3521 1 7 . 1 1 82 82 VAL N N 82 120.400 120.400 123.083 -2.683 19872 3522 1 7 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.309 -0.499 19872 3523 1 7 . 1 1 82 82 VAL C C 82 174.800 174.800 175.700 -0.900 19872 3524 1 7 . 1 1 82 82 VAL CA C 82 62.200 62.200 62.533 -0.333 19872 3525 1 7 . 1 1 82 82 VAL CB C 82 29.700 29.700 32.198 -2.498 19872 3526 1 7 . 1 1 83 83 ARG N N 83 126.600 126.600 124.708 1.892 19872 3527 1 7 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.461 -0.101 19872 3528 1 7 . 1 1 83 83 ARG C C 83 176.000 176.000 176.052 -0.052 19872 3529 1 7 . 1 1 83 83 ARG CA C 83 55.600 55.600 56.521 -0.921 19872 3530 1 7 . 1 1 83 83 ARG CB C 83 31.100 31.100 30.994 0.106 19872 3531 1 7 . 1 1 84 84 ASP N N 84 118.400 118.400 120.495 -2.095 19872 3532 1 7 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.436 0.114 19872 3533 1 7 . 1 1 84 84 ASP C C 84 174.200 174.200 174.802 -0.602 19872 3534 1 7 . 1 1 84 84 ASP CA C 84 53.000 53.000 53.360 -0.360 19872 3535 1 7 . 1 1 84 84 ASP CB C 84 40.000 40.000 39.330 0.670 19872 3536 1 7 . 1 1 85 85 TYR N N 85 116.200 116.200 115.748 0.452 19872 3537 1 7 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.783 -0.033 19872 3538 1 7 . 1 1 85 85 TYR C C 85 173.100 173.100 175.719 -2.619 19872 3539 1 7 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.300 -1.300 19872 3540 1 7 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.694 0.506 19872 3541 1 7 . 1 1 86 86 ALA N N 86 125.000 125.000 123.676 1.324 19872 3542 1 7 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.585 -0.365 19872 3543 1 7 . 1 1 86 86 ALA C C 86 174.300 174.300 175.788 -1.488 19872 3544 1 7 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.706 0.094 19872 3545 1 7 . 1 1 86 86 ALA CB C 86 20.400 20.400 20.180 0.220 19872 3546 1 7 . 1 1 87 87 ALA N N 87 124.400 124.400 129.668 -5.268 19872 3547 1 7 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.588 0.582 19872 3548 1 7 . 1 1 87 87 ALA C C 87 175.400 175.400 176.030 -0.630 19872 3549 1 7 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.884 -1.984 19872 3550 1 7 . 1 1 87 87 ALA CB C 87 21.400 21.400 19.160 2.240 19872 3551 1 7 . 1 1 88 88 TYR N N 88 121.100 121.100 124.503 -3.403 19872 3552 1 7 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.217 0.273 19872 3553 1 7 . 1 1 88 88 TYR C C 88 174.100 174.100 174.832 -0.732 19872 3554 1 7 . 1 1 88 88 TYR CA C 88 56.900 56.900 57.916 -1.016 19872 3555 1 7 . 1 1 88 88 TYR CB C 88 40.200 40.200 38.601 1.599 19872 3556 1 7 . 1 1 89 89 ASN N N 89 122.300 122.300 123.969 -1.669 19872 3557 1 7 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.152 0.038 19872 3558 1 7 . 1 1 89 89 ASN C C 89 178.000 178.000 176.570 1.430 19872 3559 1 7 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.731 -1.931 19872 3560 1 7 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.669 -0.669 19872 3561 1 7 . 1 1 90 90 VAL N N 90 117.900 117.900 122.143 -4.243 19872 3562 1 7 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.275 -0.095 19872 3563 1 7 . 1 1 90 90 VAL C C 90 176.700 176.700 175.283 1.417 19872 3564 1 7 . 1 1 90 90 VAL CA C 90 62.200 62.200 62.746 -0.546 19872 3565 1 7 . 1 1 90 90 VAL CB C 90 30.500 30.500 30.695 -0.195 19872 3566 1 7 . 1 1 91 91 LEU N N 91 118.900 118.900 119.873 -0.973 19872 3567 1 7 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.364 -0.304 19872 3568 1 7 . 1 1 91 91 LEU C C 91 177.500 177.500 178.197 -0.697 19872 3569 1 7 . 1 1 91 91 LEU CA C 91 56.000 56.000 56.376 -0.376 19872 3570 1 7 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.798 -1.398 19872 3571 1 7 . 1 1 92 92 ASP N N 92 115.500 115.500 119.221 -3.721 19872 3572 1 7 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.528 0.142 19872 3573 1 7 . 1 1 92 92 ASP C C 92 175.500 175.500 176.115 -0.615 19872 3574 1 7 . 1 1 92 92 ASP CA C 92 54.100 54.100 56.172 -2.072 19872 3575 1 7 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.596 -0.596 19872 3576 1 7 . 1 1 93 93 ASP N N 93 115.000 115.000 118.592 -3.592 19872 3577 1 7 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.085 -0.055 19872 3578 1 7 . 1 1 93 93 ASP C C 93 172.800 172.800 175.276 -2.476 19872 3579 1 7 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.826 -1.326 19872 3580 1 7 . 1 1 93 93 ASP CB C 93 41.900 41.900 42.929 -1.029 19872 3581 1 7 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.298 -0.028 19872 3582 1 7 . 1 1 94 94 PRO C C 94 179.300 179.300 178.298 1.002 19872 3583 1 7 . 1 1 94 94 PRO CA C 94 64.100 64.100 65.112 -1.012 19872 3584 1 7 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.267 -0.467 19872 3585 1 7 . 1 1 95 95 GLU N N 95 118.600 118.600 118.295 0.305 19872 3586 1 7 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.113 -0.073 19872 3587 1 7 . 1 1 95 95 GLU C C 95 179.500 179.500 178.790 0.710 19872 3588 1 7 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.285 -0.685 19872 3589 1 7 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.654 -0.054 19872 3590 1 7 . 1 1 96 96 LEU N N 96 123.800 123.800 120.313 3.487 19872 3591 1 7 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.048 -0.158 19872 3592 1 7 . 1 1 96 96 LEU C C 96 177.200 177.200 178.813 -1.613 19872 3593 1 7 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.444 -0.344 19872 3594 1 7 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.829 -0.529 19872 3595 1 7 . 1 1 97 97 ARG N N 97 117.900 117.900 119.690 -1.790 19872 3596 1 7 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.895 -0.355 19872 3597 1 7 . 1 1 97 97 ARG C C 97 176.400 176.400 178.701 -2.301 19872 3598 1 7 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.215 -0.315 19872 3599 1 7 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.073 0.327 19872 3600 1 7 . 1 1 98 98 GLN N N 98 114.400 114.400 118.107 -3.707 19872 3601 1 7 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.129 -0.309 19872 3602 1 7 . 1 1 98 98 GLN C C 98 177.500 177.500 178.366 -0.866 19872 3603 1 7 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.965 -2.065 19872 3604 1 7 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.548 -0.548 19872 3605 1 7 . 1 1 99 99 GLY N N 99 107.700 107.700 108.767 -1.067 19872 3606 1 7 . 1 1 99 99 GLY C C 99 176.700 176.700 176.287 0.413 19872 3607 1 7 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.483 -0.983 19872 3608 1 7 . 1 1 100 100 ILE N N 100 120.900 120.900 122.320 -1.420 19872 3609 1 7 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.849 0.131 19872 3610 1 7 . 1 1 100 100 ILE C C 100 176.800 176.800 177.483 -0.683 19872 3611 1 7 . 1 1 100 100 ILE CA C 100 60.500 60.500 61.252 -0.752 19872 3612 1 7 . 1 1 100 100 ILE CB C 100 37.500 37.500 37.970 -0.470 19872 3613 1 7 . 1 1 101 101 LYS N N 101 124.600 124.600 120.658 3.942 19872 3614 1 7 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.328 -0.248 19872 3615 1 7 . 1 1 101 101 LYS C C 101 178.900 178.900 178.116 0.784 19872 3616 1 7 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.718 -1.018 19872 3617 1 7 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.267 -0.467 19872 3618 1 7 . 1 1 102 102 ASP N N 102 118.700 118.700 118.013 0.687 19872 3619 1 7 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.562 -0.312 19872 3620 1 7 . 1 1 102 102 ASP C C 102 177.700 177.700 178.914 -1.214 19872 3621 1 7 . 1 1 102 102 ASP CA C 102 56.200 56.200 56.874 -0.674 19872 3622 1 7 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.337 -1.637 19872 3623 1 7 . 1 1 103 103 TYR N N 103 120.300 120.300 120.234 0.066 19872 3624 1 7 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.229 -0.169 19872 3625 1 7 . 1 1 103 103 TYR C C 103 176.600 176.600 177.594 -0.994 19872 3626 1 7 . 1 1 103 103 TYR CA C 103 60.500 60.500 61.120 -0.620 19872 3627 1 7 . 1 1 103 103 TYR CB C 103 39.900 39.900 39.070 0.830 19872 3628 1 7 . 1 1 104 104 SER N N 104 110.900 110.900 114.687 -3.787 19872 3629 1 7 . 1 1 104 104 SER HA H 104 3.900 3.900 4.357 -0.457 19872 3630 1 7 . 1 1 104 104 SER C C 104 174.600 174.600 174.950 -0.350 19872 3631 1 7 . 1 1 104 104 SER CA C 104 57.700 57.700 59.665 -1.965 19872 3632 1 7 . 1 1 104 104 SER CB C 104 63.900 63.900 63.477 0.423 19872 3633 1 7 . 1 1 105 105 ASN N N 105 117.900 117.900 117.044 0.856 19872 3634 1 7 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.513 -0.313 19872 3635 1 7 . 1 1 105 105 ASN C C 105 173.200 173.200 173.906 -0.706 19872 3636 1 7 . 1 1 105 105 ASN CA C 105 53.800 53.800 54.734 -0.934 19872 3637 1 7 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.165 -0.965 19872 3638 1 7 . 1 1 106 106 TRP N N 106 120.600 120.600 118.558 2.042 19872 3639 1 7 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.121 -0.041 19872 3640 1 7 . 1 1 106 106 TRP C C 106 175.400 175.400 174.904 0.496 19872 3641 1 7 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.093 -1.593 19872 3642 1 7 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.474 -0.474 19872 3643 1 7 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.376 -0.206 19872 3644 1 7 . 1 1 107 107 PRO C C 107 175.900 175.900 176.283 -0.383 19872 3645 1 7 . 1 1 107 107 PRO CA C 107 63.700 63.700 65.026 -1.326 19872 3646 1 7 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.116 -0.516 19872 3647 1 7 . 1 1 108 108 THR N N 108 110.500 110.500 111.822 -1.322 19872 3648 1 7 . 1 1 108 108 THR HA H 108 4.300 4.300 4.638 -0.338 19872 3649 1 7 . 1 1 108 108 THR C C 108 171.400 171.400 172.657 -1.257 19872 3650 1 7 . 1 1 108 108 THR CA C 108 60.400 60.400 61.888 -1.488 19872 3651 1 7 . 1 1 108 108 THR CB C 108 70.400 70.400 70.669 -0.269 19872 3652 1 7 . 1 1 109 109 ILE N N 109 123.100 123.100 121.932 1.168 19872 3653 1 7 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.928 -0.668 19872 3654 1 7 . 1 1 109 109 ILE C C 109 175.000 175.000 173.761 1.239 19872 3655 1 7 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.541 -1.641 19872 3656 1 7 . 1 1 109 109 ILE CB C 109 40.100 40.100 39.875 0.225 19872 3657 1 7 . 1 1 110 110 PRO HA H 110 5.340 5.340 5.357 -0.017 19872 3658 1 7 . 1 1 110 110 PRO C C 110 175.600 175.600 175.813 -0.213 19872 3659 1 7 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.044 -0.543 19872 3660 1 7 . 1 1 110 110 PRO CB C 110 37.500 37.500 32.724 4.776 19872 3661 1 7 . 1 1 111 111 GLN N N 111 114.700 114.700 120.805 -6.105 19872 3662 1 7 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.444 -0.514 19872 3663 1 7 . 1 1 111 111 GLN C C 111 174.100 174.100 174.637 -0.537 19872 3664 1 7 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.762 0.638 19872 3665 1 7 . 1 1 111 111 GLN CB C 111 33.900 33.900 32.960 0.940 19872 3666 1 7 . 1 1 112 112 VAL N N 112 121.000 121.000 120.112 0.888 19872 3667 1 7 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.249 -0.469 19872 3668 1 7 . 1 1 112 112 VAL C C 112 172.300 172.300 173.548 -1.248 19872 3669 1 7 . 1 1 112 112 VAL CA C 112 61.200 61.200 60.324 0.876 19872 3670 1 7 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.643 -2.143 19872 3671 1 7 . 1 1 113 113 TYR N N 113 128.400 128.400 126.783 1.617 19872 3672 1 7 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.189 -0.219 19872 3673 1 7 . 1 1 113 113 TYR C C 113 173.800 173.800 174.523 -0.723 19872 3674 1 7 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.610 0.090 19872 3675 1 7 . 1 1 113 113 TYR CB C 113 41.000 41.000 40.344 0.656 19872 3676 1 7 . 1 1 114 114 LEU N N 114 117.900 117.900 123.861 -5.961 19872 3677 1 7 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.170 0.160 19872 3678 1 7 . 1 1 114 114 LEU C C 114 178.300 178.300 177.629 0.671 19872 3679 1 7 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.605 -1.505 19872 3680 1 7 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.651 -0.351 19872 3681 1 7 . 1 1 115 115 ASN N N 115 125.000 125.000 122.749 2.251 19872 3682 1 7 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.443 0.057 19872 3683 1 7 . 1 1 115 115 ASN C C 115 175.500 175.500 175.457 0.043 19872 3684 1 7 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.179 -1.479 19872 3685 1 7 . 1 1 115 115 ASN CB C 115 38.700 38.700 37.996 0.704 19872 3686 1 7 . 1 1 116 116 GLY N N 116 105.000 105.000 103.369 1.631 19872 3687 1 7 . 1 1 116 116 GLY C C 116 172.900 172.900 173.025 -0.125 19872 3688 1 7 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.859 -0.759 19872 3689 1 7 . 1 1 117 117 GLU N N 117 118.900 118.900 118.388 0.512 19872 3690 1 7 . 1 1 117 117 GLU HA H 117 4.750 4.750 5.030 -0.281 19872 3691 1 7 . 1 1 117 117 GLU C C 117 174.700 174.700 174.409 0.291 19872 3692 1 7 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.043 -0.043 19872 3693 1 7 . 1 1 117 117 GLU CB C 117 31.600 31.600 33.530 -1.930 19872 3694 1 7 . 1 1 118 118 PHE N N 118 124.400 124.400 123.943 0.457 19872 3695 1 7 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.075 -0.885 19872 3696 1 7 . 1 1 118 118 PHE C C 118 175.500 175.500 175.107 0.393 19872 3697 1 7 . 1 1 118 118 PHE CA C 118 57.500 57.500 57.416 0.084 19872 3698 1 7 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.292 -1.192 19872 3699 1 7 . 1 1 119 119 VAL N N 119 126.900 126.900 124.008 2.892 19872 3700 1 7 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.138 -0.428 19872 3701 1 7 . 1 1 119 119 VAL C C 119 174.200 174.200 174.578 -0.378 19872 3702 1 7 . 1 1 119 119 VAL CA C 119 61.900 61.900 62.287 -0.387 19872 3703 1 7 . 1 1 119 119 VAL CB C 119 32.400 32.400 33.978 -1.578 19872 3704 1 7 . 1 1 120 120 GLY N N 120 101.400 101.400 105.787 -4.387 19872 3705 1 7 . 1 1 120 120 GLY CA C 120 44.100 44.100 45.154 -1.054 19872 3706 1 7 . 1 1 121 121 GLY N N 121 106.300 106.300 105.603 0.697 19872 3707 1 7 . 1 1 121 121 GLY C C 121 173.100 173.100 174.740 -1.640 19872 3708 1 7 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.429 -0.229 19872 3709 1 7 . 1 1 122 122 CYS N N 122 119.400 119.400 119.838 -0.438 19872 3710 1 7 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.111 -0.451 19872 3711 1 7 . 1 1 122 122 CYS C C 122 174.800 174.800 175.979 -1.179 19872 3712 1 7 . 1 1 122 122 CYS CA C 122 61.800 61.800 61.026 0.774 19872 3713 1 7 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.785 -0.184 19872 3714 1 7 . 1 1 123 123 ASP N N 123 117.700 117.700 120.261 -2.561 19872 3715 1 7 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.275 -0.035 19872 3716 1 7 . 1 1 123 123 ASP C C 123 179.100 179.100 177.838 1.262 19872 3717 1 7 . 1 1 123 123 ASP CA C 123 57.700 57.700 56.928 0.772 19872 3718 1 7 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.940 -1.740 19872 3719 1 7 . 1 1 124 124 ILE N N 124 120.700 120.700 119.884 0.816 19872 3720 1 7 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.794 -0.074 19872 3721 1 7 . 1 1 124 124 ILE C C 124 177.200 177.200 177.936 -0.736 19872 3722 1 7 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.313 0.787 19872 3723 1 7 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.201 -0.201 19872 3724 1 7 . 1 1 125 125 LEU N N 125 122.000 122.000 121.686 0.314 19872 3725 1 7 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.966 -0.136 19872 3726 1 7 . 1 1 125 125 LEU C C 125 178.800 178.800 178.225 0.575 19872 3727 1 7 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.412 -1.012 19872 3728 1 7 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.620 -0.820 19872 3729 1 7 . 1 1 126 126 LEU N N 126 118.200 118.200 116.578 1.622 19872 3730 1 7 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.022 -0.062 19872 3731 1 7 . 1 1 126 126 LEU C C 126 179.100 179.100 178.791 0.309 19872 3732 1 7 . 1 1 126 126 LEU CA C 126 57.800 57.800 57.137 0.663 19872 3733 1 7 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.881 -0.081 19872 3734 1 7 . 1 1 127 127 GLN N N 127 119.900 119.900 118.144 1.756 19872 3735 1 7 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.116 -0.146 19872 3736 1 7 . 1 1 127 127 GLN C C 127 178.200 178.200 178.573 -0.373 19872 3737 1 7 . 1 1 127 127 GLN CA C 127 59.000 59.000 58.171 0.829 19872 3738 1 7 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.568 -0.668 19872 3739 1 7 . 1 1 128 128 MET N N 128 117.500 117.500 118.098 -0.598 19872 3740 1 7 . 1 1 128 128 MET HA H 128 4.360 4.360 4.522 -0.162 19872 3741 1 7 . 1 1 128 128 MET C C 128 179.600 179.600 178.958 0.642 19872 3742 1 7 . 1 1 128 128 MET CA C 128 57.800 57.800 58.508 -0.708 19872 3743 1 7 . 1 1 128 128 MET CB C 128 33.500 33.500 32.773 0.728 19872 3744 1 7 . 1 1 129 129 HIS N N 129 122.300 122.300 119.840 2.460 19872 3745 1 7 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.374 -0.024 19872 3746 1 7 . 1 1 129 129 HIS C C 129 177.000 177.000 177.616 -0.616 19872 3747 1 7 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.178 -0.978 19872 3748 1 7 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.791 1.310 19872 3749 1 7 . 1 1 130 130 GLN N N 130 116.700 116.700 117.003 -0.303 19872 3750 1 7 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.093 -0.333 19872 3751 1 7 . 1 1 130 130 GLN C C 130 177.600 177.600 177.648 -0.048 19872 3752 1 7 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.370 0.430 19872 3753 1 7 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.186 -0.886 19872 3754 1 7 . 1 1 131 131 ASN N N 131 114.200 114.200 117.972 -3.772 19872 3755 1 7 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.603 0.017 19872 3756 1 7 . 1 1 131 131 ASN C C 131 176.600 176.600 176.471 0.129 19872 3757 1 7 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.988 -1.688 19872 3758 1 7 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.797 -1.797 19872 3759 1 7 . 1 1 132 132 GLY N N 132 106.600 106.600 108.831 -2.231 19872 3760 1 7 . 1 1 132 132 GLY C C 132 175.300 175.300 174.486 0.814 19872 3761 1 7 . 1 1 132 132 GLY CA C 132 45.200 45.200 44.947 0.253 19872 3762 1 7 . 1 1 133 133 ASP N N 133 122.900 122.900 121.782 1.118 19872 3763 1 7 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.553 -0.183 19872 3764 1 7 . 1 1 133 133 ASP C C 133 178.700 178.700 177.782 0.918 19872 3765 1 7 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.668 0.032 19872 3766 1 7 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.643 -0.643 19872 3767 1 7 . 1 1 134 134 LEU N N 134 118.900 118.900 118.880 0.020 19872 3768 1 7 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.069 -0.289 19872 3769 1 7 . 1 1 134 134 LEU C C 134 177.300 177.300 177.782 -0.482 19872 3770 1 7 . 1 1 134 134 LEU CA C 134 57.300 57.300 56.938 0.362 19872 3771 1 7 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.639 -1.639 19872 3772 1 7 . 1 1 135 135 VAL N N 135 116.600 116.600 119.020 -2.420 19872 3773 1 7 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.696 -0.296 19872 3774 1 7 . 1 1 135 135 VAL C C 135 178.300 178.300 178.131 0.169 19872 3775 1 7 . 1 1 135 135 VAL CA C 135 66.800 66.800 65.651 1.149 19872 3776 1 7 . 1 1 135 135 VAL CB C 135 31.200 31.200 30.843 0.357 19872 3777 1 7 . 1 1 136 136 GLU N N 136 118.600 118.600 119.147 -0.547 19872 3778 1 7 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.017 0.003 19872 3779 1 7 . 1 1 136 136 GLU C C 136 178.800 178.800 179.197 -0.397 19872 3780 1 7 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.199 -1.199 19872 3781 1 7 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.753 -0.253 19872 3782 1 7 . 1 1 137 137 GLU N N 137 119.500 119.500 119.536 -0.036 19872 3783 1 7 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.184 -0.294 19872 3784 1 7 . 1 1 137 137 GLU C C 137 179.500 179.500 178.521 0.979 19872 3785 1 7 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.171 -0.171 19872 3786 1 7 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.459 -0.859 19872 3787 1 7 . 1 1 138 138 LEU N N 138 117.400 117.400 119.187 -1.787 19872 3788 1 7 . 1 1 138 138 LEU HA H 138 3.890 3.890 4.032 -0.142 19872 3789 1 7 . 1 1 138 138 LEU C C 138 179.200 179.200 178.725 0.475 19872 3790 1 7 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.449 0.051 19872 3791 1 7 . 1 1 138 138 LEU CB C 138 39.300 39.300 42.058 -2.758 19872 3792 1 7 . 1 1 139 139 LYS N N 139 121.100 121.100 119.221 1.879 19872 3793 1 7 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.067 -0.217 19872 3794 1 7 . 1 1 139 139 LYS C C 139 180.900 180.900 179.549 1.351 19872 3795 1 7 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.260 0.340 19872 3796 1 7 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.066 -0.266 19872 3797 1 7 . 1 1 140 140 LYS N N 140 119.800 119.800 120.083 -0.283 19872 3798 1 7 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.075 -0.135 19872 3799 1 7 . 1 1 140 140 LYS C C 140 177.600 177.600 177.777 -0.177 19872 3800 1 7 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.765 -0.065 19872 3801 1 7 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.242 -0.342 19872 3802 1 7 . 1 1 141 141 LEU N N 141 116.600 116.600 116.113 0.487 19872 3803 1 7 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.459 -0.139 19872 3804 1 7 . 1 1 141 141 LEU C C 141 176.400 176.400 178.025 -1.625 19872 3805 1 7 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.407 -0.807 19872 3806 1 7 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.898 0.102 19872 3807 1 7 . 1 1 142 142 GLY N N 142 107.200 107.200 108.050 -0.850 19872 3808 1 7 . 1 1 142 142 GLY C C 142 173.900 173.900 174.845 -0.945 19872 3809 1 7 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.451 -0.451 19872 3810 1 7 . 1 1 143 143 ILE N N 143 121.600 121.600 121.080 0.520 19872 3811 1 7 . 1 1 143 143 ILE HA H 143 4.020 4.020 3.961 0.059 19872 3812 1 7 . 1 1 143 143 ILE C C 143 173.900 173.900 176.177 -2.277 19872 3813 1 7 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.746 -1.746 19872 3814 1 7 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.549 0.151 19872 3815 1 7 . 1 1 144 144 HIS N N 144 128.000 128.000 127.410 0.590 19872 3816 1 7 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.513 -0.173 19872 3817 1 7 . 1 1 144 144 HIS C C 144 173.800 173.800 174.804 -1.004 19872 3818 1 7 . 1 1 144 144 HIS CA C 144 54.300 54.300 56.013 -1.712 19872 3819 1 7 . 1 1 144 144 HIS CB C 144 28.600 28.600 29.600 -1.000 19872 3820 1 7 . 1 1 145 145 SER N N 145 121.400 121.400 123.667 -2.267 19872 3821 1 7 . 1 1 145 145 SER HA H 145 4.470 4.470 4.544 -0.074 19872 3822 1 7 . 1 1 145 145 SER CA C 145 57.800 57.800 58.218 -0.418 19872 3823 1 7 . 1 1 145 145 SER CB C 145 62.200 62.200 63.675 -1.475 19872 3824 1 7 . 1 1 146 146 ALA N N 146 130.100 130.100 131.286 -1.186 19872 3825 1 7 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.195 -0.015 19872 3826 1 7 . 1 1 146 146 ALA C C 146 178.100 178.100 179.414 -1.314 19872 3827 1 7 . 1 1 146 146 ALA CA C 146 52.900 52.900 54.619 -1.719 19872 3828 1 7 . 1 1 146 146 ALA CB C 146 17.700 17.700 18.896 -1.196 19872 3829 1 7 . 1 1 147 147 LEU N N 147 117.800 117.800 117.686 0.114 19872 3830 1 7 . 1 1 147 147 LEU HA H 147 4.060 4.060 3.984 0.076 19872 3831 1 7 . 1 1 147 147 LEU C C 147 177.700 177.700 179.186 -1.486 19872 3832 1 7 . 1 1 147 147 LEU CA C 147 55.100 55.100 56.207 -1.107 19872 3833 1 7 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.057 -0.657 19872 3834 1 7 . 1 1 148 148 LEU N N 148 120.100 120.100 121.308 -1.208 19872 3835 1 7 . 1 1 148 148 LEU HA H 148 4.180 4.180 3.932 0.248 19872 3836 1 7 . 1 1 148 148 LEU C C 148 176.500 176.500 178.167 -1.667 19872 3837 1 7 . 1 1 148 148 LEU CA C 148 54.700 54.700 58.010 -3.310 19872 3838 1 7 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.997 0.003 19872 3839 1 7 . 1 1 149 149 ASP N N 149 121.900 121.900 116.300 5.600 19872 3840 1 7 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.810 -0.210 19872 3841 1 7 . 1 1 149 149 ASP C C 149 174.800 174.800 175.450 -0.650 19872 3842 1 7 . 1 1 149 149 ASP CA C 149 53.900 53.900 53.673 0.227 19872 3843 1 7 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.382 -0.782 19872 3844 1 8 . 1 1 2 2 SER HA H 2 4.360 4.360 4.456 -0.096 19872 3845 1 8 . 1 1 2 2 SER C C 2 173.800 173.800 173.954 -0.154 19872 3846 1 8 . 1 1 2 2 SER CA C 2 58.000 58.000 58.427 -0.427 19872 3847 1 8 . 1 1 2 2 SER CB C 2 63.100 63.100 63.994 -0.894 19872 3848 1 8 . 1 1 3 3 PHE N N 3 122.000 122.000 120.395 1.605 19872 3849 1 8 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.892 -0.282 19872 3850 1 8 . 1 1 3 3 PHE C C 3 175.300 175.300 176.313 -1.013 19872 3851 1 8 . 1 1 3 3 PHE CA C 3 57.300 57.300 56.739 0.561 19872 3852 1 8 . 1 1 3 3 PHE CB C 3 39.300 39.300 41.119 -1.819 19872 3853 1 8 . 1 1 4 4 THR N N 4 116.900 116.900 113.706 3.194 19872 3854 1 8 . 1 1 4 4 THR HA H 4 4.180 4.180 4.427 -0.247 19872 3855 1 8 . 1 1 4 4 THR C C 4 173.800 173.800 175.098 -1.298 19872 3856 1 8 . 1 1 4 4 THR CA C 4 61.000 61.000 62.260 -1.260 19872 3857 1 8 . 1 1 4 4 THR CB C 4 69.300 69.300 69.460 -0.160 19872 3858 1 8 . 1 1 36 36 ALA N N 36 123.600 123.600 121.801 1.799 19872 3859 1 8 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.749 -0.519 19872 3860 1 8 . 1 1 36 36 ALA C C 36 178.100 178.100 175.761 2.339 19872 3861 1 8 . 1 1 36 36 ALA CA C 36 52.000 52.000 52.625 -0.625 19872 3862 1 8 . 1 1 36 36 ALA CB C 36 18.700 18.700 20.703 -2.003 19872 3863 1 8 . 1 1 37 37 GLY N N 37 108.200 108.200 109.116 -0.916 19872 3864 1 8 . 1 1 37 37 GLY C C 37 174.500 174.500 173.758 0.742 19872 3865 1 8 . 1 1 37 37 GLY CA C 37 44.800 44.800 45.300 -0.500 19872 3866 1 8 . 1 1 38 38 GLY N N 38 108.200 108.200 107.418 0.782 19872 3867 1 8 . 1 1 38 38 GLY C C 38 174.500 174.500 176.359 -1.859 19872 3868 1 8 . 1 1 38 38 GLY CA C 38 44.700 44.700 44.557 0.143 19872 3869 1 8 . 1 1 39 39 GLY N N 39 108.600 108.600 106.086 2.514 19872 3870 1 8 . 1 1 39 39 GLY C C 39 174.100 174.100 173.981 0.119 19872 3871 1 8 . 1 1 39 39 GLY CA C 39 44.800 44.800 45.224 -0.424 19872 3872 1 8 . 1 1 40 40 GLY N N 40 107.700 107.700 107.121 0.579 19872 3873 1 8 . 1 1 40 40 GLY C C 40 174.100 174.100 172.935 1.165 19872 3874 1 8 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.733 -0.033 19872 3875 1 8 . 1 1 41 41 SER N N 41 115.700 115.700 113.082 2.618 19872 3876 1 8 . 1 1 41 41 SER HA H 41 4.220 4.220 4.094 0.126 19872 3877 1 8 . 1 1 41 41 SER C C 41 174.800 174.800 175.653 -0.853 19872 3878 1 8 . 1 1 41 41 SER CA C 41 58.400 58.400 58.131 0.269 19872 3879 1 8 . 1 1 41 41 SER CB C 41 63.100 63.100 63.712 -0.612 19872 3880 1 8 . 1 1 42 42 ALA N N 42 124.700 124.700 123.947 0.753 19872 3881 1 8 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.201 -0.251 19872 3882 1 8 . 1 1 42 42 ALA C C 42 178.800 178.800 178.786 0.014 19872 3883 1 8 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.047 -0.347 19872 3884 1 8 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.933 -1.232 19872 3885 1 8 . 1 1 43 43 GLU N N 43 116.700 116.700 116.684 0.016 19872 3886 1 8 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.009 -0.059 19872 3887 1 8 . 1 1 43 43 GLU C C 43 178.800 178.800 178.504 0.296 19872 3888 1 8 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.476 0.024 19872 3889 1 8 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.902 -0.302 19872 3890 1 8 . 1 1 44 44 GLN N N 44 119.400 119.400 119.525 -0.125 19872 3891 1 8 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.156 -0.186 19872 3892 1 8 . 1 1 44 44 GLN C C 44 178.200 178.200 177.853 0.347 19872 3893 1 8 . 1 1 44 44 GLN CA C 44 57.600 57.600 58.005 -0.405 19872 3894 1 8 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.915 -0.815 19872 3895 1 8 . 1 1 45 45 LEU N N 45 121.700 121.700 120.668 1.032 19872 3896 1 8 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.667 -0.097 19872 3897 1 8 . 1 1 45 45 LEU C C 45 177.300 177.300 178.745 -1.445 19872 3898 1 8 . 1 1 45 45 LEU CA C 45 56.500 56.500 57.659 -1.159 19872 3899 1 8 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.272 -0.772 19872 3900 1 8 . 1 1 46 46 ASP N N 46 118.000 118.000 119.274 -1.274 19872 3901 1 8 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.318 -0.288 19872 3902 1 8 . 1 1 46 46 ASP C C 46 176.800 176.800 177.884 -1.084 19872 3903 1 8 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.332 -0.732 19872 3904 1 8 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.805 0.795 19872 3905 1 8 . 1 1 47 47 ALA N N 47 116.100 116.100 121.127 -5.027 19872 3906 1 8 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.108 -0.218 19872 3907 1 8 . 1 1 47 47 ALA C C 47 180.300 180.300 179.297 1.003 19872 3908 1 8 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.480 -0.480 19872 3909 1 8 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.672 -1.272 19872 3910 1 8 . 1 1 48 48 LEU N N 48 117.800 117.800 118.714 -0.914 19872 3911 1 8 . 1 1 48 48 LEU HA H 48 3.840 3.840 3.970 -0.130 19872 3912 1 8 . 1 1 48 48 LEU C C 48 180.100 180.100 179.251 0.849 19872 3913 1 8 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.606 -0.206 19872 3914 1 8 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.363 -0.463 19872 3915 1 8 . 1 1 49 49 VAL N N 49 112.100 112.100 114.342 -2.242 19872 3916 1 8 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.892 -0.012 19872 3917 1 8 . 1 1 49 49 VAL C C 49 176.000 176.000 177.347 -1.347 19872 3918 1 8 . 1 1 49 49 VAL CA C 49 64.200 64.200 64.916 -0.716 19872 3919 1 8 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.035 -0.035 19872 3920 1 8 . 1 1 50 50 LYS N N 50 115.400 115.400 117.969 -2.569 19872 3921 1 8 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.338 -0.178 19872 3922 1 8 . 1 1 50 50 LYS C C 50 177.900 177.900 177.171 0.729 19872 3923 1 8 . 1 1 50 50 LYS CA C 50 56.200 56.200 56.394 -0.194 19872 3924 1 8 . 1 1 50 50 LYS CB C 50 32.400 32.400 32.127 0.273 19872 3925 1 8 . 1 1 51 51 LYS N N 51 119.000 119.000 118.768 0.232 19872 3926 1 8 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.115 -0.195 19872 3927 1 8 . 1 1 51 51 LYS C C 51 174.700 174.700 176.729 -2.029 19872 3928 1 8 . 1 1 51 51 LYS CA C 51 58.000 58.000 58.127 -0.127 19872 3929 1 8 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.829 -0.529 19872 3930 1 8 . 1 1 52 52 ASP N N 52 113.400 113.400 116.349 -2.949 19872 3931 1 8 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.779 0.211 19872 3932 1 8 . 1 1 52 52 ASP C C 52 174.400 174.400 175.004 -0.604 19872 3933 1 8 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.725 -0.925 19872 3934 1 8 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.935 1.665 19872 3935 1 8 . 1 1 53 53 LYS N N 53 119.500 119.500 118.606 0.894 19872 3936 1 8 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.447 -0.437 19872 3937 1 8 . 1 1 53 53 LYS C C 53 176.100 176.100 175.840 0.260 19872 3938 1 8 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.425 2.375 19872 3939 1 8 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.892 -0.292 19872 3940 1 8 . 1 1 54 54 VAL N N 54 117.700 117.700 118.648 -0.948 19872 3941 1 8 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.856 -0.236 19872 3942 1 8 . 1 1 54 54 VAL C C 54 173.700 173.700 174.141 -0.441 19872 3943 1 8 . 1 1 54 54 VAL CA C 54 60.900 60.900 60.152 0.748 19872 3944 1 8 . 1 1 54 54 VAL CB C 54 32.300 32.300 31.619 0.681 19872 3945 1 8 . 1 1 55 55 VAL N N 55 127.100 127.100 128.021 -0.921 19872 3946 1 8 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.821 0.129 19872 3947 1 8 . 1 1 55 55 VAL C C 55 174.400 174.400 174.986 -0.586 19872 3948 1 8 . 1 1 55 55 VAL CA C 55 60.600 60.600 61.355 -0.756 19872 3949 1 8 . 1 1 55 55 VAL CB C 55 35.200 35.200 32.837 2.363 19872 3950 1 8 . 1 1 56 56 VAL N N 56 119.700 119.700 126.459 -6.759 19872 3951 1 8 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.059 0.381 19872 3952 1 8 . 1 1 56 56 VAL C C 56 173.400 173.400 174.522 -1.122 19872 3953 1 8 . 1 1 56 56 VAL CA C 56 58.000 58.000 60.687 -2.687 19872 3954 1 8 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.953 -0.152 19872 3955 1 8 . 1 1 57 57 PHE N N 57 122.400 122.400 124.102 -1.702 19872 3956 1 8 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.242 -0.032 19872 3957 1 8 . 1 1 57 57 PHE C C 57 174.800 174.800 174.075 0.725 19872 3958 1 8 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.306 -0.905 19872 3959 1 8 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.111 -0.410 19872 3960 1 8 . 1 1 58 58 LEU N N 58 120.500 120.500 120.092 0.408 19872 3961 1 8 . 1 1 58 58 LEU HA H 58 4.700 4.700 5.012 -0.312 19872 3962 1 8 . 1 1 58 58 LEU C C 58 175.500 175.500 175.696 -0.196 19872 3963 1 8 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.957 -0.957 19872 3964 1 8 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.562 -0.462 19872 3965 1 8 . 1 1 59 59 LYS N N 59 117.800 117.800 121.124 -3.324 19872 3966 1 8 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.455 -0.105 19872 3967 1 8 . 1 1 59 59 LYS C C 59 175.200 175.200 175.838 -0.638 19872 3968 1 8 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.255 -0.155 19872 3969 1 8 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.611 0.689 19872 3970 1 8 . 1 1 60 60 GLY N N 60 114.800 114.800 110.076 4.724 19872 3971 1 8 . 1 1 60 60 GLY C C 60 170.300 170.300 172.592 -2.292 19872 3972 1 8 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.599 -1.699 19872 3973 1 8 . 1 1 61 61 THR N N 61 107.800 107.800 110.591 -2.791 19872 3974 1 8 . 1 1 61 61 THR HA H 61 4.740 4.740 4.982 -0.242 19872 3975 1 8 . 1 1 61 61 THR C C 61 173.100 173.100 173.875 -0.775 19872 3976 1 8 . 1 1 61 61 THR CA C 61 57.400 57.400 58.625 -1.225 19872 3977 1 8 . 1 1 61 61 THR CB C 61 68.800 68.800 70.678 -1.878 19872 3978 1 8 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.468 -0.498 19872 3979 1 8 . 1 1 62 62 PRO C C 62 177.200 177.200 177.495 -0.295 19872 3980 1 8 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.861 0.039 19872 3981 1 8 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.413 -1.313 19872 3982 1 8 . 1 1 63 63 GLU N N 63 111.900 111.900 116.880 -4.980 19872 3983 1 8 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.288 -0.348 19872 3984 1 8 . 1 1 63 63 GLU C C 63 176.500 176.500 177.248 -0.748 19872 3985 1 8 . 1 1 63 63 GLU CA C 63 58.100 58.100 56.889 1.211 19872 3986 1 8 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.399 -0.199 19872 3987 1 8 . 1 1 64 64 GLN N N 64 117.700 117.700 120.061 -2.361 19872 3988 1 8 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.732 -0.252 19872 3989 1 8 . 1 1 64 64 GLN C C 64 171.500 171.500 173.741 -2.241 19872 3990 1 8 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.322 0.078 19872 3991 1 8 . 1 1 64 64 GLN CB C 64 29.100 29.100 30.069 -0.969 19872 3992 1 8 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.562 -0.012 19872 3993 1 8 . 1 1 65 65 PRO C C 65 177.900 177.900 177.099 0.801 19872 3994 1 8 . 1 1 65 65 PRO CA C 65 63.000 63.000 63.054 -0.054 19872 3995 1 8 . 1 1 65 65 PRO CB C 65 31.700 31.700 31.830 -0.130 19872 3996 1 8 . 1 1 66 66 GLN N N 66 119.700 119.700 122.729 -3.029 19872 3997 1 8 . 1 1 66 66 GLN HA H 66 4.500 4.500 3.935 0.565 19872 3998 1 8 . 1 1 66 66 GLN C C 66 174.400 174.400 175.887 -1.487 19872 3999 1 8 . 1 1 66 66 GLN CA C 66 54.600 54.600 58.189 -3.589 19872 4000 1 8 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.335 0.765 19872 4001 1 8 . 1 1 67 67 CYS N N 67 116.700 116.700 116.278 0.422 19872 4002 1 8 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.632 0.068 19872 4003 1 8 . 1 1 67 67 CYS C C 67 176.500 176.500 175.015 1.485 19872 4004 1 8 . 1 1 67 67 CYS CA C 67 58.700 58.700 57.503 1.197 19872 4005 1 8 . 1 1 67 67 CYS CB C 67 32.800 32.800 29.084 3.716 19872 4006 1 8 . 1 1 68 68 GLY C C 68 176.500 176.500 175.151 1.349 19872 4007 1 8 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.391 0.509 19872 4008 1 8 . 1 1 69 69 PHE N N 69 125.800 125.800 115.411 10.389 19872 4009 1 8 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.079 0.631 19872 4010 1 8 . 1 1 69 69 PHE C C 69 178.300 178.300 177.439 0.861 19872 4011 1 8 . 1 1 69 69 PHE CA C 69 59.900 59.900 60.102 -0.202 19872 4012 1 8 . 1 1 69 69 PHE CB C 69 37.900 37.900 37.974 -0.074 19872 4013 1 8 . 1 1 70 70 SER N N 70 124.200 124.200 115.713 8.487 19872 4014 1 8 . 1 1 70 70 SER HA H 70 3.980 3.980 4.166 -0.186 19872 4015 1 8 . 1 1 70 70 SER CA C 70 63.800 63.800 61.841 1.959 19872 4016 1 8 . 1 1 70 70 SER CB C 70 62.000 62.000 62.922 -0.922 19872 4017 1 8 . 1 1 71 71 ASN N N 71 118.500 118.500 119.281 -0.781 19872 4018 1 8 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.394 -0.244 19872 4019 1 8 . 1 1 71 71 ASN C C 71 175.800 175.800 176.865 -1.065 19872 4020 1 8 . 1 1 71 71 ASN CA C 71 56.400 56.400 56.392 0.009 19872 4021 1 8 . 1 1 71 71 ASN CB C 71 38.800 38.800 37.270 1.530 19872 4022 1 8 . 1 1 72 72 ALA N N 72 119.900 119.900 123.728 -3.828 19872 4023 1 8 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.087 -0.106 19872 4024 1 8 . 1 1 72 72 ALA C C 72 179.700 179.700 179.687 0.013 19872 4025 1 8 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.569 0.231 19872 4026 1 8 . 1 1 72 72 ALA CB C 72 17.700 17.700 17.967 -0.267 19872 4027 1 8 . 1 1 73 73 VAL N N 73 115.700 115.700 115.375 0.325 19872 4028 1 8 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.641 -0.301 19872 4029 1 8 . 1 1 73 73 VAL C C 73 176.300 176.300 177.418 -1.118 19872 4030 1 8 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.677 0.523 19872 4031 1 8 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.374 -0.274 19872 4032 1 8 . 1 1 74 74 VAL N N 74 118.100 118.100 121.264 -3.164 19872 4033 1 8 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.523 -0.193 19872 4034 1 8 . 1 1 74 74 VAL C C 74 178.800 178.800 178.263 0.537 19872 4035 1 8 . 1 1 74 74 VAL CA C 74 66.100 66.100 66.190 -0.090 19872 4036 1 8 . 1 1 74 74 VAL CB C 74 31.100 31.100 30.927 0.173 19872 4037 1 8 . 1 1 75 75 GLN N N 75 119.000 119.000 119.465 -0.465 19872 4038 1 8 . 1 1 75 75 GLN HA H 75 3.910 3.910 4.012 -0.102 19872 4039 1 8 . 1 1 75 75 GLN C C 75 178.500 178.500 178.831 -0.331 19872 4040 1 8 . 1 1 75 75 GLN CA C 75 57.900 57.900 58.541 -0.640 19872 4041 1 8 . 1 1 75 75 GLN CB C 75 27.100 27.100 27.866 -0.766 19872 4042 1 8 . 1 1 76 76 ILE N N 76 120.600 120.600 120.699 -0.099 19872 4043 1 8 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.423 -0.103 19872 4044 1 8 . 1 1 76 76 ILE C C 76 177.600 177.600 178.298 -0.698 19872 4045 1 8 . 1 1 76 76 ILE CA C 76 64.700 64.700 65.266 -0.566 19872 4046 1 8 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.580 -0.680 19872 4047 1 8 . 1 1 77 77 LEU N N 77 117.800 117.800 119.907 -2.107 19872 4048 1 8 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.923 -0.193 19872 4049 1 8 . 1 1 77 77 LEU C C 77 178.400 178.400 179.001 -0.601 19872 4050 1 8 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.499 -0.400 19872 4051 1 8 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.478 -2.078 19872 4052 1 8 . 1 1 78 78 ARG N N 78 118.800 118.800 119.658 -0.858 19872 4053 1 8 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.269 -0.189 19872 4054 1 8 . 1 1 78 78 ARG C C 78 180.800 180.800 179.424 1.376 19872 4055 1 8 . 1 1 78 78 ARG CA C 78 58.900 58.900 59.108 -0.208 19872 4056 1 8 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.840 -0.540 19872 4057 1 8 . 1 1 79 79 LEU N N 79 123.200 123.200 121.514 1.686 19872 4058 1 8 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.034 -0.144 19872 4059 1 8 . 1 1 79 79 LEU C C 79 178.200 178.200 178.735 -0.535 19872 4060 1 8 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.575 -0.075 19872 4061 1 8 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.810 -0.310 19872 4062 1 8 . 1 1 80 80 HIS N N 80 112.200 112.200 115.212 -3.012 19872 4063 1 8 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.593 -0.493 19872 4064 1 8 . 1 1 80 80 HIS C C 80 176.000 176.000 176.612 -0.612 19872 4065 1 8 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.707 0.293 19872 4066 1 8 . 1 1 80 80 HIS CB C 80 31.700 31.700 29.953 1.746 19872 4067 1 8 . 1 1 81 81 GLY N N 81 111.700 111.700 107.995 3.705 19872 4068 1 8 . 1 1 81 81 GLY C C 81 174.000 174.000 174.078 -0.078 19872 4069 1 8 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.765 -0.165 19872 4070 1 8 . 1 1 82 82 VAL N N 82 120.400 120.400 121.521 -1.121 19872 4071 1 8 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.296 -0.486 19872 4072 1 8 . 1 1 82 82 VAL C C 82 174.800 174.800 175.362 -0.562 19872 4073 1 8 . 1 1 82 82 VAL CA C 82 62.200 62.200 62.188 0.012 19872 4074 1 8 . 1 1 82 82 VAL CB C 82 29.700 29.700 31.844 -2.144 19872 4075 1 8 . 1 1 83 83 ARG N N 83 126.600 126.600 126.169 0.431 19872 4076 1 8 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.501 -0.141 19872 4077 1 8 . 1 1 83 83 ARG C C 83 176.000 176.000 176.263 -0.263 19872 4078 1 8 . 1 1 83 83 ARG CA C 83 55.600 55.600 56.733 -1.133 19872 4079 1 8 . 1 1 83 83 ARG CB C 83 31.100 31.100 31.476 -0.376 19872 4080 1 8 . 1 1 84 84 ASP N N 84 118.400 118.400 120.911 -2.511 19872 4081 1 8 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.454 0.096 19872 4082 1 8 . 1 1 84 84 ASP C C 84 174.200 174.200 175.257 -1.057 19872 4083 1 8 . 1 1 84 84 ASP CA C 84 53.000 53.000 52.961 0.039 19872 4084 1 8 . 1 1 84 84 ASP CB C 84 40.000 40.000 39.638 0.362 19872 4085 1 8 . 1 1 85 85 TYR N N 85 116.200 116.200 115.681 0.519 19872 4086 1 8 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.860 -0.110 19872 4087 1 8 . 1 1 85 85 TYR C C 85 173.100 173.100 175.790 -2.690 19872 4088 1 8 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.494 -1.494 19872 4089 1 8 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.604 0.596 19872 4090 1 8 . 1 1 86 86 ALA N N 86 125.000 125.000 123.516 1.484 19872 4091 1 8 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.565 -0.345 19872 4092 1 8 . 1 1 86 86 ALA C C 86 174.300 174.300 175.767 -1.467 19872 4093 1 8 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.727 0.073 19872 4094 1 8 . 1 1 86 86 ALA CB C 86 20.400 20.400 19.831 0.569 19872 4095 1 8 . 1 1 87 87 ALA N N 87 124.400 124.400 128.932 -4.532 19872 4096 1 8 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.610 0.560 19872 4097 1 8 . 1 1 87 87 ALA C C 87 175.400 175.400 176.133 -0.733 19872 4098 1 8 . 1 1 87 87 ALA CA C 87 48.900 48.900 51.136 -2.236 19872 4099 1 8 . 1 1 87 87 ALA CB C 87 21.400 21.400 19.355 2.045 19872 4100 1 8 . 1 1 88 88 TYR N N 88 121.100 121.100 124.737 -3.637 19872 4101 1 8 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.398 0.092 19872 4102 1 8 . 1 1 88 88 TYR C C 88 174.100 174.100 175.052 -0.952 19872 4103 1 8 . 1 1 88 88 TYR CA C 88 56.900 56.900 57.624 -0.724 19872 4104 1 8 . 1 1 88 88 TYR CB C 88 40.200 40.200 39.409 0.791 19872 4105 1 8 . 1 1 89 89 ASN N N 89 122.300 122.300 123.746 -1.446 19872 4106 1 8 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.276 -0.086 19872 4107 1 8 . 1 1 89 89 ASN C C 89 178.000 178.000 176.453 1.547 19872 4108 1 8 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.265 -1.465 19872 4109 1 8 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.964 -0.964 19872 4110 1 8 . 1 1 90 90 VAL N N 90 117.900 117.900 121.756 -3.856 19872 4111 1 8 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.176 0.004 19872 4112 1 8 . 1 1 90 90 VAL C C 90 176.700 176.700 176.188 0.512 19872 4113 1 8 . 1 1 90 90 VAL CA C 90 62.200 62.200 62.996 -0.796 19872 4114 1 8 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.301 -0.801 19872 4115 1 8 . 1 1 91 91 LEU N N 91 118.900 118.900 120.888 -1.988 19872 4116 1 8 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.054 0.006 19872 4117 1 8 . 1 1 91 91 LEU C C 91 177.500 177.500 178.667 -1.167 19872 4118 1 8 . 1 1 91 91 LEU CA C 91 56.000 56.000 57.466 -1.466 19872 4119 1 8 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.580 -1.180 19872 4120 1 8 . 1 1 92 92 ASP N N 92 115.500 115.500 118.597 -3.097 19872 4121 1 8 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.567 0.103 19872 4122 1 8 . 1 1 92 92 ASP C C 92 175.500 175.500 175.961 -0.461 19872 4123 1 8 . 1 1 92 92 ASP CA C 92 54.100 54.100 55.813 -1.713 19872 4124 1 8 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.560 -0.560 19872 4125 1 8 . 1 1 93 93 ASP N N 93 115.000 115.000 118.667 -3.667 19872 4126 1 8 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.187 -0.157 19872 4127 1 8 . 1 1 93 93 ASP C C 93 172.800 172.800 174.892 -2.092 19872 4128 1 8 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.751 -1.251 19872 4129 1 8 . 1 1 93 93 ASP CB C 93 41.900 41.900 42.870 -0.970 19872 4130 1 8 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.371 -0.101 19872 4131 1 8 . 1 1 94 94 PRO C C 94 179.300 179.300 178.491 0.809 19872 4132 1 8 . 1 1 94 94 PRO CA C 94 64.100 64.100 64.951 -0.851 19872 4133 1 8 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.416 -0.617 19872 4134 1 8 . 1 1 95 95 GLU N N 95 118.600 118.600 119.408 -0.808 19872 4135 1 8 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.083 -0.043 19872 4136 1 8 . 1 1 95 95 GLU C C 95 179.500 179.500 179.017 0.483 19872 4137 1 8 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.922 -1.322 19872 4138 1 8 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.787 -0.187 19872 4139 1 8 . 1 1 96 96 LEU N N 96 123.800 123.800 120.083 3.717 19872 4140 1 8 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.038 -0.148 19872 4141 1 8 . 1 1 96 96 LEU C C 96 177.200 177.200 178.751 -1.551 19872 4142 1 8 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.380 -0.280 19872 4143 1 8 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.715 -0.415 19872 4144 1 8 . 1 1 97 97 ARG N N 97 117.900 117.900 119.637 -1.737 19872 4145 1 8 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.894 -0.354 19872 4146 1 8 . 1 1 97 97 ARG C C 97 176.400 176.400 178.454 -2.054 19872 4147 1 8 . 1 1 97 97 ARG CA C 97 59.900 59.900 59.963 -0.063 19872 4148 1 8 . 1 1 97 97 ARG CB C 97 30.400 30.400 29.975 0.425 19872 4149 1 8 . 1 1 98 98 GLN N N 98 114.400 114.400 117.967 -3.567 19872 4150 1 8 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.163 -0.343 19872 4151 1 8 . 1 1 98 98 GLN C C 98 177.500 177.500 178.491 -0.991 19872 4152 1 8 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.852 -1.952 19872 4153 1 8 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.618 -0.618 19872 4154 1 8 . 1 1 99 99 GLY N N 99 107.700 107.700 108.660 -0.960 19872 4155 1 8 . 1 1 99 99 GLY C C 99 176.700 176.700 176.148 0.552 19872 4156 1 8 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.395 -0.895 19872 4157 1 8 . 1 1 100 100 ILE N N 100 120.900 120.900 122.280 -1.380 19872 4158 1 8 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.902 0.078 19872 4159 1 8 . 1 1 100 100 ILE C C 100 176.800 176.800 177.612 -0.812 19872 4160 1 8 . 1 1 100 100 ILE CA C 100 60.500 60.500 61.101 -0.601 19872 4161 1 8 . 1 1 100 100 ILE CB C 100 37.500 37.500 38.165 -0.665 19872 4162 1 8 . 1 1 101 101 LYS N N 101 124.600 124.600 120.801 3.799 19872 4163 1 8 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.287 -0.207 19872 4164 1 8 . 1 1 101 101 LYS C C 101 178.900 178.900 178.590 0.310 19872 4165 1 8 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.695 -0.995 19872 4166 1 8 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.194 -0.394 19872 4167 1 8 . 1 1 102 102 ASP N N 102 118.700 118.700 118.781 -0.081 19872 4168 1 8 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.491 -0.241 19872 4169 1 8 . 1 1 102 102 ASP C C 102 177.700 177.700 178.934 -1.234 19872 4170 1 8 . 1 1 102 102 ASP CA C 102 56.200 56.200 56.720 -0.520 19872 4171 1 8 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.080 -1.380 19872 4172 1 8 . 1 1 103 103 TYR N N 103 120.300 120.300 120.027 0.273 19872 4173 1 8 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.122 -0.062 19872 4174 1 8 . 1 1 103 103 TYR C C 103 176.600 176.600 177.261 -0.661 19872 4175 1 8 . 1 1 103 103 TYR CA C 103 60.500 60.500 61.203 -0.703 19872 4176 1 8 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.953 0.948 19872 4177 1 8 . 1 1 104 104 SER N N 104 110.900 110.900 111.574 -0.674 19872 4178 1 8 . 1 1 104 104 SER HA H 104 3.900 3.900 4.227 -0.327 19872 4179 1 8 . 1 1 104 104 SER C C 104 174.600 174.600 174.101 0.499 19872 4180 1 8 . 1 1 104 104 SER CA C 104 57.700 57.700 58.320 -0.620 19872 4181 1 8 . 1 1 104 104 SER CB C 104 63.900 63.900 63.329 0.571 19872 4182 1 8 . 1 1 105 105 ASN N N 105 117.900 117.900 116.468 1.432 19872 4183 1 8 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.563 -0.363 19872 4184 1 8 . 1 1 105 105 ASN C C 105 173.200 173.200 174.206 -1.006 19872 4185 1 8 . 1 1 105 105 ASN CA C 105 53.800 53.800 55.122 -1.322 19872 4186 1 8 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.285 -1.085 19872 4187 1 8 . 1 1 106 106 TRP N N 106 120.600 120.600 118.324 2.276 19872 4188 1 8 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.062 0.018 19872 4189 1 8 . 1 1 106 106 TRP C C 106 175.400 175.400 175.027 0.373 19872 4190 1 8 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.163 -1.663 19872 4191 1 8 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.379 -0.379 19872 4192 1 8 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.362 -0.192 19872 4193 1 8 . 1 1 107 107 PRO C C 107 175.900 175.900 176.786 -0.886 19872 4194 1 8 . 1 1 107 107 PRO CA C 107 63.700 63.700 64.832 -1.132 19872 4195 1 8 . 1 1 107 107 PRO CB C 107 31.600 31.600 31.960 -0.360 19872 4196 1 8 . 1 1 108 108 THR N N 108 110.500 110.500 106.062 4.438 19872 4197 1 8 . 1 1 108 108 THR HA H 108 4.300 4.300 4.443 -0.143 19872 4198 1 8 . 1 1 108 108 THR C C 108 171.400 171.400 174.519 -3.119 19872 4199 1 8 . 1 1 108 108 THR CA C 108 60.400 60.400 61.440 -1.040 19872 4200 1 8 . 1 1 108 108 THR CB C 108 70.400 70.400 70.314 0.086 19872 4201 1 8 . 1 1 109 109 ILE N N 109 123.100 123.100 124.710 -1.610 19872 4202 1 8 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.211 0.049 19872 4203 1 8 . 1 1 109 109 ILE C C 109 175.000 175.000 174.265 0.735 19872 4204 1 8 . 1 1 109 109 ILE CA C 109 55.900 55.900 58.562 -2.662 19872 4205 1 8 . 1 1 109 109 ILE CB C 109 40.100 40.100 37.553 2.547 19872 4206 1 8 . 1 1 110 110 PRO HA H 110 5.340 5.340 5.097 0.243 19872 4207 1 8 . 1 1 110 110 PRO C C 110 175.600 175.600 175.497 0.103 19872 4208 1 8 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.355 -0.855 19872 4209 1 8 . 1 1 110 110 PRO CB C 110 37.500 37.500 33.646 3.854 19872 4210 1 8 . 1 1 111 111 GLN N N 111 114.700 114.700 117.832 -3.132 19872 4211 1 8 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.138 -0.208 19872 4212 1 8 . 1 1 111 111 GLN C C 111 174.100 174.100 173.556 0.544 19872 4213 1 8 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.053 1.347 19872 4214 1 8 . 1 1 111 111 GLN CB C 111 33.900 33.900 32.550 1.350 19872 4215 1 8 . 1 1 112 112 VAL N N 112 121.000 121.000 119.250 1.750 19872 4216 1 8 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.159 -0.379 19872 4217 1 8 . 1 1 112 112 VAL C C 112 172.300 172.300 173.458 -1.158 19872 4218 1 8 . 1 1 112 112 VAL CA C 112 61.200 61.200 60.509 0.691 19872 4219 1 8 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.800 -2.300 19872 4220 1 8 . 1 1 113 113 TYR N N 113 128.400 128.400 126.252 2.148 19872 4221 1 8 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.366 -0.396 19872 4222 1 8 . 1 1 113 113 TYR C C 113 173.800 173.800 174.593 -0.793 19872 4223 1 8 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.544 0.156 19872 4224 1 8 . 1 1 113 113 TYR CB C 113 41.000 41.000 40.814 0.186 19872 4225 1 8 . 1 1 114 114 LEU N N 114 117.900 117.900 123.899 -5.999 19872 4226 1 8 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.239 0.091 19872 4227 1 8 . 1 1 114 114 LEU C C 114 178.300 178.300 177.466 0.834 19872 4228 1 8 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.735 -1.635 19872 4229 1 8 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.780 -0.480 19872 4230 1 8 . 1 1 115 115 ASN N N 115 125.000 125.000 123.334 1.666 19872 4231 1 8 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.410 0.090 19872 4232 1 8 . 1 1 115 115 ASN C C 115 175.500 175.500 175.882 -0.382 19872 4233 1 8 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.066 -1.366 19872 4234 1 8 . 1 1 115 115 ASN CB C 115 38.700 38.700 38.114 0.586 19872 4235 1 8 . 1 1 116 116 GLY N N 116 105.000 105.000 102.982 2.018 19872 4236 1 8 . 1 1 116 116 GLY C C 116 172.900 172.900 173.201 -0.301 19872 4237 1 8 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.773 -0.673 19872 4238 1 8 . 1 1 117 117 GLU N N 117 118.900 118.900 120.298 -1.398 19872 4239 1 8 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.795 -0.045 19872 4240 1 8 . 1 1 117 117 GLU C C 117 174.700 174.700 175.267 -0.567 19872 4241 1 8 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.467 -0.467 19872 4242 1 8 . 1 1 117 117 GLU CB C 117 31.600 31.600 32.072 -0.471 19872 4243 1 8 . 1 1 118 118 PHE N N 118 124.400 124.400 125.334 -0.934 19872 4244 1 8 . 1 1 118 118 PHE HA H 118 3.190 3.190 3.889 -0.699 19872 4245 1 8 . 1 1 118 118 PHE C C 118 175.500 175.500 175.060 0.440 19872 4246 1 8 . 1 1 118 118 PHE CA C 118 57.500 57.500 58.202 -0.702 19872 4247 1 8 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.212 -1.112 19872 4248 1 8 . 1 1 119 119 VAL N N 119 126.900 126.900 125.960 0.940 19872 4249 1 8 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.068 -0.358 19872 4250 1 8 . 1 1 119 119 VAL C C 119 174.200 174.200 174.287 -0.087 19872 4251 1 8 . 1 1 119 119 VAL CA C 119 61.900 61.900 62.024 -0.124 19872 4252 1 8 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.735 -2.335 19872 4253 1 8 . 1 1 120 120 GLY N N 120 101.400 101.400 105.629 -4.229 19872 4254 1 8 . 1 1 120 120 GLY CA C 120 44.100 44.100 44.780 -0.680 19872 4255 1 8 . 1 1 121 121 GLY N N 121 106.300 106.300 106.551 -0.251 19872 4256 1 8 . 1 1 121 121 GLY C C 121 173.100 173.100 174.900 -1.800 19872 4257 1 8 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.685 -0.485 19872 4258 1 8 . 1 1 122 122 CYS N N 122 119.400 119.400 119.222 0.178 19872 4259 1 8 . 1 1 122 122 CYS HA H 122 3.660 3.660 3.993 -0.333 19872 4260 1 8 . 1 1 122 122 CYS C C 122 174.800 174.800 176.084 -1.284 19872 4261 1 8 . 1 1 122 122 CYS CA C 122 61.800 61.800 62.708 -0.908 19872 4262 1 8 . 1 1 122 122 CYS CB C 122 26.600 26.600 27.569 -0.969 19872 4263 1 8 . 1 1 123 123 ASP N N 123 117.700 117.700 119.722 -2.022 19872 4264 1 8 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.437 -0.197 19872 4265 1 8 . 1 1 123 123 ASP C C 123 179.100 179.100 177.365 1.735 19872 4266 1 8 . 1 1 123 123 ASP CA C 123 57.700 57.700 56.951 0.749 19872 4267 1 8 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.828 -1.628 19872 4268 1 8 . 1 1 124 124 ILE N N 124 120.700 120.700 119.349 1.351 19872 4269 1 8 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.853 -0.133 19872 4270 1 8 . 1 1 124 124 ILE C C 124 177.200 177.200 177.959 -0.759 19872 4271 1 8 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.272 0.828 19872 4272 1 8 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.438 -0.438 19872 4273 1 8 . 1 1 125 125 LEU N N 125 122.000 122.000 121.915 0.085 19872 4274 1 8 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.989 -0.159 19872 4275 1 8 . 1 1 125 125 LEU C C 125 178.800 178.800 178.436 0.364 19872 4276 1 8 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.359 -0.959 19872 4277 1 8 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.631 -0.831 19872 4278 1 8 . 1 1 126 126 LEU N N 126 118.200 118.200 116.092 2.108 19872 4279 1 8 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.103 -0.143 19872 4280 1 8 . 1 1 126 126 LEU C C 126 179.100 179.100 178.155 0.945 19872 4281 1 8 . 1 1 126 126 LEU CA C 126 57.800 57.800 56.678 1.122 19872 4282 1 8 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.810 -0.011 19872 4283 1 8 . 1 1 127 127 GLN N N 127 119.900 119.900 117.678 2.222 19872 4284 1 8 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.235 -0.265 19872 4285 1 8 . 1 1 127 127 GLN C C 127 178.200 178.200 178.041 0.159 19872 4286 1 8 . 1 1 127 127 GLN CA C 127 59.000 59.000 57.920 1.079 19872 4287 1 8 . 1 1 127 127 GLN CB C 127 27.900 27.900 29.031 -1.131 19872 4288 1 8 . 1 1 128 128 MET N N 128 117.500 117.500 118.563 -1.063 19872 4289 1 8 . 1 1 128 128 MET HA H 128 4.360 4.360 4.593 -0.233 19872 4290 1 8 . 1 1 128 128 MET C C 128 179.600 179.600 179.024 0.576 19872 4291 1 8 . 1 1 128 128 MET CA C 128 57.800 57.800 58.469 -0.669 19872 4292 1 8 . 1 1 128 128 MET CB C 128 33.500 33.500 32.845 0.655 19872 4293 1 8 . 1 1 129 129 HIS N N 129 122.300 122.300 119.815 2.485 19872 4294 1 8 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.307 0.043 19872 4295 1 8 . 1 1 129 129 HIS C C 129 177.000 177.000 177.653 -0.653 19872 4296 1 8 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.066 -0.866 19872 4297 1 8 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.736 1.363 19872 4298 1 8 . 1 1 130 130 GLN N N 130 116.700 116.700 117.115 -0.415 19872 4299 1 8 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.062 -0.302 19872 4300 1 8 . 1 1 130 130 GLN C C 130 177.600 177.600 177.851 -0.251 19872 4301 1 8 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.447 0.353 19872 4302 1 8 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.279 -0.979 19872 4303 1 8 . 1 1 131 131 ASN N N 131 114.200 114.200 117.408 -3.208 19872 4304 1 8 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.597 0.023 19872 4305 1 8 . 1 1 131 131 ASN C C 131 176.600 176.600 176.452 0.148 19872 4306 1 8 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.889 -1.589 19872 4307 1 8 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.796 -1.796 19872 4308 1 8 . 1 1 132 132 GLY N N 132 106.600 106.600 108.798 -2.198 19872 4309 1 8 . 1 1 132 132 GLY C C 132 175.300 175.300 175.451 -0.151 19872 4310 1 8 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.127 0.073 19872 4311 1 8 . 1 1 133 133 ASP N N 133 122.900 122.900 122.578 0.322 19872 4312 1 8 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.452 -0.082 19872 4313 1 8 . 1 1 133 133 ASP C C 133 178.700 178.700 177.710 0.990 19872 4314 1 8 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.441 0.258 19872 4315 1 8 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.341 -0.341 19872 4316 1 8 . 1 1 134 134 LEU N N 134 118.900 118.900 119.127 -0.227 19872 4317 1 8 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.048 -0.268 19872 4318 1 8 . 1 1 134 134 LEU C C 134 177.300 177.300 178.047 -0.747 19872 4319 1 8 . 1 1 134 134 LEU CA C 134 57.300 57.300 57.292 0.008 19872 4320 1 8 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.606 -1.606 19872 4321 1 8 . 1 1 135 135 VAL N N 135 116.600 116.600 119.198 -2.598 19872 4322 1 8 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.671 -0.271 19872 4323 1 8 . 1 1 135 135 VAL C C 135 178.300 178.300 178.289 0.011 19872 4324 1 8 . 1 1 135 135 VAL CA C 135 66.800 66.800 65.621 1.179 19872 4325 1 8 . 1 1 135 135 VAL CB C 135 31.200 31.200 30.500 0.700 19872 4326 1 8 . 1 1 136 136 GLU N N 136 118.600 118.600 119.876 -1.276 19872 4327 1 8 . 1 1 136 136 GLU HA H 136 4.020 4.020 3.965 0.055 19872 4328 1 8 . 1 1 136 136 GLU C C 136 178.800 178.800 179.161 -0.361 19872 4329 1 8 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.778 -1.778 19872 4330 1 8 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.863 -0.362 19872 4331 1 8 . 1 1 137 137 GLU N N 137 119.500 119.500 120.313 -0.813 19872 4332 1 8 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.109 -0.219 19872 4333 1 8 . 1 1 137 137 GLU C C 137 179.500 179.500 179.129 0.371 19872 4334 1 8 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.883 -0.882 19872 4335 1 8 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.344 -0.744 19872 4336 1 8 . 1 1 138 138 LEU N N 138 117.400 117.400 119.818 -2.418 19872 4337 1 8 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.902 -0.012 19872 4338 1 8 . 1 1 138 138 LEU C C 138 179.200 179.200 178.974 0.226 19872 4339 1 8 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.796 -0.296 19872 4340 1 8 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.741 -2.441 19872 4341 1 8 . 1 1 139 139 LYS N N 139 121.100 121.100 119.311 1.789 19872 4342 1 8 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.059 -0.209 19872 4343 1 8 . 1 1 139 139 LYS C C 139 180.900 180.900 179.852 1.048 19872 4344 1 8 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.461 0.140 19872 4345 1 8 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.245 -0.445 19872 4346 1 8 . 1 1 140 140 LYS N N 140 119.800 119.800 119.898 -0.098 19872 4347 1 8 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.085 -0.145 19872 4348 1 8 . 1 1 140 140 LYS C C 140 177.600 177.600 177.960 -0.360 19872 4349 1 8 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.703 -0.003 19872 4350 1 8 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.310 -0.410 19872 4351 1 8 . 1 1 141 141 LEU N N 141 116.600 116.600 118.098 -1.498 19872 4352 1 8 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.409 -0.089 19872 4353 1 8 . 1 1 141 141 LEU C C 141 176.400 176.400 177.573 -1.173 19872 4354 1 8 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.937 -1.337 19872 4355 1 8 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.589 0.411 19872 4356 1 8 . 1 1 142 142 GLY N N 142 107.200 107.200 107.950 -0.750 19872 4357 1 8 . 1 1 142 142 GLY C C 142 173.900 173.900 174.965 -1.065 19872 4358 1 8 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.857 -0.857 19872 4359 1 8 . 1 1 143 143 ILE N N 143 121.600 121.600 120.711 0.889 19872 4360 1 8 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.000 0.020 19872 4361 1 8 . 1 1 143 143 ILE C C 143 173.900 173.900 175.975 -2.075 19872 4362 1 8 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.580 -1.580 19872 4363 1 8 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.803 -0.103 19872 4364 1 8 . 1 1 144 144 HIS N N 144 128.000 128.000 126.235 1.765 19872 4365 1 8 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.578 -0.238 19872 4366 1 8 . 1 1 144 144 HIS C C 144 173.800 173.800 174.677 -0.877 19872 4367 1 8 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.368 -1.068 19872 4368 1 8 . 1 1 144 144 HIS CB C 144 28.600 28.600 29.802 -1.202 19872 4369 1 8 . 1 1 145 145 SER N N 145 121.400 121.400 123.817 -2.417 19872 4370 1 8 . 1 1 145 145 SER HA H 145 4.470 4.470 4.515 -0.045 19872 4371 1 8 . 1 1 145 145 SER CA C 145 57.800 57.800 58.329 -0.529 19872 4372 1 8 . 1 1 145 145 SER CB C 145 62.200 62.200 63.804 -1.605 19872 4373 1 8 . 1 1 146 146 ALA N N 146 130.100 130.100 131.134 -1.034 19872 4374 1 8 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.271 -0.091 19872 4375 1 8 . 1 1 146 146 ALA C C 146 178.100 178.100 179.406 -1.306 19872 4376 1 8 . 1 1 146 146 ALA CA C 146 52.900 52.900 54.599 -1.699 19872 4377 1 8 . 1 1 146 146 ALA CB C 146 17.700 17.700 18.987 -1.287 19872 4378 1 8 . 1 1 147 147 LEU N N 147 117.800 117.800 117.683 0.117 19872 4379 1 8 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.069 -0.009 19872 4380 1 8 . 1 1 147 147 LEU C C 147 177.700 177.700 178.516 -0.816 19872 4381 1 8 . 1 1 147 147 LEU CA C 147 55.100 55.100 55.578 -0.478 19872 4382 1 8 . 1 1 147 147 LEU CB C 147 40.400 40.400 40.853 -0.453 19872 4383 1 8 . 1 1 148 148 LEU N N 148 120.100 120.100 120.939 -0.839 19872 4384 1 8 . 1 1 148 148 LEU HA H 148 4.180 4.180 3.911 0.269 19872 4385 1 8 . 1 1 148 148 LEU C C 148 176.500 176.500 178.147 -1.647 19872 4386 1 8 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.735 -3.035 19872 4387 1 8 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.751 0.249 19872 4388 1 8 . 1 1 149 149 ASP N N 149 121.900 121.900 117.208 4.692 19872 4389 1 8 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.755 -0.155 19872 4390 1 8 . 1 1 149 149 ASP C C 149 174.800 174.800 175.589 -0.789 19872 4391 1 8 . 1 1 149 149 ASP CA C 149 53.900 53.900 54.048 -0.148 19872 4392 1 8 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.388 -0.788 19872 4393 1 9 . 1 1 2 2 SER HA H 2 4.360 4.360 4.182 0.178 19872 4394 1 9 . 1 1 2 2 SER C C 2 173.800 173.800 174.955 -1.155 19872 4395 1 9 . 1 1 2 2 SER CA C 2 58.000 58.000 59.110 -1.110 19872 4396 1 9 . 1 1 2 2 SER CB C 2 63.100 63.100 62.976 0.124 19872 4397 1 9 . 1 1 3 3 PHE N N 3 122.000 122.000 117.285 4.715 19872 4398 1 9 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.410 0.200 19872 4399 1 9 . 1 1 3 3 PHE C C 3 175.300 175.300 175.082 0.218 19872 4400 1 9 . 1 1 3 3 PHE CA C 3 57.300 57.300 58.675 -1.375 19872 4401 1 9 . 1 1 3 3 PHE CB C 3 39.300 39.300 36.639 2.661 19872 4402 1 9 . 1 1 4 4 THR N N 4 116.900 116.900 111.473 5.427 19872 4403 1 9 . 1 1 4 4 THR HA H 4 4.180 4.180 4.601 -0.421 19872 4404 1 9 . 1 1 4 4 THR C C 4 173.800 173.800 174.362 -0.562 19872 4405 1 9 . 1 1 4 4 THR CA C 4 61.000 61.000 61.281 -0.281 19872 4406 1 9 . 1 1 4 4 THR CB C 4 69.300 69.300 71.336 -2.036 19872 4407 1 9 . 1 1 36 36 ALA N N 36 123.600 123.600 123.035 0.565 19872 4408 1 9 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.112 0.118 19872 4409 1 9 . 1 1 36 36 ALA C C 36 178.100 178.100 177.012 1.088 19872 4410 1 9 . 1 1 36 36 ALA CA C 36 52.000 52.000 52.000 -0.000 19872 4411 1 9 . 1 1 36 36 ALA CB C 36 18.700 18.700 18.410 0.290 19872 4412 1 9 . 1 1 37 37 GLY N N 37 108.200 108.200 105.261 2.939 19872 4413 1 9 . 1 1 37 37 GLY C C 37 174.500 174.500 174.593 -0.093 19872 4414 1 9 . 1 1 37 37 GLY CA C 37 44.800 44.800 44.431 0.369 19872 4415 1 9 . 1 1 38 38 GLY N N 38 108.200 108.200 106.355 1.845 19872 4416 1 9 . 1 1 38 38 GLY C C 38 174.500 174.500 175.817 -1.317 19872 4417 1 9 . 1 1 38 38 GLY CA C 38 44.700 44.700 44.992 -0.292 19872 4418 1 9 . 1 1 39 39 GLY N N 39 108.600 108.600 110.009 -1.409 19872 4419 1 9 . 1 1 39 39 GLY C C 39 174.100 174.100 174.593 -0.493 19872 4420 1 9 . 1 1 39 39 GLY CA C 39 44.800 44.800 45.644 -0.844 19872 4421 1 9 . 1 1 40 40 GLY N N 40 107.700 107.700 107.029 0.671 19872 4422 1 9 . 1 1 40 40 GLY C C 40 174.100 174.100 172.919 1.181 19872 4423 1 9 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.719 -0.019 19872 4424 1 9 . 1 1 41 41 SER N N 41 115.700 115.700 113.349 2.351 19872 4425 1 9 . 1 1 41 41 SER HA H 41 4.220 4.220 4.079 0.141 19872 4426 1 9 . 1 1 41 41 SER C C 41 174.800 174.800 175.347 -0.547 19872 4427 1 9 . 1 1 41 41 SER CA C 41 58.400 58.400 58.647 -0.247 19872 4428 1 9 . 1 1 41 41 SER CB C 41 63.100 63.100 63.788 -0.689 19872 4429 1 9 . 1 1 42 42 ALA N N 42 124.700 124.700 123.720 0.980 19872 4430 1 9 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.259 -0.309 19872 4431 1 9 . 1 1 42 42 ALA C C 42 178.800 178.800 179.097 -0.297 19872 4432 1 9 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.134 -0.434 19872 4433 1 9 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.898 -1.198 19872 4434 1 9 . 1 1 43 43 GLU N N 43 116.700 116.700 117.362 -0.662 19872 4435 1 9 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.049 -0.099 19872 4436 1 9 . 1 1 43 43 GLU C C 43 178.800 178.800 178.833 -0.033 19872 4437 1 9 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.662 -0.162 19872 4438 1 9 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.825 -0.225 19872 4439 1 9 . 1 1 44 44 GLN N N 44 119.400 119.400 121.015 -1.615 19872 4440 1 9 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.347 -0.377 19872 4441 1 9 . 1 1 44 44 GLN C C 44 178.200 178.200 178.375 -0.175 19872 4442 1 9 . 1 1 44 44 GLN CA C 44 57.600 57.600 57.833 -0.233 19872 4443 1 9 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.628 -0.528 19872 4444 1 9 . 1 1 45 45 LEU N N 45 121.700 121.700 119.985 1.715 19872 4445 1 9 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.738 -0.168 19872 4446 1 9 . 1 1 45 45 LEU C C 45 177.300 177.300 178.821 -1.521 19872 4447 1 9 . 1 1 45 45 LEU CA C 45 56.500 56.500 57.818 -1.318 19872 4448 1 9 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.497 -0.997 19872 4449 1 9 . 1 1 46 46 ASP N N 46 118.000 118.000 119.439 -1.439 19872 4450 1 9 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.369 -0.339 19872 4451 1 9 . 1 1 46 46 ASP C C 46 176.800 176.800 177.971 -1.171 19872 4452 1 9 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.524 -0.924 19872 4453 1 9 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.856 0.744 19872 4454 1 9 . 1 1 47 47 ALA N N 47 116.100 116.100 121.298 -5.198 19872 4455 1 9 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.197 -0.307 19872 4456 1 9 . 1 1 47 47 ALA C C 47 180.300 180.300 178.960 1.340 19872 4457 1 9 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.481 -0.481 19872 4458 1 9 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.348 -0.948 19872 4459 1 9 . 1 1 48 48 LEU N N 48 117.800 117.800 118.431 -0.631 19872 4460 1 9 . 1 1 48 48 LEU HA H 48 3.840 3.840 4.068 -0.228 19872 4461 1 9 . 1 1 48 48 LEU C C 48 180.100 180.100 178.934 1.166 19872 4462 1 9 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.508 -0.108 19872 4463 1 9 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.639 -0.739 19872 4464 1 9 . 1 1 49 49 VAL N N 49 112.100 112.100 114.613 -2.513 19872 4465 1 9 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.938 -0.058 19872 4466 1 9 . 1 1 49 49 VAL C C 49 176.000 176.000 178.001 -2.001 19872 4467 1 9 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.852 -1.652 19872 4468 1 9 . 1 1 49 49 VAL CB C 49 31.000 31.000 30.747 0.253 19872 4469 1 9 . 1 1 50 50 LYS N N 50 115.400 115.400 119.616 -4.216 19872 4470 1 9 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.501 -0.341 19872 4471 1 9 . 1 1 50 50 LYS C C 50 177.900 177.900 177.524 0.376 19872 4472 1 9 . 1 1 50 50 LYS CA C 50 56.200 56.200 56.353 -0.153 19872 4473 1 9 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.671 0.729 19872 4474 1 9 . 1 1 51 51 LYS N N 51 119.000 119.000 117.787 1.213 19872 4475 1 9 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.279 -0.359 19872 4476 1 9 . 1 1 51 51 LYS C C 51 174.700 174.700 176.437 -1.737 19872 4477 1 9 . 1 1 51 51 LYS CA C 51 58.000 58.000 58.814 -0.814 19872 4478 1 9 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.968 -0.668 19872 4479 1 9 . 1 1 52 52 ASP N N 52 113.400 113.400 117.336 -3.936 19872 4480 1 9 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.583 0.407 19872 4481 1 9 . 1 1 52 52 ASP C C 52 174.400 174.400 174.864 -0.464 19872 4482 1 9 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.792 -0.992 19872 4483 1 9 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.869 1.731 19872 4484 1 9 . 1 1 53 53 LYS N N 53 119.500 119.500 118.410 1.090 19872 4485 1 9 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.231 -0.221 19872 4486 1 9 . 1 1 53 53 LYS C C 53 176.100 176.100 176.585 -0.485 19872 4487 1 9 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.185 2.615 19872 4488 1 9 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.668 -0.068 19872 4489 1 9 . 1 1 54 54 VAL N N 54 117.700 117.700 117.507 0.193 19872 4490 1 9 . 1 1 54 54 VAL HA H 54 4.620 4.620 5.032 -0.412 19872 4491 1 9 . 1 1 54 54 VAL C C 54 173.700 173.700 174.420 -0.720 19872 4492 1 9 . 1 1 54 54 VAL CA C 54 60.900 60.900 60.526 0.374 19872 4493 1 9 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.007 -1.707 19872 4494 1 9 . 1 1 55 55 VAL N N 55 127.100 127.100 123.896 3.204 19872 4495 1 9 . 1 1 55 55 VAL HA H 55 4.950 4.950 5.075 -0.125 19872 4496 1 9 . 1 1 55 55 VAL C C 55 174.400 174.400 174.603 -0.203 19872 4497 1 9 . 1 1 55 55 VAL CA C 55 60.600 60.600 60.185 0.415 19872 4498 1 9 . 1 1 55 55 VAL CB C 55 35.200 35.200 34.194 1.006 19872 4499 1 9 . 1 1 56 56 VAL N N 56 119.700 119.700 126.040 -6.340 19872 4500 1 9 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.213 0.227 19872 4501 1 9 . 1 1 56 56 VAL C C 56 173.400 173.400 174.281 -0.881 19872 4502 1 9 . 1 1 56 56 VAL CA C 56 58.000 58.000 60.811 -2.811 19872 4503 1 9 . 1 1 56 56 VAL CB C 56 34.800 34.800 35.427 -0.627 19872 4504 1 9 . 1 1 57 57 PHE N N 57 122.400 122.400 125.074 -2.674 19872 4505 1 9 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.127 0.083 19872 4506 1 9 . 1 1 57 57 PHE C C 57 174.800 174.800 174.118 0.682 19872 4507 1 9 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.425 -1.025 19872 4508 1 9 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.207 -0.507 19872 4509 1 9 . 1 1 58 58 LEU N N 58 120.500 120.500 120.780 -0.280 19872 4510 1 9 . 1 1 58 58 LEU HA H 58 4.700 4.700 5.069 -0.369 19872 4511 1 9 . 1 1 58 58 LEU C C 58 175.500 175.500 176.001 -0.501 19872 4512 1 9 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.480 -0.480 19872 4513 1 9 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.700 -0.600 19872 4514 1 9 . 1 1 59 59 LYS N N 59 117.800 117.800 120.311 -2.511 19872 4515 1 9 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.371 -0.021 19872 4516 1 9 . 1 1 59 59 LYS C C 59 175.200 175.200 176.088 -0.888 19872 4517 1 9 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.273 -0.173 19872 4518 1 9 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.433 0.866 19872 4519 1 9 . 1 1 60 60 GLY N N 60 114.800 114.800 109.951 4.849 19872 4520 1 9 . 1 1 60 60 GLY C C 60 170.300 170.300 172.484 -2.184 19872 4521 1 9 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.451 -1.551 19872 4522 1 9 . 1 1 61 61 THR N N 61 107.800 107.800 111.221 -3.421 19872 4523 1 9 . 1 1 61 61 THR HA H 61 4.740 4.740 4.946 -0.206 19872 4524 1 9 . 1 1 61 61 THR C C 61 173.100 173.100 172.673 0.427 19872 4525 1 9 . 1 1 61 61 THR CA C 61 57.400 57.400 58.382 -0.982 19872 4526 1 9 . 1 1 61 61 THR CB C 61 68.800 68.800 71.379 -2.579 19872 4527 1 9 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.338 -0.368 19872 4528 1 9 . 1 1 62 62 PRO C C 62 177.200 177.200 177.676 -0.476 19872 4529 1 9 . 1 1 62 62 PRO CA C 62 64.900 64.900 65.366 -0.466 19872 4530 1 9 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.136 -1.036 19872 4531 1 9 . 1 1 63 63 GLU N N 63 111.900 111.900 116.253 -4.353 19872 4532 1 9 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.332 -0.392 19872 4533 1 9 . 1 1 63 63 GLU C C 63 176.500 176.500 176.794 -0.294 19872 4534 1 9 . 1 1 63 63 GLU CA C 63 58.100 58.100 56.753 1.347 19872 4535 1 9 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.116 0.083 19872 4536 1 9 . 1 1 64 64 GLN N N 64 117.700 117.700 121.061 -3.361 19872 4537 1 9 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.746 -0.266 19872 4538 1 9 . 1 1 64 64 GLN C C 64 171.500 171.500 174.170 -2.670 19872 4539 1 9 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.595 -0.195 19872 4540 1 9 . 1 1 64 64 GLN CB C 64 29.100 29.100 29.474 -0.374 19872 4541 1 9 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.679 -0.129 19872 4542 1 9 . 1 1 65 65 PRO C C 65 177.900 177.900 176.861 1.039 19872 4543 1 9 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.149 0.851 19872 4544 1 9 . 1 1 65 65 PRO CB C 65 31.700 31.700 30.656 1.044 19872 4545 1 9 . 1 1 66 66 GLN N N 66 119.700 119.700 119.747 -0.047 19872 4546 1 9 . 1 1 66 66 GLN HA H 66 4.500 4.500 3.965 0.535 19872 4547 1 9 . 1 1 66 66 GLN C C 66 174.400 174.400 175.788 -1.388 19872 4548 1 9 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.800 -3.200 19872 4549 1 9 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.397 0.703 19872 4550 1 9 . 1 1 67 67 CYS N N 67 116.700 116.700 115.440 1.260 19872 4551 1 9 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.524 0.176 19872 4552 1 9 . 1 1 67 67 CYS C C 67 176.500 176.500 174.302 2.198 19872 4553 1 9 . 1 1 67 67 CYS CA C 67 58.700 58.700 57.288 1.411 19872 4554 1 9 . 1 1 67 67 CYS CB C 67 32.800 32.800 28.922 3.878 19872 4555 1 9 . 1 1 68 68 GLY C C 68 176.500 176.500 173.575 2.925 19872 4556 1 9 . 1 1 68 68 GLY CA C 68 45.900 45.900 44.955 0.945 19872 4557 1 9 . 1 1 69 69 PHE N N 69 125.800 125.800 111.681 14.119 19872 4558 1 9 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.138 0.572 19872 4559 1 9 . 1 1 69 69 PHE C C 69 178.300 178.300 175.281 3.019 19872 4560 1 9 . 1 1 69 69 PHE CA C 69 59.900 59.900 57.675 2.225 19872 4561 1 9 . 1 1 69 69 PHE CB C 69 37.900 37.900 36.529 1.371 19872 4562 1 9 . 1 1 70 70 SER N N 70 124.200 124.200 115.442 8.758 19872 4563 1 9 . 1 1 70 70 SER HA H 70 3.980 3.980 4.211 -0.231 19872 4564 1 9 . 1 1 70 70 SER CA C 70 63.800 63.800 60.999 2.801 19872 4565 1 9 . 1 1 70 70 SER CB C 70 62.000 62.000 63.855 -1.855 19872 4566 1 9 . 1 1 71 71 ASN N N 71 118.500 118.500 119.827 -1.327 19872 4567 1 9 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.629 -0.479 19872 4568 1 9 . 1 1 71 71 ASN C C 71 175.800 175.800 176.262 -0.462 19872 4569 1 9 . 1 1 71 71 ASN CA C 71 56.400 56.400 54.696 1.704 19872 4570 1 9 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.489 0.311 19872 4571 1 9 . 1 1 72 72 ALA N N 72 119.900 119.900 123.073 -3.173 19872 4572 1 9 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.125 -0.145 19872 4573 1 9 . 1 1 72 72 ALA C C 72 179.700 179.700 179.716 -0.016 19872 4574 1 9 . 1 1 72 72 ALA CA C 72 54.800 54.800 55.025 -0.225 19872 4575 1 9 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.080 -0.380 19872 4576 1 9 . 1 1 73 73 VAL N N 73 115.700 115.700 115.394 0.306 19872 4577 1 9 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.726 -0.386 19872 4578 1 9 . 1 1 73 73 VAL C C 73 176.300 176.300 177.509 -1.209 19872 4579 1 9 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.750 0.450 19872 4580 1 9 . 1 1 73 73 VAL CB C 73 31.100 31.100 30.561 0.539 19872 4581 1 9 . 1 1 74 74 VAL N N 74 118.100 118.100 121.153 -3.053 19872 4582 1 9 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.633 -0.303 19872 4583 1 9 . 1 1 74 74 VAL C C 74 178.800 178.800 178.228 0.572 19872 4584 1 9 . 1 1 74 74 VAL CA C 74 66.100 66.100 66.703 -0.603 19872 4585 1 9 . 1 1 74 74 VAL CB C 74 31.100 31.100 31.276 -0.176 19872 4586 1 9 . 1 1 75 75 GLN N N 75 119.000 119.000 119.620 -0.620 19872 4587 1 9 . 1 1 75 75 GLN HA H 75 3.910 3.910 3.955 -0.045 19872 4588 1 9 . 1 1 75 75 GLN C C 75 178.500 178.500 178.744 -0.244 19872 4589 1 9 . 1 1 75 75 GLN CA C 75 57.900 57.900 59.148 -1.248 19872 4590 1 9 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.330 -1.230 19872 4591 1 9 . 1 1 76 76 ILE N N 76 120.600 120.600 120.065 0.535 19872 4592 1 9 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.511 -0.191 19872 4593 1 9 . 1 1 76 76 ILE C C 76 177.600 177.600 178.327 -0.727 19872 4594 1 9 . 1 1 76 76 ILE CA C 76 64.700 64.700 64.850 -0.150 19872 4595 1 9 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.708 -0.808 19872 4596 1 9 . 1 1 77 77 LEU N N 77 117.800 117.800 119.996 -2.196 19872 4597 1 9 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.961 -0.231 19872 4598 1 9 . 1 1 77 77 LEU C C 77 178.400 178.400 179.188 -0.788 19872 4599 1 9 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.513 -0.413 19872 4600 1 9 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.492 -2.092 19872 4601 1 9 . 1 1 78 78 ARG N N 78 118.800 118.800 119.757 -0.957 19872 4602 1 9 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.312 -0.232 19872 4603 1 9 . 1 1 78 78 ARG C C 78 180.800 180.800 179.507 1.293 19872 4604 1 9 . 1 1 78 78 ARG CA C 78 58.900 58.900 58.824 0.076 19872 4605 1 9 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.819 -0.519 19872 4606 1 9 . 1 1 79 79 LEU N N 79 123.200 123.200 121.825 1.375 19872 4607 1 9 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.045 -0.155 19872 4608 1 9 . 1 1 79 79 LEU C C 79 178.200 178.200 178.680 -0.480 19872 4609 1 9 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.683 -0.183 19872 4610 1 9 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.791 -0.291 19872 4611 1 9 . 1 1 80 80 HIS N N 80 112.200 112.200 114.742 -2.542 19872 4612 1 9 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.577 -0.477 19872 4613 1 9 . 1 1 80 80 HIS C C 80 176.000 176.000 176.440 -0.440 19872 4614 1 9 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.777 0.223 19872 4615 1 9 . 1 1 80 80 HIS CB C 80 31.700 31.700 30.176 1.524 19872 4616 1 9 . 1 1 81 81 GLY N N 81 111.700 111.700 107.701 3.999 19872 4617 1 9 . 1 1 81 81 GLY C C 81 174.000 174.000 173.977 0.023 19872 4618 1 9 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.358 0.242 19872 4619 1 9 . 1 1 82 82 VAL N N 82 120.400 120.400 121.409 -1.009 19872 4620 1 9 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.585 -0.775 19872 4621 1 9 . 1 1 82 82 VAL C C 82 174.800 174.800 175.481 -0.681 19872 4622 1 9 . 1 1 82 82 VAL CA C 82 62.200 62.200 60.890 1.310 19872 4623 1 9 . 1 1 82 82 VAL CB C 82 29.700 29.700 33.251 -3.551 19872 4624 1 9 . 1 1 83 83 ARG N N 83 126.600 126.600 124.353 2.247 19872 4625 1 9 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.535 -0.175 19872 4626 1 9 . 1 1 83 83 ARG C C 83 176.000 176.000 174.614 1.386 19872 4627 1 9 . 1 1 83 83 ARG CA C 83 55.600 55.600 56.201 -0.601 19872 4628 1 9 . 1 1 83 83 ARG CB C 83 31.100 31.100 31.419 -0.319 19872 4629 1 9 . 1 1 84 84 ASP N N 84 118.400 118.400 118.923 -0.523 19872 4630 1 9 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.465 0.085 19872 4631 1 9 . 1 1 84 84 ASP C C 84 174.200 174.200 174.903 -0.703 19872 4632 1 9 . 1 1 84 84 ASP CA C 84 53.000 53.000 52.630 0.370 19872 4633 1 9 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.603 -0.603 19872 4634 1 9 . 1 1 85 85 TYR N N 85 116.200 116.200 118.010 -1.810 19872 4635 1 9 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.913 -0.163 19872 4636 1 9 . 1 1 85 85 TYR C C 85 173.100 173.100 175.452 -2.352 19872 4637 1 9 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.449 -1.449 19872 4638 1 9 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.839 0.361 19872 4639 1 9 . 1 1 86 86 ALA N N 86 125.000 125.000 122.906 2.094 19872 4640 1 9 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.465 -0.245 19872 4641 1 9 . 1 1 86 86 ALA C C 86 174.300 174.300 175.648 -1.348 19872 4642 1 9 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.483 0.317 19872 4643 1 9 . 1 1 86 86 ALA CB C 86 20.400 20.400 19.549 0.851 19872 4644 1 9 . 1 1 87 87 ALA N N 87 124.400 124.400 129.988 -5.588 19872 4645 1 9 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.596 0.574 19872 4646 1 9 . 1 1 87 87 ALA C C 87 175.400 175.400 176.331 -0.931 19872 4647 1 9 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.878 -1.978 19872 4648 1 9 . 1 1 87 87 ALA CB C 87 21.400 21.400 18.792 2.608 19872 4649 1 9 . 1 1 88 88 TYR N N 88 121.100 121.100 124.954 -3.854 19872 4650 1 9 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.266 0.224 19872 4651 1 9 . 1 1 88 88 TYR C C 88 174.100 174.100 175.386 -1.286 19872 4652 1 9 . 1 1 88 88 TYR CA C 88 56.900 56.900 57.874 -0.974 19872 4653 1 9 . 1 1 88 88 TYR CB C 88 40.200 40.200 38.614 1.586 19872 4654 1 9 . 1 1 89 89 ASN N N 89 122.300 122.300 124.821 -2.521 19872 4655 1 9 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.044 0.146 19872 4656 1 9 . 1 1 89 89 ASN C C 89 178.000 178.000 176.836 1.164 19872 4657 1 9 . 1 1 89 89 ASN CA C 89 50.800 50.800 53.172 -2.372 19872 4658 1 9 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.410 -0.410 19872 4659 1 9 . 1 1 90 90 VAL N N 90 117.900 117.900 123.577 -5.677 19872 4660 1 9 . 1 1 90 90 VAL HA H 90 4.180 4.180 3.913 0.267 19872 4661 1 9 . 1 1 90 90 VAL C C 90 176.700 176.700 177.151 -0.451 19872 4662 1 9 . 1 1 90 90 VAL CA C 90 62.200 62.200 65.296 -3.095 19872 4663 1 9 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.852 -1.352 19872 4664 1 9 . 1 1 91 91 LEU N N 91 118.900 118.900 116.671 2.229 19872 4665 1 9 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.096 -0.036 19872 4666 1 9 . 1 1 91 91 LEU C C 91 177.500 177.500 178.298 -0.798 19872 4667 1 9 . 1 1 91 91 LEU CA C 91 56.000 56.000 57.166 -1.166 19872 4668 1 9 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.020 -0.620 19872 4669 1 9 . 1 1 92 92 ASP N N 92 115.500 115.500 118.972 -3.472 19872 4670 1 9 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.657 0.013 19872 4671 1 9 . 1 1 92 92 ASP C C 92 175.500 175.500 176.178 -0.678 19872 4672 1 9 . 1 1 92 92 ASP CA C 92 54.100 54.100 55.854 -1.754 19872 4673 1 9 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.629 -0.629 19872 4674 1 9 . 1 1 93 93 ASP N N 93 115.000 115.000 118.745 -3.745 19872 4675 1 9 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.112 -0.082 19872 4676 1 9 . 1 1 93 93 ASP C C 93 172.800 172.800 175.006 -2.206 19872 4677 1 9 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.602 -1.102 19872 4678 1 9 . 1 1 93 93 ASP CB C 93 41.900 41.900 43.548 -1.648 19872 4679 1 9 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.204 0.066 19872 4680 1 9 . 1 1 94 94 PRO C C 94 179.300 179.300 178.645 0.655 19872 4681 1 9 . 1 1 94 94 PRO CA C 94 64.100 64.100 65.363 -1.263 19872 4682 1 9 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.142 -0.342 19872 4683 1 9 . 1 1 95 95 GLU N N 95 118.600 118.600 118.779 -0.179 19872 4684 1 9 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.077 -0.037 19872 4685 1 9 . 1 1 95 95 GLU C C 95 179.500 179.500 179.139 0.361 19872 4686 1 9 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.356 -0.756 19872 4687 1 9 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.882 -0.282 19872 4688 1 9 . 1 1 96 96 LEU N N 96 123.800 123.800 120.047 3.753 19872 4689 1 9 . 1 1 96 96 LEU HA H 96 3.890 3.890 3.965 -0.075 19872 4690 1 9 . 1 1 96 96 LEU C C 96 177.200 177.200 178.876 -1.676 19872 4691 1 9 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.548 -0.448 19872 4692 1 9 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.721 -0.421 19872 4693 1 9 . 1 1 97 97 ARG N N 97 117.900 117.900 119.543 -1.643 19872 4694 1 9 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.922 -0.382 19872 4695 1 9 . 1 1 97 97 ARG C C 97 176.400 176.400 178.435 -2.035 19872 4696 1 9 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.049 -0.149 19872 4697 1 9 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.242 0.158 19872 4698 1 9 . 1 1 98 98 GLN N N 98 114.400 114.400 117.756 -3.356 19872 4699 1 9 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.114 -0.294 19872 4700 1 9 . 1 1 98 98 GLN C C 98 177.500 177.500 178.393 -0.893 19872 4701 1 9 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.774 -1.874 19872 4702 1 9 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.137 -0.137 19872 4703 1 9 . 1 1 99 99 GLY N N 99 107.700 107.700 109.211 -1.511 19872 4704 1 9 . 1 1 99 99 GLY C C 99 176.700 176.700 176.072 0.628 19872 4705 1 9 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.148 -0.648 19872 4706 1 9 . 1 1 100 100 ILE N N 100 120.900 120.900 122.258 -1.358 19872 4707 1 9 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.874 0.106 19872 4708 1 9 . 1 1 100 100 ILE C C 100 176.800 176.800 177.592 -0.792 19872 4709 1 9 . 1 1 100 100 ILE CA C 100 60.500 60.500 61.018 -0.518 19872 4710 1 9 . 1 1 100 100 ILE CB C 100 37.500 37.500 37.941 -0.441 19872 4711 1 9 . 1 1 101 101 LYS N N 101 124.600 124.600 121.379 3.221 19872 4712 1 9 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.296 -0.216 19872 4713 1 9 . 1 1 101 101 LYS C C 101 178.900 178.900 178.893 0.007 19872 4714 1 9 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.869 -1.169 19872 4715 1 9 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.190 -0.390 19872 4716 1 9 . 1 1 102 102 ASP N N 102 118.700 118.700 119.358 -0.658 19872 4717 1 9 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.484 -0.234 19872 4718 1 9 . 1 1 102 102 ASP C C 102 177.700 177.700 178.861 -1.161 19872 4719 1 9 . 1 1 102 102 ASP CA C 102 56.200 56.200 56.669 -0.468 19872 4720 1 9 . 1 1 102 102 ASP CB C 102 39.700 39.700 40.910 -1.210 19872 4721 1 9 . 1 1 103 103 TYR N N 103 120.300 120.300 121.128 -0.828 19872 4722 1 9 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.163 -0.103 19872 4723 1 9 . 1 1 103 103 TYR C C 103 176.600 176.600 177.064 -0.464 19872 4724 1 9 . 1 1 103 103 TYR CA C 103 60.500 60.500 60.928 -0.428 19872 4725 1 9 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.679 1.221 19872 4726 1 9 . 1 1 104 104 SER N N 104 110.900 110.900 114.564 -3.664 19872 4727 1 9 . 1 1 104 104 SER HA H 104 3.900 3.900 4.292 -0.392 19872 4728 1 9 . 1 1 104 104 SER C C 104 174.600 174.600 174.310 0.290 19872 4729 1 9 . 1 1 104 104 SER CA C 104 57.700 57.700 59.780 -2.080 19872 4730 1 9 . 1 1 104 104 SER CB C 104 63.900 63.900 63.860 0.040 19872 4731 1 9 . 1 1 105 105 ASN N N 105 117.900 117.900 116.275 1.625 19872 4732 1 9 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.349 -0.149 19872 4733 1 9 . 1 1 105 105 ASN C C 105 173.200 173.200 174.041 -0.841 19872 4734 1 9 . 1 1 105 105 ASN CA C 105 53.800 53.800 54.778 -0.978 19872 4735 1 9 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.015 -0.815 19872 4736 1 9 . 1 1 106 106 TRP N N 106 120.600 120.600 118.140 2.460 19872 4737 1 9 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.079 0.001 19872 4738 1 9 . 1 1 106 106 TRP C C 106 175.400 175.400 174.553 0.847 19872 4739 1 9 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.142 -1.642 19872 4740 1 9 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.868 -0.868 19872 4741 1 9 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.463 -0.293 19872 4742 1 9 . 1 1 107 107 PRO C C 107 175.900 175.900 176.339 -0.439 19872 4743 1 9 . 1 1 107 107 PRO CA C 107 63.700 63.700 64.597 -0.896 19872 4744 1 9 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.245 -0.644 19872 4745 1 9 . 1 1 108 108 THR N N 108 110.500 110.500 114.102 -3.602 19872 4746 1 9 . 1 1 108 108 THR HA H 108 4.300 4.300 4.552 -0.252 19872 4747 1 9 . 1 1 108 108 THR C C 108 171.400 171.400 173.181 -1.781 19872 4748 1 9 . 1 1 108 108 THR CA C 108 60.400 60.400 61.888 -1.488 19872 4749 1 9 . 1 1 108 108 THR CB C 108 70.400 70.400 69.537 0.863 19872 4750 1 9 . 1 1 109 109 ILE N N 109 123.100 123.100 123.576 -0.476 19872 4751 1 9 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.787 -0.527 19872 4752 1 9 . 1 1 109 109 ILE C C 109 175.000 175.000 173.515 1.485 19872 4753 1 9 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.770 -1.870 19872 4754 1 9 . 1 1 109 109 ILE CB C 109 40.100 40.100 39.808 0.292 19872 4755 1 9 . 1 1 110 110 PRO HA H 110 5.340 5.340 5.491 -0.151 19872 4756 1 9 . 1 1 110 110 PRO C C 110 175.600 175.600 175.889 -0.289 19872 4757 1 9 . 1 1 110 110 PRO CA C 110 61.500 61.500 61.721 -0.222 19872 4758 1 9 . 1 1 110 110 PRO CB C 110 37.500 37.500 33.014 4.486 19872 4759 1 9 . 1 1 111 111 GLN N N 111 114.700 114.700 120.202 -5.502 19872 4760 1 9 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.079 -0.149 19872 4761 1 9 . 1 1 111 111 GLN C C 111 174.100 174.100 174.594 -0.494 19872 4762 1 9 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.730 0.670 19872 4763 1 9 . 1 1 111 111 GLN CB C 111 33.900 33.900 33.562 0.338 19872 4764 1 9 . 1 1 112 112 VAL N N 112 121.000 121.000 118.878 2.122 19872 4765 1 9 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.176 -0.396 19872 4766 1 9 . 1 1 112 112 VAL C C 112 172.300 172.300 173.884 -1.584 19872 4767 1 9 . 1 1 112 112 VAL CA C 112 61.200 61.200 59.663 1.537 19872 4768 1 9 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.875 -2.375 19872 4769 1 9 . 1 1 113 113 TYR N N 113 128.400 128.400 122.966 5.434 19872 4770 1 9 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.129 -0.159 19872 4771 1 9 . 1 1 113 113 TYR C C 113 173.800 173.800 174.615 -0.815 19872 4772 1 9 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.636 0.063 19872 4773 1 9 . 1 1 113 113 TYR CB C 113 41.000 41.000 41.264 -0.264 19872 4774 1 9 . 1 1 114 114 LEU N N 114 117.900 117.900 123.206 -5.306 19872 4775 1 9 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.268 0.062 19872 4776 1 9 . 1 1 114 114 LEU C C 114 178.300 178.300 177.634 0.666 19872 4777 1 9 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.623 -1.523 19872 4778 1 9 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.628 -0.328 19872 4779 1 9 . 1 1 115 115 ASN N N 115 125.000 125.000 124.289 0.711 19872 4780 1 9 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.563 -0.063 19872 4781 1 9 . 1 1 115 115 ASN C C 115 175.500 175.500 175.556 -0.056 19872 4782 1 9 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.256 -1.556 19872 4783 1 9 . 1 1 115 115 ASN CB C 115 38.700 38.700 37.947 0.753 19872 4784 1 9 . 1 1 116 116 GLY N N 116 105.000 105.000 102.484 2.516 19872 4785 1 9 . 1 1 116 116 GLY C C 116 172.900 172.900 173.206 -0.306 19872 4786 1 9 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.917 -0.817 19872 4787 1 9 . 1 1 117 117 GLU N N 117 118.900 118.900 119.652 -0.752 19872 4788 1 9 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.908 -0.158 19872 4789 1 9 . 1 1 117 117 GLU C C 117 174.700 174.700 175.155 -0.455 19872 4790 1 9 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.043 -0.043 19872 4791 1 9 . 1 1 117 117 GLU CB C 117 31.600 31.600 33.002 -1.402 19872 4792 1 9 . 1 1 118 118 PHE N N 118 124.400 124.400 125.321 -0.921 19872 4793 1 9 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.355 -1.165 19872 4794 1 9 . 1 1 118 118 PHE C C 118 175.500 175.500 175.119 0.381 19872 4795 1 9 . 1 1 118 118 PHE CA C 118 57.500 57.500 57.771 -0.271 19872 4796 1 9 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.708 -1.608 19872 4797 1 9 . 1 1 119 119 VAL N N 119 126.900 126.900 122.993 3.907 19872 4798 1 9 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.201 -0.491 19872 4799 1 9 . 1 1 119 119 VAL C C 119 174.200 174.200 175.086 -0.886 19872 4800 1 9 . 1 1 119 119 VAL CA C 119 61.900 61.900 61.790 0.110 19872 4801 1 9 . 1 1 119 119 VAL CB C 119 32.400 32.400 33.097 -0.697 19872 4802 1 9 . 1 1 120 120 GLY N N 120 101.400 101.400 106.718 -5.318 19872 4803 1 9 . 1 1 120 120 GLY CA C 120 44.100 44.100 44.742 -0.643 19872 4804 1 9 . 1 1 121 121 GLY N N 121 106.300 106.300 105.820 0.480 19872 4805 1 9 . 1 1 121 121 GLY C C 121 173.100 173.100 175.068 -1.968 19872 4806 1 9 . 1 1 121 121 GLY CA C 121 43.200 43.200 44.128 -0.928 19872 4807 1 9 . 1 1 122 122 CYS N N 122 119.400 119.400 119.327 0.073 19872 4808 1 9 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.077 -0.417 19872 4809 1 9 . 1 1 122 122 CYS C C 122 174.800 174.800 176.097 -1.297 19872 4810 1 9 . 1 1 122 122 CYS CA C 122 61.800 61.800 61.335 0.465 19872 4811 1 9 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.572 0.028 19872 4812 1 9 . 1 1 123 123 ASP N N 123 117.700 117.700 119.528 -1.828 19872 4813 1 9 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.230 0.010 19872 4814 1 9 . 1 1 123 123 ASP C C 123 179.100 179.100 177.929 1.171 19872 4815 1 9 . 1 1 123 123 ASP CA C 123 57.700 57.700 56.961 0.739 19872 4816 1 9 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.784 -1.584 19872 4817 1 9 . 1 1 124 124 ILE N N 124 120.700 120.700 119.734 0.966 19872 4818 1 9 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.800 -0.080 19872 4819 1 9 . 1 1 124 124 ILE C C 124 177.200 177.200 177.902 -0.702 19872 4820 1 9 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.556 0.544 19872 4821 1 9 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.330 -0.330 19872 4822 1 9 . 1 1 125 125 LEU N N 125 122.000 122.000 121.955 0.045 19872 4823 1 9 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.957 -0.127 19872 4824 1 9 . 1 1 125 125 LEU C C 125 178.800 178.800 178.758 0.042 19872 4825 1 9 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.513 -1.113 19872 4826 1 9 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.645 -0.845 19872 4827 1 9 . 1 1 126 126 LEU N N 126 118.200 118.200 116.410 1.790 19872 4828 1 9 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.037 -0.077 19872 4829 1 9 . 1 1 126 126 LEU C C 126 179.100 179.100 178.485 0.615 19872 4830 1 9 . 1 1 126 126 LEU CA C 126 57.800 57.800 56.991 0.809 19872 4831 1 9 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.833 -0.033 19872 4832 1 9 . 1 1 127 127 GLN N N 127 119.900 119.900 117.735 2.165 19872 4833 1 9 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.212 -0.242 19872 4834 1 9 . 1 1 127 127 GLN C C 127 178.200 178.200 178.346 -0.146 19872 4835 1 9 . 1 1 127 127 GLN CA C 127 59.000 59.000 57.902 1.098 19872 4836 1 9 . 1 1 127 127 GLN CB C 127 27.900 27.900 29.031 -1.131 19872 4837 1 9 . 1 1 128 128 MET N N 128 117.500 117.500 118.862 -1.362 19872 4838 1 9 . 1 1 128 128 MET HA H 128 4.360 4.360 4.405 -0.045 19872 4839 1 9 . 1 1 128 128 MET C C 128 179.600 179.600 179.012 0.588 19872 4840 1 9 . 1 1 128 128 MET CA C 128 57.800 57.800 58.901 -1.101 19872 4841 1 9 . 1 1 128 128 MET CB C 128 33.500 33.500 32.571 0.929 19872 4842 1 9 . 1 1 129 129 HIS N N 129 122.300 122.300 119.661 2.639 19872 4843 1 9 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.373 -0.023 19872 4844 1 9 . 1 1 129 129 HIS C C 129 177.000 177.000 177.744 -0.744 19872 4845 1 9 . 1 1 129 129 HIS CA C 129 59.200 59.200 59.954 -0.754 19872 4846 1 9 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.771 1.329 19872 4847 1 9 . 1 1 130 130 GLN N N 130 116.700 116.700 117.061 -0.361 19872 4848 1 9 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.120 -0.360 19872 4849 1 9 . 1 1 130 130 GLN C C 130 177.600 177.600 177.693 -0.093 19872 4850 1 9 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.245 0.555 19872 4851 1 9 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.402 -1.103 19872 4852 1 9 . 1 1 131 131 ASN N N 131 114.200 114.200 117.750 -3.550 19872 4853 1 9 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.623 -0.003 19872 4854 1 9 . 1 1 131 131 ASN C C 131 176.600 176.600 176.412 0.188 19872 4855 1 9 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.923 -1.623 19872 4856 1 9 . 1 1 131 131 ASN CB C 131 38.000 38.000 40.037 -2.037 19872 4857 1 9 . 1 1 132 132 GLY N N 132 106.600 106.600 108.775 -2.175 19872 4858 1 9 . 1 1 132 132 GLY C C 132 175.300 175.300 175.269 0.031 19872 4859 1 9 . 1 1 132 132 GLY CA C 132 45.200 45.200 44.965 0.235 19872 4860 1 9 . 1 1 133 133 ASP N N 133 122.900 122.900 122.383 0.517 19872 4861 1 9 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.552 -0.182 19872 4862 1 9 . 1 1 133 133 ASP C C 133 178.700 178.700 177.320 1.380 19872 4863 1 9 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.017 0.683 19872 4864 1 9 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.388 -0.388 19872 4865 1 9 . 1 1 134 134 LEU N N 134 118.900 118.900 118.653 0.247 19872 4866 1 9 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.111 -0.331 19872 4867 1 9 . 1 1 134 134 LEU C C 134 177.300 177.300 177.882 -0.582 19872 4868 1 9 . 1 1 134 134 LEU CA C 134 57.300 57.300 56.831 0.469 19872 4869 1 9 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.758 -1.758 19872 4870 1 9 . 1 1 135 135 VAL N N 135 116.600 116.600 119.469 -2.869 19872 4871 1 9 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.702 -0.302 19872 4872 1 9 . 1 1 135 135 VAL C C 135 178.300 178.300 178.216 0.084 19872 4873 1 9 . 1 1 135 135 VAL CA C 135 66.800 66.800 65.696 1.104 19872 4874 1 9 . 1 1 135 135 VAL CB C 135 31.200 31.200 30.964 0.236 19872 4875 1 9 . 1 1 136 136 GLU N N 136 118.600 118.600 118.381 0.219 19872 4876 1 9 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.098 -0.078 19872 4877 1 9 . 1 1 136 136 GLU C C 136 178.800 178.800 179.108 -0.308 19872 4878 1 9 . 1 1 136 136 GLU CA C 136 58.000 58.000 58.574 -0.574 19872 4879 1 9 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.701 -0.201 19872 4880 1 9 . 1 1 137 137 GLU N N 137 119.500 119.500 120.687 -1.187 19872 4881 1 9 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.182 -0.292 19872 4882 1 9 . 1 1 137 137 GLU C C 137 179.500 179.500 179.238 0.262 19872 4883 1 9 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.536 -0.536 19872 4884 1 9 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.352 -0.752 19872 4885 1 9 . 1 1 138 138 LEU N N 138 117.400 117.400 120.996 -3.596 19872 4886 1 9 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.891 -0.001 19872 4887 1 9 . 1 1 138 138 LEU C C 138 179.200 179.200 178.757 0.443 19872 4888 1 9 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.466 0.034 19872 4889 1 9 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.633 -2.333 19872 4890 1 9 . 1 1 139 139 LYS N N 139 121.100 121.100 119.412 1.688 19872 4891 1 9 . 1 1 139 139 LYS HA H 139 3.850 3.850 3.984 -0.134 19872 4892 1 9 . 1 1 139 139 LYS C C 139 180.900 180.900 179.471 1.429 19872 4893 1 9 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.277 0.323 19872 4894 1 9 . 1 1 139 139 LYS CB C 139 31.800 31.800 31.727 0.073 19872 4895 1 9 . 1 1 140 140 LYS N N 140 119.800 119.800 119.092 0.708 19872 4896 1 9 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.100 -0.160 19872 4897 1 9 . 1 1 140 140 LYS C C 140 177.600 177.600 177.960 -0.360 19872 4898 1 9 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.664 0.036 19872 4899 1 9 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.279 -0.379 19872 4900 1 9 . 1 1 141 141 LEU N N 141 116.600 116.600 116.762 -0.162 19872 4901 1 9 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.515 -0.195 19872 4902 1 9 . 1 1 141 141 LEU C C 141 176.400 176.400 178.127 -1.727 19872 4903 1 9 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.324 -0.724 19872 4904 1 9 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.709 0.291 19872 4905 1 9 . 1 1 142 142 GLY N N 142 107.200 107.200 108.299 -1.099 19872 4906 1 9 . 1 1 142 142 GLY C C 142 173.900 173.900 174.805 -0.905 19872 4907 1 9 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.650 -0.650 19872 4908 1 9 . 1 1 143 143 ILE N N 143 121.600 121.600 121.141 0.459 19872 4909 1 9 . 1 1 143 143 ILE HA H 143 4.020 4.020 3.974 0.046 19872 4910 1 9 . 1 1 143 143 ILE C C 143 173.900 173.900 175.955 -2.055 19872 4911 1 9 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.664 -1.664 19872 4912 1 9 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.569 0.131 19872 4913 1 9 . 1 1 144 144 HIS N N 144 128.000 128.000 127.231 0.769 19872 4914 1 9 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.551 -0.211 19872 4915 1 9 . 1 1 144 144 HIS C C 144 173.800 173.800 174.673 -0.873 19872 4916 1 9 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.639 -1.339 19872 4917 1 9 . 1 1 144 144 HIS CB C 144 28.600 28.600 29.846 -1.246 19872 4918 1 9 . 1 1 145 145 SER N N 145 121.400 121.400 123.821 -2.421 19872 4919 1 9 . 1 1 145 145 SER HA H 145 4.470 4.470 4.555 -0.085 19872 4920 1 9 . 1 1 145 145 SER CA C 145 57.800 57.800 58.266 -0.466 19872 4921 1 9 . 1 1 145 145 SER CB C 145 62.200 62.200 63.736 -1.536 19872 4922 1 9 . 1 1 146 146 ALA N N 146 130.100 130.100 131.040 -0.940 19872 4923 1 9 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.342 -0.162 19872 4924 1 9 . 1 1 146 146 ALA C C 146 178.100 178.100 179.020 -0.920 19872 4925 1 9 . 1 1 146 146 ALA CA C 146 52.900 52.900 54.400 -1.500 19872 4926 1 9 . 1 1 146 146 ALA CB C 146 17.700 17.700 18.965 -1.265 19872 4927 1 9 . 1 1 147 147 LEU N N 147 117.800 117.800 117.721 0.079 19872 4928 1 9 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.141 -0.081 19872 4929 1 9 . 1 1 147 147 LEU C C 147 177.700 177.700 178.666 -0.966 19872 4930 1 9 . 1 1 147 147 LEU CA C 147 55.100 55.100 55.258 -0.158 19872 4931 1 9 . 1 1 147 147 LEU CB C 147 40.400 40.400 40.993 -0.593 19872 4932 1 9 . 1 1 148 148 LEU N N 148 120.100 120.100 121.191 -1.091 19872 4933 1 9 . 1 1 148 148 LEU HA H 148 4.180 4.180 3.931 0.249 19872 4934 1 9 . 1 1 148 148 LEU C C 148 176.500 176.500 177.801 -1.301 19872 4935 1 9 . 1 1 148 148 LEU CA C 148 54.700 54.700 58.383 -3.683 19872 4936 1 9 . 1 1 148 148 LEU CB C 148 42.000 42.000 42.156 -0.156 19872 4937 1 9 . 1 1 149 149 ASP N N 149 121.900 121.900 116.680 5.220 19872 4938 1 9 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.798 -0.199 19872 4939 1 9 . 1 1 149 149 ASP C C 149 174.800 174.800 175.602 -0.802 19872 4940 1 9 . 1 1 149 149 ASP CA C 149 53.900 53.900 54.029 -0.129 19872 4941 1 9 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.628 -1.028 19872 4942 1 10 . 1 1 2 2 SER HA H 2 4.360 4.360 4.734 -0.374 19872 4943 1 10 . 1 1 2 2 SER C C 2 173.800 173.800 173.293 0.507 19872 4944 1 10 . 1 1 2 2 SER CA C 2 58.000 58.000 57.929 0.071 19872 4945 1 10 . 1 1 2 2 SER CB C 2 63.100 63.100 64.485 -1.385 19872 4946 1 10 . 1 1 3 3 PHE N N 3 122.000 122.000 122.773 -0.773 19872 4947 1 10 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.938 -0.328 19872 4948 1 10 . 1 1 3 3 PHE C C 3 175.300 175.300 174.905 0.395 19872 4949 1 10 . 1 1 3 3 PHE CA C 3 57.300 57.300 57.838 -0.538 19872 4950 1 10 . 1 1 3 3 PHE CB C 3 39.300 39.300 38.654 0.646 19872 4951 1 10 . 1 1 4 4 THR N N 4 116.900 116.900 112.975 3.925 19872 4952 1 10 . 1 1 4 4 THR HA H 4 4.180 4.180 4.617 -0.437 19872 4953 1 10 . 1 1 4 4 THR C C 4 173.800 173.800 174.211 -0.411 19872 4954 1 10 . 1 1 4 4 THR CA C 4 61.000 61.000 61.250 -0.250 19872 4955 1 10 . 1 1 4 4 THR CB C 4 69.300 69.300 71.440 -2.140 19872 4956 1 10 . 1 1 36 36 ALA N N 36 123.600 123.600 122.306 1.294 19872 4957 1 10 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.776 -0.546 19872 4958 1 10 . 1 1 36 36 ALA C C 36 178.100 178.100 177.773 0.327 19872 4959 1 10 . 1 1 36 36 ALA CA C 36 52.000 52.000 51.732 0.268 19872 4960 1 10 . 1 1 36 36 ALA CB C 36 18.700 18.700 21.462 -2.762 19872 4961 1 10 . 1 1 37 37 GLY N N 37 108.200 108.200 108.219 -0.019 19872 4962 1 10 . 1 1 37 37 GLY C C 37 174.500 174.500 175.640 -1.140 19872 4963 1 10 . 1 1 37 37 GLY CA C 37 44.800 44.800 45.892 -1.092 19872 4964 1 10 . 1 1 38 38 GLY N N 38 108.200 108.200 110.559 -2.359 19872 4965 1 10 . 1 1 38 38 GLY C C 38 174.500 174.500 175.247 -0.747 19872 4966 1 10 . 1 1 38 38 GLY CA C 38 44.700 44.700 44.005 0.695 19872 4967 1 10 . 1 1 39 39 GLY N N 39 108.600 108.600 110.825 -2.225 19872 4968 1 10 . 1 1 39 39 GLY C C 39 174.100 174.100 174.526 -0.426 19872 4969 1 10 . 1 1 39 39 GLY CA C 39 44.800 44.800 45.998 -1.198 19872 4970 1 10 . 1 1 40 40 GLY N N 40 107.700 107.700 106.038 1.662 19872 4971 1 10 . 1 1 40 40 GLY C C 40 174.100 174.100 173.637 0.463 19872 4972 1 10 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.484 0.216 19872 4973 1 10 . 1 1 41 41 SER N N 41 115.700 115.700 117.366 -1.666 19872 4974 1 10 . 1 1 41 41 SER HA H 41 4.220 4.220 4.754 -0.534 19872 4975 1 10 . 1 1 41 41 SER C C 41 174.800 174.800 175.141 -0.341 19872 4976 1 10 . 1 1 41 41 SER CA C 41 58.400 58.400 57.160 1.240 19872 4977 1 10 . 1 1 41 41 SER CB C 41 63.100 63.100 65.277 -2.177 19872 4978 1 10 . 1 1 42 42 ALA N N 42 124.700 124.700 126.806 -2.106 19872 4979 1 10 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.151 -0.201 19872 4980 1 10 . 1 1 42 42 ALA C C 42 178.800 178.800 179.537 -0.737 19872 4981 1 10 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.340 -0.640 19872 4982 1 10 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.198 -0.498 19872 4983 1 10 . 1 1 43 43 GLU N N 43 116.700 116.700 116.637 0.063 19872 4984 1 10 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.093 -0.143 19872 4985 1 10 . 1 1 43 43 GLU C C 43 178.800 178.800 178.724 0.076 19872 4986 1 10 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.886 -0.386 19872 4987 1 10 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.910 -0.310 19872 4988 1 10 . 1 1 44 44 GLN N N 44 119.400 119.400 120.023 -0.623 19872 4989 1 10 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.228 -0.258 19872 4990 1 10 . 1 1 44 44 GLN C C 44 178.200 178.200 178.043 0.157 19872 4991 1 10 . 1 1 44 44 GLN CA C 44 57.600 57.600 57.974 -0.374 19872 4992 1 10 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.967 -0.867 19872 4993 1 10 . 1 1 45 45 LEU N N 45 121.700 121.700 120.467 1.233 19872 4994 1 10 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.740 -0.170 19872 4995 1 10 . 1 1 45 45 LEU C C 45 177.300 177.300 178.621 -1.321 19872 4996 1 10 . 1 1 45 45 LEU CA C 45 56.500 56.500 58.127 -1.627 19872 4997 1 10 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.462 -0.962 19872 4998 1 10 . 1 1 46 46 ASP N N 46 118.000 118.000 119.397 -1.397 19872 4999 1 10 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.314 -0.284 19872 5000 1 10 . 1 1 46 46 ASP C C 46 176.800 176.800 178.006 -1.206 19872 5001 1 10 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.453 -0.853 19872 5002 1 10 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.726 0.874 19872 5003 1 10 . 1 1 47 47 ALA N N 47 116.100 116.100 121.555 -5.455 19872 5004 1 10 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.129 -0.239 19872 5005 1 10 . 1 1 47 47 ALA C C 47 180.300 180.300 179.652 0.648 19872 5006 1 10 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.616 -0.616 19872 5007 1 10 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.410 -1.010 19872 5008 1 10 . 1 1 48 48 LEU N N 48 117.800 117.800 119.194 -1.394 19872 5009 1 10 . 1 1 48 48 LEU HA H 48 3.840 3.840 4.047 -0.207 19872 5010 1 10 . 1 1 48 48 LEU C C 48 180.100 180.100 179.397 0.703 19872 5011 1 10 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.790 -0.390 19872 5012 1 10 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.454 -0.554 19872 5013 1 10 . 1 1 49 49 VAL N N 49 112.100 112.100 114.219 -2.119 19872 5014 1 10 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.952 -0.072 19872 5015 1 10 . 1 1 49 49 VAL C C 49 176.000 176.000 177.317 -1.317 19872 5016 1 10 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.161 -0.961 19872 5017 1 10 . 1 1 49 49 VAL CB C 49 31.000 31.000 30.662 0.338 19872 5018 1 10 . 1 1 50 50 LYS N N 50 115.400 115.400 119.307 -3.907 19872 5019 1 10 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.468 -0.308 19872 5020 1 10 . 1 1 50 50 LYS C C 50 177.900 177.900 177.827 0.073 19872 5021 1 10 . 1 1 50 50 LYS CA C 50 56.200 56.200 55.598 0.602 19872 5022 1 10 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.463 0.937 19872 5023 1 10 . 1 1 51 51 LYS N N 51 119.000 119.000 118.915 0.085 19872 5024 1 10 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.114 -0.194 19872 5025 1 10 . 1 1 51 51 LYS C C 51 174.700 174.700 176.530 -1.830 19872 5026 1 10 . 1 1 51 51 LYS CA C 51 58.000 58.000 58.734 -0.734 19872 5027 1 10 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.874 -0.574 19872 5028 1 10 . 1 1 52 52 ASP N N 52 113.400 113.400 114.676 -1.276 19872 5029 1 10 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.852 0.138 19872 5030 1 10 . 1 1 52 52 ASP C C 52 174.400 174.400 176.067 -1.667 19872 5031 1 10 . 1 1 52 52 ASP CA C 52 51.800 51.800 53.112 -1.312 19872 5032 1 10 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.983 1.617 19872 5033 1 10 . 1 1 53 53 LYS N N 53 119.500 119.500 119.097 0.403 19872 5034 1 10 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.363 -0.353 19872 5035 1 10 . 1 1 53 53 LYS C C 53 176.100 176.100 175.466 0.634 19872 5036 1 10 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.964 1.836 19872 5037 1 10 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.949 -0.349 19872 5038 1 10 . 1 1 54 54 VAL N N 54 117.700 117.700 119.379 -1.679 19872 5039 1 10 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.885 -0.265 19872 5040 1 10 . 1 1 54 54 VAL C C 54 173.700 173.700 174.040 -0.340 19872 5041 1 10 . 1 1 54 54 VAL CA C 54 60.900 60.900 60.274 0.626 19872 5042 1 10 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.780 -0.480 19872 5043 1 10 . 1 1 55 55 VAL N N 55 127.100 127.100 127.955 -0.855 19872 5044 1 10 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.946 0.004 19872 5045 1 10 . 1 1 55 55 VAL C C 55 174.400 174.400 174.895 -0.495 19872 5046 1 10 . 1 1 55 55 VAL CA C 55 60.600 60.600 60.916 -0.316 19872 5047 1 10 . 1 1 55 55 VAL CB C 55 35.200 35.200 33.948 1.252 19872 5048 1 10 . 1 1 56 56 VAL N N 56 119.700 119.700 127.444 -7.744 19872 5049 1 10 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.098 0.342 19872 5050 1 10 . 1 1 56 56 VAL C C 56 173.400 173.400 174.555 -1.155 19872 5051 1 10 . 1 1 56 56 VAL CA C 56 58.000 58.000 60.971 -2.970 19872 5052 1 10 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.864 -0.063 19872 5053 1 10 . 1 1 57 57 PHE N N 57 122.400 122.400 124.358 -1.958 19872 5054 1 10 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.249 -0.039 19872 5055 1 10 . 1 1 57 57 PHE C C 57 174.800 174.800 174.118 0.682 19872 5056 1 10 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.427 -1.027 19872 5057 1 10 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.821 -1.121 19872 5058 1 10 . 1 1 58 58 LEU N N 58 120.500 120.500 120.019 0.481 19872 5059 1 10 . 1 1 58 58 LEU HA H 58 4.700 4.700 4.972 -0.272 19872 5060 1 10 . 1 1 58 58 LEU C C 58 175.500 175.500 175.456 0.044 19872 5061 1 10 . 1 1 58 58 LEU CA C 58 53.000 53.000 54.150 -1.150 19872 5062 1 10 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.392 -0.292 19872 5063 1 10 . 1 1 59 59 LYS N N 59 117.800 117.800 120.962 -3.162 19872 5064 1 10 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.539 -0.189 19872 5065 1 10 . 1 1 59 59 LYS C C 59 175.200 175.200 175.806 -0.606 19872 5066 1 10 . 1 1 59 59 LYS CA C 59 56.100 56.100 55.956 0.143 19872 5067 1 10 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.687 0.613 19872 5068 1 10 . 1 1 60 60 GLY N N 60 114.800 114.800 110.179 4.621 19872 5069 1 10 . 1 1 60 60 GLY C C 60 170.300 170.300 172.517 -2.217 19872 5070 1 10 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.652 -1.752 19872 5071 1 10 . 1 1 61 61 THR N N 61 107.800 107.800 110.796 -2.996 19872 5072 1 10 . 1 1 61 61 THR HA H 61 4.740 4.740 4.993 -0.253 19872 5073 1 10 . 1 1 61 61 THR C C 61 173.100 173.100 173.561 -0.461 19872 5074 1 10 . 1 1 61 61 THR CA C 61 57.400 57.400 59.037 -1.637 19872 5075 1 10 . 1 1 61 61 THR CB C 61 68.800 68.800 70.313 -1.513 19872 5076 1 10 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.390 -0.420 19872 5077 1 10 . 1 1 62 62 PRO C C 62 177.200 177.200 177.276 -0.076 19872 5078 1 10 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.733 0.167 19872 5079 1 10 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.368 -1.268 19872 5080 1 10 . 1 1 63 63 GLU N N 63 111.900 111.900 115.319 -3.419 19872 5081 1 10 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.326 -0.386 19872 5082 1 10 . 1 1 63 63 GLU C C 63 176.500 176.500 177.002 -0.502 19872 5083 1 10 . 1 1 63 63 GLU CA C 63 58.100 58.100 56.353 1.746 19872 5084 1 10 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.736 -0.536 19872 5085 1 10 . 1 1 64 64 GLN N N 64 117.700 117.700 120.833 -3.133 19872 5086 1 10 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.779 -0.299 19872 5087 1 10 . 1 1 64 64 GLN C C 64 171.500 171.500 173.926 -2.426 19872 5088 1 10 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.458 -0.058 19872 5089 1 10 . 1 1 64 64 GLN CB C 64 29.100 29.100 29.702 -0.602 19872 5090 1 10 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.599 -0.049 19872 5091 1 10 . 1 1 65 65 PRO C C 65 177.900 177.900 176.943 0.957 19872 5092 1 10 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.604 0.396 19872 5093 1 10 . 1 1 65 65 PRO CB C 65 31.700 31.700 30.903 0.797 19872 5094 1 10 . 1 1 66 66 GLN N N 66 119.700 119.700 120.763 -1.063 19872 5095 1 10 . 1 1 66 66 GLN HA H 66 4.500 4.500 3.899 0.601 19872 5096 1 10 . 1 1 66 66 GLN C C 66 174.400 174.400 175.780 -1.380 19872 5097 1 10 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.839 -3.239 19872 5098 1 10 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.344 0.756 19872 5099 1 10 . 1 1 67 67 CYS N N 67 116.700 116.700 115.073 1.627 19872 5100 1 10 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.482 0.218 19872 5101 1 10 . 1 1 67 67 CYS C C 67 176.500 176.500 173.769 2.731 19872 5102 1 10 . 1 1 67 67 CYS CA C 67 58.700 58.700 56.718 1.982 19872 5103 1 10 . 1 1 67 67 CYS CB C 67 32.800 32.800 29.580 3.220 19872 5104 1 10 . 1 1 68 68 GLY C C 68 176.500 176.500 173.097 3.403 19872 5105 1 10 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.303 0.597 19872 5106 1 10 . 1 1 69 69 PHE N N 69 125.800 125.800 120.350 5.450 19872 5107 1 10 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.768 -0.058 19872 5108 1 10 . 1 1 69 69 PHE C C 69 178.300 178.300 176.046 2.254 19872 5109 1 10 . 1 1 69 69 PHE CA C 69 59.900 59.900 56.414 3.486 19872 5110 1 10 . 1 1 69 69 PHE CB C 69 37.900 37.900 39.235 -1.335 19872 5111 1 10 . 1 1 70 70 SER N N 70 124.200 124.200 118.867 5.333 19872 5112 1 10 . 1 1 70 70 SER HA H 70 3.980 3.980 4.072 -0.092 19872 5113 1 10 . 1 1 70 70 SER CA C 70 63.800 63.800 62.212 1.589 19872 5114 1 10 . 1 1 70 70 SER CB C 70 62.000 62.000 62.995 -0.995 19872 5115 1 10 . 1 1 71 71 ASN N N 71 118.500 118.500 118.517 -0.017 19872 5116 1 10 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.486 -0.336 19872 5117 1 10 . 1 1 71 71 ASN C C 71 175.800 175.800 176.756 -0.956 19872 5118 1 10 . 1 1 71 71 ASN CA C 71 56.400 56.400 56.097 0.303 19872 5119 1 10 . 1 1 71 71 ASN CB C 71 38.800 38.800 37.453 1.347 19872 5120 1 10 . 1 1 72 72 ALA N N 72 119.900 119.900 123.117 -3.217 19872 5121 1 10 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.090 -0.110 19872 5122 1 10 . 1 1 72 72 ALA C C 72 179.700 179.700 179.965 -0.265 19872 5123 1 10 . 1 1 72 72 ALA CA C 72 54.800 54.800 55.000 -0.200 19872 5124 1 10 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.271 -0.571 19872 5125 1 10 . 1 1 73 73 VAL N N 73 115.700 115.700 115.319 0.381 19872 5126 1 10 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.755 -0.415 19872 5127 1 10 . 1 1 73 73 VAL C C 73 176.300 176.300 177.738 -1.438 19872 5128 1 10 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.410 0.790 19872 5129 1 10 . 1 1 73 73 VAL CB C 73 31.100 31.100 30.523 0.577 19872 5130 1 10 . 1 1 74 74 VAL N N 74 118.100 118.100 121.403 -3.303 19872 5131 1 10 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.543 -0.213 19872 5132 1 10 . 1 1 74 74 VAL C C 74 178.800 178.800 178.264 0.536 19872 5133 1 10 . 1 1 74 74 VAL CA C 74 66.100 66.100 67.063 -0.963 19872 5134 1 10 . 1 1 74 74 VAL CB C 74 31.100 31.100 31.217 -0.117 19872 5135 1 10 . 1 1 75 75 GLN N N 75 119.000 119.000 119.327 -0.327 19872 5136 1 10 . 1 1 75 75 GLN HA H 75 3.910 3.910 4.064 -0.154 19872 5137 1 10 . 1 1 75 75 GLN C C 75 178.500 178.500 178.919 -0.419 19872 5138 1 10 . 1 1 75 75 GLN CA C 75 57.900 57.900 58.282 -0.382 19872 5139 1 10 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.076 -0.977 19872 5140 1 10 . 1 1 76 76 ILE N N 76 120.600 120.600 121.250 -0.650 19872 5141 1 10 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.416 -0.096 19872 5142 1 10 . 1 1 76 76 ILE C C 76 177.600 177.600 178.360 -0.760 19872 5143 1 10 . 1 1 76 76 ILE CA C 76 64.700 64.700 65.485 -0.785 19872 5144 1 10 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.543 -0.643 19872 5145 1 10 . 1 1 77 77 LEU N N 77 117.800 117.800 119.718 -1.918 19872 5146 1 10 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.966 -0.236 19872 5147 1 10 . 1 1 77 77 LEU C C 77 178.400 178.400 179.116 -0.716 19872 5148 1 10 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.470 -0.370 19872 5149 1 10 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.578 -2.178 19872 5150 1 10 . 1 1 78 78 ARG N N 78 118.800 118.800 119.576 -0.776 19872 5151 1 10 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.300 -0.220 19872 5152 1 10 . 1 1 78 78 ARG C C 78 180.800 180.800 179.461 1.339 19872 5153 1 10 . 1 1 78 78 ARG CA C 78 58.900 58.900 58.979 -0.079 19872 5154 1 10 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.840 -0.540 19872 5155 1 10 . 1 1 79 79 LEU N N 79 123.200 123.200 121.840 1.360 19872 5156 1 10 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.061 -0.171 19872 5157 1 10 . 1 1 79 79 LEU C C 79 178.200 178.200 178.613 -0.413 19872 5158 1 10 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.609 -0.109 19872 5159 1 10 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.848 -0.348 19872 5160 1 10 . 1 1 80 80 HIS N N 80 112.200 112.200 115.112 -2.912 19872 5161 1 10 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.603 -0.503 19872 5162 1 10 . 1 1 80 80 HIS C C 80 176.000 176.000 176.611 -0.611 19872 5163 1 10 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.654 0.346 19872 5164 1 10 . 1 1 80 80 HIS CB C 80 31.700 31.700 29.804 1.896 19872 5165 1 10 . 1 1 81 81 GLY N N 81 111.700 111.700 107.860 3.840 19872 5166 1 10 . 1 1 81 81 GLY C C 81 174.000 174.000 174.100 -0.100 19872 5167 1 10 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.694 -0.094 19872 5168 1 10 . 1 1 82 82 VAL N N 82 120.400 120.400 123.364 -2.964 19872 5169 1 10 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.194 -0.384 19872 5170 1 10 . 1 1 82 82 VAL C C 82 174.800 174.800 175.224 -0.424 19872 5171 1 10 . 1 1 82 82 VAL CA C 82 62.200 62.200 62.470 -0.270 19872 5172 1 10 . 1 1 82 82 VAL CB C 82 29.700 29.700 31.922 -2.222 19872 5173 1 10 . 1 1 83 83 ARG N N 83 126.600 126.600 124.697 1.903 19872 5174 1 10 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.389 -0.029 19872 5175 1 10 . 1 1 83 83 ARG C C 83 176.000 176.000 175.503 0.497 19872 5176 1 10 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.624 -0.024 19872 5177 1 10 . 1 1 83 83 ARG CB C 83 31.100 31.100 30.777 0.323 19872 5178 1 10 . 1 1 84 84 ASP N N 84 118.400 118.400 119.766 -1.366 19872 5179 1 10 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.453 0.097 19872 5180 1 10 . 1 1 84 84 ASP C C 84 174.200 174.200 175.315 -1.115 19872 5181 1 10 . 1 1 84 84 ASP CA C 84 53.000 53.000 52.661 0.339 19872 5182 1 10 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.621 -0.621 19872 5183 1 10 . 1 1 85 85 TYR N N 85 116.200 116.200 115.782 0.418 19872 5184 1 10 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.853 -0.103 19872 5185 1 10 . 1 1 85 85 TYR C C 85 173.100 173.100 175.649 -2.549 19872 5186 1 10 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.193 -1.193 19872 5187 1 10 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.715 0.485 19872 5188 1 10 . 1 1 86 86 ALA N N 86 125.000 125.000 123.873 1.127 19872 5189 1 10 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.480 -0.260 19872 5190 1 10 . 1 1 86 86 ALA C C 86 174.300 174.300 175.474 -1.174 19872 5191 1 10 . 1 1 86 86 ALA CA C 86 50.800 50.800 51.014 -0.214 19872 5192 1 10 . 1 1 86 86 ALA CB C 86 20.400 20.400 19.765 0.635 19872 5193 1 10 . 1 1 87 87 ALA N N 87 124.400 124.400 128.867 -4.467 19872 5194 1 10 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.615 0.555 19872 5195 1 10 . 1 1 87 87 ALA C C 87 175.400 175.400 175.966 -0.566 19872 5196 1 10 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.564 -1.664 19872 5197 1 10 . 1 1 87 87 ALA CB C 87 21.400 21.400 19.096 2.304 19872 5198 1 10 . 1 1 88 88 TYR N N 88 121.100 121.100 124.222 -3.122 19872 5199 1 10 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.155 0.335 19872 5200 1 10 . 1 1 88 88 TYR C C 88 174.100 174.100 174.830 -0.730 19872 5201 1 10 . 1 1 88 88 TYR CA C 88 56.900 56.900 57.968 -1.068 19872 5202 1 10 . 1 1 88 88 TYR CB C 88 40.200 40.200 38.371 1.829 19872 5203 1 10 . 1 1 89 89 ASN N N 89 122.300 122.300 123.744 -1.444 19872 5204 1 10 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.139 0.051 19872 5205 1 10 . 1 1 89 89 ASN C C 89 178.000 178.000 176.771 1.229 19872 5206 1 10 . 1 1 89 89 ASN CA C 89 50.800 50.800 53.040 -2.240 19872 5207 1 10 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.871 -0.871 19872 5208 1 10 . 1 1 90 90 VAL N N 90 117.900 117.900 122.640 -4.740 19872 5209 1 10 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.204 -0.024 19872 5210 1 10 . 1 1 90 90 VAL C C 90 176.700 176.700 176.032 0.668 19872 5211 1 10 . 1 1 90 90 VAL CA C 90 62.200 62.200 62.944 -0.744 19872 5212 1 10 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.292 -0.792 19872 5213 1 10 . 1 1 91 91 LEU N N 91 118.900 118.900 120.030 -1.130 19872 5214 1 10 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.078 -0.018 19872 5215 1 10 . 1 1 91 91 LEU C C 91 177.500 177.500 178.276 -0.776 19872 5216 1 10 . 1 1 91 91 LEU CA C 91 56.000 56.000 56.754 -0.754 19872 5217 1 10 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.398 -0.998 19872 5218 1 10 . 1 1 92 92 ASP N N 92 115.500 115.500 118.488 -2.988 19872 5219 1 10 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.498 0.172 19872 5220 1 10 . 1 1 92 92 ASP C C 92 175.500 175.500 175.982 -0.482 19872 5221 1 10 . 1 1 92 92 ASP CA C 92 54.100 54.100 56.088 -1.988 19872 5222 1 10 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.569 -0.569 19872 5223 1 10 . 1 1 93 93 ASP N N 93 115.000 115.000 115.948 -0.948 19872 5224 1 10 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.068 -0.038 19872 5225 1 10 . 1 1 93 93 ASP C C 93 172.800 172.800 174.522 -1.722 19872 5226 1 10 . 1 1 93 93 ASP CA C 93 50.500 50.500 52.145 -1.645 19872 5227 1 10 . 1 1 93 93 ASP CB C 93 41.900 41.900 43.715 -1.815 19872 5228 1 10 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.409 -0.139 19872 5229 1 10 . 1 1 94 94 PRO C C 94 179.300 179.300 177.923 1.377 19872 5230 1 10 . 1 1 94 94 PRO CA C 94 64.100 64.100 64.834 -0.734 19872 5231 1 10 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.421 -0.621 19872 5232 1 10 . 1 1 95 95 GLU N N 95 118.600 118.600 119.257 -0.657 19872 5233 1 10 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.095 -0.055 19872 5234 1 10 . 1 1 95 95 GLU C C 95 179.500 179.500 179.019 0.481 19872 5235 1 10 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.351 -0.751 19872 5236 1 10 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.395 0.205 19872 5237 1 10 . 1 1 96 96 LEU N N 96 123.800 123.800 120.259 3.541 19872 5238 1 10 . 1 1 96 96 LEU HA H 96 3.890 3.890 3.965 -0.075 19872 5239 1 10 . 1 1 96 96 LEU C C 96 177.200 177.200 179.018 -1.818 19872 5240 1 10 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.787 -0.687 19872 5241 1 10 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.625 -0.325 19872 5242 1 10 . 1 1 97 97 ARG N N 97 117.900 117.900 119.360 -1.460 19872 5243 1 10 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.885 -0.345 19872 5244 1 10 . 1 1 97 97 ARG C C 97 176.400 176.400 178.359 -1.959 19872 5245 1 10 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.051 -0.151 19872 5246 1 10 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.010 0.390 19872 5247 1 10 . 1 1 98 98 GLN N N 98 114.400 114.400 118.117 -3.717 19872 5248 1 10 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.118 -0.298 19872 5249 1 10 . 1 1 98 98 GLN C C 98 177.500 177.500 178.448 -0.948 19872 5250 1 10 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.655 -1.755 19872 5251 1 10 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.575 -0.575 19872 5252 1 10 . 1 1 99 99 GLY N N 99 107.700 107.700 108.676 -0.976 19872 5253 1 10 . 1 1 99 99 GLY C C 99 176.700 176.700 176.152 0.548 19872 5254 1 10 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.363 -0.863 19872 5255 1 10 . 1 1 100 100 ILE N N 100 120.900 120.900 122.481 -1.581 19872 5256 1 10 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.868 0.112 19872 5257 1 10 . 1 1 100 100 ILE C C 100 176.800 176.800 177.362 -0.562 19872 5258 1 10 . 1 1 100 100 ILE CA C 100 60.500 60.500 61.194 -0.694 19872 5259 1 10 . 1 1 100 100 ILE CB C 100 37.500 37.500 37.940 -0.440 19872 5260 1 10 . 1 1 101 101 LYS N N 101 124.600 124.600 120.893 3.707 19872 5261 1 10 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.238 -0.158 19872 5262 1 10 . 1 1 101 101 LYS C C 101 178.900 178.900 179.014 -0.114 19872 5263 1 10 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.863 -1.163 19872 5264 1 10 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.232 -0.432 19872 5265 1 10 . 1 1 102 102 ASP N N 102 118.700 118.700 119.000 -0.300 19872 5266 1 10 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.499 -0.249 19872 5267 1 10 . 1 1 102 102 ASP C C 102 177.700 177.700 178.995 -1.295 19872 5268 1 10 . 1 1 102 102 ASP CA C 102 56.200 56.200 57.340 -1.140 19872 5269 1 10 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.073 -1.373 19872 5270 1 10 . 1 1 103 103 TYR N N 103 120.300 120.300 120.465 -0.165 19872 5271 1 10 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.260 -0.200 19872 5272 1 10 . 1 1 103 103 TYR C C 103 176.600 176.600 177.398 -0.798 19872 5273 1 10 . 1 1 103 103 TYR CA C 103 60.500 60.500 60.789 -0.289 19872 5274 1 10 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.813 1.087 19872 5275 1 10 . 1 1 104 104 SER N N 104 110.900 110.900 113.402 -2.502 19872 5276 1 10 . 1 1 104 104 SER HA H 104 3.900 3.900 4.293 -0.393 19872 5277 1 10 . 1 1 104 104 SER C C 104 174.600 174.600 174.945 -0.345 19872 5278 1 10 . 1 1 104 104 SER CA C 104 57.700 57.700 57.991 -0.291 19872 5279 1 10 . 1 1 104 104 SER CB C 104 63.900 63.900 63.379 0.521 19872 5280 1 10 . 1 1 105 105 ASN N N 105 117.900 117.900 118.271 -0.371 19872 5281 1 10 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.587 -0.387 19872 5282 1 10 . 1 1 105 105 ASN C C 105 173.200 173.200 174.427 -1.227 19872 5283 1 10 . 1 1 105 105 ASN CA C 105 53.800 53.800 54.880 -1.080 19872 5284 1 10 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.019 -0.819 19872 5285 1 10 . 1 1 106 106 TRP N N 106 120.600 120.600 118.159 2.441 19872 5286 1 10 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.068 0.012 19872 5287 1 10 . 1 1 106 106 TRP C C 106 175.400 175.400 174.870 0.530 19872 5288 1 10 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.247 -1.747 19872 5289 1 10 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.625 -0.625 19872 5290 1 10 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.331 -0.161 19872 5291 1 10 . 1 1 107 107 PRO C C 107 175.900 175.900 176.295 -0.395 19872 5292 1 10 . 1 1 107 107 PRO CA C 107 63.700 63.700 65.372 -1.672 19872 5293 1 10 . 1 1 107 107 PRO CB C 107 31.600 31.600 31.989 -0.389 19872 5294 1 10 . 1 1 108 108 THR N N 108 110.500 110.500 110.142 0.358 19872 5295 1 10 . 1 1 108 108 THR HA H 108 4.300 4.300 4.549 -0.249 19872 5296 1 10 . 1 1 108 108 THR C C 108 171.400 171.400 173.128 -1.728 19872 5297 1 10 . 1 1 108 108 THR CA C 108 60.400 60.400 61.516 -1.116 19872 5298 1 10 . 1 1 108 108 THR CB C 108 70.400 70.400 69.505 0.895 19872 5299 1 10 . 1 1 109 109 ILE N N 109 123.100 123.100 123.384 -0.284 19872 5300 1 10 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.602 -0.342 19872 5301 1 10 . 1 1 109 109 ILE C C 109 175.000 175.000 174.092 0.908 19872 5302 1 10 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.861 -1.961 19872 5303 1 10 . 1 1 109 109 ILE CB C 109 40.100 40.100 41.026 -0.927 19872 5304 1 10 . 1 1 110 110 PRO HA H 110 5.340 5.340 5.087 0.253 19872 5305 1 10 . 1 1 110 110 PRO C C 110 175.600 175.600 175.303 0.297 19872 5306 1 10 . 1 1 110 110 PRO CA C 110 61.500 61.500 61.978 -0.478 19872 5307 1 10 . 1 1 110 110 PRO CB C 110 37.500 37.500 33.179 4.321 19872 5308 1 10 . 1 1 111 111 GLN N N 111 114.700 114.700 118.481 -3.781 19872 5309 1 10 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.312 -0.382 19872 5310 1 10 . 1 1 111 111 GLN C C 111 174.100 174.100 174.483 -0.383 19872 5311 1 10 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.612 0.788 19872 5312 1 10 . 1 1 111 111 GLN CB C 111 33.900 33.900 32.843 1.056 19872 5313 1 10 . 1 1 112 112 VAL N N 112 121.000 121.000 119.485 1.515 19872 5314 1 10 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.256 -0.476 19872 5315 1 10 . 1 1 112 112 VAL C C 112 172.300 172.300 173.470 -1.170 19872 5316 1 10 . 1 1 112 112 VAL CA C 112 61.200 61.200 59.883 1.317 19872 5317 1 10 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.799 -2.299 19872 5318 1 10 . 1 1 113 113 TYR N N 113 128.400 128.400 125.492 2.908 19872 5319 1 10 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.265 -0.295 19872 5320 1 10 . 1 1 113 113 TYR C C 113 173.800 173.800 174.537 -0.737 19872 5321 1 10 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.406 0.294 19872 5322 1 10 . 1 1 113 113 TYR CB C 113 41.000 41.000 41.057 -0.057 19872 5323 1 10 . 1 1 114 114 LEU N N 114 117.900 117.900 123.463 -5.563 19872 5324 1 10 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.142 0.188 19872 5325 1 10 . 1 1 114 114 LEU C C 114 178.300 178.300 177.614 0.686 19872 5326 1 10 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.882 -1.782 19872 5327 1 10 . 1 1 114 114 LEU CB C 114 43.300 43.300 44.023 -0.723 19872 5328 1 10 . 1 1 115 115 ASN N N 115 125.000 125.000 122.102 2.898 19872 5329 1 10 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.425 0.075 19872 5330 1 10 . 1 1 115 115 ASN C C 115 175.500 175.500 175.572 -0.072 19872 5331 1 10 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.278 -1.578 19872 5332 1 10 . 1 1 115 115 ASN CB C 115 38.700 38.700 38.249 0.451 19872 5333 1 10 . 1 1 116 116 GLY N N 116 105.000 105.000 102.815 2.185 19872 5334 1 10 . 1 1 116 116 GLY C C 116 172.900 172.900 173.062 -0.162 19872 5335 1 10 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.757 -0.657 19872 5336 1 10 . 1 1 117 117 GLU N N 117 118.900 118.900 119.400 -0.500 19872 5337 1 10 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.931 -0.181 19872 5338 1 10 . 1 1 117 117 GLU C C 117 174.700 174.700 174.905 -0.205 19872 5339 1 10 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.032 -0.032 19872 5340 1 10 . 1 1 117 117 GLU CB C 117 31.600 31.600 33.099 -1.499 19872 5341 1 10 . 1 1 118 118 PHE N N 118 124.400 124.400 125.338 -0.938 19872 5342 1 10 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.452 -1.262 19872 5343 1 10 . 1 1 118 118 PHE C C 118 175.500 175.500 174.870 0.630 19872 5344 1 10 . 1 1 118 118 PHE CA C 118 57.500 57.500 58.252 -0.752 19872 5345 1 10 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.645 -1.545 19872 5346 1 10 . 1 1 119 119 VAL N N 119 126.900 126.900 125.404 1.496 19872 5347 1 10 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.156 -0.446 19872 5348 1 10 . 1 1 119 119 VAL C C 119 174.200 174.200 174.404 -0.204 19872 5349 1 10 . 1 1 119 119 VAL CA C 119 61.900 61.900 62.245 -0.345 19872 5350 1 10 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.802 -2.402 19872 5351 1 10 . 1 1 120 120 GLY N N 120 101.400 101.400 105.827 -4.427 19872 5352 1 10 . 1 1 120 120 GLY CA C 120 44.100 44.100 44.972 -0.872 19872 5353 1 10 . 1 1 121 121 GLY N N 121 106.300 106.300 106.022 0.278 19872 5354 1 10 . 1 1 121 121 GLY C C 121 173.100 173.100 174.828 -1.728 19872 5355 1 10 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.787 -0.587 19872 5356 1 10 . 1 1 122 122 CYS N N 122 119.400 119.400 118.645 0.755 19872 5357 1 10 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.089 -0.429 19872 5358 1 10 . 1 1 122 122 CYS C C 122 174.800 174.800 175.974 -1.174 19872 5359 1 10 . 1 1 122 122 CYS CA C 122 61.800 61.800 60.651 1.149 19872 5360 1 10 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.363 0.237 19872 5361 1 10 . 1 1 123 123 ASP N N 123 117.700 117.700 120.597 -2.897 19872 5362 1 10 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.235 0.005 19872 5363 1 10 . 1 1 123 123 ASP C C 123 179.100 179.100 177.840 1.260 19872 5364 1 10 . 1 1 123 123 ASP CA C 123 57.700 57.700 56.976 0.724 19872 5365 1 10 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.825 -1.625 19872 5366 1 10 . 1 1 124 124 ILE N N 124 120.700 120.700 119.690 1.010 19872 5367 1 10 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.711 0.009 19872 5368 1 10 . 1 1 124 124 ILE C C 124 177.200 177.200 177.662 -0.462 19872 5369 1 10 . 1 1 124 124 ILE CA C 124 63.100 63.100 63.822 -0.723 19872 5370 1 10 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.995 -0.995 19872 5371 1 10 . 1 1 125 125 LEU N N 125 122.000 122.000 121.396 0.604 19872 5372 1 10 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.987 -0.157 19872 5373 1 10 . 1 1 125 125 LEU C C 125 178.800 178.800 178.145 0.655 19872 5374 1 10 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.248 -0.848 19872 5375 1 10 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.737 -0.937 19872 5376 1 10 . 1 1 126 126 LEU N N 126 118.200 118.200 116.013 2.187 19872 5377 1 10 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.139 -0.179 19872 5378 1 10 . 1 1 126 126 LEU C C 126 179.100 179.100 178.083 1.017 19872 5379 1 10 . 1 1 126 126 LEU CA C 126 57.800 57.800 56.759 1.041 19872 5380 1 10 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.866 -0.066 19872 5381 1 10 . 1 1 127 127 GLN N N 127 119.900 119.900 117.776 2.124 19872 5382 1 10 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.233 -0.263 19872 5383 1 10 . 1 1 127 127 GLN C C 127 178.200 178.200 178.035 0.165 19872 5384 1 10 . 1 1 127 127 GLN CA C 127 59.000 59.000 57.842 1.158 19872 5385 1 10 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.965 -1.065 19872 5386 1 10 . 1 1 128 128 MET N N 128 117.500 117.500 118.817 -1.317 19872 5387 1 10 . 1 1 128 128 MET HA H 128 4.360 4.360 4.556 -0.196 19872 5388 1 10 . 1 1 128 128 MET C C 128 179.600 179.600 179.087 0.513 19872 5389 1 10 . 1 1 128 128 MET CA C 128 57.800 57.800 58.767 -0.967 19872 5390 1 10 . 1 1 128 128 MET CB C 128 33.500 33.500 32.780 0.720 19872 5391 1 10 . 1 1 129 129 HIS N N 129 122.300 122.300 119.584 2.716 19872 5392 1 10 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.328 0.022 19872 5393 1 10 . 1 1 129 129 HIS C C 129 177.000 177.000 177.671 -0.671 19872 5394 1 10 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.007 -0.806 19872 5395 1 10 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.789 1.311 19872 5396 1 10 . 1 1 130 130 GLN N N 130 116.700 116.700 116.969 -0.269 19872 5397 1 10 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.114 -0.354 19872 5398 1 10 . 1 1 130 130 GLN C C 130 177.600 177.600 177.580 0.020 19872 5399 1 10 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.234 0.566 19872 5400 1 10 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.321 -1.021 19872 5401 1 10 . 1 1 131 131 ASN N N 131 114.200 114.200 117.411 -3.211 19872 5402 1 10 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.645 -0.025 19872 5403 1 10 . 1 1 131 131 ASN C C 131 176.600 176.600 176.373 0.227 19872 5404 1 10 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.794 -1.494 19872 5405 1 10 . 1 1 131 131 ASN CB C 131 38.000 38.000 40.258 -2.258 19872 5406 1 10 . 1 1 132 132 GLY N N 132 106.600 106.600 109.158 -2.558 19872 5407 1 10 . 1 1 132 132 GLY C C 132 175.300 175.300 175.288 0.012 19872 5408 1 10 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.069 0.131 19872 5409 1 10 . 1 1 133 133 ASP N N 133 122.900 122.900 122.423 0.477 19872 5410 1 10 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.537 -0.167 19872 5411 1 10 . 1 1 133 133 ASP C C 133 178.700 178.700 177.598 1.102 19872 5412 1 10 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.492 0.208 19872 5413 1 10 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.525 -0.525 19872 5414 1 10 . 1 1 134 134 LEU N N 134 118.900 118.900 119.004 -0.104 19872 5415 1 10 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.078 -0.298 19872 5416 1 10 . 1 1 134 134 LEU C C 134 177.300 177.300 177.830 -0.530 19872 5417 1 10 . 1 1 134 134 LEU CA C 134 57.300 57.300 57.051 0.249 19872 5418 1 10 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.599 -1.599 19872 5419 1 10 . 1 1 135 135 VAL N N 135 116.600 116.600 118.725 -2.125 19872 5420 1 10 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.712 -0.312 19872 5421 1 10 . 1 1 135 135 VAL C C 135 178.300 178.300 178.235 0.065 19872 5422 1 10 . 1 1 135 135 VAL CA C 135 66.800 66.800 65.680 1.120 19872 5423 1 10 . 1 1 135 135 VAL CB C 135 31.200 31.200 30.850 0.350 19872 5424 1 10 . 1 1 136 136 GLU N N 136 118.600 118.600 119.442 -0.842 19872 5425 1 10 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.072 -0.052 19872 5426 1 10 . 1 1 136 136 GLU C C 136 178.800 178.800 179.010 -0.210 19872 5427 1 10 . 1 1 136 136 GLU CA C 136 58.000 58.000 58.827 -0.827 19872 5428 1 10 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.818 -0.318 19872 5429 1 10 . 1 1 137 137 GLU N N 137 119.500 119.500 120.695 -1.195 19872 5430 1 10 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.096 -0.206 19872 5431 1 10 . 1 1 137 137 GLU C C 137 179.500 179.500 179.068 0.432 19872 5432 1 10 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.853 -0.853 19872 5433 1 10 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.340 -0.740 19872 5434 1 10 . 1 1 138 138 LEU N N 138 117.400 117.400 119.022 -1.622 19872 5435 1 10 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.897 -0.007 19872 5436 1 10 . 1 1 138 138 LEU C C 138 179.200 179.200 178.928 0.272 19872 5437 1 10 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.853 -0.353 19872 5438 1 10 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.789 -2.489 19872 5439 1 10 . 1 1 139 139 LYS N N 139 121.100 121.100 117.798 3.302 19872 5440 1 10 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.104 -0.254 19872 5441 1 10 . 1 1 139 139 LYS C C 139 180.900 180.900 179.349 1.551 19872 5442 1 10 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.044 0.556 19872 5443 1 10 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.033 -0.233 19872 5444 1 10 . 1 1 140 140 LYS N N 140 119.800 119.800 119.970 -0.170 19872 5445 1 10 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.096 -0.156 19872 5446 1 10 . 1 1 140 140 LYS C C 140 177.600 177.600 177.422 0.178 19872 5447 1 10 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.627 0.073 19872 5448 1 10 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.215 -0.315 19872 5449 1 10 . 1 1 141 141 LEU N N 141 116.600 116.600 118.109 -1.509 19872 5450 1 10 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.463 -0.143 19872 5451 1 10 . 1 1 141 141 LEU C C 141 176.400 176.400 177.580 -1.180 19872 5452 1 10 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.715 -1.115 19872 5453 1 10 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.625 0.375 19872 5454 1 10 . 1 1 142 142 GLY N N 142 107.200 107.200 107.840 -0.640 19872 5455 1 10 . 1 1 142 142 GLY C C 142 173.900 173.900 174.667 -0.767 19872 5456 1 10 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.673 -0.673 19872 5457 1 10 . 1 1 143 143 ILE N N 143 121.600 121.600 120.749 0.851 19872 5458 1 10 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.067 -0.047 19872 5459 1 10 . 1 1 143 143 ILE C C 143 173.900 173.900 175.703 -1.803 19872 5460 1 10 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.273 -1.273 19872 5461 1 10 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.814 -0.114 19872 5462 1 10 . 1 1 144 144 HIS N N 144 128.000 128.000 126.367 1.633 19872 5463 1 10 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.653 -0.313 19872 5464 1 10 . 1 1 144 144 HIS C C 144 173.800 173.800 174.834 -1.034 19872 5465 1 10 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.580 -1.280 19872 5466 1 10 . 1 1 144 144 HIS CB C 144 28.600 28.600 30.439 -1.839 19872 5467 1 10 . 1 1 145 145 SER N N 145 121.400 121.400 123.409 -2.009 19872 5468 1 10 . 1 1 145 145 SER HA H 145 4.470 4.470 4.596 -0.126 19872 5469 1 10 . 1 1 145 145 SER CA C 145 57.800 57.800 58.294 -0.494 19872 5470 1 10 . 1 1 145 145 SER CB C 145 62.200 62.200 64.067 -1.867 19872 5471 1 10 . 1 1 146 146 ALA N N 146 130.100 130.100 131.000 -0.900 19872 5472 1 10 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.432 -0.252 19872 5473 1 10 . 1 1 146 146 ALA C C 146 178.100 178.100 177.999 0.101 19872 5474 1 10 . 1 1 146 146 ALA CA C 146 52.900 52.900 53.877 -0.977 19872 5475 1 10 . 1 1 146 146 ALA CB C 146 17.700 17.700 18.991 -1.290 19872 5476 1 10 . 1 1 147 147 LEU N N 147 117.800 117.800 117.393 0.407 19872 5477 1 10 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.404 -0.344 19872 5478 1 10 . 1 1 147 147 LEU C C 147 177.700 177.700 178.175 -0.475 19872 5479 1 10 . 1 1 147 147 LEU CA C 147 55.100 55.100 54.523 0.577 19872 5480 1 10 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.639 -1.239 19872 5481 1 10 . 1 1 148 148 LEU N N 148 120.100 120.100 121.667 -1.567 19872 5482 1 10 . 1 1 148 148 LEU HA H 148 4.180 4.180 3.983 0.197 19872 5483 1 10 . 1 1 148 148 LEU C C 148 176.500 176.500 177.681 -1.181 19872 5484 1 10 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.646 -2.946 19872 5485 1 10 . 1 1 148 148 LEU CB C 148 42.000 42.000 42.055 -0.055 19872 5486 1 10 . 1 1 149 149 ASP N N 149 121.900 121.900 117.110 4.790 19872 5487 1 10 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.734 -0.134 19872 5488 1 10 . 1 1 149 149 ASP C C 149 174.800 174.800 176.142 -1.342 19872 5489 1 10 . 1 1 149 149 ASP CA C 149 53.900 53.900 53.943 -0.043 19872 5490 1 10 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.107 -0.507 19872 5491 1 11 . 1 1 2 2 SER HA H 2 4.360 4.360 4.066 0.294 19872 5492 1 11 . 1 1 2 2 SER C C 2 173.800 173.800 173.044 0.756 19872 5493 1 11 . 1 1 2 2 SER CA C 2 58.000 58.000 58.631 -0.631 19872 5494 1 11 . 1 1 2 2 SER CB C 2 63.100 63.100 62.953 0.147 19872 5495 1 11 . 1 1 3 3 PHE N N 3 122.000 122.000 119.626 2.374 19872 5496 1 11 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.798 -0.188 19872 5497 1 11 . 1 1 3 3 PHE C C 3 175.300 175.300 175.258 0.042 19872 5498 1 11 . 1 1 3 3 PHE CA C 3 57.300 57.300 56.913 0.387 19872 5499 1 11 . 1 1 3 3 PHE CB C 3 39.300 39.300 40.323 -1.023 19872 5500 1 11 . 1 1 4 4 THR N N 4 116.900 116.900 115.041 1.859 19872 5501 1 11 . 1 1 4 4 THR HA H 4 4.180 4.180 4.638 -0.458 19872 5502 1 11 . 1 1 4 4 THR C C 4 173.800 173.800 174.785 -0.985 19872 5503 1 11 . 1 1 4 4 THR CA C 4 61.000 61.000 61.178 -0.178 19872 5504 1 11 . 1 1 4 4 THR CB C 4 69.300 69.300 70.947 -1.647 19872 5505 1 11 . 1 1 36 36 ALA N N 36 123.600 123.600 123.535 0.065 19872 5506 1 11 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.474 -0.244 19872 5507 1 11 . 1 1 36 36 ALA C C 36 178.100 178.100 177.483 0.617 19872 5508 1 11 . 1 1 36 36 ALA CA C 36 52.000 52.000 51.989 0.011 19872 5509 1 11 . 1 1 36 36 ALA CB C 36 18.700 18.700 19.928 -1.228 19872 5510 1 11 . 1 1 37 37 GLY N N 37 108.200 108.200 107.053 1.147 19872 5511 1 11 . 1 1 37 37 GLY C C 37 174.500 174.500 174.153 0.347 19872 5512 1 11 . 1 1 37 37 GLY CA C 37 44.800 44.800 45.215 -0.416 19872 5513 1 11 . 1 1 38 38 GLY N N 38 108.200 108.200 107.609 0.591 19872 5514 1 11 . 1 1 38 38 GLY C C 38 174.500 174.500 173.598 0.902 19872 5515 1 11 . 1 1 38 38 GLY CA C 38 44.700 44.700 45.322 -0.622 19872 5516 1 11 . 1 1 39 39 GLY N N 39 108.600 108.600 107.995 0.605 19872 5517 1 11 . 1 1 39 39 GLY C C 39 174.100 174.100 175.365 -1.265 19872 5518 1 11 . 1 1 39 39 GLY CA C 39 44.800 44.800 45.045 -0.245 19872 5519 1 11 . 1 1 40 40 GLY N N 40 107.700 107.700 107.955 -0.255 19872 5520 1 11 . 1 1 40 40 GLY C C 40 174.100 174.100 174.105 -0.005 19872 5521 1 11 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.485 0.215 19872 5522 1 11 . 1 1 41 41 SER N N 41 115.700 115.700 114.069 1.631 19872 5523 1 11 . 1 1 41 41 SER HA H 41 4.220 4.220 4.097 0.123 19872 5524 1 11 . 1 1 41 41 SER C C 41 174.800 174.800 175.687 -0.887 19872 5525 1 11 . 1 1 41 41 SER CA C 41 58.400 58.400 58.186 0.214 19872 5526 1 11 . 1 1 41 41 SER CB C 41 63.100 63.100 63.719 -0.619 19872 5527 1 11 . 1 1 42 42 ALA N N 42 124.700 124.700 123.553 1.147 19872 5528 1 11 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.174 -0.224 19872 5529 1 11 . 1 1 42 42 ALA C C 42 178.800 178.800 178.834 -0.034 19872 5530 1 11 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.059 -0.359 19872 5531 1 11 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.870 -1.170 19872 5532 1 11 . 1 1 43 43 GLU N N 43 116.700 116.700 117.164 -0.464 19872 5533 1 11 . 1 1 43 43 GLU HA H 43 3.950 3.950 3.991 -0.041 19872 5534 1 11 . 1 1 43 43 GLU C C 43 178.800 178.800 178.807 -0.007 19872 5535 1 11 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.528 -0.028 19872 5536 1 11 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.968 -0.368 19872 5537 1 11 . 1 1 44 44 GLN N N 44 119.400 119.400 120.326 -0.926 19872 5538 1 11 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.117 -0.147 19872 5539 1 11 . 1 1 44 44 GLN C C 44 178.200 178.200 178.043 0.157 19872 5540 1 11 . 1 1 44 44 GLN CA C 44 57.600 57.600 58.295 -0.695 19872 5541 1 11 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.526 -0.426 19872 5542 1 11 . 1 1 45 45 LEU N N 45 121.700 121.700 120.480 1.220 19872 5543 1 11 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.765 -0.195 19872 5544 1 11 . 1 1 45 45 LEU C C 45 177.300 177.300 178.902 -1.602 19872 5545 1 11 . 1 1 45 45 LEU CA C 45 56.500 56.500 57.831 -1.331 19872 5546 1 11 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.622 -1.122 19872 5547 1 11 . 1 1 46 46 ASP N N 46 118.000 118.000 119.292 -1.292 19872 5548 1 11 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.302 -0.272 19872 5549 1 11 . 1 1 46 46 ASP C C 46 176.800 176.800 177.882 -1.082 19872 5550 1 11 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.510 -0.910 19872 5551 1 11 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.825 0.775 19872 5552 1 11 . 1 1 47 47 ALA N N 47 116.100 116.100 120.533 -4.433 19872 5553 1 11 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.068 -0.178 19872 5554 1 11 . 1 1 47 47 ALA C C 47 180.300 180.300 179.477 0.823 19872 5555 1 11 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.709 -0.709 19872 5556 1 11 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.713 -1.313 19872 5557 1 11 . 1 1 48 48 LEU N N 48 117.800 117.800 119.562 -1.762 19872 5558 1 11 . 1 1 48 48 LEU HA H 48 3.840 3.840 4.073 -0.233 19872 5559 1 11 . 1 1 48 48 LEU C C 48 180.100 180.100 179.169 0.931 19872 5560 1 11 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.018 0.382 19872 5561 1 11 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.411 -0.511 19872 5562 1 11 . 1 1 49 49 VAL N N 49 112.100 112.100 113.702 -1.602 19872 5563 1 11 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.852 0.028 19872 5564 1 11 . 1 1 49 49 VAL C C 49 176.000 176.000 176.732 -0.732 19872 5565 1 11 . 1 1 49 49 VAL CA C 49 64.200 64.200 64.912 -0.712 19872 5566 1 11 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.270 -0.270 19872 5567 1 11 . 1 1 50 50 LYS N N 50 115.400 115.400 117.583 -2.183 19872 5568 1 11 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.523 -0.363 19872 5569 1 11 . 1 1 50 50 LYS C C 50 177.900 177.900 177.169 0.731 19872 5570 1 11 . 1 1 50 50 LYS CA C 50 56.200 56.200 54.815 1.385 19872 5571 1 11 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.575 0.825 19872 5572 1 11 . 1 1 51 51 LYS N N 51 119.000 119.000 119.399 -0.399 19872 5573 1 11 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.157 -0.237 19872 5574 1 11 . 1 1 51 51 LYS C C 51 174.700 174.700 176.474 -1.774 19872 5575 1 11 . 1 1 51 51 LYS CA C 51 58.000 58.000 58.289 -0.290 19872 5576 1 11 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.804 -0.504 19872 5577 1 11 . 1 1 52 52 ASP N N 52 113.400 113.400 115.872 -2.472 19872 5578 1 11 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.853 0.137 19872 5579 1 11 . 1 1 52 52 ASP C C 52 174.400 174.400 175.397 -0.997 19872 5580 1 11 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.466 -0.666 19872 5581 1 11 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.684 1.916 19872 5582 1 11 . 1 1 53 53 LYS N N 53 119.500 119.500 118.626 0.874 19872 5583 1 11 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.317 -0.307 19872 5584 1 11 . 1 1 53 53 LYS C C 53 176.100 176.100 175.499 0.601 19872 5585 1 11 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.647 2.154 19872 5586 1 11 . 1 1 53 53 LYS CB C 53 32.600 32.600 33.073 -0.473 19872 5587 1 11 . 1 1 54 54 VAL N N 54 117.700 117.700 119.743 -2.043 19872 5588 1 11 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.961 -0.341 19872 5589 1 11 . 1 1 54 54 VAL C C 54 173.700 173.700 174.034 -0.334 19872 5590 1 11 . 1 1 54 54 VAL CA C 54 60.900 60.900 60.168 0.732 19872 5591 1 11 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.003 -0.703 19872 5592 1 11 . 1 1 55 55 VAL N N 55 127.100 127.100 127.893 -0.793 19872 5593 1 11 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.916 0.034 19872 5594 1 11 . 1 1 55 55 VAL C C 55 174.400 174.400 174.858 -0.458 19872 5595 1 11 . 1 1 55 55 VAL CA C 55 60.600 60.600 60.634 -0.034 19872 5596 1 11 . 1 1 55 55 VAL CB C 55 35.200 35.200 33.754 1.446 19872 5597 1 11 . 1 1 56 56 VAL N N 56 119.700 119.700 127.123 -7.423 19872 5598 1 11 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.037 0.403 19872 5599 1 11 . 1 1 56 56 VAL C C 56 173.400 173.400 174.466 -1.066 19872 5600 1 11 . 1 1 56 56 VAL CA C 56 58.000 58.000 60.802 -2.802 19872 5601 1 11 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.740 0.059 19872 5602 1 11 . 1 1 57 57 PHE N N 57 122.400 122.400 124.317 -1.917 19872 5603 1 11 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.148 0.062 19872 5604 1 11 . 1 1 57 57 PHE C C 57 174.800 174.800 174.067 0.733 19872 5605 1 11 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.401 -1.001 19872 5606 1 11 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.055 -0.355 19872 5607 1 11 . 1 1 58 58 LEU N N 58 120.500 120.500 119.652 0.848 19872 5608 1 11 . 1 1 58 58 LEU HA H 58 4.700 4.700 4.991 -0.291 19872 5609 1 11 . 1 1 58 58 LEU C C 58 175.500 175.500 175.448 0.052 19872 5610 1 11 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.894 -0.894 19872 5611 1 11 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.609 -0.509 19872 5612 1 11 . 1 1 59 59 LYS N N 59 117.800 117.800 118.896 -1.096 19872 5613 1 11 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.391 -0.041 19872 5614 1 11 . 1 1 59 59 LYS C C 59 175.200 175.200 176.229 -1.029 19872 5615 1 11 . 1 1 59 59 LYS CA C 59 56.100 56.100 55.990 0.110 19872 5616 1 11 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.496 0.804 19872 5617 1 11 . 1 1 60 60 GLY N N 60 114.800 114.800 109.139 5.661 19872 5618 1 11 . 1 1 60 60 GLY C C 60 170.300 170.300 172.693 -2.393 19872 5619 1 11 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.208 -1.308 19872 5620 1 11 . 1 1 61 61 THR N N 61 107.800 107.800 109.874 -2.074 19872 5621 1 11 . 1 1 61 61 THR HA H 61 4.740 4.740 5.028 -0.288 19872 5622 1 11 . 1 1 61 61 THR C C 61 173.100 173.100 173.472 -0.372 19872 5623 1 11 . 1 1 61 61 THR CA C 61 57.400 57.400 58.762 -1.362 19872 5624 1 11 . 1 1 61 61 THR CB C 61 68.800 68.800 70.341 -1.541 19872 5625 1 11 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.412 -0.442 19872 5626 1 11 . 1 1 62 62 PRO C C 62 177.200 177.200 178.096 -0.896 19872 5627 1 11 . 1 1 62 62 PRO CA C 62 64.900 64.900 65.129 -0.229 19872 5628 1 11 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.432 -1.332 19872 5629 1 11 . 1 1 63 63 GLU N N 63 111.900 111.900 117.205 -5.305 19872 5630 1 11 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.240 -0.300 19872 5631 1 11 . 1 1 63 63 GLU C C 63 176.500 176.500 177.337 -0.837 19872 5632 1 11 . 1 1 63 63 GLU CA C 63 58.100 58.100 57.424 0.676 19872 5633 1 11 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.370 -0.170 19872 5634 1 11 . 1 1 64 64 GLN N N 64 117.700 117.700 119.176 -1.476 19872 5635 1 11 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.842 -0.362 19872 5636 1 11 . 1 1 64 64 GLN C C 64 171.500 171.500 173.421 -1.921 19872 5637 1 11 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.509 -0.109 19872 5638 1 11 . 1 1 64 64 GLN CB C 64 29.100 29.100 29.963 -0.863 19872 5639 1 11 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.497 0.053 19872 5640 1 11 . 1 1 65 65 PRO C C 65 177.900 177.900 176.858 1.042 19872 5641 1 11 . 1 1 65 65 PRO CA C 65 63.000 63.000 63.223 -0.223 19872 5642 1 11 . 1 1 65 65 PRO CB C 65 31.700 31.700 32.367 -0.667 19872 5643 1 11 . 1 1 66 66 GLN N N 66 119.700 119.700 121.549 -1.849 19872 5644 1 11 . 1 1 66 66 GLN HA H 66 4.500 4.500 4.175 0.325 19872 5645 1 11 . 1 1 66 66 GLN C C 66 174.400 174.400 175.279 -0.879 19872 5646 1 11 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.161 -2.561 19872 5647 1 11 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.905 0.195 19872 5648 1 11 . 1 1 67 67 CYS N N 67 116.700 116.700 117.326 -0.626 19872 5649 1 11 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.604 0.096 19872 5650 1 11 . 1 1 67 67 CYS C C 67 176.500 176.500 174.556 1.944 19872 5651 1 11 . 1 1 67 67 CYS CA C 67 58.700 58.700 58.084 0.617 19872 5652 1 11 . 1 1 67 67 CYS CB C 67 32.800 32.800 28.318 4.482 19872 5653 1 11 . 1 1 68 68 GLY C C 68 176.500 176.500 174.883 1.617 19872 5654 1 11 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.057 0.843 19872 5655 1 11 . 1 1 69 69 PHE N N 69 125.800 125.800 116.231 9.569 19872 5656 1 11 . 1 1 69 69 PHE HA H 69 4.710 4.710 3.953 0.757 19872 5657 1 11 . 1 1 69 69 PHE C C 69 178.300 178.300 177.512 0.788 19872 5658 1 11 . 1 1 69 69 PHE CA C 69 59.900 59.900 60.964 -1.064 19872 5659 1 11 . 1 1 69 69 PHE CB C 69 37.900 37.900 37.755 0.145 19872 5660 1 11 . 1 1 70 70 SER N N 70 124.200 124.200 115.569 8.631 19872 5661 1 11 . 1 1 70 70 SER HA H 70 3.980 3.980 4.015 -0.035 19872 5662 1 11 . 1 1 70 70 SER CA C 70 63.800 63.800 62.431 1.369 19872 5663 1 11 . 1 1 70 70 SER CB C 70 62.000 62.000 62.888 -0.888 19872 5664 1 11 . 1 1 71 71 ASN N N 71 118.500 118.500 119.511 -1.011 19872 5665 1 11 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.461 -0.311 19872 5666 1 11 . 1 1 71 71 ASN C C 71 175.800 175.800 177.164 -1.364 19872 5667 1 11 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.807 0.593 19872 5668 1 11 . 1 1 71 71 ASN CB C 71 38.800 38.800 37.223 1.577 19872 5669 1 11 . 1 1 72 72 ALA N N 72 119.900 119.900 124.662 -4.762 19872 5670 1 11 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.038 -0.058 19872 5671 1 11 . 1 1 72 72 ALA C C 72 179.700 179.700 179.796 -0.096 19872 5672 1 11 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.989 -0.189 19872 5673 1 11 . 1 1 72 72 ALA CB C 72 17.700 17.700 17.937 -0.237 19872 5674 1 11 . 1 1 73 73 VAL N N 73 115.700 115.700 114.694 1.006 19872 5675 1 11 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.710 -0.370 19872 5676 1 11 . 1 1 73 73 VAL C C 73 176.300 176.300 177.345 -1.045 19872 5677 1 11 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.773 0.427 19872 5678 1 11 . 1 1 73 73 VAL CB C 73 31.100 31.100 30.707 0.393 19872 5679 1 11 . 1 1 74 74 VAL N N 74 118.100 118.100 121.061 -2.961 19872 5680 1 11 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.619 -0.289 19872 5681 1 11 . 1 1 74 74 VAL C C 74 178.800 178.800 178.446 0.354 19872 5682 1 11 . 1 1 74 74 VAL CA C 74 66.100 66.100 65.834 0.266 19872 5683 1 11 . 1 1 74 74 VAL CB C 74 31.100 31.100 30.821 0.279 19872 5684 1 11 . 1 1 75 75 GLN N N 75 119.000 119.000 119.876 -0.876 19872 5685 1 11 . 1 1 75 75 GLN HA H 75 3.910 3.910 4.024 -0.114 19872 5686 1 11 . 1 1 75 75 GLN C C 75 178.500 178.500 178.886 -0.386 19872 5687 1 11 . 1 1 75 75 GLN CA C 75 57.900 57.900 58.498 -0.598 19872 5688 1 11 . 1 1 75 75 GLN CB C 75 27.100 27.100 27.874 -0.774 19872 5689 1 11 . 1 1 76 76 ILE N N 76 120.600 120.600 120.240 0.360 19872 5690 1 11 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.476 -0.156 19872 5691 1 11 . 1 1 76 76 ILE C C 76 177.600 177.600 178.178 -0.578 19872 5692 1 11 . 1 1 76 76 ILE CA C 76 64.700 64.700 64.946 -0.246 19872 5693 1 11 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.635 -0.735 19872 5694 1 11 . 1 1 77 77 LEU N N 77 117.800 117.800 120.089 -2.289 19872 5695 1 11 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.959 -0.229 19872 5696 1 11 . 1 1 77 77 LEU C C 77 178.400 178.400 179.132 -0.732 19872 5697 1 11 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.591 -0.491 19872 5698 1 11 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.542 -2.142 19872 5699 1 11 . 1 1 78 78 ARG N N 78 118.800 118.800 119.726 -0.926 19872 5700 1 11 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.310 -0.230 19872 5701 1 11 . 1 1 78 78 ARG C C 78 180.800 180.800 179.462 1.338 19872 5702 1 11 . 1 1 78 78 ARG CA C 78 58.900 58.900 58.851 0.049 19872 5703 1 11 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.819 -0.519 19872 5704 1 11 . 1 1 79 79 LEU N N 79 123.200 123.200 121.475 1.725 19872 5705 1 11 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.090 -0.200 19872 5706 1 11 . 1 1 79 79 LEU C C 79 178.200 178.200 178.608 -0.408 19872 5707 1 11 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.492 0.008 19872 5708 1 11 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.895 -0.395 19872 5709 1 11 . 1 1 80 80 HIS N N 80 112.200 112.200 115.279 -3.079 19872 5710 1 11 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.592 -0.492 19872 5711 1 11 . 1 1 80 80 HIS C C 80 176.000 176.000 176.539 -0.539 19872 5712 1 11 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.742 0.258 19872 5713 1 11 . 1 1 80 80 HIS CB C 80 31.700 31.700 29.892 1.808 19872 5714 1 11 . 1 1 81 81 GLY N N 81 111.700 111.700 107.772 3.928 19872 5715 1 11 . 1 1 81 81 GLY C C 81 174.000 174.000 174.142 -0.142 19872 5716 1 11 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.499 0.101 19872 5717 1 11 . 1 1 82 82 VAL N N 82 120.400 120.400 122.664 -2.264 19872 5718 1 11 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.285 -0.475 19872 5719 1 11 . 1 1 82 82 VAL C C 82 174.800 174.800 175.375 -0.575 19872 5720 1 11 . 1 1 82 82 VAL CA C 82 62.200 62.200 61.730 0.470 19872 5721 1 11 . 1 1 82 82 VAL CB C 82 29.700 29.700 31.879 -2.179 19872 5722 1 11 . 1 1 83 83 ARG N N 83 126.600 126.600 124.420 2.180 19872 5723 1 11 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.122 0.238 19872 5724 1 11 . 1 1 83 83 ARG C C 83 176.000 176.000 175.499 0.501 19872 5725 1 11 . 1 1 83 83 ARG CA C 83 55.600 55.600 56.053 -0.453 19872 5726 1 11 . 1 1 83 83 ARG CB C 83 31.100 31.100 31.017 0.083 19872 5727 1 11 . 1 1 84 84 ASP N N 84 118.400 118.400 119.227 -0.827 19872 5728 1 11 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.438 0.112 19872 5729 1 11 . 1 1 84 84 ASP C C 84 174.200 174.200 175.419 -1.219 19872 5730 1 11 . 1 1 84 84 ASP CA C 84 53.000 53.000 53.718 -0.718 19872 5731 1 11 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.212 -0.212 19872 5732 1 11 . 1 1 85 85 TYR N N 85 116.200 116.200 114.869 1.331 19872 5733 1 11 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.995 -0.245 19872 5734 1 11 . 1 1 85 85 TYR C C 85 173.100 173.100 175.794 -2.694 19872 5735 1 11 . 1 1 85 85 TYR CA C 85 55.000 55.000 55.806 -0.806 19872 5736 1 11 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.885 0.315 19872 5737 1 11 . 1 1 86 86 ALA N N 86 125.000 125.000 124.197 0.803 19872 5738 1 11 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.584 -0.364 19872 5739 1 11 . 1 1 86 86 ALA C C 86 174.300 174.300 175.565 -1.265 19872 5740 1 11 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.901 -0.101 19872 5741 1 11 . 1 1 86 86 ALA CB C 86 20.400 20.400 19.801 0.599 19872 5742 1 11 . 1 1 87 87 ALA N N 87 124.400 124.400 129.199 -4.799 19872 5743 1 11 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.567 0.603 19872 5744 1 11 . 1 1 87 87 ALA C C 87 175.400 175.400 176.053 -0.653 19872 5745 1 11 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.883 -1.983 19872 5746 1 11 . 1 1 87 87 ALA CB C 87 21.400 21.400 19.010 2.390 19872 5747 1 11 . 1 1 88 88 TYR N N 88 121.100 121.100 124.750 -3.650 19872 5748 1 11 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.345 0.145 19872 5749 1 11 . 1 1 88 88 TYR C C 88 174.100 174.100 175.097 -0.997 19872 5750 1 11 . 1 1 88 88 TYR CA C 88 56.900 56.900 57.836 -0.936 19872 5751 1 11 . 1 1 88 88 TYR CB C 88 40.200 40.200 39.400 0.800 19872 5752 1 11 . 1 1 89 89 ASN N N 89 122.300 122.300 124.461 -2.161 19872 5753 1 11 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.158 0.032 19872 5754 1 11 . 1 1 89 89 ASN C C 89 178.000 178.000 176.555 1.445 19872 5755 1 11 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.788 -1.988 19872 5756 1 11 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.928 -0.928 19872 5757 1 11 . 1 1 90 90 VAL N N 90 117.900 117.900 122.131 -4.231 19872 5758 1 11 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.093 0.087 19872 5759 1 11 . 1 1 90 90 VAL C C 90 176.700 176.700 176.012 0.688 19872 5760 1 11 . 1 1 90 90 VAL CA C 90 62.200 62.200 63.740 -1.540 19872 5761 1 11 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.279 -0.779 19872 5762 1 11 . 1 1 91 91 LEU N N 91 118.900 118.900 119.864 -0.964 19872 5763 1 11 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.063 -0.003 19872 5764 1 11 . 1 1 91 91 LEU C C 91 177.500 177.500 178.309 -0.809 19872 5765 1 11 . 1 1 91 91 LEU CA C 91 56.000 56.000 56.908 -0.908 19872 5766 1 11 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.349 -0.949 19872 5767 1 11 . 1 1 92 92 ASP N N 92 115.500 115.500 118.672 -3.172 19872 5768 1 11 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.670 0.000 19872 5769 1 11 . 1 1 92 92 ASP C C 92 175.500 175.500 176.064 -0.564 19872 5770 1 11 . 1 1 92 92 ASP CA C 92 54.100 54.100 55.785 -1.685 19872 5771 1 11 . 1 1 92 92 ASP CB C 92 41.000 41.000 42.076 -1.076 19872 5772 1 11 . 1 1 93 93 ASP N N 93 115.000 115.000 118.717 -3.717 19872 5773 1 11 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.078 -0.048 19872 5774 1 11 . 1 1 93 93 ASP C C 93 172.800 172.800 175.070 -2.270 19872 5775 1 11 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.540 -1.040 19872 5776 1 11 . 1 1 93 93 ASP CB C 93 41.900 41.900 42.779 -0.879 19872 5777 1 11 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.271 -0.001 19872 5778 1 11 . 1 1 94 94 PRO C C 94 179.300 179.300 178.430 0.870 19872 5779 1 11 . 1 1 94 94 PRO CA C 94 64.100 64.100 65.009 -0.909 19872 5780 1 11 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.434 -0.634 19872 5781 1 11 . 1 1 95 95 GLU N N 95 118.600 118.600 118.333 0.267 19872 5782 1 11 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.124 -0.084 19872 5783 1 11 . 1 1 95 95 GLU C C 95 179.500 179.500 178.926 0.574 19872 5784 1 11 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.320 -0.720 19872 5785 1 11 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.925 -0.326 19872 5786 1 11 . 1 1 96 96 LEU N N 96 123.800 123.800 120.277 3.523 19872 5787 1 11 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.047 -0.157 19872 5788 1 11 . 1 1 96 96 LEU C C 96 177.200 177.200 178.802 -1.602 19872 5789 1 11 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.446 -0.346 19872 5790 1 11 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.816 -0.517 19872 5791 1 11 . 1 1 97 97 ARG N N 97 117.900 117.900 119.389 -1.489 19872 5792 1 11 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.910 -0.370 19872 5793 1 11 . 1 1 97 97 ARG C C 97 176.400 176.400 178.319 -1.919 19872 5794 1 11 . 1 1 97 97 ARG CA C 97 59.900 59.900 59.974 -0.074 19872 5795 1 11 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.006 0.394 19872 5796 1 11 . 1 1 98 98 GLN N N 98 114.400 114.400 118.414 -4.014 19872 5797 1 11 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.071 -0.251 19872 5798 1 11 . 1 1 98 98 GLN C C 98 177.500 177.500 178.403 -0.903 19872 5799 1 11 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.980 -2.080 19872 5800 1 11 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.546 -0.546 19872 5801 1 11 . 1 1 99 99 GLY N N 99 107.700 107.700 107.351 0.349 19872 5802 1 11 . 1 1 99 99 GLY C C 99 176.700 176.700 176.182 0.518 19872 5803 1 11 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.029 -0.529 19872 5804 1 11 . 1 1 100 100 ILE N N 100 120.900 120.900 122.402 -1.502 19872 5805 1 11 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.863 0.117 19872 5806 1 11 . 1 1 100 100 ILE C C 100 176.800 176.800 177.311 -0.511 19872 5807 1 11 . 1 1 100 100 ILE CA C 100 60.500 60.500 60.934 -0.434 19872 5808 1 11 . 1 1 100 100 ILE CB C 100 37.500 37.500 37.956 -0.456 19872 5809 1 11 . 1 1 101 101 LYS N N 101 124.600 124.600 121.536 3.064 19872 5810 1 11 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.259 -0.179 19872 5811 1 11 . 1 1 101 101 LYS C C 101 178.900 178.900 178.976 -0.076 19872 5812 1 11 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.946 -1.246 19872 5813 1 11 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.093 -0.293 19872 5814 1 11 . 1 1 102 102 ASP N N 102 118.700 118.700 119.714 -1.014 19872 5815 1 11 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.469 -0.219 19872 5816 1 11 . 1 1 102 102 ASP C C 102 177.700 177.700 178.864 -1.164 19872 5817 1 11 . 1 1 102 102 ASP CA C 102 56.200 56.200 57.151 -0.951 19872 5818 1 11 . 1 1 102 102 ASP CB C 102 39.700 39.700 40.837 -1.137 19872 5819 1 11 . 1 1 103 103 TYR N N 103 120.300 120.300 120.269 0.031 19872 5820 1 11 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.263 -0.203 19872 5821 1 11 . 1 1 103 103 TYR C C 103 176.600 176.600 177.512 -0.912 19872 5822 1 11 . 1 1 103 103 TYR CA C 103 60.500 60.500 60.981 -0.481 19872 5823 1 11 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.750 1.150 19872 5824 1 11 . 1 1 104 104 SER N N 104 110.900 110.900 114.070 -3.170 19872 5825 1 11 . 1 1 104 104 SER HA H 104 3.900 3.900 4.885 -0.985 19872 5826 1 11 . 1 1 104 104 SER C C 104 174.600 174.600 174.530 0.070 19872 5827 1 11 . 1 1 104 104 SER CA C 104 57.700 57.700 60.005 -2.305 19872 5828 1 11 . 1 1 104 104 SER CB C 104 63.900 63.900 64.017 -0.117 19872 5829 1 11 . 1 1 105 105 ASN N N 105 117.900 117.900 116.835 1.065 19872 5830 1 11 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.494 -0.294 19872 5831 1 11 . 1 1 105 105 ASN C C 105 173.200 173.200 174.013 -0.813 19872 5832 1 11 . 1 1 105 105 ASN CA C 105 53.800 53.800 54.802 -1.002 19872 5833 1 11 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.000 -0.800 19872 5834 1 11 . 1 1 106 106 TRP N N 106 120.600 120.600 118.332 2.268 19872 5835 1 11 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.057 0.023 19872 5836 1 11 . 1 1 106 106 TRP C C 106 175.400 175.400 174.543 0.857 19872 5837 1 11 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.296 -1.796 19872 5838 1 11 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.326 -0.326 19872 5839 1 11 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.267 -0.097 19872 5840 1 11 . 1 1 107 107 PRO C C 107 175.900 175.900 176.394 -0.494 19872 5841 1 11 . 1 1 107 107 PRO CA C 107 63.700 63.700 65.147 -1.448 19872 5842 1 11 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.056 -0.456 19872 5843 1 11 . 1 1 108 108 THR N N 108 110.500 110.500 112.573 -2.073 19872 5844 1 11 . 1 1 108 108 THR HA H 108 4.300 4.300 4.459 -0.159 19872 5845 1 11 . 1 1 108 108 THR C C 108 171.400 171.400 173.066 -1.666 19872 5846 1 11 . 1 1 108 108 THR CA C 108 60.400 60.400 62.234 -1.834 19872 5847 1 11 . 1 1 108 108 THR CB C 108 70.400 70.400 69.805 0.595 19872 5848 1 11 . 1 1 109 109 ILE N N 109 123.100 123.100 125.109 -2.009 19872 5849 1 11 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.471 -0.211 19872 5850 1 11 . 1 1 109 109 ILE C C 109 175.000 175.000 173.555 1.445 19872 5851 1 11 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.429 -1.529 19872 5852 1 11 . 1 1 109 109 ILE CB C 109 40.100 40.100 41.370 -1.270 19872 5853 1 11 . 1 1 110 110 PRO HA H 110 5.340 5.340 4.964 0.376 19872 5854 1 11 . 1 1 110 110 PRO C C 110 175.600 175.600 175.403 0.197 19872 5855 1 11 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.278 -0.778 19872 5856 1 11 . 1 1 110 110 PRO CB C 110 37.500 37.500 33.816 3.684 19872 5857 1 11 . 1 1 111 111 GLN N N 111 114.700 114.700 117.929 -3.229 19872 5858 1 11 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.111 -0.181 19872 5859 1 11 . 1 1 111 111 GLN C C 111 174.100 174.100 173.407 0.693 19872 5860 1 11 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.035 1.365 19872 5861 1 11 . 1 1 111 111 GLN CB C 111 33.900 33.900 32.063 1.837 19872 5862 1 11 . 1 1 112 112 VAL N N 112 121.000 121.000 119.508 1.492 19872 5863 1 11 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.164 -0.384 19872 5864 1 11 . 1 1 112 112 VAL C C 112 172.300 172.300 173.385 -1.085 19872 5865 1 11 . 1 1 112 112 VAL CA C 112 61.200 61.200 59.594 1.606 19872 5866 1 11 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.456 -1.956 19872 5867 1 11 . 1 1 113 113 TYR N N 113 128.400 128.400 125.155 3.245 19872 5868 1 11 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.177 -0.207 19872 5869 1 11 . 1 1 113 113 TYR C C 113 173.800 173.800 174.532 -0.732 19872 5870 1 11 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.312 0.388 19872 5871 1 11 . 1 1 113 113 TYR CB C 113 41.000 41.000 40.885 0.115 19872 5872 1 11 . 1 1 114 114 LEU N N 114 117.900 117.900 123.767 -5.867 19872 5873 1 11 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.136 0.194 19872 5874 1 11 . 1 1 114 114 LEU C C 114 178.300 178.300 177.465 0.835 19872 5875 1 11 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.856 -1.756 19872 5876 1 11 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.815 -0.515 19872 5877 1 11 . 1 1 115 115 ASN N N 115 125.000 125.000 122.918 2.082 19872 5878 1 11 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.241 0.259 19872 5879 1 11 . 1 1 115 115 ASN C C 115 175.500 175.500 175.189 0.311 19872 5880 1 11 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.044 -1.344 19872 5881 1 11 . 1 1 115 115 ASN CB C 115 38.700 38.700 37.822 0.878 19872 5882 1 11 . 1 1 116 116 GLY N N 116 105.000 105.000 102.244 2.756 19872 5883 1 11 . 1 1 116 116 GLY C C 116 172.900 172.900 173.110 -0.210 19872 5884 1 11 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.661 -0.561 19872 5885 1 11 . 1 1 117 117 GLU N N 117 118.900 118.900 119.362 -0.462 19872 5886 1 11 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.897 -0.147 19872 5887 1 11 . 1 1 117 117 GLU C C 117 174.700 174.700 174.731 -0.031 19872 5888 1 11 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.052 -0.052 19872 5889 1 11 . 1 1 117 117 GLU CB C 117 31.600 31.600 33.035 -1.435 19872 5890 1 11 . 1 1 118 118 PHE N N 118 124.400 124.400 124.906 -0.506 19872 5891 1 11 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.487 -1.297 19872 5892 1 11 . 1 1 118 118 PHE C C 118 175.500 175.500 175.041 0.459 19872 5893 1 11 . 1 1 118 118 PHE CA C 118 57.500 57.500 57.479 0.021 19872 5894 1 11 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.399 -1.299 19872 5895 1 11 . 1 1 119 119 VAL N N 119 126.900 126.900 126.821 0.079 19872 5896 1 11 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.243 -0.533 19872 5897 1 11 . 1 1 119 119 VAL C C 119 174.200 174.200 174.529 -0.329 19872 5898 1 11 . 1 1 119 119 VAL CA C 119 61.900 61.900 62.076 -0.176 19872 5899 1 11 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.691 -2.292 19872 5900 1 11 . 1 1 120 120 GLY N N 120 101.400 101.400 105.964 -4.564 19872 5901 1 11 . 1 1 120 120 GLY CA C 120 44.100 44.100 45.010 -0.910 19872 5902 1 11 . 1 1 121 121 GLY N N 121 106.300 106.300 106.321 -0.021 19872 5903 1 11 . 1 1 121 121 GLY C C 121 173.100 173.100 175.027 -1.927 19872 5904 1 11 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.779 -0.579 19872 5905 1 11 . 1 1 122 122 CYS N N 122 119.400 119.400 119.361 0.039 19872 5906 1 11 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.111 -0.451 19872 5907 1 11 . 1 1 122 122 CYS C C 122 174.800 174.800 176.177 -1.377 19872 5908 1 11 . 1 1 122 122 CYS CA C 122 61.800 61.800 61.880 -0.081 19872 5909 1 11 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.846 -0.246 19872 5910 1 11 . 1 1 123 123 ASP N N 123 117.700 117.700 119.611 -1.911 19872 5911 1 11 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.444 -0.204 19872 5912 1 11 . 1 1 123 123 ASP C C 123 179.100 179.100 177.842 1.258 19872 5913 1 11 . 1 1 123 123 ASP CA C 123 57.700 57.700 56.815 0.885 19872 5914 1 11 . 1 1 123 123 ASP CB C 123 39.200 39.200 41.025 -1.825 19872 5915 1 11 . 1 1 124 124 ILE N N 124 120.700 120.700 120.277 0.423 19872 5916 1 11 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.797 -0.077 19872 5917 1 11 . 1 1 124 124 ILE C C 124 177.200 177.200 177.964 -0.764 19872 5918 1 11 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.834 0.266 19872 5919 1 11 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.348 -0.348 19872 5920 1 11 . 1 1 125 125 LEU N N 125 122.000 122.000 121.685 0.315 19872 5921 1 11 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.998 -0.168 19872 5922 1 11 . 1 1 125 125 LEU C C 125 178.800 178.800 178.391 0.409 19872 5923 1 11 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.540 -1.140 19872 5924 1 11 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.656 -0.856 19872 5925 1 11 . 1 1 126 126 LEU N N 126 118.200 118.200 115.890 2.310 19872 5926 1 11 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.129 -0.169 19872 5927 1 11 . 1 1 126 126 LEU C C 126 179.100 179.100 178.143 0.957 19872 5928 1 11 . 1 1 126 126 LEU CA C 126 57.800 57.800 56.741 1.059 19872 5929 1 11 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.856 -0.056 19872 5930 1 11 . 1 1 127 127 GLN N N 127 119.900 119.900 117.747 2.153 19872 5931 1 11 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.247 -0.277 19872 5932 1 11 . 1 1 127 127 GLN C C 127 178.200 178.200 178.092 0.108 19872 5933 1 11 . 1 1 127 127 GLN CA C 127 59.000 59.000 57.916 1.084 19872 5934 1 11 . 1 1 127 127 GLN CB C 127 27.900 27.900 29.027 -1.127 19872 5935 1 11 . 1 1 128 128 MET N N 128 117.500 117.500 118.789 -1.289 19872 5936 1 11 . 1 1 128 128 MET HA H 128 4.360 4.360 4.140 0.220 19872 5937 1 11 . 1 1 128 128 MET C C 128 179.600 179.600 178.740 0.860 19872 5938 1 11 . 1 1 128 128 MET CA C 128 57.800 57.800 59.005 -1.205 19872 5939 1 11 . 1 1 128 128 MET CB C 128 33.500 33.500 32.518 0.982 19872 5940 1 11 . 1 1 129 129 HIS N N 129 122.300 122.300 119.883 2.417 19872 5941 1 11 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.354 -0.004 19872 5942 1 11 . 1 1 129 129 HIS C C 129 177.000 177.000 177.593 -0.593 19872 5943 1 11 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.027 -0.827 19872 5944 1 11 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.782 1.318 19872 5945 1 11 . 1 1 130 130 GLN N N 130 116.700 116.700 117.091 -0.391 19872 5946 1 11 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.063 -0.303 19872 5947 1 11 . 1 1 130 130 GLN C C 130 177.600 177.600 177.753 -0.153 19872 5948 1 11 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.264 0.536 19872 5949 1 11 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.162 -0.862 19872 5950 1 11 . 1 1 131 131 ASN N N 131 114.200 114.200 117.863 -3.663 19872 5951 1 11 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.617 0.003 19872 5952 1 11 . 1 1 131 131 ASN C C 131 176.600 176.600 176.276 0.324 19872 5953 1 11 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.714 -1.414 19872 5954 1 11 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.300 -1.300 19872 5955 1 11 . 1 1 132 132 GLY N N 132 106.600 106.600 106.200 0.400 19872 5956 1 11 . 1 1 132 132 GLY C C 132 175.300 175.300 174.539 0.761 19872 5957 1 11 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.073 0.127 19872 5958 1 11 . 1 1 133 133 ASP N N 133 122.900 122.900 121.069 1.831 19872 5959 1 11 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.649 -0.279 19872 5960 1 11 . 1 1 133 133 ASP C C 133 178.700 178.700 177.754 0.946 19872 5961 1 11 . 1 1 133 133 ASP CA C 133 56.700 56.700 55.709 0.992 19872 5962 1 11 . 1 1 133 133 ASP CB C 133 40.000 40.000 41.023 -1.023 19872 5963 1 11 . 1 1 134 134 LEU N N 134 118.900 118.900 118.874 0.026 19872 5964 1 11 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.104 -0.324 19872 5965 1 11 . 1 1 134 134 LEU C C 134 177.300 177.300 177.852 -0.552 19872 5966 1 11 . 1 1 134 134 LEU CA C 134 57.300 57.300 56.972 0.328 19872 5967 1 11 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.732 -1.732 19872 5968 1 11 . 1 1 135 135 VAL N N 135 116.600 116.600 118.958 -2.358 19872 5969 1 11 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.657 -0.257 19872 5970 1 11 . 1 1 135 135 VAL C C 135 178.300 178.300 177.635 0.665 19872 5971 1 11 . 1 1 135 135 VAL CA C 135 66.800 66.800 66.970 -0.170 19872 5972 1 11 . 1 1 135 135 VAL CB C 135 31.200 31.200 31.421 -0.221 19872 5973 1 11 . 1 1 136 136 GLU N N 136 118.600 118.600 119.495 -0.895 19872 5974 1 11 . 1 1 136 136 GLU HA H 136 4.020 4.020 3.996 0.024 19872 5975 1 11 . 1 1 136 136 GLU C C 136 178.800 178.800 179.240 -0.440 19872 5976 1 11 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.646 -1.646 19872 5977 1 11 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.870 -0.370 19872 5978 1 11 . 1 1 137 137 GLU N N 137 119.500 119.500 119.526 -0.026 19872 5979 1 11 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.146 -0.256 19872 5980 1 11 . 1 1 137 137 GLU C C 137 179.500 179.500 179.324 0.176 19872 5981 1 11 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.531 -0.531 19872 5982 1 11 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.341 -0.741 19872 5983 1 11 . 1 1 138 138 LEU N N 138 117.400 117.400 120.451 -3.051 19872 5984 1 11 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.970 -0.080 19872 5985 1 11 . 1 1 138 138 LEU C C 138 179.200 179.200 179.022 0.178 19872 5986 1 11 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.861 -0.361 19872 5987 1 11 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.762 -2.462 19872 5988 1 11 . 1 1 139 139 LYS N N 139 121.100 121.100 119.377 1.723 19872 5989 1 11 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.080 -0.230 19872 5990 1 11 . 1 1 139 139 LYS C C 139 180.900 180.900 179.833 1.067 19872 5991 1 11 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.493 0.107 19872 5992 1 11 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.178 -0.378 19872 5993 1 11 . 1 1 140 140 LYS N N 140 119.800 119.800 120.321 -0.521 19872 5994 1 11 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.136 -0.196 19872 5995 1 11 . 1 1 140 140 LYS C C 140 177.600 177.600 178.095 -0.495 19872 5996 1 11 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.958 -0.258 19872 5997 1 11 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.275 -0.375 19872 5998 1 11 . 1 1 141 141 LEU N N 141 116.600 116.600 116.499 0.101 19872 5999 1 11 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.499 -0.179 19872 6000 1 11 . 1 1 141 141 LEU C C 141 176.400 176.400 177.298 -0.898 19872 6001 1 11 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.730 -1.130 19872 6002 1 11 . 1 1 141 141 LEU CB C 141 42.000 42.000 42.566 -0.566 19872 6003 1 11 . 1 1 142 142 GLY N N 142 107.200 107.200 108.017 -0.817 19872 6004 1 11 . 1 1 142 142 GLY C C 142 173.900 173.900 174.680 -0.780 19872 6005 1 11 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.501 -0.501 19872 6006 1 11 . 1 1 143 143 ILE N N 143 121.600 121.600 120.979 0.621 19872 6007 1 11 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.124 -0.104 19872 6008 1 11 . 1 1 143 143 ILE C C 143 173.900 173.900 175.544 -1.644 19872 6009 1 11 . 1 1 143 143 ILE CA C 143 60.000 60.000 60.938 -0.938 19872 6010 1 11 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.779 -0.079 19872 6011 1 11 . 1 1 144 144 HIS N N 144 128.000 128.000 127.453 0.547 19872 6012 1 11 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.572 -0.232 19872 6013 1 11 . 1 1 144 144 HIS C C 144 173.800 173.800 174.407 -0.607 19872 6014 1 11 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.903 -1.603 19872 6015 1 11 . 1 1 144 144 HIS CB C 144 28.600 28.600 29.680 -1.080 19872 6016 1 11 . 1 1 145 145 SER N N 145 121.400 121.400 122.549 -1.149 19872 6017 1 11 . 1 1 145 145 SER HA H 145 4.470 4.470 4.553 -0.083 19872 6018 1 11 . 1 1 145 145 SER CA C 145 57.800 57.800 58.627 -0.827 19872 6019 1 11 . 1 1 145 145 SER CB C 145 62.200 62.200 64.498 -2.298 19872 6020 1 11 . 1 1 146 146 ALA N N 146 130.100 130.100 129.623 0.477 19872 6021 1 11 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.404 -0.224 19872 6022 1 11 . 1 1 146 146 ALA C C 146 178.100 178.100 178.136 -0.036 19872 6023 1 11 . 1 1 146 146 ALA CA C 146 52.900 52.900 53.548 -0.648 19872 6024 1 11 . 1 1 146 146 ALA CB C 146 17.700 17.700 19.141 -1.441 19872 6025 1 11 . 1 1 147 147 LEU N N 147 117.800 117.800 117.441 0.359 19872 6026 1 11 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.355 -0.295 19872 6027 1 11 . 1 1 147 147 LEU C C 147 177.700 177.700 178.154 -0.454 19872 6028 1 11 . 1 1 147 147 LEU CA C 147 55.100 55.100 54.852 0.248 19872 6029 1 11 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.670 -1.270 19872 6030 1 11 . 1 1 148 148 LEU N N 148 120.100 120.100 120.530 -0.430 19872 6031 1 11 . 1 1 148 148 LEU HA H 148 4.180 4.180 3.963 0.217 19872 6032 1 11 . 1 1 148 148 LEU C C 148 176.500 176.500 177.419 -0.919 19872 6033 1 11 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.071 -2.371 19872 6034 1 11 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.744 0.256 19872 6035 1 11 . 1 1 149 149 ASP N N 149 121.900 121.900 116.587 5.313 19872 6036 1 11 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.820 -0.220 19872 6037 1 11 . 1 1 149 149 ASP C C 149 174.800 174.800 175.609 -0.809 19872 6038 1 11 . 1 1 149 149 ASP CA C 149 53.900 53.900 53.887 0.013 19872 6039 1 11 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.715 -1.115 19872 6040 1 12 . 1 1 2 2 SER HA H 2 4.360 4.360 4.904 -0.544 19872 6041 1 12 . 1 1 2 2 SER C C 2 173.800 173.800 172.944 0.856 19872 6042 1 12 . 1 1 2 2 SER CA C 2 58.000 58.000 58.114 -0.113 19872 6043 1 12 . 1 1 2 2 SER CB C 2 63.100 63.100 65.406 -2.306 19872 6044 1 12 . 1 1 3 3 PHE N N 3 122.000 122.000 122.021 -0.021 19872 6045 1 12 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.863 -0.253 19872 6046 1 12 . 1 1 3 3 PHE C C 3 175.300 175.300 174.574 0.726 19872 6047 1 12 . 1 1 3 3 PHE CA C 3 57.300 57.300 58.499 -1.199 19872 6048 1 12 . 1 1 3 3 PHE CB C 3 39.300 39.300 40.386 -1.086 19872 6049 1 12 . 1 1 4 4 THR N N 4 116.900 116.900 119.307 -2.407 19872 6050 1 12 . 1 1 4 4 THR HA H 4 4.180 4.180 4.173 0.007 19872 6051 1 12 . 1 1 4 4 THR C C 4 173.800 173.800 173.549 0.251 19872 6052 1 12 . 1 1 4 4 THR CA C 4 61.000 61.000 60.187 0.813 19872 6053 1 12 . 1 1 4 4 THR CB C 4 69.300 69.300 70.649 -1.349 19872 6054 1 12 . 1 1 36 36 ALA N N 36 123.600 123.600 124.720 -1.120 19872 6055 1 12 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.102 0.128 19872 6056 1 12 . 1 1 36 36 ALA C C 36 178.100 178.100 176.770 1.330 19872 6057 1 12 . 1 1 36 36 ALA CA C 36 52.000 52.000 52.792 -0.792 19872 6058 1 12 . 1 1 36 36 ALA CB C 36 18.700 18.700 18.925 -0.225 19872 6059 1 12 . 1 1 37 37 GLY N N 37 108.200 108.200 107.443 0.757 19872 6060 1 12 . 1 1 37 37 GLY C C 37 174.500 174.500 173.066 1.434 19872 6061 1 12 . 1 1 37 37 GLY CA C 37 44.800 44.800 44.900 -0.100 19872 6062 1 12 . 1 1 38 38 GLY N N 38 108.200 108.200 107.411 0.789 19872 6063 1 12 . 1 1 38 38 GLY C C 38 174.500 174.500 174.011 0.489 19872 6064 1 12 . 1 1 38 38 GLY CA C 38 44.700 44.700 45.234 -0.534 19872 6065 1 12 . 1 1 39 39 GLY N N 39 108.600 108.600 107.831 0.769 19872 6066 1 12 . 1 1 39 39 GLY C C 39 174.100 174.100 175.509 -1.409 19872 6067 1 12 . 1 1 39 39 GLY CA C 39 44.800 44.800 45.756 -0.956 19872 6068 1 12 . 1 1 40 40 GLY N N 40 107.700 107.700 112.700 -5.000 19872 6069 1 12 . 1 1 40 40 GLY C C 40 174.100 174.100 174.913 -0.813 19872 6070 1 12 . 1 1 40 40 GLY CA C 40 44.700 44.700 45.352 -0.652 19872 6071 1 12 . 1 1 41 41 SER N N 41 115.700 115.700 115.854 -0.154 19872 6072 1 12 . 1 1 41 41 SER HA H 41 4.220 4.220 4.516 -0.296 19872 6073 1 12 . 1 1 41 41 SER C C 41 174.800 174.800 174.819 -0.019 19872 6074 1 12 . 1 1 41 41 SER CA C 41 58.400 58.400 57.389 1.011 19872 6075 1 12 . 1 1 41 41 SER CB C 41 63.100 63.100 64.968 -1.868 19872 6076 1 12 . 1 1 42 42 ALA N N 42 124.700 124.700 126.571 -1.871 19872 6077 1 12 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.195 -0.245 19872 6078 1 12 . 1 1 42 42 ALA C C 42 178.800 178.800 179.376 -0.576 19872 6079 1 12 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.423 -0.723 19872 6080 1 12 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.285 -0.585 19872 6081 1 12 . 1 1 43 43 GLU N N 43 116.700 116.700 116.888 -0.188 19872 6082 1 12 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.098 -0.148 19872 6083 1 12 . 1 1 43 43 GLU C C 43 178.800 178.800 178.465 0.335 19872 6084 1 12 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.925 -0.425 19872 6085 1 12 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.890 -0.290 19872 6086 1 12 . 1 1 44 44 GLN N N 44 119.400 119.400 119.747 -0.347 19872 6087 1 12 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.219 -0.249 19872 6088 1 12 . 1 1 44 44 GLN C C 44 178.200 178.200 177.986 0.214 19872 6089 1 12 . 1 1 44 44 GLN CA C 44 57.600 57.600 58.002 -0.402 19872 6090 1 12 . 1 1 44 44 GLN CB C 44 28.100 28.100 29.032 -0.932 19872 6091 1 12 . 1 1 45 45 LEU N N 45 121.700 121.700 121.044 0.656 19872 6092 1 12 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.787 -0.217 19872 6093 1 12 . 1 1 45 45 LEU C C 45 177.300 177.300 178.852 -1.552 19872 6094 1 12 . 1 1 45 45 LEU CA C 45 56.500 56.500 58.117 -1.617 19872 6095 1 12 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.766 -1.266 19872 6096 1 12 . 1 1 46 46 ASP N N 46 118.000 118.000 118.983 -0.983 19872 6097 1 12 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.387 -0.357 19872 6098 1 12 . 1 1 46 46 ASP C C 46 176.800 176.800 177.817 -1.017 19872 6099 1 12 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.398 -0.798 19872 6100 1 12 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.870 0.730 19872 6101 1 12 . 1 1 47 47 ALA N N 47 116.100 116.100 121.447 -5.347 19872 6102 1 12 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.248 -0.358 19872 6103 1 12 . 1 1 47 47 ALA C C 47 180.300 180.300 179.408 0.892 19872 6104 1 12 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.511 -0.511 19872 6105 1 12 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.536 -1.136 19872 6106 1 12 . 1 1 48 48 LEU N N 48 117.800 117.800 118.835 -1.035 19872 6107 1 12 . 1 1 48 48 LEU HA H 48 3.840 3.840 4.058 -0.218 19872 6108 1 12 . 1 1 48 48 LEU C C 48 180.100 180.100 179.169 0.931 19872 6109 1 12 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.456 -0.056 19872 6110 1 12 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.505 -0.605 19872 6111 1 12 . 1 1 49 49 VAL N N 49 112.100 112.100 114.757 -2.657 19872 6112 1 12 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.859 0.021 19872 6113 1 12 . 1 1 49 49 VAL C C 49 176.000 176.000 177.195 -1.195 19872 6114 1 12 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.407 -1.208 19872 6115 1 12 . 1 1 49 49 VAL CB C 49 31.000 31.000 30.542 0.458 19872 6116 1 12 . 1 1 50 50 LYS N N 50 115.400 115.400 117.357 -1.957 19872 6117 1 12 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.344 -0.184 19872 6118 1 12 . 1 1 50 50 LYS C C 50 177.900 177.900 176.919 0.981 19872 6119 1 12 . 1 1 50 50 LYS CA C 50 56.200 56.200 55.887 0.313 19872 6120 1 12 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.349 1.051 19872 6121 1 12 . 1 1 51 51 LYS N N 51 119.000 119.000 118.812 0.188 19872 6122 1 12 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.217 -0.297 19872 6123 1 12 . 1 1 51 51 LYS C C 51 174.700 174.700 176.786 -2.086 19872 6124 1 12 . 1 1 51 51 LYS CA C 51 58.000 58.000 57.702 0.298 19872 6125 1 12 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.701 -0.401 19872 6126 1 12 . 1 1 52 52 ASP N N 52 113.400 113.400 116.508 -3.108 19872 6127 1 12 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.693 0.297 19872 6128 1 12 . 1 1 52 52 ASP C C 52 174.400 174.400 175.911 -1.511 19872 6129 1 12 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.671 -0.871 19872 6130 1 12 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.943 1.657 19872 6131 1 12 . 1 1 53 53 LYS N N 53 119.500 119.500 119.046 0.454 19872 6132 1 12 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.298 -0.288 19872 6133 1 12 . 1 1 53 53 LYS C C 53 176.100 176.100 175.501 0.599 19872 6134 1 12 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.850 1.950 19872 6135 1 12 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.924 -0.324 19872 6136 1 12 . 1 1 54 54 VAL N N 54 117.700 117.700 119.450 -1.750 19872 6137 1 12 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.859 -0.239 19872 6138 1 12 . 1 1 54 54 VAL C C 54 173.700 173.700 173.964 -0.264 19872 6139 1 12 . 1 1 54 54 VAL CA C 54 60.900 60.900 60.433 0.467 19872 6140 1 12 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.259 0.041 19872 6141 1 12 . 1 1 55 55 VAL N N 55 127.100 127.100 128.294 -1.194 19872 6142 1 12 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.776 0.174 19872 6143 1 12 . 1 1 55 55 VAL C C 55 174.400 174.400 174.852 -0.452 19872 6144 1 12 . 1 1 55 55 VAL CA C 55 60.600 60.600 60.997 -0.397 19872 6145 1 12 . 1 1 55 55 VAL CB C 55 35.200 35.200 33.182 2.018 19872 6146 1 12 . 1 1 56 56 VAL N N 56 119.700 119.700 127.551 -7.851 19872 6147 1 12 . 1 1 56 56 VAL HA H 56 5.440 5.440 4.927 0.513 19872 6148 1 12 . 1 1 56 56 VAL C C 56 173.400 173.400 174.721 -1.321 19872 6149 1 12 . 1 1 56 56 VAL CA C 56 58.000 58.000 61.140 -3.140 19872 6150 1 12 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.623 0.177 19872 6151 1 12 . 1 1 57 57 PHE N N 57 122.400 122.400 123.619 -1.219 19872 6152 1 12 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.158 0.052 19872 6153 1 12 . 1 1 57 57 PHE C C 57 174.800 174.800 173.978 0.822 19872 6154 1 12 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.486 -1.086 19872 6155 1 12 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.555 -0.855 19872 6156 1 12 . 1 1 58 58 LEU N N 58 120.500 120.500 120.434 0.066 19872 6157 1 12 . 1 1 58 58 LEU HA H 58 4.700 4.700 5.024 -0.324 19872 6158 1 12 . 1 1 58 58 LEU C C 58 175.500 175.500 175.806 -0.306 19872 6159 1 12 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.641 -0.641 19872 6160 1 12 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.217 -0.117 19872 6161 1 12 . 1 1 59 59 LYS N N 59 117.800 117.800 120.059 -2.259 19872 6162 1 12 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.460 -0.110 19872 6163 1 12 . 1 1 59 59 LYS C C 59 175.200 175.200 175.997 -0.797 19872 6164 1 12 . 1 1 59 59 LYS CA C 59 56.100 56.100 55.976 0.124 19872 6165 1 12 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.200 1.100 19872 6166 1 12 . 1 1 60 60 GLY N N 60 114.800 114.800 109.729 5.071 19872 6167 1 12 . 1 1 60 60 GLY C C 60 170.300 170.300 172.457 -2.157 19872 6168 1 12 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.681 -1.781 19872 6169 1 12 . 1 1 61 61 THR N N 61 107.800 107.800 110.198 -2.398 19872 6170 1 12 . 1 1 61 61 THR HA H 61 4.740 4.740 5.019 -0.279 19872 6171 1 12 . 1 1 61 61 THR C C 61 173.100 173.100 173.027 0.073 19872 6172 1 12 . 1 1 61 61 THR CA C 61 57.400 57.400 58.448 -1.048 19872 6173 1 12 . 1 1 61 61 THR CB C 61 68.800 68.800 70.729 -1.929 19872 6174 1 12 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.397 -0.427 19872 6175 1 12 . 1 1 62 62 PRO C C 62 177.200 177.200 177.691 -0.491 19872 6176 1 12 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.844 0.056 19872 6177 1 12 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.029 -0.929 19872 6178 1 12 . 1 1 63 63 GLU N N 63 111.900 111.900 115.063 -3.163 19872 6179 1 12 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.196 -0.256 19872 6180 1 12 . 1 1 63 63 GLU C C 63 176.500 176.500 177.110 -0.610 19872 6181 1 12 . 1 1 63 63 GLU CA C 63 58.100 58.100 57.407 0.693 19872 6182 1 12 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.329 -0.129 19872 6183 1 12 . 1 1 64 64 GLN N N 64 117.700 117.700 119.169 -1.469 19872 6184 1 12 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.801 -0.321 19872 6185 1 12 . 1 1 64 64 GLN C C 64 171.500 171.500 173.513 -2.013 19872 6186 1 12 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.142 0.258 19872 6187 1 12 . 1 1 64 64 GLN CB C 64 29.100 29.100 30.780 -1.680 19872 6188 1 12 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.649 -0.099 19872 6189 1 12 . 1 1 65 65 PRO C C 65 177.900 177.900 177.447 0.453 19872 6190 1 12 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.635 0.365 19872 6191 1 12 . 1 1 65 65 PRO CB C 65 31.700 31.700 31.773 -0.073 19872 6192 1 12 . 1 1 66 66 GLN N N 66 119.700 119.700 123.508 -3.808 19872 6193 1 12 . 1 1 66 66 GLN HA H 66 4.500 4.500 3.938 0.562 19872 6194 1 12 . 1 1 66 66 GLN C C 66 174.400 174.400 176.259 -1.859 19872 6195 1 12 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.919 -3.319 19872 6196 1 12 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.634 0.466 19872 6197 1 12 . 1 1 67 67 CYS N N 67 116.700 116.700 115.367 1.333 19872 6198 1 12 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.548 0.152 19872 6199 1 12 . 1 1 67 67 CYS C C 67 176.500 176.500 174.283 2.217 19872 6200 1 12 . 1 1 67 67 CYS CA C 67 58.700 58.700 57.993 0.707 19872 6201 1 12 . 1 1 67 67 CYS CB C 67 32.800 32.800 29.408 3.392 19872 6202 1 12 . 1 1 68 68 GLY C C 68 176.500 176.500 175.442 1.058 19872 6203 1 12 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.598 0.302 19872 6204 1 12 . 1 1 69 69 PHE N N 69 125.800 125.800 115.180 10.620 19872 6205 1 12 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.015 0.695 19872 6206 1 12 . 1 1 69 69 PHE C C 69 178.300 178.300 176.702 1.598 19872 6207 1 12 . 1 1 69 69 PHE CA C 69 59.900 59.900 59.656 0.244 19872 6208 1 12 . 1 1 69 69 PHE CB C 69 37.900 37.900 37.730 0.170 19872 6209 1 12 . 1 1 70 70 SER N N 70 124.200 124.200 115.495 8.705 19872 6210 1 12 . 1 1 70 70 SER HA H 70 3.980 3.980 4.260 -0.280 19872 6211 1 12 . 1 1 70 70 SER CA C 70 63.800 63.800 61.814 1.986 19872 6212 1 12 . 1 1 70 70 SER CB C 70 62.000 62.000 63.303 -1.303 19872 6213 1 12 . 1 1 71 71 ASN N N 71 118.500 118.500 120.280 -1.780 19872 6214 1 12 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.498 -0.348 19872 6215 1 12 . 1 1 71 71 ASN C C 71 175.800 175.800 176.730 -0.930 19872 6216 1 12 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.335 1.065 19872 6217 1 12 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.118 0.682 19872 6218 1 12 . 1 1 72 72 ALA N N 72 119.900 119.900 122.785 -2.885 19872 6219 1 12 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.027 -0.047 19872 6220 1 12 . 1 1 72 72 ALA C C 72 179.700 179.700 179.415 0.285 19872 6221 1 12 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.858 -0.058 19872 6222 1 12 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.158 -0.458 19872 6223 1 12 . 1 1 73 73 VAL N N 73 115.700 115.700 114.605 1.095 19872 6224 1 12 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.657 -0.317 19872 6225 1 12 . 1 1 73 73 VAL C C 73 176.300 176.300 177.433 -1.133 19872 6226 1 12 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.896 0.304 19872 6227 1 12 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.459 -0.359 19872 6228 1 12 . 1 1 74 74 VAL N N 74 118.100 118.100 120.550 -2.450 19872 6229 1 12 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.640 -0.310 19872 6230 1 12 . 1 1 74 74 VAL C C 74 178.800 178.800 178.187 0.613 19872 6231 1 12 . 1 1 74 74 VAL CA C 74 66.100 66.100 65.705 0.395 19872 6232 1 12 . 1 1 74 74 VAL CB C 74 31.100 31.100 30.854 0.246 19872 6233 1 12 . 1 1 75 75 GLN N N 75 119.000 119.000 119.569 -0.569 19872 6234 1 12 . 1 1 75 75 GLN HA H 75 3.910 3.910 3.991 -0.081 19872 6235 1 12 . 1 1 75 75 GLN C C 75 178.500 178.500 178.858 -0.358 19872 6236 1 12 . 1 1 75 75 GLN CA C 75 57.900 57.900 59.036 -1.136 19872 6237 1 12 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.274 -1.174 19872 6238 1 12 . 1 1 76 76 ILE N N 76 120.600 120.600 120.420 0.180 19872 6239 1 12 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.371 -0.051 19872 6240 1 12 . 1 1 76 76 ILE C C 76 177.600 177.600 178.299 -0.699 19872 6241 1 12 . 1 1 76 76 ILE CA C 76 64.700 64.700 65.306 -0.607 19872 6242 1 12 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.570 -0.670 19872 6243 1 12 . 1 1 77 77 LEU N N 77 117.800 117.800 119.926 -2.126 19872 6244 1 12 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.952 -0.222 19872 6245 1 12 . 1 1 77 77 LEU C C 77 178.400 178.400 179.113 -0.713 19872 6246 1 12 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.562 -0.463 19872 6247 1 12 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.556 -2.156 19872 6248 1 12 . 1 1 78 78 ARG N N 78 118.800 118.800 119.386 -0.586 19872 6249 1 12 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.256 -0.176 19872 6250 1 12 . 1 1 78 78 ARG C C 78 180.800 180.800 179.442 1.358 19872 6251 1 12 . 1 1 78 78 ARG CA C 78 58.900 58.900 59.065 -0.165 19872 6252 1 12 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.776 -0.476 19872 6253 1 12 . 1 1 79 79 LEU N N 79 123.200 123.200 121.962 1.238 19872 6254 1 12 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.065 -0.175 19872 6255 1 12 . 1 1 79 79 LEU C C 79 178.200 178.200 178.620 -0.420 19872 6256 1 12 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.566 -0.067 19872 6257 1 12 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.819 -0.319 19872 6258 1 12 . 1 1 80 80 HIS N N 80 112.200 112.200 115.057 -2.857 19872 6259 1 12 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.613 -0.513 19872 6260 1 12 . 1 1 80 80 HIS C C 80 176.000 176.000 176.529 -0.529 19872 6261 1 12 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.650 0.350 19872 6262 1 12 . 1 1 80 80 HIS CB C 80 31.700 31.700 29.904 1.796 19872 6263 1 12 . 1 1 81 81 GLY N N 81 111.700 111.700 107.862 3.838 19872 6264 1 12 . 1 1 81 81 GLY C C 81 174.000 174.000 174.026 -0.026 19872 6265 1 12 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.662 -0.062 19872 6266 1 12 . 1 1 82 82 VAL N N 82 120.400 120.400 121.887 -1.487 19872 6267 1 12 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.308 -0.498 19872 6268 1 12 . 1 1 82 82 VAL C C 82 174.800 174.800 175.298 -0.498 19872 6269 1 12 . 1 1 82 82 VAL CA C 82 62.200 62.200 62.192 0.008 19872 6270 1 12 . 1 1 82 82 VAL CB C 82 29.700 29.700 32.388 -2.688 19872 6271 1 12 . 1 1 83 83 ARG N N 83 126.600 126.600 125.041 1.559 19872 6272 1 12 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.286 0.074 19872 6273 1 12 . 1 1 83 83 ARG C C 83 176.000 176.000 176.140 -0.140 19872 6274 1 12 . 1 1 83 83 ARG CA C 83 55.600 55.600 56.132 -0.532 19872 6275 1 12 . 1 1 83 83 ARG CB C 83 31.100 31.100 31.140 -0.040 19872 6276 1 12 . 1 1 84 84 ASP N N 84 118.400 118.400 120.631 -2.231 19872 6277 1 12 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.440 0.110 19872 6278 1 12 . 1 1 84 84 ASP C C 84 174.200 174.200 175.074 -0.874 19872 6279 1 12 . 1 1 84 84 ASP CA C 84 53.000 53.000 54.769 -1.769 19872 6280 1 12 . 1 1 84 84 ASP CB C 84 40.000 40.000 39.765 0.235 19872 6281 1 12 . 1 1 85 85 TYR N N 85 116.200 116.200 115.306 0.894 19872 6282 1 12 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.901 -0.151 19872 6283 1 12 . 1 1 85 85 TYR C C 85 173.100 173.100 175.817 -2.717 19872 6284 1 12 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.150 -1.149 19872 6285 1 12 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.803 0.397 19872 6286 1 12 . 1 1 86 86 ALA N N 86 125.000 125.000 123.532 1.468 19872 6287 1 12 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.634 -0.414 19872 6288 1 12 . 1 1 86 86 ALA C C 86 174.300 174.300 175.830 -1.530 19872 6289 1 12 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.681 0.119 19872 6290 1 12 . 1 1 86 86 ALA CB C 86 20.400 20.400 20.075 0.325 19872 6291 1 12 . 1 1 87 87 ALA N N 87 124.400 124.400 129.921 -5.521 19872 6292 1 12 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.545 0.625 19872 6293 1 12 . 1 1 87 87 ALA C C 87 175.400 175.400 176.034 -0.634 19872 6294 1 12 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.832 -1.932 19872 6295 1 12 . 1 1 87 87 ALA CB C 87 21.400 21.400 19.009 2.391 19872 6296 1 12 . 1 1 88 88 TYR N N 88 121.100 121.100 124.086 -2.986 19872 6297 1 12 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.209 0.281 19872 6298 1 12 . 1 1 88 88 TYR C C 88 174.100 174.100 175.018 -0.918 19872 6299 1 12 . 1 1 88 88 TYR CA C 88 56.900 56.900 58.179 -1.279 19872 6300 1 12 . 1 1 88 88 TYR CB C 88 40.200 40.200 38.727 1.474 19872 6301 1 12 . 1 1 89 89 ASN N N 89 122.300 122.300 124.510 -2.210 19872 6302 1 12 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.142 0.048 19872 6303 1 12 . 1 1 89 89 ASN C C 89 178.000 178.000 176.240 1.760 19872 6304 1 12 . 1 1 89 89 ASN CA C 89 50.800 50.800 53.199 -2.399 19872 6305 1 12 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.863 -0.863 19872 6306 1 12 . 1 1 90 90 VAL N N 90 117.900 117.900 121.561 -3.661 19872 6307 1 12 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.178 0.002 19872 6308 1 12 . 1 1 90 90 VAL C C 90 176.700 176.700 175.813 0.887 19872 6309 1 12 . 1 1 90 90 VAL CA C 90 62.200 62.200 63.416 -1.216 19872 6310 1 12 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.363 -0.863 19872 6311 1 12 . 1 1 91 91 LEU N N 91 118.900 118.900 120.086 -1.186 19872 6312 1 12 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.153 -0.093 19872 6313 1 12 . 1 1 91 91 LEU C C 91 177.500 177.500 178.300 -0.800 19872 6314 1 12 . 1 1 91 91 LEU CA C 91 56.000 56.000 56.790 -0.790 19872 6315 1 12 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.532 -1.132 19872 6316 1 12 . 1 1 92 92 ASP N N 92 115.500 115.500 118.831 -3.331 19872 6317 1 12 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.532 0.138 19872 6318 1 12 . 1 1 92 92 ASP C C 92 175.500 175.500 176.266 -0.766 19872 6319 1 12 . 1 1 92 92 ASP CA C 92 54.100 54.100 56.180 -2.080 19872 6320 1 12 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.574 -0.574 19872 6321 1 12 . 1 1 93 93 ASP N N 93 115.000 115.000 118.407 -3.407 19872 6322 1 12 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.100 -0.070 19872 6323 1 12 . 1 1 93 93 ASP C C 93 172.800 172.800 175.179 -2.379 19872 6324 1 12 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.732 -1.232 19872 6325 1 12 . 1 1 93 93 ASP CB C 93 41.900 41.900 42.998 -1.098 19872 6326 1 12 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.446 -0.176 19872 6327 1 12 . 1 1 94 94 PRO C C 94 179.300 179.300 178.303 0.997 19872 6328 1 12 . 1 1 94 94 PRO CA C 94 64.100 64.100 64.651 -0.551 19872 6329 1 12 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.438 -0.638 19872 6330 1 12 . 1 1 95 95 GLU N N 95 118.600 118.600 118.525 0.075 19872 6331 1 12 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.151 -0.111 19872 6332 1 12 . 1 1 95 95 GLU C C 95 179.500 179.500 178.657 0.843 19872 6333 1 12 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.294 -0.694 19872 6334 1 12 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.877 -0.277 19872 6335 1 12 . 1 1 96 96 LEU N N 96 123.800 123.800 120.675 3.125 19872 6336 1 12 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.046 -0.156 19872 6337 1 12 . 1 1 96 96 LEU C C 96 177.200 177.200 178.714 -1.514 19872 6338 1 12 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.566 -0.467 19872 6339 1 12 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.830 -0.530 19872 6340 1 12 . 1 1 97 97 ARG N N 97 117.900 117.900 119.365 -1.465 19872 6341 1 12 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.891 -0.351 19872 6342 1 12 . 1 1 97 97 ARG C C 97 176.400 176.400 178.373 -1.973 19872 6343 1 12 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.109 -0.209 19872 6344 1 12 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.013 0.387 19872 6345 1 12 . 1 1 98 98 GLN N N 98 114.400 114.400 118.083 -3.683 19872 6346 1 12 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.125 -0.305 19872 6347 1 12 . 1 1 98 98 GLN C C 98 177.500 177.500 178.456 -0.956 19872 6348 1 12 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.699 -1.799 19872 6349 1 12 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.585 -0.585 19872 6350 1 12 . 1 1 99 99 GLY N N 99 107.700 107.700 108.581 -0.881 19872 6351 1 12 . 1 1 99 99 GLY C C 99 176.700 176.700 176.110 0.590 19872 6352 1 12 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.326 -0.826 19872 6353 1 12 . 1 1 100 100 ILE N N 100 120.900 120.900 122.316 -1.416 19872 6354 1 12 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.902 0.078 19872 6355 1 12 . 1 1 100 100 ILE C C 100 176.800 176.800 177.363 -0.563 19872 6356 1 12 . 1 1 100 100 ILE CA C 100 60.500 60.500 60.728 -0.228 19872 6357 1 12 . 1 1 100 100 ILE CB C 100 37.500 37.500 37.798 -0.298 19872 6358 1 12 . 1 1 101 101 LYS N N 101 124.600 124.600 121.101 3.499 19872 6359 1 12 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.278 -0.198 19872 6360 1 12 . 1 1 101 101 LYS C C 101 178.900 178.900 179.040 -0.140 19872 6361 1 12 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.877 -1.177 19872 6362 1 12 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.210 -0.410 19872 6363 1 12 . 1 1 102 102 ASP N N 102 118.700 118.700 118.890 -0.190 19872 6364 1 12 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.446 -0.196 19872 6365 1 12 . 1 1 102 102 ASP C C 102 177.700 177.700 178.950 -1.250 19872 6366 1 12 . 1 1 102 102 ASP CA C 102 56.200 56.200 57.178 -0.978 19872 6367 1 12 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.049 -1.349 19872 6368 1 12 . 1 1 103 103 TYR N N 103 120.300 120.300 120.126 0.174 19872 6369 1 12 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.175 -0.115 19872 6370 1 12 . 1 1 103 103 TYR C C 103 176.600 176.600 177.418 -0.818 19872 6371 1 12 . 1 1 103 103 TYR CA C 103 60.500 60.500 61.341 -0.841 19872 6372 1 12 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.809 1.091 19872 6373 1 12 . 1 1 104 104 SER N N 104 110.900 110.900 113.118 -2.218 19872 6374 1 12 . 1 1 104 104 SER HA H 104 3.900 3.900 4.389 -0.489 19872 6375 1 12 . 1 1 104 104 SER C C 104 174.600 174.600 174.456 0.144 19872 6376 1 12 . 1 1 104 104 SER CA C 104 57.700 57.700 58.091 -0.391 19872 6377 1 12 . 1 1 104 104 SER CB C 104 63.900 63.900 63.604 0.296 19872 6378 1 12 . 1 1 105 105 ASN N N 105 117.900 117.900 117.394 0.506 19872 6379 1 12 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.455 -0.255 19872 6380 1 12 . 1 1 105 105 ASN C C 105 173.200 173.200 173.891 -0.691 19872 6381 1 12 . 1 1 105 105 ASN CA C 105 53.800 53.800 54.812 -1.012 19872 6382 1 12 . 1 1 105 105 ASN CB C 105 37.200 37.200 37.897 -0.697 19872 6383 1 12 . 1 1 106 106 TRP N N 106 120.600 120.600 118.333 2.267 19872 6384 1 12 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.072 0.008 19872 6385 1 12 . 1 1 106 106 TRP C C 106 175.400 175.400 174.710 0.690 19872 6386 1 12 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.171 -1.671 19872 6387 1 12 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.630 -0.630 19872 6388 1 12 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.394 -0.224 19872 6389 1 12 . 1 1 107 107 PRO C C 107 175.900 175.900 176.408 -0.508 19872 6390 1 12 . 1 1 107 107 PRO CA C 107 63.700 63.700 65.125 -1.425 19872 6391 1 12 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.086 -0.486 19872 6392 1 12 . 1 1 108 108 THR N N 108 110.500 110.500 112.243 -1.743 19872 6393 1 12 . 1 1 108 108 THR HA H 108 4.300 4.300 4.553 -0.253 19872 6394 1 12 . 1 1 108 108 THR C C 108 171.400 171.400 172.870 -1.470 19872 6395 1 12 . 1 1 108 108 THR CA C 108 60.400 60.400 62.405 -2.005 19872 6396 1 12 . 1 1 108 108 THR CB C 108 70.400 70.400 69.419 0.981 19872 6397 1 12 . 1 1 109 109 ILE N N 109 123.100 123.100 122.780 0.320 19872 6398 1 12 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.780 -0.520 19872 6399 1 12 . 1 1 109 109 ILE C C 109 175.000 175.000 173.839 1.161 19872 6400 1 12 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.432 -1.532 19872 6401 1 12 . 1 1 109 109 ILE CB C 109 40.100 40.100 40.643 -0.543 19872 6402 1 12 . 1 1 110 110 PRO HA H 110 5.340 5.340 5.124 0.216 19872 6403 1 12 . 1 1 110 110 PRO C C 110 175.600 175.600 175.683 -0.083 19872 6404 1 12 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.546 -1.046 19872 6405 1 12 . 1 1 110 110 PRO CB C 110 37.500 37.500 33.579 3.921 19872 6406 1 12 . 1 1 111 111 GLN N N 111 114.700 114.700 117.822 -3.122 19872 6407 1 12 . 1 1 111 111 GLN HA H 111 4.930 4.930 4.849 0.081 19872 6408 1 12 . 1 1 111 111 GLN C C 111 174.100 174.100 173.324 0.776 19872 6409 1 12 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.838 0.562 19872 6410 1 12 . 1 1 111 111 GLN CB C 111 33.900 33.900 32.685 1.215 19872 6411 1 12 . 1 1 112 112 VAL N N 112 121.000 121.000 118.138 2.862 19872 6412 1 12 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.276 -0.496 19872 6413 1 12 . 1 1 112 112 VAL C C 112 172.300 172.300 173.657 -1.357 19872 6414 1 12 . 1 1 112 112 VAL CA C 112 61.200 61.200 59.965 1.235 19872 6415 1 12 . 1 1 112 112 VAL CB C 112 33.500 33.500 36.231 -2.731 19872 6416 1 12 . 1 1 113 113 TYR N N 113 128.400 128.400 122.979 5.421 19872 6417 1 12 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.130 -0.160 19872 6418 1 12 . 1 1 113 113 TYR C C 113 173.800 173.800 174.398 -0.598 19872 6419 1 12 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.705 -0.005 19872 6420 1 12 . 1 1 113 113 TYR CB C 113 41.000 41.000 41.603 -0.603 19872 6421 1 12 . 1 1 114 114 LEU N N 114 117.900 117.900 122.834 -4.934 19872 6422 1 12 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.159 0.171 19872 6423 1 12 . 1 1 114 114 LEU C C 114 178.300 178.300 177.546 0.754 19872 6424 1 12 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.775 -1.675 19872 6425 1 12 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.498 -0.198 19872 6426 1 12 . 1 1 115 115 ASN N N 115 125.000 125.000 123.730 1.270 19872 6427 1 12 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.430 0.070 19872 6428 1 12 . 1 1 115 115 ASN C C 115 175.500 175.500 175.577 -0.077 19872 6429 1 12 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.252 -1.552 19872 6430 1 12 . 1 1 115 115 ASN CB C 115 38.700 38.700 37.915 0.785 19872 6431 1 12 . 1 1 116 116 GLY N N 116 105.000 105.000 102.924 2.076 19872 6432 1 12 . 1 1 116 116 GLY C C 116 172.900 172.900 173.698 -0.798 19872 6433 1 12 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.682 -0.582 19872 6434 1 12 . 1 1 117 117 GLU N N 117 118.900 118.900 120.075 -1.175 19872 6435 1 12 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.890 -0.140 19872 6436 1 12 . 1 1 117 117 GLU C C 117 174.700 174.700 175.054 -0.354 19872 6437 1 12 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.271 -0.271 19872 6438 1 12 . 1 1 117 117 GLU CB C 117 31.600 31.600 32.761 -1.161 19872 6439 1 12 . 1 1 118 118 PHE N N 118 124.400 124.400 124.854 -0.454 19872 6440 1 12 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.169 -0.979 19872 6441 1 12 . 1 1 118 118 PHE C C 118 175.500 175.500 175.457 0.043 19872 6442 1 12 . 1 1 118 118 PHE CA C 118 57.500 57.500 58.549 -1.049 19872 6443 1 12 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.875 -1.775 19872 6444 1 12 . 1 1 119 119 VAL N N 119 126.900 126.900 119.520 7.380 19872 6445 1 12 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.231 -0.521 19872 6446 1 12 . 1 1 119 119 VAL C C 119 174.200 174.200 175.143 -0.943 19872 6447 1 12 . 1 1 119 119 VAL CA C 119 61.900 61.900 61.363 0.537 19872 6448 1 12 . 1 1 119 119 VAL CB C 119 32.400 32.400 33.429 -1.029 19872 6449 1 12 . 1 1 120 120 GLY N N 120 101.400 101.400 106.892 -5.492 19872 6450 1 12 . 1 1 120 120 GLY CA C 120 44.100 44.100 43.865 0.235 19872 6451 1 12 . 1 1 121 121 GLY N N 121 106.300 106.300 105.921 0.379 19872 6452 1 12 . 1 1 121 121 GLY C C 121 173.100 173.100 175.128 -2.028 19872 6453 1 12 . 1 1 121 121 GLY CA C 121 43.200 43.200 44.070 -0.870 19872 6454 1 12 . 1 1 122 122 CYS N N 122 119.400 119.400 119.542 -0.142 19872 6455 1 12 . 1 1 122 122 CYS HA H 122 3.660 3.660 3.984 -0.324 19872 6456 1 12 . 1 1 122 122 CYS C C 122 174.800 174.800 176.167 -1.367 19872 6457 1 12 . 1 1 122 122 CYS CA C 122 61.800 61.800 61.749 0.050 19872 6458 1 12 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.390 0.210 19872 6459 1 12 . 1 1 123 123 ASP N N 123 117.700 117.700 119.186 -1.486 19872 6460 1 12 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.346 -0.106 19872 6461 1 12 . 1 1 123 123 ASP C C 123 179.100 179.100 178.027 1.073 19872 6462 1 12 . 1 1 123 123 ASP CA C 123 57.700 57.700 57.022 0.679 19872 6463 1 12 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.810 -1.610 19872 6464 1 12 . 1 1 124 124 ILE N N 124 120.700 120.700 119.880 0.820 19872 6465 1 12 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.770 -0.050 19872 6466 1 12 . 1 1 124 124 ILE C C 124 177.200 177.200 177.893 -0.693 19872 6467 1 12 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.859 0.241 19872 6468 1 12 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.318 -0.318 19872 6469 1 12 . 1 1 125 125 LEU N N 125 122.000 122.000 121.762 0.238 19872 6470 1 12 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.927 -0.097 19872 6471 1 12 . 1 1 125 125 LEU C C 125 178.800 178.800 178.867 -0.067 19872 6472 1 12 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.531 -1.131 19872 6473 1 12 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.672 -0.872 19872 6474 1 12 . 1 1 126 126 LEU N N 126 118.200 118.200 115.677 2.523 19872 6475 1 12 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.093 -0.133 19872 6476 1 12 . 1 1 126 126 LEU C C 126 179.100 179.100 178.281 0.819 19872 6477 1 12 . 1 1 126 126 LEU CA C 126 57.800 57.800 56.847 0.953 19872 6478 1 12 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.731 0.069 19872 6479 1 12 . 1 1 127 127 GLN N N 127 119.900 119.900 117.741 2.159 19872 6480 1 12 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.223 -0.253 19872 6481 1 12 . 1 1 127 127 GLN C C 127 178.200 178.200 178.056 0.144 19872 6482 1 12 . 1 1 127 127 GLN CA C 127 59.000 59.000 57.898 1.102 19872 6483 1 12 . 1 1 127 127 GLN CB C 127 27.900 27.900 29.006 -1.106 19872 6484 1 12 . 1 1 128 128 MET N N 128 117.500 117.500 118.542 -1.042 19872 6485 1 12 . 1 1 128 128 MET HA H 128 4.360 4.360 4.141 0.219 19872 6486 1 12 . 1 1 128 128 MET C C 128 179.600 179.600 178.778 0.822 19872 6487 1 12 . 1 1 128 128 MET CA C 128 57.800 57.800 58.952 -1.152 19872 6488 1 12 . 1 1 128 128 MET CB C 128 33.500 33.500 32.563 0.937 19872 6489 1 12 . 1 1 129 129 HIS N N 129 122.300 122.300 119.817 2.483 19872 6490 1 12 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.345 0.005 19872 6491 1 12 . 1 1 129 129 HIS C C 129 177.000 177.000 177.548 -0.548 19872 6492 1 12 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.055 -0.855 19872 6493 1 12 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.771 1.329 19872 6494 1 12 . 1 1 130 130 GLN N N 130 116.700 116.700 117.101 -0.401 19872 6495 1 12 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.050 -0.290 19872 6496 1 12 . 1 1 130 130 GLN C C 130 177.600 177.600 177.519 0.081 19872 6497 1 12 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.174 0.626 19872 6498 1 12 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.081 -0.781 19872 6499 1 12 . 1 1 131 131 ASN N N 131 114.200 114.200 118.039 -3.839 19872 6500 1 12 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.623 -0.003 19872 6501 1 12 . 1 1 131 131 ASN C C 131 176.600 176.600 176.126 0.474 19872 6502 1 12 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.568 -1.268 19872 6503 1 12 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.447 -1.447 19872 6504 1 12 . 1 1 132 132 GLY N N 132 106.600 106.600 106.525 0.075 19872 6505 1 12 . 1 1 132 132 GLY C C 132 175.300 175.300 174.778 0.522 19872 6506 1 12 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.041 0.160 19872 6507 1 12 . 1 1 133 133 ASP N N 133 122.900 122.900 121.164 1.736 19872 6508 1 12 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.621 -0.251 19872 6509 1 12 . 1 1 133 133 ASP C C 133 178.700 178.700 177.676 1.024 19872 6510 1 12 . 1 1 133 133 ASP CA C 133 56.700 56.700 55.667 1.033 19872 6511 1 12 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.903 -0.903 19872 6512 1 12 . 1 1 134 134 LEU N N 134 118.900 118.900 119.210 -0.310 19872 6513 1 12 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.063 -0.283 19872 6514 1 12 . 1 1 134 134 LEU C C 134 177.300 177.300 178.148 -0.848 19872 6515 1 12 . 1 1 134 134 LEU CA C 134 57.300 57.300 57.214 0.086 19872 6516 1 12 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.598 -1.598 19872 6517 1 12 . 1 1 135 135 VAL N N 135 116.600 116.600 118.640 -2.040 19872 6518 1 12 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.639 -0.239 19872 6519 1 12 . 1 1 135 135 VAL C C 135 178.300 178.300 177.661 0.639 19872 6520 1 12 . 1 1 135 135 VAL CA C 135 66.800 66.800 67.108 -0.308 19872 6521 1 12 . 1 1 135 135 VAL CB C 135 31.200 31.200 31.541 -0.341 19872 6522 1 12 . 1 1 136 136 GLU N N 136 118.600 118.600 118.202 0.398 19872 6523 1 12 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.085 -0.065 19872 6524 1 12 . 1 1 136 136 GLU C C 136 178.800 178.800 179.176 -0.376 19872 6525 1 12 . 1 1 136 136 GLU CA C 136 58.000 58.000 58.980 -0.980 19872 6526 1 12 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.787 -0.287 19872 6527 1 12 . 1 1 137 137 GLU N N 137 119.500 119.500 120.166 -0.666 19872 6528 1 12 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.163 -0.273 19872 6529 1 12 . 1 1 137 137 GLU C C 137 179.500 179.500 179.034 0.466 19872 6530 1 12 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.468 -0.468 19872 6531 1 12 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.568 -0.968 19872 6532 1 12 . 1 1 138 138 LEU N N 138 117.400 117.400 120.476 -3.076 19872 6533 1 12 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.914 -0.024 19872 6534 1 12 . 1 1 138 138 LEU C C 138 179.200 179.200 178.969 0.231 19872 6535 1 12 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.569 -0.069 19872 6536 1 12 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.610 -2.310 19872 6537 1 12 . 1 1 139 139 LYS N N 139 121.100 121.100 119.099 2.001 19872 6538 1 12 . 1 1 139 139 LYS HA H 139 3.850 3.850 3.955 -0.105 19872 6539 1 12 . 1 1 139 139 LYS C C 139 180.900 180.900 179.462 1.438 19872 6540 1 12 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.363 0.237 19872 6541 1 12 . 1 1 139 139 LYS CB C 139 31.800 31.800 31.667 0.133 19872 6542 1 12 . 1 1 140 140 LYS N N 140 119.800 119.800 119.014 0.786 19872 6543 1 12 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.093 -0.153 19872 6544 1 12 . 1 1 140 140 LYS C C 140 177.600 177.600 177.883 -0.283 19872 6545 1 12 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.624 0.076 19872 6546 1 12 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.281 -0.381 19872 6547 1 12 . 1 1 141 141 LEU N N 141 116.600 116.600 116.950 -0.350 19872 6548 1 12 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.413 -0.093 19872 6549 1 12 . 1 1 141 141 LEU C C 141 176.400 176.400 178.038 -1.638 19872 6550 1 12 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.486 -0.886 19872 6551 1 12 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.814 0.186 19872 6552 1 12 . 1 1 142 142 GLY N N 142 107.200 107.200 108.015 -0.815 19872 6553 1 12 . 1 1 142 142 GLY C C 142 173.900 173.900 174.757 -0.857 19872 6554 1 12 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.590 -0.590 19872 6555 1 12 . 1 1 143 143 ILE N N 143 121.600 121.600 121.264 0.336 19872 6556 1 12 . 1 1 143 143 ILE HA H 143 4.020 4.020 3.979 0.041 19872 6557 1 12 . 1 1 143 143 ILE C C 143 173.900 173.900 175.896 -1.996 19872 6558 1 12 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.607 -1.607 19872 6559 1 12 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.566 0.133 19872 6560 1 12 . 1 1 144 144 HIS N N 144 128.000 128.000 127.288 0.712 19872 6561 1 12 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.536 -0.196 19872 6562 1 12 . 1 1 144 144 HIS C C 144 173.800 173.800 174.698 -0.898 19872 6563 1 12 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.638 -1.338 19872 6564 1 12 . 1 1 144 144 HIS CB C 144 28.600 28.600 29.935 -1.335 19872 6565 1 12 . 1 1 145 145 SER N N 145 121.400 121.400 123.640 -2.240 19872 6566 1 12 . 1 1 145 145 SER HA H 145 4.470 4.470 4.592 -0.122 19872 6567 1 12 . 1 1 145 145 SER CA C 145 57.800 57.800 58.455 -0.655 19872 6568 1 12 . 1 1 145 145 SER CB C 145 62.200 62.200 63.948 -1.748 19872 6569 1 12 . 1 1 146 146 ALA N N 146 130.100 130.100 131.048 -0.948 19872 6570 1 12 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.311 -0.131 19872 6571 1 12 . 1 1 146 146 ALA C C 146 178.100 178.100 179.088 -0.988 19872 6572 1 12 . 1 1 146 146 ALA CA C 146 52.900 52.900 54.700 -1.800 19872 6573 1 12 . 1 1 146 146 ALA CB C 146 17.700 17.700 18.912 -1.212 19872 6574 1 12 . 1 1 147 147 LEU N N 147 117.800 117.800 117.422 0.378 19872 6575 1 12 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.124 -0.064 19872 6576 1 12 . 1 1 147 147 LEU C C 147 177.700 177.700 178.823 -1.123 19872 6577 1 12 . 1 1 147 147 LEU CA C 147 55.100 55.100 55.442 -0.342 19872 6578 1 12 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.032 -0.632 19872 6579 1 12 . 1 1 148 148 LEU N N 148 120.100 120.100 121.631 -1.531 19872 6580 1 12 . 1 1 148 148 LEU HA H 148 4.180 4.180 3.909 0.271 19872 6581 1 12 . 1 1 148 148 LEU C C 148 176.500 176.500 177.906 -1.406 19872 6582 1 12 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.921 -3.221 19872 6583 1 12 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.957 0.043 19872 6584 1 12 . 1 1 149 149 ASP N N 149 121.900 121.900 116.675 5.225 19872 6585 1 12 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.799 -0.199 19872 6586 1 12 . 1 1 149 149 ASP C C 149 174.800 174.800 175.784 -0.984 19872 6587 1 12 . 1 1 149 149 ASP CA C 149 53.900 53.900 54.034 -0.134 19872 6588 1 12 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.475 -0.875 19872 6589 1 13 . 1 1 2 2 SER HA H 2 4.360 4.360 4.237 0.123 19872 6590 1 13 . 1 1 2 2 SER C C 2 173.800 173.800 174.330 -0.530 19872 6591 1 13 . 1 1 2 2 SER CA C 2 58.000 58.000 58.633 -0.633 19872 6592 1 13 . 1 1 2 2 SER CB C 2 63.100 63.100 62.789 0.311 19872 6593 1 13 . 1 1 3 3 PHE N N 3 122.000 122.000 121.076 0.924 19872 6594 1 13 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.495 0.115 19872 6595 1 13 . 1 1 3 3 PHE C C 3 175.300 175.300 176.461 -1.161 19872 6596 1 13 . 1 1 3 3 PHE CA C 3 57.300 57.300 56.863 0.437 19872 6597 1 13 . 1 1 3 3 PHE CB C 3 39.300 39.300 39.652 -0.352 19872 6598 1 13 . 1 1 4 4 THR N N 4 116.900 116.900 114.060 2.840 19872 6599 1 13 . 1 1 4 4 THR HA H 4 4.180 4.180 4.545 -0.365 19872 6600 1 13 . 1 1 4 4 THR C C 4 173.800 173.800 174.451 -0.651 19872 6601 1 13 . 1 1 4 4 THR CA C 4 61.000 61.000 61.356 -0.356 19872 6602 1 13 . 1 1 4 4 THR CB C 4 69.300 69.300 70.007 -0.707 19872 6603 1 13 . 1 1 36 36 ALA N N 36 123.600 123.600 122.665 0.935 19872 6604 1 13 . 1 1 36 36 ALA HA H 36 4.230 4.230 5.171 -0.941 19872 6605 1 13 . 1 1 36 36 ALA C C 36 178.100 178.100 175.746 2.354 19872 6606 1 13 . 1 1 36 36 ALA CA C 36 52.000 52.000 51.429 0.571 19872 6607 1 13 . 1 1 36 36 ALA CB C 36 18.700 18.700 21.469 -2.769 19872 6608 1 13 . 1 1 37 37 GLY N N 37 108.200 108.200 106.963 1.237 19872 6609 1 13 . 1 1 37 37 GLY C C 37 174.500 174.500 173.150 1.350 19872 6610 1 13 . 1 1 37 37 GLY CA C 37 44.800 44.800 45.772 -0.972 19872 6611 1 13 . 1 1 38 38 GLY N N 38 108.200 108.200 106.907 1.293 19872 6612 1 13 . 1 1 38 38 GLY C C 38 174.500 174.500 174.810 -0.310 19872 6613 1 13 . 1 1 38 38 GLY CA C 38 44.700 44.700 44.184 0.517 19872 6614 1 13 . 1 1 39 39 GLY N N 39 108.600 108.600 109.182 -0.582 19872 6615 1 13 . 1 1 39 39 GLY C C 39 174.100 174.100 175.499 -1.399 19872 6616 1 13 . 1 1 39 39 GLY CA C 39 44.800 44.800 45.388 -0.588 19872 6617 1 13 . 1 1 40 40 GLY N N 40 107.700 107.700 113.363 -5.663 19872 6618 1 13 . 1 1 40 40 GLY C C 40 174.100 174.100 175.054 -0.954 19872 6619 1 13 . 1 1 40 40 GLY CA C 40 44.700 44.700 45.416 -0.716 19872 6620 1 13 . 1 1 41 41 SER N N 41 115.700 115.700 116.821 -1.121 19872 6621 1 13 . 1 1 41 41 SER HA H 41 4.220 4.220 4.518 -0.298 19872 6622 1 13 . 1 1 41 41 SER C C 41 174.800 174.800 175.140 -0.340 19872 6623 1 13 . 1 1 41 41 SER CA C 41 58.400 58.400 58.701 -0.301 19872 6624 1 13 . 1 1 41 41 SER CB C 41 63.100 63.100 64.508 -1.408 19872 6625 1 13 . 1 1 42 42 ALA N N 42 124.700 124.700 128.168 -3.468 19872 6626 1 13 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.092 -0.142 19872 6627 1 13 . 1 1 42 42 ALA C C 42 178.800 178.800 179.075 -0.275 19872 6628 1 13 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.291 -0.591 19872 6629 1 13 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.684 -0.984 19872 6630 1 13 . 1 1 43 43 GLU N N 43 116.700 116.700 117.403 -0.703 19872 6631 1 13 . 1 1 43 43 GLU HA H 43 3.950 3.950 3.981 -0.031 19872 6632 1 13 . 1 1 43 43 GLU C C 43 178.800 178.800 177.946 0.854 19872 6633 1 13 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.712 -0.212 19872 6634 1 13 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.209 0.391 19872 6635 1 13 . 1 1 44 44 GLN N N 44 119.400 119.400 120.690 -1.290 19872 6636 1 13 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.202 -0.232 19872 6637 1 13 . 1 1 44 44 GLN C C 44 178.200 178.200 178.142 0.058 19872 6638 1 13 . 1 1 44 44 GLN CA C 44 57.600 57.600 57.968 -0.368 19872 6639 1 13 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.613 -0.513 19872 6640 1 13 . 1 1 45 45 LEU N N 45 121.700 121.700 120.834 0.866 19872 6641 1 13 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.644 -0.074 19872 6642 1 13 . 1 1 45 45 LEU C C 45 177.300 177.300 178.856 -1.556 19872 6643 1 13 . 1 1 45 45 LEU CA C 45 56.500 56.500 58.075 -1.575 19872 6644 1 13 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.496 -0.996 19872 6645 1 13 . 1 1 46 46 ASP N N 46 118.000 118.000 119.288 -1.288 19872 6646 1 13 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.356 -0.326 19872 6647 1 13 . 1 1 46 46 ASP C C 46 176.800 176.800 178.141 -1.341 19872 6648 1 13 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.726 -1.126 19872 6649 1 13 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.813 0.787 19872 6650 1 13 . 1 1 47 47 ALA N N 47 116.100 116.100 121.565 -5.465 19872 6651 1 13 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.157 -0.267 19872 6652 1 13 . 1 1 47 47 ALA C C 47 180.300 180.300 179.561 0.739 19872 6653 1 13 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.627 -0.627 19872 6654 1 13 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.410 -1.010 19872 6655 1 13 . 1 1 48 48 LEU N N 48 117.800 117.800 119.220 -1.420 19872 6656 1 13 . 1 1 48 48 LEU HA H 48 3.840 3.840 4.076 -0.236 19872 6657 1 13 . 1 1 48 48 LEU C C 48 180.100 180.100 179.272 0.828 19872 6658 1 13 . 1 1 48 48 LEU CA C 48 57.400 57.400 58.053 -0.653 19872 6659 1 13 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.499 -0.599 19872 6660 1 13 . 1 1 49 49 VAL N N 49 112.100 112.100 113.900 -1.800 19872 6661 1 13 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.934 -0.054 19872 6662 1 13 . 1 1 49 49 VAL C C 49 176.000 176.000 177.454 -1.454 19872 6663 1 13 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.702 -1.502 19872 6664 1 13 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.402 -0.402 19872 6665 1 13 . 1 1 50 50 LYS N N 50 115.400 115.400 119.647 -4.247 19872 6666 1 13 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.396 -0.236 19872 6667 1 13 . 1 1 50 50 LYS C C 50 177.900 177.900 178.047 -0.147 19872 6668 1 13 . 1 1 50 50 LYS CA C 50 56.200 56.200 55.576 0.624 19872 6669 1 13 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.167 1.233 19872 6670 1 13 . 1 1 51 51 LYS N N 51 119.000 119.000 119.022 -0.022 19872 6671 1 13 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.164 -0.244 19872 6672 1 13 . 1 1 51 51 LYS C C 51 174.700 174.700 176.343 -1.643 19872 6673 1 13 . 1 1 51 51 LYS CA C 51 58.000 58.000 58.371 -0.371 19872 6674 1 13 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.805 -0.505 19872 6675 1 13 . 1 1 52 52 ASP N N 52 113.400 113.400 116.204 -2.804 19872 6676 1 13 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.849 0.141 19872 6677 1 13 . 1 1 52 52 ASP C C 52 174.400 174.400 174.770 -0.370 19872 6678 1 13 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.791 -0.991 19872 6679 1 13 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.438 2.162 19872 6680 1 13 . 1 1 53 53 LYS N N 53 119.500 119.500 118.981 0.519 19872 6681 1 13 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.338 -0.328 19872 6682 1 13 . 1 1 53 53 LYS C C 53 176.100 176.100 176.545 -0.445 19872 6683 1 13 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.305 2.495 19872 6684 1 13 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.838 -0.238 19872 6685 1 13 . 1 1 54 54 VAL N N 54 117.700 117.700 118.583 -0.883 19872 6686 1 13 . 1 1 54 54 VAL HA H 54 4.620 4.620 5.057 -0.437 19872 6687 1 13 . 1 1 54 54 VAL C C 54 173.700 173.700 174.523 -0.823 19872 6688 1 13 . 1 1 54 54 VAL CA C 54 60.900 60.900 60.182 0.718 19872 6689 1 13 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.144 -1.844 19872 6690 1 13 . 1 1 55 55 VAL N N 55 127.100 127.100 123.412 3.688 19872 6691 1 13 . 1 1 55 55 VAL HA H 55 4.950 4.950 5.136 -0.186 19872 6692 1 13 . 1 1 55 55 VAL C C 55 174.400 174.400 174.426 -0.026 19872 6693 1 13 . 1 1 55 55 VAL CA C 55 60.600 60.600 60.154 0.446 19872 6694 1 13 . 1 1 55 55 VAL CB C 55 35.200 35.200 34.153 1.047 19872 6695 1 13 . 1 1 56 56 VAL N N 56 119.700 119.700 126.281 -6.581 19872 6696 1 13 . 1 1 56 56 VAL HA H 56 5.440 5.440 4.984 0.456 19872 6697 1 13 . 1 1 56 56 VAL C C 56 173.400 173.400 174.370 -0.970 19872 6698 1 13 . 1 1 56 56 VAL CA C 56 58.000 58.000 60.693 -2.693 19872 6699 1 13 . 1 1 56 56 VAL CB C 56 34.800 34.800 35.078 -0.278 19872 6700 1 13 . 1 1 57 57 PHE N N 57 122.400 122.400 125.079 -2.679 19872 6701 1 13 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.246 -0.036 19872 6702 1 13 . 1 1 57 57 PHE C C 57 174.800 174.800 174.041 0.759 19872 6703 1 13 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.087 -0.687 19872 6704 1 13 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.132 -0.432 19872 6705 1 13 . 1 1 58 58 LEU N N 58 120.500 120.500 119.962 0.538 19872 6706 1 13 . 1 1 58 58 LEU HA H 58 4.700 4.700 5.002 -0.302 19872 6707 1 13 . 1 1 58 58 LEU C C 58 175.500 175.500 176.069 -0.569 19872 6708 1 13 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.863 -0.863 19872 6709 1 13 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.641 -0.541 19872 6710 1 13 . 1 1 59 59 LYS N N 59 117.800 117.800 120.171 -2.371 19872 6711 1 13 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.347 0.003 19872 6712 1 13 . 1 1 59 59 LYS C C 59 175.200 175.200 175.808 -0.608 19872 6713 1 13 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.337 -0.237 19872 6714 1 13 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.449 0.851 19872 6715 1 13 . 1 1 60 60 GLY N N 60 114.800 114.800 109.768 5.032 19872 6716 1 13 . 1 1 60 60 GLY C C 60 170.300 170.300 172.459 -2.159 19872 6717 1 13 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.602 -1.702 19872 6718 1 13 . 1 1 61 61 THR N N 61 107.800 107.800 110.451 -2.651 19872 6719 1 13 . 1 1 61 61 THR HA H 61 4.740 4.740 5.006 -0.266 19872 6720 1 13 . 1 1 61 61 THR C C 61 173.100 173.100 173.494 -0.394 19872 6721 1 13 . 1 1 61 61 THR CA C 61 57.400 57.400 58.123 -0.723 19872 6722 1 13 . 1 1 61 61 THR CB C 61 68.800 68.800 70.349 -1.549 19872 6723 1 13 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.437 -0.467 19872 6724 1 13 . 1 1 62 62 PRO C C 62 177.200 177.200 177.635 -0.435 19872 6725 1 13 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.959 -0.059 19872 6726 1 13 . 1 1 62 62 PRO CB C 62 31.100 31.100 31.959 -0.859 19872 6727 1 13 . 1 1 63 63 GLU N N 63 111.900 111.900 116.597 -4.697 19872 6728 1 13 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.221 -0.281 19872 6729 1 13 . 1 1 63 63 GLU C C 63 176.500 176.500 177.270 -0.770 19872 6730 1 13 . 1 1 63 63 GLU CA C 63 58.100 58.100 57.764 0.336 19872 6731 1 13 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.143 0.057 19872 6732 1 13 . 1 1 64 64 GLN N N 64 117.700 117.700 119.252 -1.552 19872 6733 1 13 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.811 -0.331 19872 6734 1 13 . 1 1 64 64 GLN C C 64 171.500 171.500 173.461 -1.961 19872 6735 1 13 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.559 -0.159 19872 6736 1 13 . 1 1 64 64 GLN CB C 64 29.100 29.100 30.007 -0.907 19872 6737 1 13 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.551 -0.001 19872 6738 1 13 . 1 1 65 65 PRO C C 65 177.900 177.900 177.046 0.854 19872 6739 1 13 . 1 1 65 65 PRO CA C 65 63.000 63.000 63.153 -0.153 19872 6740 1 13 . 1 1 65 65 PRO CB C 65 31.700 31.700 32.508 -0.807 19872 6741 1 13 . 1 1 66 66 GLN N N 66 119.700 119.700 124.140 -4.440 19872 6742 1 13 . 1 1 66 66 GLN HA H 66 4.500 4.500 4.145 0.355 19872 6743 1 13 . 1 1 66 66 GLN C C 66 174.400 174.400 175.678 -1.278 19872 6744 1 13 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.528 -2.928 19872 6745 1 13 . 1 1 66 66 GLN CB C 66 29.100 29.100 29.392 -0.292 19872 6746 1 13 . 1 1 67 67 CYS N N 67 116.700 116.700 116.141 0.559 19872 6747 1 13 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.718 -0.018 19872 6748 1 13 . 1 1 67 67 CYS C C 67 176.500 176.500 175.712 0.788 19872 6749 1 13 . 1 1 67 67 CYS CA C 67 58.700 58.700 57.561 1.139 19872 6750 1 13 . 1 1 67 67 CYS CB C 67 32.800 32.800 29.967 2.833 19872 6751 1 13 . 1 1 68 68 GLY C C 68 176.500 176.500 176.250 0.250 19872 6752 1 13 . 1 1 68 68 GLY CA C 68 45.900 45.900 47.836 -1.936 19872 6753 1 13 . 1 1 69 69 PHE N N 69 125.800 125.800 120.312 5.488 19872 6754 1 13 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.563 0.147 19872 6755 1 13 . 1 1 69 69 PHE C C 69 178.300 178.300 177.546 0.754 19872 6756 1 13 . 1 1 69 69 PHE CA C 69 59.900 59.900 58.142 1.758 19872 6757 1 13 . 1 1 69 69 PHE CB C 69 37.900 37.900 38.536 -0.636 19872 6758 1 13 . 1 1 70 70 SER N N 70 124.200 124.200 115.619 8.581 19872 6759 1 13 . 1 1 70 70 SER HA H 70 3.980 3.980 4.142 -0.162 19872 6760 1 13 . 1 1 70 70 SER CA C 70 63.800 63.800 62.172 1.628 19872 6761 1 13 . 1 1 70 70 SER CB C 70 62.000 62.000 62.621 -0.621 19872 6762 1 13 . 1 1 71 71 ASN N N 71 118.500 118.500 121.006 -2.506 19872 6763 1 13 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.532 -0.382 19872 6764 1 13 . 1 1 71 71 ASN C C 71 175.800 175.800 176.840 -1.040 19872 6765 1 13 . 1 1 71 71 ASN CA C 71 56.400 56.400 56.141 0.259 19872 6766 1 13 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.287 0.513 19872 6767 1 13 . 1 1 72 72 ALA N N 72 119.900 119.900 122.498 -2.598 19872 6768 1 13 . 1 1 72 72 ALA HA H 72 3.980 3.980 3.945 0.035 19872 6769 1 13 . 1 1 72 72 ALA C C 72 179.700 179.700 179.650 0.050 19872 6770 1 13 . 1 1 72 72 ALA CA C 72 54.800 54.800 55.046 -0.246 19872 6771 1 13 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.029 -0.329 19872 6772 1 13 . 1 1 73 73 VAL N N 73 115.700 115.700 113.958 1.742 19872 6773 1 13 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.628 -0.288 19872 6774 1 13 . 1 1 73 73 VAL C C 73 176.300 176.300 177.379 -1.079 19872 6775 1 13 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.563 0.637 19872 6776 1 13 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.782 -0.682 19872 6777 1 13 . 1 1 74 74 VAL N N 74 118.100 118.100 120.801 -2.701 19872 6778 1 13 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.645 -0.315 19872 6779 1 13 . 1 1 74 74 VAL C C 74 178.800 178.800 178.398 0.402 19872 6780 1 13 . 1 1 74 74 VAL CA C 74 66.100 66.100 65.739 0.361 19872 6781 1 13 . 1 1 74 74 VAL CB C 74 31.100 31.100 30.851 0.249 19872 6782 1 13 . 1 1 75 75 GLN N N 75 119.000 119.000 119.630 -0.630 19872 6783 1 13 . 1 1 75 75 GLN HA H 75 3.910 3.910 3.989 -0.079 19872 6784 1 13 . 1 1 75 75 GLN C C 75 178.500 178.500 178.840 -0.340 19872 6785 1 13 . 1 1 75 75 GLN CA C 75 57.900 57.900 59.177 -1.277 19872 6786 1 13 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.268 -1.168 19872 6787 1 13 . 1 1 76 76 ILE N N 76 120.600 120.600 120.122 0.478 19872 6788 1 13 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.491 -0.171 19872 6789 1 13 . 1 1 76 76 ILE C C 76 177.600 177.600 178.223 -0.623 19872 6790 1 13 . 1 1 76 76 ILE CA C 76 64.700 64.700 64.780 -0.080 19872 6791 1 13 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.677 -0.777 19872 6792 1 13 . 1 1 77 77 LEU N N 77 117.800 117.800 120.136 -2.336 19872 6793 1 13 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.967 -0.237 19872 6794 1 13 . 1 1 77 77 LEU C C 77 178.400 178.400 179.073 -0.673 19872 6795 1 13 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.564 -0.464 19872 6796 1 13 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.571 -2.171 19872 6797 1 13 . 1 1 78 78 ARG N N 78 118.800 118.800 119.239 -0.439 19872 6798 1 13 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.217 -0.137 19872 6799 1 13 . 1 1 78 78 ARG C C 78 180.800 180.800 178.971 1.829 19872 6800 1 13 . 1 1 78 78 ARG CA C 78 58.900 58.900 58.950 -0.050 19872 6801 1 13 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.829 -0.530 19872 6802 1 13 . 1 1 79 79 LEU N N 79 123.200 123.200 119.575 3.625 19872 6803 1 13 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.040 -0.150 19872 6804 1 13 . 1 1 79 79 LEU C C 79 178.200 178.200 178.460 -0.260 19872 6805 1 13 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.170 0.329 19872 6806 1 13 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.896 -0.396 19872 6807 1 13 . 1 1 80 80 HIS N N 80 112.200 112.200 114.086 -1.886 19872 6808 1 13 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.511 -0.411 19872 6809 1 13 . 1 1 80 80 HIS C C 80 176.000 176.000 176.562 -0.562 19872 6810 1 13 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.711 0.289 19872 6811 1 13 . 1 1 80 80 HIS CB C 80 31.700 31.700 30.185 1.515 19872 6812 1 13 . 1 1 81 81 GLY N N 81 111.700 111.700 107.200 4.500 19872 6813 1 13 . 1 1 81 81 GLY C C 81 174.000 174.000 174.128 -0.128 19872 6814 1 13 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.395 0.205 19872 6815 1 13 . 1 1 82 82 VAL N N 82 120.400 120.400 123.089 -2.689 19872 6816 1 13 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.459 -0.649 19872 6817 1 13 . 1 1 82 82 VAL C C 82 174.800 174.800 175.636 -0.836 19872 6818 1 13 . 1 1 82 82 VAL CA C 82 62.200 62.200 61.777 0.423 19872 6819 1 13 . 1 1 82 82 VAL CB C 82 29.700 29.700 31.448 -1.748 19872 6820 1 13 . 1 1 83 83 ARG N N 83 126.600 126.600 125.322 1.278 19872 6821 1 13 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.271 0.089 19872 6822 1 13 . 1 1 83 83 ARG C C 83 176.000 176.000 175.003 0.997 19872 6823 1 13 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.773 -0.173 19872 6824 1 13 . 1 1 83 83 ARG CB C 83 31.100 31.100 31.409 -0.309 19872 6825 1 13 . 1 1 84 84 ASP N N 84 118.400 118.400 118.002 0.398 19872 6826 1 13 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.392 0.158 19872 6827 1 13 . 1 1 84 84 ASP C C 84 174.200 174.200 174.832 -0.632 19872 6828 1 13 . 1 1 84 84 ASP CA C 84 53.000 53.000 53.070 -0.070 19872 6829 1 13 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.406 -0.406 19872 6830 1 13 . 1 1 85 85 TYR N N 85 116.200 116.200 117.628 -1.428 19872 6831 1 13 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.991 -0.241 19872 6832 1 13 . 1 1 85 85 TYR C C 85 173.100 173.100 175.541 -2.441 19872 6833 1 13 . 1 1 85 85 TYR CA C 85 55.000 55.000 55.993 -0.993 19872 6834 1 13 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.741 0.459 19872 6835 1 13 . 1 1 86 86 ALA N N 86 125.000 125.000 122.980 2.020 19872 6836 1 13 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.530 -0.310 19872 6837 1 13 . 1 1 86 86 ALA C C 86 174.300 174.300 175.687 -1.387 19872 6838 1 13 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.582 0.218 19872 6839 1 13 . 1 1 86 86 ALA CB C 86 20.400 20.400 19.735 0.665 19872 6840 1 13 . 1 1 87 87 ALA N N 87 124.400 124.400 129.672 -5.272 19872 6841 1 13 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.582 0.588 19872 6842 1 13 . 1 1 87 87 ALA C C 87 175.400 175.400 176.223 -0.823 19872 6843 1 13 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.757 -1.857 19872 6844 1 13 . 1 1 87 87 ALA CB C 87 21.400 21.400 18.958 2.442 19872 6845 1 13 . 1 1 88 88 TYR N N 88 121.100 121.100 124.618 -3.518 19872 6846 1 13 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.208 0.282 19872 6847 1 13 . 1 1 88 88 TYR C C 88 174.100 174.100 174.798 -0.698 19872 6848 1 13 . 1 1 88 88 TYR CA C 88 56.900 56.900 57.732 -0.832 19872 6849 1 13 . 1 1 88 88 TYR CB C 88 40.200 40.200 38.386 1.814 19872 6850 1 13 . 1 1 89 89 ASN N N 89 122.300 122.300 124.171 -1.871 19872 6851 1 13 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.216 -0.026 19872 6852 1 13 . 1 1 89 89 ASN C C 89 178.000 178.000 176.315 1.685 19872 6853 1 13 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.409 -1.609 19872 6854 1 13 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.607 -0.607 19872 6855 1 13 . 1 1 90 90 VAL N N 90 117.900 117.900 122.162 -4.262 19872 6856 1 13 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.266 -0.086 19872 6857 1 13 . 1 1 90 90 VAL C C 90 176.700 176.700 175.488 1.212 19872 6858 1 13 . 1 1 90 90 VAL CA C 90 62.200 62.200 62.291 -0.091 19872 6859 1 13 . 1 1 90 90 VAL CB C 90 30.500 30.500 30.617 -0.117 19872 6860 1 13 . 1 1 91 91 LEU N N 91 118.900 118.900 120.494 -1.594 19872 6861 1 13 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.195 -0.135 19872 6862 1 13 . 1 1 91 91 LEU C C 91 177.500 177.500 178.245 -0.745 19872 6863 1 13 . 1 1 91 91 LEU CA C 91 56.000 56.000 57.118 -1.119 19872 6864 1 13 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.863 -1.463 19872 6865 1 13 . 1 1 92 92 ASP N N 92 115.500 115.500 117.873 -2.373 19872 6866 1 13 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.602 0.068 19872 6867 1 13 . 1 1 92 92 ASP C C 92 175.500 175.500 176.618 -1.118 19872 6868 1 13 . 1 1 92 92 ASP CA C 92 54.100 54.100 55.699 -1.599 19872 6869 1 13 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.529 -0.529 19872 6870 1 13 . 1 1 93 93 ASP N N 93 115.000 115.000 118.810 -3.810 19872 6871 1 13 . 1 1 93 93 ASP HA H 93 5.030 5.030 4.982 0.048 19872 6872 1 13 . 1 1 93 93 ASP C C 93 172.800 172.800 175.342 -2.542 19872 6873 1 13 . 1 1 93 93 ASP CA C 93 50.500 50.500 52.032 -1.532 19872 6874 1 13 . 1 1 93 93 ASP CB C 93 41.900 41.900 42.628 -0.728 19872 6875 1 13 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.361 -0.091 19872 6876 1 13 . 1 1 94 94 PRO C C 94 179.300 179.300 178.064 1.236 19872 6877 1 13 . 1 1 94 94 PRO CA C 94 64.100 64.100 64.736 -0.636 19872 6878 1 13 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.346 -0.547 19872 6879 1 13 . 1 1 95 95 GLU N N 95 118.600 118.600 119.136 -0.536 19872 6880 1 13 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.077 -0.037 19872 6881 1 13 . 1 1 95 95 GLU C C 95 179.500 179.500 178.947 0.553 19872 6882 1 13 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.159 -0.559 19872 6883 1 13 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.135 0.465 19872 6884 1 13 . 1 1 96 96 LEU N N 96 123.800 123.800 120.246 3.554 19872 6885 1 13 . 1 1 96 96 LEU HA H 96 3.890 3.890 3.988 -0.098 19872 6886 1 13 . 1 1 96 96 LEU C C 96 177.200 177.200 179.121 -1.921 19872 6887 1 13 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.680 -0.580 19872 6888 1 13 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.581 -0.281 19872 6889 1 13 . 1 1 97 97 ARG N N 97 117.900 117.900 119.428 -1.528 19872 6890 1 13 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.876 -0.336 19872 6891 1 13 . 1 1 97 97 ARG C C 97 176.400 176.400 178.479 -2.079 19872 6892 1 13 . 1 1 97 97 ARG CA C 97 59.900 59.900 59.959 -0.059 19872 6893 1 13 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.090 0.310 19872 6894 1 13 . 1 1 98 98 GLN N N 98 114.400 114.400 118.218 -3.818 19872 6895 1 13 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.115 -0.295 19872 6896 1 13 . 1 1 98 98 GLN C C 98 177.500 177.500 178.469 -0.969 19872 6897 1 13 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.566 -1.666 19872 6898 1 13 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.139 -0.139 19872 6899 1 13 . 1 1 99 99 GLY N N 99 107.700 107.700 108.322 -0.622 19872 6900 1 13 . 1 1 99 99 GLY C C 99 176.700 176.700 176.179 0.521 19872 6901 1 13 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.236 -0.736 19872 6902 1 13 . 1 1 100 100 ILE N N 100 120.900 120.900 122.149 -1.249 19872 6903 1 13 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.821 0.159 19872 6904 1 13 . 1 1 100 100 ILE C C 100 176.800 176.800 177.627 -0.827 19872 6905 1 13 . 1 1 100 100 ILE CA C 100 60.500 60.500 60.826 -0.326 19872 6906 1 13 . 1 1 100 100 ILE CB C 100 37.500 37.500 37.925 -0.424 19872 6907 1 13 . 1 1 101 101 LYS N N 101 124.600 124.600 121.080 3.520 19872 6908 1 13 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.200 -0.120 19872 6909 1 13 . 1 1 101 101 LYS C C 101 178.900 178.900 178.806 0.094 19872 6910 1 13 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.926 -1.226 19872 6911 1 13 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.266 -0.466 19872 6912 1 13 . 1 1 102 102 ASP N N 102 118.700 118.700 118.978 -0.278 19872 6913 1 13 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.473 -0.223 19872 6914 1 13 . 1 1 102 102 ASP C C 102 177.700 177.700 178.994 -1.294 19872 6915 1 13 . 1 1 102 102 ASP CA C 102 56.200 56.200 56.925 -0.725 19872 6916 1 13 . 1 1 102 102 ASP CB C 102 39.700 39.700 40.999 -1.299 19872 6917 1 13 . 1 1 103 103 TYR N N 103 120.300 120.300 120.613 -0.313 19872 6918 1 13 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.216 -0.156 19872 6919 1 13 . 1 1 103 103 TYR C C 103 176.600 176.600 176.998 -0.398 19872 6920 1 13 . 1 1 103 103 TYR CA C 103 60.500 60.500 61.511 -1.012 19872 6921 1 13 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.702 1.198 19872 6922 1 13 . 1 1 104 104 SER N N 104 110.900 110.900 112.113 -1.213 19872 6923 1 13 . 1 1 104 104 SER HA H 104 3.900 3.900 4.217 -0.317 19872 6924 1 13 . 1 1 104 104 SER C C 104 174.600 174.600 173.884 0.716 19872 6925 1 13 . 1 1 104 104 SER CA C 104 57.700 57.700 59.155 -1.455 19872 6926 1 13 . 1 1 104 104 SER CB C 104 63.900 63.900 63.953 -0.053 19872 6927 1 13 . 1 1 105 105 ASN N N 105 117.900 117.900 116.042 1.858 19872 6928 1 13 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.566 -0.366 19872 6929 1 13 . 1 1 105 105 ASN C C 105 173.200 173.200 174.587 -1.387 19872 6930 1 13 . 1 1 105 105 ASN CA C 105 53.800 53.800 54.959 -1.159 19872 6931 1 13 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.328 -1.128 19872 6932 1 13 . 1 1 106 106 TRP N N 106 120.600 120.600 118.611 1.989 19872 6933 1 13 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.073 0.007 19872 6934 1 13 . 1 1 106 106 TRP C C 106 175.400 175.400 174.543 0.857 19872 6935 1 13 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.074 -1.574 19872 6936 1 13 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.208 -0.208 19872 6937 1 13 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.241 -0.071 19872 6938 1 13 . 1 1 107 107 PRO C C 107 175.900 175.900 175.750 0.150 19872 6939 1 13 . 1 1 107 107 PRO CA C 107 63.700 63.700 65.072 -1.372 19872 6940 1 13 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.175 -0.575 19872 6941 1 13 . 1 1 108 108 THR N N 108 110.500 110.500 111.043 -0.543 19872 6942 1 13 . 1 1 108 108 THR HA H 108 4.300 4.300 4.546 -0.246 19872 6943 1 13 . 1 1 108 108 THR C C 108 171.400 171.400 172.909 -1.509 19872 6944 1 13 . 1 1 108 108 THR CA C 108 60.400 60.400 61.905 -1.505 19872 6945 1 13 . 1 1 108 108 THR CB C 108 70.400 70.400 69.362 1.038 19872 6946 1 13 . 1 1 109 109 ILE N N 109 123.100 123.100 125.089 -1.989 19872 6947 1 13 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.664 -0.404 19872 6948 1 13 . 1 1 109 109 ILE C C 109 175.000 175.000 173.576 1.424 19872 6949 1 13 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.531 -1.631 19872 6950 1 13 . 1 1 109 109 ILE CB C 109 40.100 40.100 41.031 -0.931 19872 6951 1 13 . 1 1 110 110 PRO HA H 110 5.340 5.340 4.955 0.385 19872 6952 1 13 . 1 1 110 110 PRO C C 110 175.600 175.600 175.393 0.207 19872 6953 1 13 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.147 -0.647 19872 6954 1 13 . 1 1 110 110 PRO CB C 110 37.500 37.500 33.384 4.116 19872 6955 1 13 . 1 1 111 111 GLN N N 111 114.700 114.700 118.567 -3.867 19872 6956 1 13 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.367 -0.437 19872 6957 1 13 . 1 1 111 111 GLN C C 111 174.100 174.100 174.663 -0.563 19872 6958 1 13 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.915 0.485 19872 6959 1 13 . 1 1 111 111 GLN CB C 111 33.900 33.900 33.215 0.685 19872 6960 1 13 . 1 1 112 112 VAL N N 112 121.000 121.000 119.491 1.509 19872 6961 1 13 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.203 -0.423 19872 6962 1 13 . 1 1 112 112 VAL C C 112 172.300 172.300 173.667 -1.367 19872 6963 1 13 . 1 1 112 112 VAL CA C 112 61.200 61.200 60.572 0.628 19872 6964 1 13 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.901 -2.401 19872 6965 1 13 . 1 1 113 113 TYR N N 113 128.400 128.400 126.776 1.624 19872 6966 1 13 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.318 -0.348 19872 6967 1 13 . 1 1 113 113 TYR C C 113 173.800 173.800 174.613 -0.813 19872 6968 1 13 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.795 -0.095 19872 6969 1 13 . 1 1 113 113 TYR CB C 113 41.000 41.000 40.665 0.335 19872 6970 1 13 . 1 1 114 114 LEU N N 114 117.900 117.900 123.337 -5.437 19872 6971 1 13 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.257 0.073 19872 6972 1 13 . 1 1 114 114 LEU C C 114 178.300 178.300 177.566 0.734 19872 6973 1 13 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.584 -1.484 19872 6974 1 13 . 1 1 114 114 LEU CB C 114 43.300 43.300 44.189 -0.889 19872 6975 1 13 . 1 1 115 115 ASN N N 115 125.000 125.000 122.091 2.909 19872 6976 1 13 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.425 0.075 19872 6977 1 13 . 1 1 115 115 ASN C C 115 175.500 175.500 175.468 0.032 19872 6978 1 13 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.183 -1.483 19872 6979 1 13 . 1 1 115 115 ASN CB C 115 38.700 38.700 38.114 0.586 19872 6980 1 13 . 1 1 116 116 GLY N N 116 105.000 105.000 102.739 2.261 19872 6981 1 13 . 1 1 116 116 GLY C C 116 172.900 172.900 173.176 -0.276 19872 6982 1 13 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.929 -0.829 19872 6983 1 13 . 1 1 117 117 GLU N N 117 118.900 118.900 118.950 -0.050 19872 6984 1 13 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.985 -0.235 19872 6985 1 13 . 1 1 117 117 GLU C C 117 174.700 174.700 174.638 0.062 19872 6986 1 13 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.009 -0.009 19872 6987 1 13 . 1 1 117 117 GLU CB C 117 31.600 31.600 33.426 -1.827 19872 6988 1 13 . 1 1 118 118 PHE N N 118 124.400 124.400 125.060 -0.660 19872 6989 1 13 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.290 -1.100 19872 6990 1 13 . 1 1 118 118 PHE C C 118 175.500 175.500 174.770 0.730 19872 6991 1 13 . 1 1 118 118 PHE CA C 118 57.500 57.500 57.486 0.014 19872 6992 1 13 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.566 -1.466 19872 6993 1 13 . 1 1 119 119 VAL N N 119 126.900 126.900 125.922 0.978 19872 6994 1 13 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.108 -0.398 19872 6995 1 13 . 1 1 119 119 VAL C C 119 174.200 174.200 174.404 -0.204 19872 6996 1 13 . 1 1 119 119 VAL CA C 119 61.900 61.900 62.154 -0.254 19872 6997 1 13 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.014 -1.614 19872 6998 1 13 . 1 1 120 120 GLY N N 120 101.400 101.400 105.645 -4.245 19872 6999 1 13 . 1 1 120 120 GLY CA C 120 44.100 44.100 45.025 -0.925 19872 7000 1 13 . 1 1 121 121 GLY N N 121 106.300 106.300 106.000 0.300 19872 7001 1 13 . 1 1 121 121 GLY C C 121 173.100 173.100 175.067 -1.967 19872 7002 1 13 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.582 -0.382 19872 7003 1 13 . 1 1 122 122 CYS N N 122 119.400 119.400 119.741 -0.341 19872 7004 1 13 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.061 -0.401 19872 7005 1 13 . 1 1 122 122 CYS C C 122 174.800 174.800 176.028 -1.228 19872 7006 1 13 . 1 1 122 122 CYS CA C 122 61.800 61.800 62.060 -0.260 19872 7007 1 13 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.652 -0.052 19872 7008 1 13 . 1 1 123 123 ASP N N 123 117.700 117.700 118.635 -0.935 19872 7009 1 13 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.580 -0.340 19872 7010 1 13 . 1 1 123 123 ASP C C 123 179.100 179.100 177.237 1.863 19872 7011 1 13 . 1 1 123 123 ASP CA C 123 57.700 57.700 56.288 1.412 19872 7012 1 13 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.732 -1.532 19872 7013 1 13 . 1 1 124 124 ILE N N 124 120.700 120.700 119.055 1.645 19872 7014 1 13 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.943 -0.223 19872 7015 1 13 . 1 1 124 124 ILE C C 124 177.200 177.200 177.772 -0.572 19872 7016 1 13 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.148 0.952 19872 7017 1 13 . 1 1 124 124 ILE CB C 124 37.000 37.000 38.023 -1.023 19872 7018 1 13 . 1 1 125 125 LEU N N 125 122.000 122.000 122.778 -0.778 19872 7019 1 13 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.951 -0.121 19872 7020 1 13 . 1 1 125 125 LEU C C 125 178.800 178.800 178.399 0.401 19872 7021 1 13 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.477 -1.077 19872 7022 1 13 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.666 -0.866 19872 7023 1 13 . 1 1 126 126 LEU N N 126 118.200 118.200 116.231 1.969 19872 7024 1 13 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.077 -0.117 19872 7025 1 13 . 1 1 126 126 LEU C C 126 179.100 179.100 178.464 0.636 19872 7026 1 13 . 1 1 126 126 LEU CA C 126 57.800 57.800 56.984 0.816 19872 7027 1 13 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.810 -0.010 19872 7028 1 13 . 1 1 127 127 GLN N N 127 119.900 119.900 117.876 2.024 19872 7029 1 13 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.193 -0.223 19872 7030 1 13 . 1 1 127 127 GLN C C 127 178.200 178.200 178.244 -0.044 19872 7031 1 13 . 1 1 127 127 GLN CA C 127 59.000 59.000 58.024 0.976 19872 7032 1 13 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.848 -0.948 19872 7033 1 13 . 1 1 128 128 MET N N 128 117.500 117.500 118.523 -1.023 19872 7034 1 13 . 1 1 128 128 MET HA H 128 4.360 4.360 4.138 0.222 19872 7035 1 13 . 1 1 128 128 MET C C 128 179.600 179.600 178.782 0.818 19872 7036 1 13 . 1 1 128 128 MET CA C 128 57.800 57.800 58.917 -1.117 19872 7037 1 13 . 1 1 128 128 MET CB C 128 33.500 33.500 32.528 0.972 19872 7038 1 13 . 1 1 129 129 HIS N N 129 122.300 122.300 119.846 2.454 19872 7039 1 13 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.342 0.008 19872 7040 1 13 . 1 1 129 129 HIS C C 129 177.000 177.000 177.637 -0.637 19872 7041 1 13 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.020 -0.820 19872 7042 1 13 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.779 1.321 19872 7043 1 13 . 1 1 130 130 GLN N N 130 116.700 116.700 116.993 -0.293 19872 7044 1 13 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.073 -0.313 19872 7045 1 13 . 1 1 130 130 GLN C C 130 177.600 177.600 177.557 0.043 19872 7046 1 13 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.218 0.582 19872 7047 1 13 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.193 -0.893 19872 7048 1 13 . 1 1 131 131 ASN N N 131 114.200 114.200 117.624 -3.424 19872 7049 1 13 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.657 -0.037 19872 7050 1 13 . 1 1 131 131 ASN C C 131 176.600 176.600 176.103 0.497 19872 7051 1 13 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.235 -0.935 19872 7052 1 13 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.384 -1.384 19872 7053 1 13 . 1 1 132 132 GLY N N 132 106.600 106.600 106.796 -0.196 19872 7054 1 13 . 1 1 132 132 GLY C C 132 175.300 175.300 174.977 0.323 19872 7055 1 13 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.302 -0.102 19872 7056 1 13 . 1 1 133 133 ASP N N 133 122.900 122.900 121.520 1.380 19872 7057 1 13 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.580 -0.210 19872 7058 1 13 . 1 1 133 133 ASP C C 133 178.700 178.700 177.844 0.856 19872 7059 1 13 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.441 0.259 19872 7060 1 13 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.711 -0.711 19872 7061 1 13 . 1 1 134 134 LEU N N 134 118.900 118.900 119.046 -0.146 19872 7062 1 13 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.096 -0.316 19872 7063 1 13 . 1 1 134 134 LEU C C 134 177.300 177.300 177.837 -0.537 19872 7064 1 13 . 1 1 134 134 LEU CA C 134 57.300 57.300 57.153 0.147 19872 7065 1 13 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.768 -1.768 19872 7066 1 13 . 1 1 135 135 VAL N N 135 116.600 116.600 118.902 -2.302 19872 7067 1 13 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.671 -0.271 19872 7068 1 13 . 1 1 135 135 VAL C C 135 178.300 178.300 178.312 -0.012 19872 7069 1 13 . 1 1 135 135 VAL CA C 135 66.800 66.800 65.654 1.146 19872 7070 1 13 . 1 1 135 135 VAL CB C 135 31.200 31.200 30.674 0.526 19872 7071 1 13 . 1 1 136 136 GLU N N 136 118.600 118.600 119.051 -0.451 19872 7072 1 13 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.077 -0.057 19872 7073 1 13 . 1 1 136 136 GLU C C 136 178.800 178.800 179.046 -0.246 19872 7074 1 13 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.012 -1.012 19872 7075 1 13 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.843 -0.343 19872 7076 1 13 . 1 1 137 137 GLU N N 137 119.500 119.500 120.672 -1.172 19872 7077 1 13 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.050 -0.160 19872 7078 1 13 . 1 1 137 137 GLU C C 137 179.500 179.500 178.977 0.523 19872 7079 1 13 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.921 -0.921 19872 7080 1 13 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.209 -0.609 19872 7081 1 13 . 1 1 138 138 LEU N N 138 117.400 117.400 119.447 -2.047 19872 7082 1 13 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.964 -0.074 19872 7083 1 13 . 1 1 138 138 LEU C C 138 179.200 179.200 178.851 0.349 19872 7084 1 13 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.619 -0.119 19872 7085 1 13 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.747 -2.447 19872 7086 1 13 . 1 1 139 139 LYS N N 139 121.100 121.100 119.192 1.908 19872 7087 1 13 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.101 -0.251 19872 7088 1 13 . 1 1 139 139 LYS C C 139 180.900 180.900 179.745 1.155 19872 7089 1 13 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.307 0.293 19872 7090 1 13 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.149 -0.349 19872 7091 1 13 . 1 1 140 140 LYS N N 140 119.800 119.800 120.708 -0.908 19872 7092 1 13 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.072 -0.132 19872 7093 1 13 . 1 1 140 140 LYS C C 140 177.600 177.600 178.137 -0.537 19872 7094 1 13 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.896 -0.196 19872 7095 1 13 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.131 -0.231 19872 7096 1 13 . 1 1 141 141 LEU N N 141 116.600 116.600 116.549 0.051 19872 7097 1 13 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.323 -0.003 19872 7098 1 13 . 1 1 141 141 LEU C C 141 176.400 176.400 177.565 -1.165 19872 7099 1 13 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.588 -0.988 19872 7100 1 13 . 1 1 141 141 LEU CB C 141 42.000 42.000 42.013 -0.013 19872 7101 1 13 . 1 1 142 142 GLY N N 142 107.200 107.200 107.864 -0.664 19872 7102 1 13 . 1 1 142 142 GLY C C 142 173.900 173.900 174.861 -0.961 19872 7103 1 13 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.571 -0.571 19872 7104 1 13 . 1 1 143 143 ILE N N 143 121.600 121.600 120.975 0.625 19872 7105 1 13 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.041 -0.021 19872 7106 1 13 . 1 1 143 143 ILE C C 143 173.900 173.900 175.489 -1.589 19872 7107 1 13 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.600 -1.600 19872 7108 1 13 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.793 -0.093 19872 7109 1 13 . 1 1 144 144 HIS N N 144 128.000 128.000 125.636 2.364 19872 7110 1 13 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.722 -0.382 19872 7111 1 13 . 1 1 144 144 HIS C C 144 173.800 173.800 174.906 -1.106 19872 7112 1 13 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.268 -0.968 19872 7113 1 13 . 1 1 144 144 HIS CB C 144 28.600 28.600 30.701 -2.101 19872 7114 1 13 . 1 1 145 145 SER N N 145 121.400 121.400 123.967 -2.567 19872 7115 1 13 . 1 1 145 145 SER HA H 145 4.470 4.470 4.576 -0.106 19872 7116 1 13 . 1 1 145 145 SER CA C 145 57.800 57.800 57.971 -0.171 19872 7117 1 13 . 1 1 145 145 SER CB C 145 62.200 62.200 63.525 -1.325 19872 7118 1 13 . 1 1 146 146 ALA N N 146 130.100 130.100 131.579 -1.479 19872 7119 1 13 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.139 0.041 19872 7120 1 13 . 1 1 146 146 ALA C C 146 178.100 178.100 179.277 -1.177 19872 7121 1 13 . 1 1 146 146 ALA CA C 146 52.900 52.900 54.194 -1.294 19872 7122 1 13 . 1 1 146 146 ALA CB C 146 17.700 17.700 18.768 -1.068 19872 7123 1 13 . 1 1 147 147 LEU N N 147 117.800 117.800 118.881 -1.081 19872 7124 1 13 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.056 0.004 19872 7125 1 13 . 1 1 147 147 LEU C C 147 177.700 177.700 178.742 -1.042 19872 7126 1 13 . 1 1 147 147 LEU CA C 147 55.100 55.100 56.568 -1.468 19872 7127 1 13 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.218 -0.818 19872 7128 1 13 . 1 1 148 148 LEU N N 148 120.100 120.100 118.303 1.797 19872 7129 1 13 . 1 1 148 148 LEU HA H 148 4.180 4.180 4.119 0.061 19872 7130 1 13 . 1 1 148 148 LEU C C 148 176.500 176.500 177.887 -1.387 19872 7131 1 13 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.158 -2.458 19872 7132 1 13 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.043 0.957 19872 7133 1 13 . 1 1 149 149 ASP N N 149 121.900 121.900 118.229 3.671 19872 7134 1 13 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.851 -0.251 19872 7135 1 13 . 1 1 149 149 ASP C C 149 174.800 174.800 175.168 -0.368 19872 7136 1 13 . 1 1 149 149 ASP CA C 149 53.900 53.900 54.141 -0.241 19872 7137 1 13 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.768 -1.168 19872 7138 1 14 . 1 1 2 2 SER HA H 2 4.360 4.360 4.241 0.119 19872 7139 1 14 . 1 1 2 2 SER C C 2 173.800 173.800 174.668 -0.868 19872 7140 1 14 . 1 1 2 2 SER CA C 2 58.000 58.000 58.267 -0.267 19872 7141 1 14 . 1 1 2 2 SER CB C 2 63.100 63.100 63.808 -0.708 19872 7142 1 14 . 1 1 3 3 PHE N N 3 122.000 122.000 122.100 -0.100 19872 7143 1 14 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.501 0.109 19872 7144 1 14 . 1 1 3 3 PHE C C 3 175.300 175.300 177.774 -2.474 19872 7145 1 14 . 1 1 3 3 PHE CA C 3 57.300 57.300 57.166 0.134 19872 7146 1 14 . 1 1 3 3 PHE CB C 3 39.300 39.300 39.741 -0.441 19872 7147 1 14 . 1 1 4 4 THR N N 4 116.900 116.900 113.757 3.143 19872 7148 1 14 . 1 1 4 4 THR HA H 4 4.180 4.180 4.163 0.017 19872 7149 1 14 . 1 1 4 4 THR C C 4 173.800 173.800 175.294 -1.494 19872 7150 1 14 . 1 1 4 4 THR CA C 4 61.000 61.000 64.765 -3.765 19872 7151 1 14 . 1 1 4 4 THR CB C 4 69.300 69.300 69.217 0.083 19872 7152 1 14 . 1 1 36 36 ALA N N 36 123.600 123.600 121.645 1.955 19872 7153 1 14 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.357 -0.127 19872 7154 1 14 . 1 1 36 36 ALA C C 36 178.100 178.100 178.071 0.029 19872 7155 1 14 . 1 1 36 36 ALA CA C 36 52.000 52.000 52.611 -0.611 19872 7156 1 14 . 1 1 36 36 ALA CB C 36 18.700 18.700 19.192 -0.492 19872 7157 1 14 . 1 1 37 37 GLY N N 37 108.200 108.200 105.215 2.985 19872 7158 1 14 . 1 1 37 37 GLY C C 37 174.500 174.500 175.198 -0.698 19872 7159 1 14 . 1 1 37 37 GLY CA C 37 44.800 44.800 45.070 -0.270 19872 7160 1 14 . 1 1 38 38 GLY N N 38 108.200 108.200 107.744 0.456 19872 7161 1 14 . 1 1 38 38 GLY C C 38 174.500 174.500 174.050 0.450 19872 7162 1 14 . 1 1 38 38 GLY CA C 38 44.700 44.700 44.157 0.543 19872 7163 1 14 . 1 1 39 39 GLY N N 39 108.600 108.600 107.469 1.131 19872 7164 1 14 . 1 1 39 39 GLY C C 39 174.100 174.100 174.593 -0.493 19872 7165 1 14 . 1 1 39 39 GLY CA C 39 44.800 44.800 44.245 0.555 19872 7166 1 14 . 1 1 40 40 GLY N N 40 107.700 107.700 114.752 -7.052 19872 7167 1 14 . 1 1 40 40 GLY C C 40 174.100 174.100 173.948 0.152 19872 7168 1 14 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.679 0.021 19872 7169 1 14 . 1 1 41 41 SER N N 41 115.700 115.700 113.086 2.614 19872 7170 1 14 . 1 1 41 41 SER HA H 41 4.220 4.220 4.033 0.187 19872 7171 1 14 . 1 1 41 41 SER C C 41 174.800 174.800 175.726 -0.926 19872 7172 1 14 . 1 1 41 41 SER CA C 41 58.400 58.400 59.147 -0.747 19872 7173 1 14 . 1 1 41 41 SER CB C 41 63.100 63.100 63.271 -0.171 19872 7174 1 14 . 1 1 42 42 ALA N N 42 124.700 124.700 124.987 -0.287 19872 7175 1 14 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.171 -0.221 19872 7176 1 14 . 1 1 42 42 ALA C C 42 178.800 178.800 179.079 -0.279 19872 7177 1 14 . 1 1 42 42 ALA CA C 42 54.700 54.700 54.972 -0.272 19872 7178 1 14 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.855 -1.155 19872 7179 1 14 . 1 1 43 43 GLU N N 43 116.700 116.700 117.136 -0.436 19872 7180 1 14 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.040 -0.091 19872 7181 1 14 . 1 1 43 43 GLU C C 43 178.800 178.800 178.915 -0.115 19872 7182 1 14 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.591 -0.091 19872 7183 1 14 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.732 -0.132 19872 7184 1 14 . 1 1 44 44 GLN N N 44 119.400 119.400 121.554 -2.154 19872 7185 1 14 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.289 -0.319 19872 7186 1 14 . 1 1 44 44 GLN C C 44 178.200 178.200 178.085 0.115 19872 7187 1 14 . 1 1 44 44 GLN CA C 44 57.600 57.600 58.059 -0.459 19872 7188 1 14 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.703 -0.603 19872 7189 1 14 . 1 1 45 45 LEU N N 45 121.700 121.700 120.338 1.362 19872 7190 1 14 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.857 -0.287 19872 7191 1 14 . 1 1 45 45 LEU C C 45 177.300 177.300 178.918 -1.618 19872 7192 1 14 . 1 1 45 45 LEU CA C 45 56.500 56.500 57.804 -1.304 19872 7193 1 14 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.595 -1.095 19872 7194 1 14 . 1 1 46 46 ASP N N 46 118.000 118.000 119.347 -1.347 19872 7195 1 14 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.316 -0.286 19872 7196 1 14 . 1 1 46 46 ASP C C 46 176.800 176.800 177.675 -0.875 19872 7197 1 14 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.313 -0.713 19872 7198 1 14 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.714 0.886 19872 7199 1 14 . 1 1 47 47 ALA N N 47 116.100 116.100 121.214 -5.114 19872 7200 1 14 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.164 -0.274 19872 7201 1 14 . 1 1 47 47 ALA C C 47 180.300 180.300 178.565 1.735 19872 7202 1 14 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.065 -0.065 19872 7203 1 14 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.832 -1.432 19872 7204 1 14 . 1 1 48 48 LEU N N 48 117.800 117.800 118.301 -0.501 19872 7205 1 14 . 1 1 48 48 LEU HA H 48 3.840 3.840 3.981 -0.141 19872 7206 1 14 . 1 1 48 48 LEU C C 48 180.100 180.100 179.102 0.998 19872 7207 1 14 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.480 -0.080 19872 7208 1 14 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.592 -0.692 19872 7209 1 14 . 1 1 49 49 VAL N N 49 112.100 112.100 114.397 -2.297 19872 7210 1 14 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.773 0.107 19872 7211 1 14 . 1 1 49 49 VAL C C 49 176.000 176.000 177.307 -1.307 19872 7212 1 14 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.232 -1.032 19872 7213 1 14 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.012 -0.012 19872 7214 1 14 . 1 1 50 50 LYS N N 50 115.400 115.400 117.643 -2.243 19872 7215 1 14 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.394 -0.234 19872 7216 1 14 . 1 1 50 50 LYS C C 50 177.900 177.900 177.096 0.804 19872 7217 1 14 . 1 1 50 50 LYS CA C 50 56.200 56.200 55.394 0.806 19872 7218 1 14 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.231 1.169 19872 7219 1 14 . 1 1 51 51 LYS N N 51 119.000 119.000 119.319 -0.319 19872 7220 1 14 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.178 -0.258 19872 7221 1 14 . 1 1 51 51 LYS C C 51 174.700 174.700 176.791 -2.091 19872 7222 1 14 . 1 1 51 51 LYS CA C 51 58.000 58.000 58.055 -0.055 19872 7223 1 14 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.716 -0.416 19872 7224 1 14 . 1 1 52 52 ASP N N 52 113.400 113.400 115.877 -2.477 19872 7225 1 14 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.872 0.118 19872 7226 1 14 . 1 1 52 52 ASP C C 52 174.400 174.400 175.625 -1.225 19872 7227 1 14 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.839 -1.039 19872 7228 1 14 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.939 1.661 19872 7229 1 14 . 1 1 53 53 LYS N N 53 119.500 119.500 118.236 1.264 19872 7230 1 14 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.453 -0.443 19872 7231 1 14 . 1 1 53 53 LYS C C 53 176.100 176.100 176.564 -0.464 19872 7232 1 14 . 1 1 53 53 LYS CA C 53 59.800 59.800 56.798 3.002 19872 7233 1 14 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.968 -0.368 19872 7234 1 14 . 1 1 54 54 VAL N N 54 117.700 117.700 118.540 -0.840 19872 7235 1 14 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.653 -0.033 19872 7236 1 14 . 1 1 54 54 VAL C C 54 173.700 173.700 174.037 -0.337 19872 7237 1 14 . 1 1 54 54 VAL CA C 54 60.900 60.900 61.292 -0.392 19872 7238 1 14 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.445 -0.145 19872 7239 1 14 . 1 1 55 55 VAL N N 55 127.100 127.100 126.539 0.561 19872 7240 1 14 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.627 0.323 19872 7241 1 14 . 1 1 55 55 VAL C C 55 174.400 174.400 175.413 -1.013 19872 7242 1 14 . 1 1 55 55 VAL CA C 55 60.600 60.600 61.063 -0.463 19872 7243 1 14 . 1 1 55 55 VAL CB C 55 35.200 35.200 31.429 3.771 19872 7244 1 14 . 1 1 56 56 VAL N N 56 119.700 119.700 128.137 -8.437 19872 7245 1 14 . 1 1 56 56 VAL HA H 56 5.440 5.440 4.992 0.448 19872 7246 1 14 . 1 1 56 56 VAL C C 56 173.400 173.400 174.795 -1.395 19872 7247 1 14 . 1 1 56 56 VAL CA C 56 58.000 58.000 60.980 -2.981 19872 7248 1 14 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.386 0.414 19872 7249 1 14 . 1 1 57 57 PHE N N 57 122.400 122.400 124.335 -1.935 19872 7250 1 14 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.196 0.014 19872 7251 1 14 . 1 1 57 57 PHE C C 57 174.800 174.800 173.954 0.846 19872 7252 1 14 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.230 -0.830 19872 7253 1 14 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.752 -1.052 19872 7254 1 14 . 1 1 58 58 LEU N N 58 120.500 120.500 120.092 0.408 19872 7255 1 14 . 1 1 58 58 LEU HA H 58 4.700 4.700 4.941 -0.241 19872 7256 1 14 . 1 1 58 58 LEU C C 58 175.500 175.500 175.556 -0.056 19872 7257 1 14 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.987 -0.987 19872 7258 1 14 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.167 -0.067 19872 7259 1 14 . 1 1 59 59 LYS N N 59 117.800 117.800 121.269 -3.469 19872 7260 1 14 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.378 -0.028 19872 7261 1 14 . 1 1 59 59 LYS C C 59 175.200 175.200 175.978 -0.778 19872 7262 1 14 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.622 -0.522 19872 7263 1 14 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.616 0.684 19872 7264 1 14 . 1 1 60 60 GLY N N 60 114.800 114.800 109.744 5.056 19872 7265 1 14 . 1 1 60 60 GLY C C 60 170.300 170.300 172.341 -2.041 19872 7266 1 14 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.627 -1.727 19872 7267 1 14 . 1 1 61 61 THR N N 61 107.800 107.800 110.158 -2.358 19872 7268 1 14 . 1 1 61 61 THR HA H 61 4.740 4.740 5.042 -0.302 19872 7269 1 14 . 1 1 61 61 THR C C 61 173.100 173.100 173.324 -0.224 19872 7270 1 14 . 1 1 61 61 THR CA C 61 57.400 57.400 58.088 -0.688 19872 7271 1 14 . 1 1 61 61 THR CB C 61 68.800 68.800 70.843 -2.042 19872 7272 1 14 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.481 -0.511 19872 7273 1 14 . 1 1 62 62 PRO C C 62 177.200 177.200 177.388 -0.188 19872 7274 1 14 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.831 0.069 19872 7275 1 14 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.139 -1.039 19872 7276 1 14 . 1 1 63 63 GLU N N 63 111.900 111.900 116.234 -4.334 19872 7277 1 14 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.323 -0.383 19872 7278 1 14 . 1 1 63 63 GLU C C 63 176.500 176.500 176.989 -0.489 19872 7279 1 14 . 1 1 63 63 GLU CA C 63 58.100 58.100 57.218 0.882 19872 7280 1 14 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.024 0.176 19872 7281 1 14 . 1 1 64 64 GLN N N 64 117.700 117.700 119.280 -1.580 19872 7282 1 14 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.796 -0.316 19872 7283 1 14 . 1 1 64 64 GLN C C 64 171.500 171.500 173.477 -1.977 19872 7284 1 14 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.625 -0.225 19872 7285 1 14 . 1 1 64 64 GLN CB C 64 29.100 29.100 30.044 -0.944 19872 7286 1 14 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.394 0.156 19872 7287 1 14 . 1 1 65 65 PRO C C 65 177.900 177.900 176.905 0.995 19872 7288 1 14 . 1 1 65 65 PRO CA C 65 63.000 63.000 63.496 -0.496 19872 7289 1 14 . 1 1 65 65 PRO CB C 65 31.700 31.700 32.178 -0.478 19872 7290 1 14 . 1 1 66 66 GLN N N 66 119.700 119.700 123.677 -3.977 19872 7291 1 14 . 1 1 66 66 GLN HA H 66 4.500 4.500 4.120 0.380 19872 7292 1 14 . 1 1 66 66 GLN C C 66 174.400 174.400 175.718 -1.318 19872 7293 1 14 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.582 -2.982 19872 7294 1 14 . 1 1 66 66 GLN CB C 66 29.100 29.100 29.032 0.068 19872 7295 1 14 . 1 1 67 67 CYS N N 67 116.700 116.700 118.510 -1.810 19872 7296 1 14 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.703 -0.003 19872 7297 1 14 . 1 1 67 67 CYS C C 67 176.500 176.500 174.817 1.683 19872 7298 1 14 . 1 1 67 67 CYS CA C 67 58.700 58.700 58.807 -0.107 19872 7299 1 14 . 1 1 67 67 CYS CB C 67 32.800 32.800 29.798 3.002 19872 7300 1 14 . 1 1 68 68 GLY C C 68 176.500 176.500 175.736 0.764 19872 7301 1 14 . 1 1 68 68 GLY CA C 68 45.900 45.900 46.656 -0.756 19872 7302 1 14 . 1 1 69 69 PHE N N 69 125.800 125.800 121.835 3.965 19872 7303 1 14 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.424 0.286 19872 7304 1 14 . 1 1 69 69 PHE C C 69 178.300 178.300 176.839 1.461 19872 7305 1 14 . 1 1 69 69 PHE CA C 69 59.900 59.900 56.438 3.462 19872 7306 1 14 . 1 1 69 69 PHE CB C 69 37.900 37.900 36.762 1.138 19872 7307 1 14 . 1 1 70 70 SER N N 70 124.200 124.200 117.244 6.956 19872 7308 1 14 . 1 1 70 70 SER HA H 70 3.980 3.980 4.040 -0.060 19872 7309 1 14 . 1 1 70 70 SER CA C 70 63.800 63.800 61.654 2.146 19872 7310 1 14 . 1 1 70 70 SER CB C 70 62.000 62.000 62.917 -0.917 19872 7311 1 14 . 1 1 71 71 ASN N N 71 118.500 118.500 120.686 -2.186 19872 7312 1 14 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.559 -0.409 19872 7313 1 14 . 1 1 71 71 ASN C C 71 175.800 175.800 176.333 -0.533 19872 7314 1 14 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.006 1.394 19872 7315 1 14 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.475 0.325 19872 7316 1 14 . 1 1 72 72 ALA N N 72 119.900 119.900 122.107 -2.207 19872 7317 1 14 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.084 -0.104 19872 7318 1 14 . 1 1 72 72 ALA C C 72 179.700 179.700 179.479 0.221 19872 7319 1 14 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.948 -0.148 19872 7320 1 14 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.063 -0.363 19872 7321 1 14 . 1 1 73 73 VAL N N 73 115.700 115.700 115.308 0.392 19872 7322 1 14 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.651 -0.311 19872 7323 1 14 . 1 1 73 73 VAL C C 73 176.300 176.300 177.416 -1.116 19872 7324 1 14 . 1 1 73 73 VAL CA C 73 66.200 66.200 66.107 0.093 19872 7325 1 14 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.252 -0.152 19872 7326 1 14 . 1 1 74 74 VAL N N 74 118.100 118.100 120.842 -2.742 19872 7327 1 14 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.594 -0.264 19872 7328 1 14 . 1 1 74 74 VAL C C 74 178.800 178.800 178.010 0.790 19872 7329 1 14 . 1 1 74 74 VAL CA C 74 66.100 66.100 66.716 -0.616 19872 7330 1 14 . 1 1 74 74 VAL CB C 74 31.100 31.100 31.332 -0.232 19872 7331 1 14 . 1 1 75 75 GLN N N 75 119.000 119.000 119.915 -0.915 19872 7332 1 14 . 1 1 75 75 GLN HA H 75 3.910 3.910 3.951 -0.041 19872 7333 1 14 . 1 1 75 75 GLN C C 75 178.500 178.500 178.899 -0.399 19872 7334 1 14 . 1 1 75 75 GLN CA C 75 57.900 57.900 59.357 -1.457 19872 7335 1 14 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.397 -1.297 19872 7336 1 14 . 1 1 76 76 ILE N N 76 120.600 120.600 120.219 0.381 19872 7337 1 14 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.484 -0.164 19872 7338 1 14 . 1 1 76 76 ILE C C 76 177.600 177.600 178.395 -0.795 19872 7339 1 14 . 1 1 76 76 ILE CA C 76 64.700 64.700 65.227 -0.527 19872 7340 1 14 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.678 -0.778 19872 7341 1 14 . 1 1 77 77 LEU N N 77 117.800 117.800 120.330 -2.530 19872 7342 1 14 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.945 -0.215 19872 7343 1 14 . 1 1 77 77 LEU C C 77 178.400 178.400 179.076 -0.676 19872 7344 1 14 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.654 -0.554 19872 7345 1 14 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.494 -2.094 19872 7346 1 14 . 1 1 78 78 ARG N N 78 118.800 118.800 119.334 -0.534 19872 7347 1 14 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.102 -0.022 19872 7348 1 14 . 1 1 78 78 ARG C C 78 180.800 180.800 178.981 1.819 19872 7349 1 14 . 1 1 78 78 ARG CA C 78 58.900 58.900 59.132 -0.232 19872 7350 1 14 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.838 -0.538 19872 7351 1 14 . 1 1 79 79 LEU N N 79 123.200 123.200 119.452 3.748 19872 7352 1 14 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.057 -0.167 19872 7353 1 14 . 1 1 79 79 LEU C C 79 178.200 178.200 178.552 -0.352 19872 7354 1 14 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.219 0.281 19872 7355 1 14 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.924 -0.424 19872 7356 1 14 . 1 1 80 80 HIS N N 80 112.200 112.200 114.030 -1.830 19872 7357 1 14 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.536 -0.436 19872 7358 1 14 . 1 1 80 80 HIS C C 80 176.000 176.000 176.561 -0.561 19872 7359 1 14 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.679 0.321 19872 7360 1 14 . 1 1 80 80 HIS CB C 80 31.700 31.700 30.223 1.477 19872 7361 1 14 . 1 1 81 81 GLY N N 81 111.700 111.700 107.084 4.616 19872 7362 1 14 . 1 1 81 81 GLY C C 81 174.000 174.000 173.695 0.305 19872 7363 1 14 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.697 -0.097 19872 7364 1 14 . 1 1 82 82 VAL N N 82 120.400 120.400 123.248 -2.848 19872 7365 1 14 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.393 -0.583 19872 7366 1 14 . 1 1 82 82 VAL C C 82 174.800 174.800 175.194 -0.394 19872 7367 1 14 . 1 1 82 82 VAL CA C 82 62.200 62.200 62.300 -0.100 19872 7368 1 14 . 1 1 82 82 VAL CB C 82 29.700 29.700 31.681 -1.981 19872 7369 1 14 . 1 1 83 83 ARG N N 83 126.600 126.600 124.581 2.019 19872 7370 1 14 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.302 0.058 19872 7371 1 14 . 1 1 83 83 ARG C C 83 176.000 176.000 175.797 0.203 19872 7372 1 14 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.861 -0.261 19872 7373 1 14 . 1 1 83 83 ARG CB C 83 31.100 31.100 30.977 0.123 19872 7374 1 14 . 1 1 84 84 ASP N N 84 118.400 118.400 120.038 -1.638 19872 7375 1 14 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.484 0.066 19872 7376 1 14 . 1 1 84 84 ASP C C 84 174.200 174.200 175.146 -0.946 19872 7377 1 14 . 1 1 84 84 ASP CA C 84 53.000 53.000 53.512 -0.512 19872 7378 1 14 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.794 -0.794 19872 7379 1 14 . 1 1 85 85 TYR N N 85 116.200 116.200 115.349 0.851 19872 7380 1 14 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.788 -0.038 19872 7381 1 14 . 1 1 85 85 TYR C C 85 173.100 173.100 175.618 -2.518 19872 7382 1 14 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.463 -1.463 19872 7383 1 14 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.857 0.343 19872 7384 1 14 . 1 1 86 86 ALA N N 86 125.000 125.000 123.426 1.574 19872 7385 1 14 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.648 -0.428 19872 7386 1 14 . 1 1 86 86 ALA C C 86 174.300 174.300 175.772 -1.472 19872 7387 1 14 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.716 0.084 19872 7388 1 14 . 1 1 86 86 ALA CB C 86 20.400 20.400 20.328 0.072 19872 7389 1 14 . 1 1 87 87 ALA N N 87 124.400 124.400 129.575 -5.175 19872 7390 1 14 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.595 0.575 19872 7391 1 14 . 1 1 87 87 ALA C C 87 175.400 175.400 175.980 -0.580 19872 7392 1 14 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.894 -1.994 19872 7393 1 14 . 1 1 87 87 ALA CB C 87 21.400 21.400 19.279 2.121 19872 7394 1 14 . 1 1 88 88 TYR N N 88 121.100 121.100 124.473 -3.373 19872 7395 1 14 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.241 0.249 19872 7396 1 14 . 1 1 88 88 TYR C C 88 174.100 174.100 174.694 -0.594 19872 7397 1 14 . 1 1 88 88 TYR CA C 88 56.900 56.900 57.856 -0.956 19872 7398 1 14 . 1 1 88 88 TYR CB C 88 40.200 40.200 38.747 1.453 19872 7399 1 14 . 1 1 89 89 ASN N N 89 122.300 122.300 123.966 -1.666 19872 7400 1 14 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.264 -0.074 19872 7401 1 14 . 1 1 89 89 ASN C C 89 178.000 178.000 176.444 1.556 19872 7402 1 14 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.051 -1.252 19872 7403 1 14 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.840 -0.840 19872 7404 1 14 . 1 1 90 90 VAL N N 90 117.900 117.900 122.197 -4.297 19872 7405 1 14 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.236 -0.056 19872 7406 1 14 . 1 1 90 90 VAL C C 90 176.700 176.700 175.444 1.256 19872 7407 1 14 . 1 1 90 90 VAL CA C 90 62.200 62.200 62.829 -0.629 19872 7408 1 14 . 1 1 90 90 VAL CB C 90 30.500 30.500 30.729 -0.229 19872 7409 1 14 . 1 1 91 91 LEU N N 91 118.900 118.900 120.073 -1.173 19872 7410 1 14 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.248 -0.188 19872 7411 1 14 . 1 1 91 91 LEU C C 91 177.500 177.500 178.686 -1.186 19872 7412 1 14 . 1 1 91 91 LEU CA C 91 56.000 56.000 57.182 -1.182 19872 7413 1 14 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.832 -1.432 19872 7414 1 14 . 1 1 92 92 ASP N N 92 115.500 115.500 118.913 -3.413 19872 7415 1 14 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.533 0.137 19872 7416 1 14 . 1 1 92 92 ASP C C 92 175.500 175.500 176.215 -0.715 19872 7417 1 14 . 1 1 92 92 ASP CA C 92 54.100 54.100 56.028 -1.928 19872 7418 1 14 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.541 -0.541 19872 7419 1 14 . 1 1 93 93 ASP N N 93 115.000 115.000 118.858 -3.858 19872 7420 1 14 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.099 -0.069 19872 7421 1 14 . 1 1 93 93 ASP C C 93 172.800 172.800 175.238 -2.438 19872 7422 1 14 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.715 -1.215 19872 7423 1 14 . 1 1 93 93 ASP CB C 93 41.900 41.900 43.210 -1.310 19872 7424 1 14 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.355 -0.085 19872 7425 1 14 . 1 1 94 94 PRO C C 94 179.300 179.300 178.478 0.822 19872 7426 1 14 . 1 1 94 94 PRO CA C 94 64.100 64.100 65.042 -0.942 19872 7427 1 14 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.348 -0.548 19872 7428 1 14 . 1 1 95 95 GLU N N 95 118.600 118.600 118.864 -0.264 19872 7429 1 14 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.118 -0.078 19872 7430 1 14 . 1 1 95 95 GLU C C 95 179.500 179.500 179.275 0.225 19872 7431 1 14 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.263 -0.663 19872 7432 1 14 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.873 -0.273 19872 7433 1 14 . 1 1 96 96 LEU N N 96 123.800 123.800 120.287 3.513 19872 7434 1 14 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.090 -0.200 19872 7435 1 14 . 1 1 96 96 LEU C C 96 177.200 177.200 178.799 -1.599 19872 7436 1 14 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.428 -0.329 19872 7437 1 14 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.752 -0.452 19872 7438 1 14 . 1 1 97 97 ARG N N 97 117.900 117.900 119.686 -1.786 19872 7439 1 14 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.864 -0.324 19872 7440 1 14 . 1 1 97 97 ARG C C 97 176.400 176.400 178.592 -2.192 19872 7441 1 14 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.217 -0.317 19872 7442 1 14 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.084 0.316 19872 7443 1 14 . 1 1 98 98 GLN N N 98 114.400 114.400 118.081 -3.681 19872 7444 1 14 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.097 -0.277 19872 7445 1 14 . 1 1 98 98 GLN C C 98 177.500 177.500 178.473 -0.973 19872 7446 1 14 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.873 -1.972 19872 7447 1 14 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.556 -0.556 19872 7448 1 14 . 1 1 99 99 GLY N N 99 107.700 107.700 107.889 -0.189 19872 7449 1 14 . 1 1 99 99 GLY C C 99 176.700 176.700 176.243 0.457 19872 7450 1 14 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.243 -0.743 19872 7451 1 14 . 1 1 100 100 ILE N N 100 120.900 120.900 122.171 -1.271 19872 7452 1 14 . 1 1 100 100 ILE HA H 100 3.980 3.980 4.020 -0.040 19872 7453 1 14 . 1 1 100 100 ILE C C 100 176.800 176.800 177.274 -0.474 19872 7454 1 14 . 1 1 100 100 ILE CA C 100 60.500 60.500 60.328 0.172 19872 7455 1 14 . 1 1 100 100 ILE CB C 100 37.500 37.500 38.047 -0.547 19872 7456 1 14 . 1 1 101 101 LYS N N 101 124.600 124.600 121.352 3.248 19872 7457 1 14 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.312 -0.232 19872 7458 1 14 . 1 1 101 101 LYS C C 101 178.900 178.900 178.412 0.488 19872 7459 1 14 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.782 -1.082 19872 7460 1 14 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.246 -0.446 19872 7461 1 14 . 1 1 102 102 ASP N N 102 118.700 118.700 118.434 0.266 19872 7462 1 14 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.472 -0.222 19872 7463 1 14 . 1 1 102 102 ASP C C 102 177.700 177.700 178.936 -1.236 19872 7464 1 14 . 1 1 102 102 ASP CA C 102 56.200 56.200 56.619 -0.419 19872 7465 1 14 . 1 1 102 102 ASP CB C 102 39.700 39.700 40.961 -1.261 19872 7466 1 14 . 1 1 103 103 TYR N N 103 120.300 120.300 121.096 -0.796 19872 7467 1 14 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.209 -0.149 19872 7468 1 14 . 1 1 103 103 TYR C C 103 176.600 176.600 177.244 -0.644 19872 7469 1 14 . 1 1 103 103 TYR CA C 103 60.500 60.500 60.854 -0.354 19872 7470 1 14 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.761 1.139 19872 7471 1 14 . 1 1 104 104 SER N N 104 110.900 110.900 114.095 -3.195 19872 7472 1 14 . 1 1 104 104 SER HA H 104 3.900 3.900 4.531 -0.631 19872 7473 1 14 . 1 1 104 104 SER C C 104 174.600 174.600 174.199 0.401 19872 7474 1 14 . 1 1 104 104 SER CA C 104 57.700 57.700 58.671 -0.971 19872 7475 1 14 . 1 1 104 104 SER CB C 104 63.900 63.900 64.257 -0.357 19872 7476 1 14 . 1 1 105 105 ASN N N 105 117.900 117.900 117.056 0.844 19872 7477 1 14 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.407 -0.207 19872 7478 1 14 . 1 1 105 105 ASN C C 105 173.200 173.200 173.899 -0.699 19872 7479 1 14 . 1 1 105 105 ASN CA C 105 53.800 53.800 54.837 -1.038 19872 7480 1 14 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.102 -0.902 19872 7481 1 14 . 1 1 106 106 TRP N N 106 120.600 120.600 118.173 2.427 19872 7482 1 14 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.077 0.003 19872 7483 1 14 . 1 1 106 106 TRP C C 106 175.400 175.400 174.879 0.521 19872 7484 1 14 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.127 -1.627 19872 7485 1 14 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.292 -0.292 19872 7486 1 14 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.414 -0.244 19872 7487 1 14 . 1 1 107 107 PRO C C 107 175.900 175.900 176.365 -0.465 19872 7488 1 14 . 1 1 107 107 PRO CA C 107 63.700 63.700 64.399 -0.699 19872 7489 1 14 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.387 -0.787 19872 7490 1 14 . 1 1 108 108 THR N N 108 110.500 110.500 112.851 -2.351 19872 7491 1 14 . 1 1 108 108 THR HA H 108 4.300 4.300 4.558 -0.258 19872 7492 1 14 . 1 1 108 108 THR C C 108 171.400 171.400 172.528 -1.128 19872 7493 1 14 . 1 1 108 108 THR CA C 108 60.400 60.400 61.849 -1.448 19872 7494 1 14 . 1 1 108 108 THR CB C 108 70.400 70.400 69.687 0.713 19872 7495 1 14 . 1 1 109 109 ILE N N 109 123.100 123.100 123.082 0.018 19872 7496 1 14 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.599 -0.339 19872 7497 1 14 . 1 1 109 109 ILE C C 109 175.000 175.000 173.381 1.619 19872 7498 1 14 . 1 1 109 109 ILE CA C 109 55.900 55.900 56.940 -1.040 19872 7499 1 14 . 1 1 109 109 ILE CB C 109 40.100 40.100 39.951 0.149 19872 7500 1 14 . 1 1 110 110 PRO HA H 110 5.340 5.340 4.759 0.581 19872 7501 1 14 . 1 1 110 110 PRO C C 110 175.600 175.600 175.774 -0.174 19872 7502 1 14 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.262 -0.762 19872 7503 1 14 . 1 1 110 110 PRO CB C 110 37.500 37.500 32.275 5.225 19872 7504 1 14 . 1 1 111 111 GLN N N 111 114.700 114.700 120.995 -6.295 19872 7505 1 14 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.355 -0.425 19872 7506 1 14 . 1 1 111 111 GLN C C 111 174.100 174.100 174.591 -0.491 19872 7507 1 14 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.731 0.669 19872 7508 1 14 . 1 1 111 111 GLN CB C 111 33.900 33.900 33.810 0.090 19872 7509 1 14 . 1 1 112 112 VAL N N 112 121.000 121.000 119.412 1.588 19872 7510 1 14 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.230 -0.450 19872 7511 1 14 . 1 1 112 112 VAL C C 112 172.300 172.300 173.529 -1.229 19872 7512 1 14 . 1 1 112 112 VAL CA C 112 61.200 61.200 60.239 0.961 19872 7513 1 14 . 1 1 112 112 VAL CB C 112 33.500 33.500 36.197 -2.697 19872 7514 1 14 . 1 1 113 113 TYR N N 113 128.400 128.400 126.009 2.391 19872 7515 1 14 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.248 -0.278 19872 7516 1 14 . 1 1 113 113 TYR C C 113 173.800 173.800 174.528 -0.728 19872 7517 1 14 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.364 0.336 19872 7518 1 14 . 1 1 113 113 TYR CB C 113 41.000 41.000 40.527 0.473 19872 7519 1 14 . 1 1 114 114 LEU N N 114 117.900 117.900 124.412 -6.512 19872 7520 1 14 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.114 0.216 19872 7521 1 14 . 1 1 114 114 LEU C C 114 178.300 178.300 177.591 0.709 19872 7522 1 14 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.869 -1.769 19872 7523 1 14 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.114 0.186 19872 7524 1 14 . 1 1 115 115 ASN N N 115 125.000 125.000 122.769 2.231 19872 7525 1 14 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.421 0.079 19872 7526 1 14 . 1 1 115 115 ASN C C 115 175.500 175.500 175.431 0.069 19872 7527 1 14 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.212 -1.512 19872 7528 1 14 . 1 1 115 115 ASN CB C 115 38.700 38.700 38.183 0.517 19872 7529 1 14 . 1 1 116 116 GLY N N 116 105.000 105.000 102.700 2.300 19872 7530 1 14 . 1 1 116 116 GLY C C 116 172.900 172.900 173.725 -0.825 19872 7531 1 14 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.767 -0.667 19872 7532 1 14 . 1 1 117 117 GLU N N 117 118.900 118.900 120.277 -1.377 19872 7533 1 14 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.880 -0.130 19872 7534 1 14 . 1 1 117 117 GLU C C 117 174.700 174.700 174.899 -0.199 19872 7535 1 14 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.344 -0.344 19872 7536 1 14 . 1 1 117 117 GLU CB C 117 31.600 31.600 32.574 -0.974 19872 7537 1 14 . 1 1 118 118 PHE N N 118 124.400 124.400 125.821 -1.421 19872 7538 1 14 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.319 -1.129 19872 7539 1 14 . 1 1 118 118 PHE C C 118 175.500 175.500 174.746 0.754 19872 7540 1 14 . 1 1 118 118 PHE CA C 118 57.500 57.500 57.797 -0.297 19872 7541 1 14 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.633 -1.533 19872 7542 1 14 . 1 1 119 119 VAL N N 119 126.900 126.900 125.490 1.410 19872 7543 1 14 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.129 -0.419 19872 7544 1 14 . 1 1 119 119 VAL C C 119 174.200 174.200 174.362 -0.162 19872 7545 1 14 . 1 1 119 119 VAL CA C 119 61.900 61.900 62.149 -0.249 19872 7546 1 14 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.795 -2.395 19872 7547 1 14 . 1 1 120 120 GLY N N 120 101.400 101.400 105.830 -4.430 19872 7548 1 14 . 1 1 120 120 GLY CA C 120 44.100 44.100 44.994 -0.894 19872 7549 1 14 . 1 1 121 121 GLY N N 121 106.300 106.300 106.206 0.094 19872 7550 1 14 . 1 1 121 121 GLY C C 121 173.100 173.100 174.920 -1.820 19872 7551 1 14 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.563 -0.363 19872 7552 1 14 . 1 1 122 122 CYS N N 122 119.400 119.400 119.206 0.194 19872 7553 1 14 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.035 -0.375 19872 7554 1 14 . 1 1 122 122 CYS C C 122 174.800 174.800 176.152 -1.352 19872 7555 1 14 . 1 1 122 122 CYS CA C 122 61.800 61.800 62.840 -1.040 19872 7556 1 14 . 1 1 122 122 CYS CB C 122 26.600 26.600 27.464 -0.864 19872 7557 1 14 . 1 1 123 123 ASP N N 123 117.700 117.700 119.570 -1.870 19872 7558 1 14 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.493 -0.253 19872 7559 1 14 . 1 1 123 123 ASP C C 123 179.100 179.100 177.827 1.273 19872 7560 1 14 . 1 1 123 123 ASP CA C 123 57.700 57.700 57.057 0.643 19872 7561 1 14 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.760 -1.560 19872 7562 1 14 . 1 1 124 124 ILE N N 124 120.700 120.700 120.076 0.624 19872 7563 1 14 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.780 -0.060 19872 7564 1 14 . 1 1 124 124 ILE C C 124 177.200 177.200 177.983 -0.783 19872 7565 1 14 . 1 1 124 124 ILE CA C 124 63.100 63.100 63.102 -0.002 19872 7566 1 14 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.340 -0.340 19872 7567 1 14 . 1 1 125 125 LEU N N 125 122.000 122.000 121.995 0.005 19872 7568 1 14 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.992 -0.162 19872 7569 1 14 . 1 1 125 125 LEU C C 125 178.800 178.800 178.499 0.301 19872 7570 1 14 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.440 -1.040 19872 7571 1 14 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.695 -0.895 19872 7572 1 14 . 1 1 126 126 LEU N N 126 118.200 118.200 116.073 2.127 19872 7573 1 14 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.170 -0.210 19872 7574 1 14 . 1 1 126 126 LEU C C 126 179.100 179.100 178.134 0.966 19872 7575 1 14 . 1 1 126 126 LEU CA C 126 57.800 57.800 56.972 0.828 19872 7576 1 14 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.992 -0.192 19872 7577 1 14 . 1 1 127 127 GLN N N 127 119.900 119.900 117.769 2.131 19872 7578 1 14 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.251 -0.281 19872 7579 1 14 . 1 1 127 127 GLN C C 127 178.200 178.200 178.155 0.045 19872 7580 1 14 . 1 1 127 127 GLN CA C 127 59.000 59.000 57.942 1.058 19872 7581 1 14 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.979 -1.079 19872 7582 1 14 . 1 1 128 128 MET N N 128 117.500 117.500 118.784 -1.284 19872 7583 1 14 . 1 1 128 128 MET HA H 128 4.360 4.360 4.127 0.233 19872 7584 1 14 . 1 1 128 128 MET C C 128 179.600 179.600 178.651 0.949 19872 7585 1 14 . 1 1 128 128 MET CA C 128 57.800 57.800 59.018 -1.218 19872 7586 1 14 . 1 1 128 128 MET CB C 128 33.500 33.500 32.483 1.017 19872 7587 1 14 . 1 1 129 129 HIS N N 129 122.300 122.300 119.856 2.444 19872 7588 1 14 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.352 -0.002 19872 7589 1 14 . 1 1 129 129 HIS C C 129 177.000 177.000 177.643 -0.643 19872 7590 1 14 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.003 -0.803 19872 7591 1 14 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.771 1.329 19872 7592 1 14 . 1 1 130 130 GLN N N 130 116.700 116.700 117.092 -0.392 19872 7593 1 14 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.062 -0.302 19872 7594 1 14 . 1 1 130 130 GLN C C 130 177.600 177.600 177.801 -0.201 19872 7595 1 14 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.319 0.481 19872 7596 1 14 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.218 -0.918 19872 7597 1 14 . 1 1 131 131 ASN N N 131 114.200 114.200 117.841 -3.641 19872 7598 1 14 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.604 0.016 19872 7599 1 14 . 1 1 131 131 ASN C C 131 176.600 176.600 176.411 0.189 19872 7600 1 14 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.787 -1.487 19872 7601 1 14 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.307 -1.308 19872 7602 1 14 . 1 1 132 132 GLY N N 132 106.600 106.600 106.147 0.453 19872 7603 1 14 . 1 1 132 132 GLY C C 132 175.300 175.300 174.669 0.631 19872 7604 1 14 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.054 0.146 19872 7605 1 14 . 1 1 133 133 ASP N N 133 122.900 122.900 121.447 1.453 19872 7606 1 14 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.622 -0.252 19872 7607 1 14 . 1 1 133 133 ASP C C 133 178.700 178.700 177.815 0.885 19872 7608 1 14 . 1 1 133 133 ASP CA C 133 56.700 56.700 55.709 0.991 19872 7609 1 14 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.916 -0.916 19872 7610 1 14 . 1 1 134 134 LEU N N 134 118.900 118.900 118.684 0.216 19872 7611 1 14 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.047 -0.267 19872 7612 1 14 . 1 1 134 134 LEU C C 134 177.300 177.300 177.804 -0.504 19872 7613 1 14 . 1 1 134 134 LEU CA C 134 57.300 57.300 56.946 0.354 19872 7614 1 14 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.702 -1.702 19872 7615 1 14 . 1 1 135 135 VAL N N 135 116.600 116.600 118.475 -1.875 19872 7616 1 14 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.708 -0.308 19872 7617 1 14 . 1 1 135 135 VAL C C 135 178.300 178.300 178.091 0.209 19872 7618 1 14 . 1 1 135 135 VAL CA C 135 66.800 66.800 65.463 1.337 19872 7619 1 14 . 1 1 135 135 VAL CB C 135 31.200 31.200 30.893 0.307 19872 7620 1 14 . 1 1 136 136 GLU N N 136 118.600 118.600 119.852 -1.252 19872 7621 1 14 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.012 0.008 19872 7622 1 14 . 1 1 136 136 GLU C C 136 178.800 178.800 179.076 -0.276 19872 7623 1 14 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.275 -1.275 19872 7624 1 14 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.697 -0.197 19872 7625 1 14 . 1 1 137 137 GLU N N 137 119.500 119.500 119.349 0.151 19872 7626 1 14 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.094 -0.204 19872 7627 1 14 . 1 1 137 137 GLU C C 137 179.500 179.500 178.554 0.946 19872 7628 1 14 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.484 -0.484 19872 7629 1 14 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.171 -0.571 19872 7630 1 14 . 1 1 138 138 LEU N N 138 117.400 117.400 119.250 -1.850 19872 7631 1 14 . 1 1 138 138 LEU HA H 138 3.890 3.890 4.053 -0.163 19872 7632 1 14 . 1 1 138 138 LEU C C 138 179.200 179.200 178.813 0.387 19872 7633 1 14 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.362 0.138 19872 7634 1 14 . 1 1 138 138 LEU CB C 138 39.300 39.300 42.069 -2.768 19872 7635 1 14 . 1 1 139 139 LYS N N 139 121.100 121.100 119.205 1.895 19872 7636 1 14 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.044 -0.194 19872 7637 1 14 . 1 1 139 139 LYS C C 139 180.900 180.900 179.513 1.387 19872 7638 1 14 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.553 0.047 19872 7639 1 14 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.361 -0.561 19872 7640 1 14 . 1 1 140 140 LYS N N 140 119.800 119.800 118.798 1.002 19872 7641 1 14 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.169 -0.229 19872 7642 1 14 . 1 1 140 140 LYS C C 140 177.600 177.600 177.217 0.383 19872 7643 1 14 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.623 0.076 19872 7644 1 14 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.249 -0.349 19872 7645 1 14 . 1 1 141 141 LEU N N 141 116.600 116.600 119.372 -2.772 19872 7646 1 14 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.504 -0.184 19872 7647 1 14 . 1 1 141 141 LEU C C 141 176.400 176.400 177.475 -1.075 19872 7648 1 14 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.705 -1.105 19872 7649 1 14 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.396 0.604 19872 7650 1 14 . 1 1 142 142 GLY N N 142 107.200 107.200 108.061 -0.861 19872 7651 1 14 . 1 1 142 142 GLY C C 142 173.900 173.900 174.603 -0.703 19872 7652 1 14 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.735 -0.735 19872 7653 1 14 . 1 1 143 143 ILE N N 143 121.600 121.600 121.362 0.238 19872 7654 1 14 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.084 -0.064 19872 7655 1 14 . 1 1 143 143 ILE C C 143 173.900 173.900 175.581 -1.681 19872 7656 1 14 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.020 -1.020 19872 7657 1 14 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.718 -0.018 19872 7658 1 14 . 1 1 144 144 HIS N N 144 128.000 128.000 126.767 1.233 19872 7659 1 14 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.591 -0.251 19872 7660 1 14 . 1 1 144 144 HIS C C 144 173.800 173.800 174.869 -1.069 19872 7661 1 14 . 1 1 144 144 HIS CA C 144 54.300 54.300 56.050 -1.750 19872 7662 1 14 . 1 1 144 144 HIS CB C 144 28.600 28.600 30.445 -1.845 19872 7663 1 14 . 1 1 145 145 SER N N 145 121.400 121.400 123.353 -1.953 19872 7664 1 14 . 1 1 145 145 SER HA H 145 4.470 4.470 4.540 -0.070 19872 7665 1 14 . 1 1 145 145 SER CA C 145 57.800 57.800 58.248 -0.448 19872 7666 1 14 . 1 1 145 145 SER CB C 145 62.200 62.200 63.889 -1.689 19872 7667 1 14 . 1 1 146 146 ALA N N 146 130.100 130.100 131.128 -1.028 19872 7668 1 14 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.166 0.014 19872 7669 1 14 . 1 1 146 146 ALA C C 146 178.100 178.100 179.250 -1.150 19872 7670 1 14 . 1 1 146 146 ALA CA C 146 52.900 52.900 54.730 -1.830 19872 7671 1 14 . 1 1 146 146 ALA CB C 146 17.700 17.700 18.870 -1.170 19872 7672 1 14 . 1 1 147 147 LEU N N 147 117.800 117.800 117.401 0.399 19872 7673 1 14 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.001 0.059 19872 7674 1 14 . 1 1 147 147 LEU C C 147 177.700 177.700 179.074 -1.374 19872 7675 1 14 . 1 1 147 147 LEU CA C 147 55.100 55.100 56.051 -0.951 19872 7676 1 14 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.065 -0.665 19872 7677 1 14 . 1 1 148 148 LEU N N 148 120.100 120.100 121.223 -1.123 19872 7678 1 14 . 1 1 148 148 LEU HA H 148 4.180 4.180 3.991 0.189 19872 7679 1 14 . 1 1 148 148 LEU C C 148 176.500 176.500 178.239 -1.739 19872 7680 1 14 . 1 1 148 148 LEU CA C 148 54.700 54.700 58.071 -3.371 19872 7681 1 14 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.974 0.026 19872 7682 1 14 . 1 1 149 149 ASP N N 149 121.900 121.900 116.738 5.162 19872 7683 1 14 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.747 -0.147 19872 7684 1 14 . 1 1 149 149 ASP C C 149 174.800 174.800 175.602 -0.802 19872 7685 1 14 . 1 1 149 149 ASP CA C 149 53.900 53.900 54.040 -0.140 19872 7686 1 14 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.192 -0.592 19872 7687 1 15 . 1 1 2 2 SER HA H 2 4.360 4.360 4.278 0.082 19872 7688 1 15 . 1 1 2 2 SER C C 2 173.800 173.800 174.285 -0.485 19872 7689 1 15 . 1 1 2 2 SER CA C 2 58.000 58.000 60.254 -2.254 19872 7690 1 15 . 1 1 2 2 SER CB C 2 63.100 63.100 62.504 0.596 19872 7691 1 15 . 1 1 3 3 PHE N N 3 122.000 122.000 113.465 8.535 19872 7692 1 15 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.168 0.442 19872 7693 1 15 . 1 1 3 3 PHE C C 3 175.300 175.300 176.998 -1.698 19872 7694 1 15 . 1 1 3 3 PHE CA C 3 57.300 57.300 59.601 -2.301 19872 7695 1 15 . 1 1 3 3 PHE CB C 3 39.300 39.300 36.695 2.605 19872 7696 1 15 . 1 1 4 4 THR N N 4 116.900 116.900 110.217 6.683 19872 7697 1 15 . 1 1 4 4 THR HA H 4 4.180 4.180 4.427 -0.247 19872 7698 1 15 . 1 1 4 4 THR C C 4 173.800 173.800 174.867 -1.067 19872 7699 1 15 . 1 1 4 4 THR CA C 4 61.000 61.000 63.344 -2.344 19872 7700 1 15 . 1 1 4 4 THR CB C 4 69.300 69.300 70.028 -0.729 19872 7701 1 15 . 1 1 36 36 ALA N N 36 123.600 123.600 122.098 1.502 19872 7702 1 15 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.095 0.135 19872 7703 1 15 . 1 1 36 36 ALA C C 36 178.100 178.100 176.266 1.834 19872 7704 1 15 . 1 1 36 36 ALA CA C 36 52.000 52.000 52.761 -0.761 19872 7705 1 15 . 1 1 36 36 ALA CB C 36 18.700 18.700 18.836 -0.136 19872 7706 1 15 . 1 1 37 37 GLY N N 37 108.200 108.200 102.977 5.223 19872 7707 1 15 . 1 1 37 37 GLY C C 37 174.500 174.500 172.711 1.789 19872 7708 1 15 . 1 1 37 37 GLY CA C 37 44.800 44.800 45.211 -0.411 19872 7709 1 15 . 1 1 38 38 GLY N N 38 108.200 108.200 105.824 2.376 19872 7710 1 15 . 1 1 38 38 GLY C C 38 174.500 174.500 174.041 0.459 19872 7711 1 15 . 1 1 38 38 GLY CA C 38 44.700 44.700 45.633 -0.933 19872 7712 1 15 . 1 1 39 39 GLY N N 39 108.600 108.600 109.153 -0.553 19872 7713 1 15 . 1 1 39 39 GLY C C 39 174.100 174.100 174.690 -0.590 19872 7714 1 15 . 1 1 39 39 GLY CA C 39 44.800 44.800 44.913 -0.113 19872 7715 1 15 . 1 1 40 40 GLY N N 40 107.700 107.700 111.287 -3.587 19872 7716 1 15 . 1 1 40 40 GLY C C 40 174.100 174.100 174.018 0.082 19872 7717 1 15 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.423 0.277 19872 7718 1 15 . 1 1 41 41 SER N N 41 115.700 115.700 113.674 2.026 19872 7719 1 15 . 1 1 41 41 SER HA H 41 4.220 4.220 4.195 0.025 19872 7720 1 15 . 1 1 41 41 SER C C 41 174.800 174.800 175.443 -0.643 19872 7721 1 15 . 1 1 41 41 SER CA C 41 58.400 58.400 57.939 0.461 19872 7722 1 15 . 1 1 41 41 SER CB C 41 63.100 63.100 63.730 -0.630 19872 7723 1 15 . 1 1 42 42 ALA N N 42 124.700 124.700 123.390 1.310 19872 7724 1 15 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.236 -0.286 19872 7725 1 15 . 1 1 42 42 ALA C C 42 178.800 178.800 179.121 -0.321 19872 7726 1 15 . 1 1 42 42 ALA CA C 42 54.700 54.700 54.993 -0.293 19872 7727 1 15 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.848 -1.148 19872 7728 1 15 . 1 1 43 43 GLU N N 43 116.700 116.700 116.777 -0.077 19872 7729 1 15 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.036 -0.086 19872 7730 1 15 . 1 1 43 43 GLU C C 43 178.800 178.800 177.921 0.879 19872 7731 1 15 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.117 0.383 19872 7732 1 15 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.751 -0.151 19872 7733 1 15 . 1 1 44 44 GLN N N 44 119.400 119.400 120.062 -0.662 19872 7734 1 15 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.150 -0.180 19872 7735 1 15 . 1 1 44 44 GLN C C 44 178.200 178.200 178.005 0.195 19872 7736 1 15 . 1 1 44 44 GLN CA C 44 57.600 57.600 58.171 -0.571 19872 7737 1 15 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.787 -0.687 19872 7738 1 15 . 1 1 45 45 LEU N N 45 121.700 121.700 120.501 1.199 19872 7739 1 15 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.751 -0.181 19872 7740 1 15 . 1 1 45 45 LEU C C 45 177.300 177.300 178.637 -1.337 19872 7741 1 15 . 1 1 45 45 LEU CA C 45 56.500 56.500 58.017 -1.516 19872 7742 1 15 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.353 -0.853 19872 7743 1 15 . 1 1 46 46 ASP N N 46 118.000 118.000 118.881 -0.881 19872 7744 1 15 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.343 -0.313 19872 7745 1 15 . 1 1 46 46 ASP C C 46 176.800 176.800 177.964 -1.164 19872 7746 1 15 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.717 -1.117 19872 7747 1 15 . 1 1 46 46 ASP CB C 46 41.600 41.600 41.075 0.525 19872 7748 1 15 . 1 1 47 47 ALA N N 47 116.100 116.100 122.393 -6.293 19872 7749 1 15 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.250 -0.360 19872 7750 1 15 . 1 1 47 47 ALA C C 47 180.300 180.300 179.344 0.956 19872 7751 1 15 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.555 -0.555 19872 7752 1 15 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.518 -1.118 19872 7753 1 15 . 1 1 48 48 LEU N N 48 117.800 117.800 118.377 -0.577 19872 7754 1 15 . 1 1 48 48 LEU HA H 48 3.840 3.840 4.015 -0.175 19872 7755 1 15 . 1 1 48 48 LEU C C 48 180.100 180.100 179.291 0.809 19872 7756 1 15 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.392 0.008 19872 7757 1 15 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.346 -0.446 19872 7758 1 15 . 1 1 49 49 VAL N N 49 112.100 112.100 113.864 -1.764 19872 7759 1 15 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.866 0.014 19872 7760 1 15 . 1 1 49 49 VAL C C 49 176.000 176.000 177.066 -1.066 19872 7761 1 15 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.109 -0.909 19872 7762 1 15 . 1 1 49 49 VAL CB C 49 31.000 31.000 30.605 0.395 19872 7763 1 15 . 1 1 50 50 LYS N N 50 115.400 115.400 118.576 -3.176 19872 7764 1 15 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.528 -0.368 19872 7765 1 15 . 1 1 50 50 LYS C C 50 177.900 177.900 177.245 0.655 19872 7766 1 15 . 1 1 50 50 LYS CA C 50 56.200 56.200 55.202 0.998 19872 7767 1 15 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.689 0.711 19872 7768 1 15 . 1 1 51 51 LYS N N 51 119.000 119.000 119.343 -0.343 19872 7769 1 15 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.277 -0.357 19872 7770 1 15 . 1 1 51 51 LYS C C 51 174.700 174.700 176.100 -1.400 19872 7771 1 15 . 1 1 51 51 LYS CA C 51 58.000 58.000 57.458 0.542 19872 7772 1 15 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.945 -0.645 19872 7773 1 15 . 1 1 52 52 ASP N N 52 113.400 113.400 116.610 -3.210 19872 7774 1 15 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.832 0.158 19872 7775 1 15 . 1 1 52 52 ASP C C 52 174.400 174.400 174.910 -0.510 19872 7776 1 15 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.525 -0.725 19872 7777 1 15 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.838 1.762 19872 7778 1 15 . 1 1 53 53 LYS N N 53 119.500 119.500 118.137 1.363 19872 7779 1 15 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.443 -0.433 19872 7780 1 15 . 1 1 53 53 LYS C C 53 176.100 176.100 176.486 -0.386 19872 7781 1 15 . 1 1 53 53 LYS CA C 53 59.800 59.800 56.929 2.871 19872 7782 1 15 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.928 -0.328 19872 7783 1 15 . 1 1 54 54 VAL N N 54 117.700 117.700 120.043 -2.343 19872 7784 1 15 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.703 -0.083 19872 7785 1 15 . 1 1 54 54 VAL C C 54 173.700 173.700 174.343 -0.643 19872 7786 1 15 . 1 1 54 54 VAL CA C 54 60.900 60.900 61.734 -0.834 19872 7787 1 15 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.172 0.128 19872 7788 1 15 . 1 1 55 55 VAL N N 55 127.100 127.100 127.485 -0.385 19872 7789 1 15 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.571 0.379 19872 7790 1 15 . 1 1 55 55 VAL C C 55 174.400 174.400 175.202 -0.802 19872 7791 1 15 . 1 1 55 55 VAL CA C 55 60.600 60.600 62.144 -1.544 19872 7792 1 15 . 1 1 55 55 VAL CB C 55 35.200 35.200 32.044 3.156 19872 7793 1 15 . 1 1 56 56 VAL N N 56 119.700 119.700 128.303 -8.603 19872 7794 1 15 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.103 0.337 19872 7795 1 15 . 1 1 56 56 VAL C C 56 173.400 173.400 174.854 -1.454 19872 7796 1 15 . 1 1 56 56 VAL CA C 56 58.000 58.000 61.423 -3.423 19872 7797 1 15 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.348 0.452 19872 7798 1 15 . 1 1 57 57 PHE N N 57 122.400 122.400 124.059 -1.659 19872 7799 1 15 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.311 -0.101 19872 7800 1 15 . 1 1 57 57 PHE C C 57 174.800 174.800 174.094 0.706 19872 7801 1 15 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.365 -0.965 19872 7802 1 15 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.940 -1.240 19872 7803 1 15 . 1 1 58 58 LEU N N 58 120.500 120.500 120.620 -0.120 19872 7804 1 15 . 1 1 58 58 LEU HA H 58 4.700 4.700 5.015 -0.315 19872 7805 1 15 . 1 1 58 58 LEU C C 58 175.500 175.500 175.673 -0.173 19872 7806 1 15 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.710 -0.710 19872 7807 1 15 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.173 -0.073 19872 7808 1 15 . 1 1 59 59 LYS N N 59 117.800 117.800 121.110 -3.310 19872 7809 1 15 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.406 -0.056 19872 7810 1 15 . 1 1 59 59 LYS C C 59 175.200 175.200 176.013 -0.813 19872 7811 1 15 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.444 -0.344 19872 7812 1 15 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.662 0.638 19872 7813 1 15 . 1 1 60 60 GLY N N 60 114.800 114.800 110.046 4.754 19872 7814 1 15 . 1 1 60 60 GLY C C 60 170.300 170.300 172.474 -2.174 19872 7815 1 15 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.763 -1.863 19872 7816 1 15 . 1 1 61 61 THR N N 61 107.800 107.800 111.090 -3.290 19872 7817 1 15 . 1 1 61 61 THR HA H 61 4.740 4.740 5.005 -0.265 19872 7818 1 15 . 1 1 61 61 THR C C 61 173.100 173.100 174.427 -1.327 19872 7819 1 15 . 1 1 61 61 THR CA C 61 57.400 57.400 59.045 -1.645 19872 7820 1 15 . 1 1 61 61 THR CB C 61 68.800 68.800 70.616 -1.816 19872 7821 1 15 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.444 -0.474 19872 7822 1 15 . 1 1 62 62 PRO C C 62 177.200 177.200 176.825 0.375 19872 7823 1 15 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.372 0.528 19872 7824 1 15 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.330 -1.230 19872 7825 1 15 . 1 1 63 63 GLU N N 63 111.900 111.900 114.881 -2.981 19872 7826 1 15 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.358 -0.418 19872 7827 1 15 . 1 1 63 63 GLU C C 63 176.500 176.500 176.710 -0.210 19872 7828 1 15 . 1 1 63 63 GLU CA C 63 58.100 58.100 56.442 1.658 19872 7829 1 15 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.744 -0.544 19872 7830 1 15 . 1 1 64 64 GLN N N 64 117.700 117.700 119.774 -2.074 19872 7831 1 15 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.779 -0.299 19872 7832 1 15 . 1 1 64 64 GLN C C 64 171.500 171.500 173.398 -1.898 19872 7833 1 15 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.472 -0.072 19872 7834 1 15 . 1 1 64 64 GLN CB C 64 29.100 29.100 30.991 -1.891 19872 7835 1 15 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.590 -0.040 19872 7836 1 15 . 1 1 65 65 PRO C C 65 177.900 177.900 177.644 0.256 19872 7837 1 15 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.805 0.195 19872 7838 1 15 . 1 1 65 65 PRO CB C 65 31.700 31.700 31.910 -0.210 19872 7839 1 15 . 1 1 66 66 GLN N N 66 119.700 119.700 124.725 -5.025 19872 7840 1 15 . 1 1 66 66 GLN HA H 66 4.500 4.500 3.921 0.579 19872 7841 1 15 . 1 1 66 66 GLN C C 66 174.400 174.400 176.041 -1.641 19872 7842 1 15 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.881 -3.281 19872 7843 1 15 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.597 0.503 19872 7844 1 15 . 1 1 67 67 CYS N N 67 116.700 116.700 115.452 1.248 19872 7845 1 15 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.584 0.116 19872 7846 1 15 . 1 1 67 67 CYS C C 67 176.500 176.500 174.603 1.897 19872 7847 1 15 . 1 1 67 67 CYS CA C 67 58.700 58.700 57.680 1.020 19872 7848 1 15 . 1 1 67 67 CYS CB C 67 32.800 32.800 28.588 4.212 19872 7849 1 15 . 1 1 68 68 GLY C C 68 176.500 176.500 175.051 1.449 19872 7850 1 15 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.553 0.347 19872 7851 1 15 . 1 1 69 69 PHE N N 69 125.800 125.800 115.559 10.241 19872 7852 1 15 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.033 0.677 19872 7853 1 15 . 1 1 69 69 PHE C C 69 178.300 178.300 176.273 2.027 19872 7854 1 15 . 1 1 69 69 PHE CA C 69 59.900 59.900 59.190 0.710 19872 7855 1 15 . 1 1 69 69 PHE CB C 69 37.900 37.900 37.751 0.150 19872 7856 1 15 . 1 1 70 70 SER N N 70 124.200 124.200 115.711 8.489 19872 7857 1 15 . 1 1 70 70 SER HA H 70 3.980 3.980 4.252 -0.272 19872 7858 1 15 . 1 1 70 70 SER CA C 70 63.800 63.800 61.573 2.227 19872 7859 1 15 . 1 1 70 70 SER CB C 70 62.000 62.000 63.297 -1.297 19872 7860 1 15 . 1 1 71 71 ASN N N 71 118.500 118.500 120.217 -1.717 19872 7861 1 15 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.523 -0.373 19872 7862 1 15 . 1 1 71 71 ASN C C 71 175.800 175.800 176.571 -0.771 19872 7863 1 15 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.376 1.024 19872 7864 1 15 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.137 0.663 19872 7865 1 15 . 1 1 72 72 ALA N N 72 119.900 119.900 122.732 -2.832 19872 7866 1 15 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.019 -0.039 19872 7867 1 15 . 1 1 72 72 ALA C C 72 179.700 179.700 179.477 0.223 19872 7868 1 15 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.729 0.071 19872 7869 1 15 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.097 -0.397 19872 7870 1 15 . 1 1 73 73 VAL N N 73 115.700 115.700 113.768 1.932 19872 7871 1 15 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.607 -0.267 19872 7872 1 15 . 1 1 73 73 VAL C C 73 176.300 176.300 177.385 -1.085 19872 7873 1 15 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.673 0.527 19872 7874 1 15 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.670 -0.570 19872 7875 1 15 . 1 1 74 74 VAL N N 74 118.100 118.100 120.800 -2.700 19872 7876 1 15 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.549 -0.219 19872 7877 1 15 . 1 1 74 74 VAL C C 74 178.800 178.800 178.076 0.724 19872 7878 1 15 . 1 1 74 74 VAL CA C 74 66.100 66.100 66.170 -0.070 19872 7879 1 15 . 1 1 74 74 VAL CB C 74 31.100 31.100 31.405 -0.305 19872 7880 1 15 . 1 1 75 75 GLN N N 75 119.000 119.000 119.681 -0.681 19872 7881 1 15 . 1 1 75 75 GLN HA H 75 3.910 3.910 4.015 -0.105 19872 7882 1 15 . 1 1 75 75 GLN C C 75 178.500 178.500 178.707 -0.207 19872 7883 1 15 . 1 1 75 75 GLN CA C 75 57.900 57.900 59.045 -1.145 19872 7884 1 15 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.301 -1.201 19872 7885 1 15 . 1 1 76 76 ILE N N 76 120.600 120.600 120.328 0.272 19872 7886 1 15 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.517 -0.197 19872 7887 1 15 . 1 1 76 76 ILE C C 76 177.600 177.600 178.228 -0.628 19872 7888 1 15 . 1 1 76 76 ILE CA C 76 64.700 64.700 64.824 -0.124 19872 7889 1 15 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.649 -0.749 19872 7890 1 15 . 1 1 77 77 LEU N N 77 117.800 117.800 119.965 -2.165 19872 7891 1 15 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.969 -0.239 19872 7892 1 15 . 1 1 77 77 LEU C C 77 178.400 178.400 179.100 -0.700 19872 7893 1 15 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.496 -0.396 19872 7894 1 15 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.574 -2.174 19872 7895 1 15 . 1 1 78 78 ARG N N 78 118.800 118.800 119.972 -1.172 19872 7896 1 15 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.258 -0.178 19872 7897 1 15 . 1 1 78 78 ARG C C 78 180.800 180.800 179.387 1.413 19872 7898 1 15 . 1 1 78 78 ARG CA C 78 58.900 58.900 59.091 -0.191 19872 7899 1 15 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.839 -0.539 19872 7900 1 15 . 1 1 79 79 LEU N N 79 123.200 123.200 121.118 2.082 19872 7901 1 15 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.079 -0.189 19872 7902 1 15 . 1 1 79 79 LEU C C 79 178.200 178.200 178.714 -0.514 19872 7903 1 15 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.506 -0.006 19872 7904 1 15 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.856 -0.356 19872 7905 1 15 . 1 1 80 80 HIS N N 80 112.200 112.200 115.238 -3.038 19872 7906 1 15 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.627 -0.527 19872 7907 1 15 . 1 1 80 80 HIS C C 80 176.000 176.000 176.530 -0.530 19872 7908 1 15 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.797 0.203 19872 7909 1 15 . 1 1 80 80 HIS CB C 80 31.700 31.700 30.222 1.478 19872 7910 1 15 . 1 1 81 81 GLY N N 81 111.700 111.700 107.777 3.923 19872 7911 1 15 . 1 1 81 81 GLY C C 81 174.000 174.000 173.780 0.220 19872 7912 1 15 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.367 0.233 19872 7913 1 15 . 1 1 82 82 VAL N N 82 120.400 120.400 121.405 -1.005 19872 7914 1 15 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.495 -0.685 19872 7915 1 15 . 1 1 82 82 VAL C C 82 174.800 174.800 175.269 -0.469 19872 7916 1 15 . 1 1 82 82 VAL CA C 82 62.200 62.200 60.945 1.255 19872 7917 1 15 . 1 1 82 82 VAL CB C 82 29.700 29.700 33.376 -3.675 19872 7918 1 15 . 1 1 83 83 ARG N N 83 126.600 126.600 124.621 1.979 19872 7919 1 15 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.418 -0.058 19872 7920 1 15 . 1 1 83 83 ARG C C 83 176.000 176.000 174.586 1.414 19872 7921 1 15 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.425 0.175 19872 7922 1 15 . 1 1 83 83 ARG CB C 83 31.100 31.100 30.767 0.333 19872 7923 1 15 . 1 1 84 84 ASP N N 84 118.400 118.400 118.825 -0.425 19872 7924 1 15 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.583 -0.033 19872 7925 1 15 . 1 1 84 84 ASP C C 84 174.200 174.200 174.825 -0.625 19872 7926 1 15 . 1 1 84 84 ASP CA C 84 53.000 53.000 53.448 -0.448 19872 7927 1 15 . 1 1 84 84 ASP CB C 84 40.000 40.000 41.650 -1.650 19872 7928 1 15 . 1 1 85 85 TYR N N 85 116.200 116.200 117.927 -1.727 19872 7929 1 15 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.810 -0.060 19872 7930 1 15 . 1 1 85 85 TYR C C 85 173.100 173.100 175.562 -2.462 19872 7931 1 15 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.324 -1.324 19872 7932 1 15 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.745 0.455 19872 7933 1 15 . 1 1 86 86 ALA N N 86 125.000 125.000 123.126 1.874 19872 7934 1 15 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.574 -0.354 19872 7935 1 15 . 1 1 86 86 ALA C C 86 174.300 174.300 175.847 -1.547 19872 7936 1 15 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.776 0.023 19872 7937 1 15 . 1 1 86 86 ALA CB C 86 20.400 20.400 19.721 0.679 19872 7938 1 15 . 1 1 87 87 ALA N N 87 124.400 124.400 130.041 -5.641 19872 7939 1 15 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.554 0.616 19872 7940 1 15 . 1 1 87 87 ALA C C 87 175.400 175.400 176.126 -0.726 19872 7941 1 15 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.885 -1.985 19872 7942 1 15 . 1 1 87 87 ALA CB C 87 21.400 21.400 18.849 2.551 19872 7943 1 15 . 1 1 88 88 TYR N N 88 121.100 121.100 124.449 -3.349 19872 7944 1 15 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.186 0.304 19872 7945 1 15 . 1 1 88 88 TYR C C 88 174.100 174.100 174.830 -0.730 19872 7946 1 15 . 1 1 88 88 TYR CA C 88 56.900 56.900 58.185 -1.285 19872 7947 1 15 . 1 1 88 88 TYR CB C 88 40.200 40.200 38.451 1.749 19872 7948 1 15 . 1 1 89 89 ASN N N 89 122.300 122.300 124.035 -1.735 19872 7949 1 15 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.183 0.007 19872 7950 1 15 . 1 1 89 89 ASN C C 89 178.000 178.000 176.726 1.274 19872 7951 1 15 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.502 -1.702 19872 7952 1 15 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.669 -0.669 19872 7953 1 15 . 1 1 90 90 VAL N N 90 117.900 117.900 121.990 -4.090 19872 7954 1 15 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.205 -0.025 19872 7955 1 15 . 1 1 90 90 VAL C C 90 176.700 176.700 175.454 1.246 19872 7956 1 15 . 1 1 90 90 VAL CA C 90 62.200 62.200 63.262 -1.062 19872 7957 1 15 . 1 1 90 90 VAL CB C 90 30.500 30.500 30.830 -0.330 19872 7958 1 15 . 1 1 91 91 LEU N N 91 118.900 118.900 119.219 -0.319 19872 7959 1 15 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.338 -0.278 19872 7960 1 15 . 1 1 91 91 LEU C C 91 177.500 177.500 178.320 -0.820 19872 7961 1 15 . 1 1 91 91 LEU CA C 91 56.000 56.000 56.395 -0.395 19872 7962 1 15 . 1 1 91 91 LEU CB C 91 40.400 40.400 42.012 -1.612 19872 7963 1 15 . 1 1 92 92 ASP N N 92 115.500 115.500 119.989 -4.489 19872 7964 1 15 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.525 0.145 19872 7965 1 15 . 1 1 92 92 ASP C C 92 175.500 175.500 176.045 -0.545 19872 7966 1 15 . 1 1 92 92 ASP CA C 92 54.100 54.100 56.283 -2.183 19872 7967 1 15 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.754 -0.754 19872 7968 1 15 . 1 1 93 93 ASP N N 93 115.000 115.000 117.095 -2.095 19872 7969 1 15 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.093 -0.063 19872 7970 1 15 . 1 1 93 93 ASP C C 93 172.800 172.800 174.963 -2.163 19872 7971 1 15 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.536 -1.036 19872 7972 1 15 . 1 1 93 93 ASP CB C 93 41.900 41.900 42.752 -0.852 19872 7973 1 15 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.393 -0.123 19872 7974 1 15 . 1 1 94 94 PRO C C 94 179.300 179.300 177.902 1.398 19872 7975 1 15 . 1 1 94 94 PRO CA C 94 64.100 64.100 64.973 -0.873 19872 7976 1 15 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.365 -0.565 19872 7977 1 15 . 1 1 95 95 GLU N N 95 118.600 118.600 118.320 0.280 19872 7978 1 15 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.162 -0.122 19872 7979 1 15 . 1 1 95 95 GLU C C 95 179.500 179.500 179.043 0.457 19872 7980 1 15 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.263 -0.663 19872 7981 1 15 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.701 -0.101 19872 7982 1 15 . 1 1 96 96 LEU N N 96 123.800 123.800 120.516 3.284 19872 7983 1 15 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.075 -0.185 19872 7984 1 15 . 1 1 96 96 LEU C C 96 177.200 177.200 178.968 -1.768 19872 7985 1 15 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.386 -0.286 19872 7986 1 15 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.840 -0.541 19872 7987 1 15 . 1 1 97 97 ARG N N 97 117.900 117.900 119.467 -1.567 19872 7988 1 15 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.937 -0.397 19872 7989 1 15 . 1 1 97 97 ARG C C 97 176.400 176.400 178.522 -2.122 19872 7990 1 15 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.027 -0.127 19872 7991 1 15 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.043 0.357 19872 7992 1 15 . 1 1 98 98 GLN N N 98 114.400 114.400 118.161 -3.761 19872 7993 1 15 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.141 -0.321 19872 7994 1 15 . 1 1 98 98 GLN C C 98 177.500 177.500 178.355 -0.855 19872 7995 1 15 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.981 -2.081 19872 7996 1 15 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.584 -0.584 19872 7997 1 15 . 1 1 99 99 GLY N N 99 107.700 107.700 108.644 -0.944 19872 7998 1 15 . 1 1 99 99 GLY C C 99 176.700 176.700 176.203 0.497 19872 7999 1 15 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.388 -0.888 19872 8000 1 15 . 1 1 100 100 ILE N N 100 120.900 120.900 122.299 -1.399 19872 8001 1 15 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.906 0.074 19872 8002 1 15 . 1 1 100 100 ILE C C 100 176.800 176.800 177.553 -0.753 19872 8003 1 15 . 1 1 100 100 ILE CA C 100 60.500 60.500 60.943 -0.443 19872 8004 1 15 . 1 1 100 100 ILE CB C 100 37.500 37.500 37.861 -0.360 19872 8005 1 15 . 1 1 101 101 LYS N N 101 124.600 124.600 121.301 3.299 19872 8006 1 15 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.267 -0.187 19872 8007 1 15 . 1 1 101 101 LYS C C 101 178.900 178.900 178.392 0.508 19872 8008 1 15 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.803 -1.103 19872 8009 1 15 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.170 -0.370 19872 8010 1 15 . 1 1 102 102 ASP N N 102 118.700 118.700 118.649 0.051 19872 8011 1 15 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.440 -0.190 19872 8012 1 15 . 1 1 102 102 ASP C C 102 177.700 177.700 178.643 -0.943 19872 8013 1 15 . 1 1 102 102 ASP CA C 102 56.200 56.200 57.037 -0.837 19872 8014 1 15 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.331 -1.631 19872 8015 1 15 . 1 1 103 103 TYR N N 103 120.300 120.300 122.046 -1.746 19872 8016 1 15 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.225 -0.165 19872 8017 1 15 . 1 1 103 103 TYR C C 103 176.600 176.600 177.309 -0.709 19872 8018 1 15 . 1 1 103 103 TYR CA C 103 60.500 60.500 60.711 -0.211 19872 8019 1 15 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.824 1.076 19872 8020 1 15 . 1 1 104 104 SER N N 104 110.900 110.900 113.838 -2.938 19872 8021 1 15 . 1 1 104 104 SER HA H 104 3.900 3.900 4.259 -0.359 19872 8022 1 15 . 1 1 104 104 SER C C 104 174.600 174.600 174.863 -0.263 19872 8023 1 15 . 1 1 104 104 SER CA C 104 57.700 57.700 58.143 -0.443 19872 8024 1 15 . 1 1 104 104 SER CB C 104 63.900 63.900 64.360 -0.460 19872 8025 1 15 . 1 1 105 105 ASN N N 105 117.900 117.900 117.649 0.251 19872 8026 1 15 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.319 -0.119 19872 8027 1 15 . 1 1 105 105 ASN C C 105 173.200 173.200 173.829 -0.629 19872 8028 1 15 . 1 1 105 105 ASN CA C 105 53.800 53.800 55.256 -1.456 19872 8029 1 15 . 1 1 105 105 ASN CB C 105 37.200 37.200 37.846 -0.646 19872 8030 1 15 . 1 1 106 106 TRP N N 106 120.600 120.600 118.676 1.924 19872 8031 1 15 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.026 0.054 19872 8032 1 15 . 1 1 106 106 TRP C C 106 175.400 175.400 175.033 0.367 19872 8033 1 15 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.145 -1.645 19872 8034 1 15 . 1 1 106 106 TRP CB C 106 31.000 31.000 30.690 0.310 19872 8035 1 15 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.189 -0.019 19872 8036 1 15 . 1 1 107 107 PRO C C 107 175.900 175.900 175.859 0.041 19872 8037 1 15 . 1 1 107 107 PRO CA C 107 63.700 63.700 64.993 -1.293 19872 8038 1 15 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.103 -0.503 19872 8039 1 15 . 1 1 108 108 THR N N 108 110.500 110.500 110.105 0.395 19872 8040 1 15 . 1 1 108 108 THR HA H 108 4.300 4.300 4.487 -0.187 19872 8041 1 15 . 1 1 108 108 THR C C 108 171.400 171.400 172.535 -1.135 19872 8042 1 15 . 1 1 108 108 THR CA C 108 60.400 60.400 61.667 -1.267 19872 8043 1 15 . 1 1 108 108 THR CB C 108 70.400 70.400 69.870 0.530 19872 8044 1 15 . 1 1 109 109 ILE N N 109 123.100 123.100 126.638 -3.538 19872 8045 1 15 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.570 -0.310 19872 8046 1 15 . 1 1 109 109 ILE C C 109 175.000 175.000 173.695 1.305 19872 8047 1 15 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.552 -1.652 19872 8048 1 15 . 1 1 109 109 ILE CB C 109 40.100 40.100 41.407 -1.307 19872 8049 1 15 . 1 1 110 110 PRO HA H 110 5.340 5.340 5.104 0.236 19872 8050 1 15 . 1 1 110 110 PRO C C 110 175.600 175.600 175.370 0.230 19872 8051 1 15 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.418 -0.918 19872 8052 1 15 . 1 1 110 110 PRO CB C 110 37.500 37.500 33.570 3.930 19872 8053 1 15 . 1 1 111 111 GLN N N 111 114.700 114.700 117.839 -3.139 19872 8054 1 15 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.182 -0.252 19872 8055 1 15 . 1 1 111 111 GLN C C 111 174.100 174.100 173.457 0.643 19872 8056 1 15 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.727 0.673 19872 8057 1 15 . 1 1 111 111 GLN CB C 111 33.900 33.900 33.190 0.710 19872 8058 1 15 . 1 1 112 112 VAL N N 112 121.000 121.000 119.317 1.683 19872 8059 1 15 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.359 -0.579 19872 8060 1 15 . 1 1 112 112 VAL C C 112 172.300 172.300 173.468 -1.168 19872 8061 1 15 . 1 1 112 112 VAL CA C 112 61.200 61.200 60.468 0.732 19872 8062 1 15 . 1 1 112 112 VAL CB C 112 33.500 33.500 36.368 -2.868 19872 8063 1 15 . 1 1 113 113 TYR N N 113 128.400 128.400 126.113 2.287 19872 8064 1 15 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.370 -0.400 19872 8065 1 15 . 1 1 113 113 TYR C C 113 173.800 173.800 174.515 -0.715 19872 8066 1 15 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.448 0.252 19872 8067 1 15 . 1 1 113 113 TYR CB C 113 41.000 41.000 41.036 -0.036 19872 8068 1 15 . 1 1 114 114 LEU N N 114 117.900 117.900 123.757 -5.857 19872 8069 1 15 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.238 0.092 19872 8070 1 15 . 1 1 114 114 LEU C C 114 178.300 178.300 177.502 0.798 19872 8071 1 15 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.743 -1.643 19872 8072 1 15 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.633 -0.333 19872 8073 1 15 . 1 1 115 115 ASN N N 115 125.000 125.000 123.209 1.791 19872 8074 1 15 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.401 0.099 19872 8075 1 15 . 1 1 115 115 ASN C C 115 175.500 175.500 175.479 0.021 19872 8076 1 15 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.215 -1.514 19872 8077 1 15 . 1 1 115 115 ASN CB C 115 38.700 38.700 38.088 0.612 19872 8078 1 15 . 1 1 116 116 GLY N N 116 105.000 105.000 102.658 2.342 19872 8079 1 15 . 1 1 116 116 GLY C C 116 172.900 172.900 173.800 -0.900 19872 8080 1 15 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.710 -0.610 19872 8081 1 15 . 1 1 117 117 GLU N N 117 118.900 118.900 120.918 -2.018 19872 8082 1 15 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.760 -0.010 19872 8083 1 15 . 1 1 117 117 GLU C C 117 174.700 174.700 175.302 -0.602 19872 8084 1 15 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.575 -0.575 19872 8085 1 15 . 1 1 117 117 GLU CB C 117 31.600 31.600 32.100 -0.500 19872 8086 1 15 . 1 1 118 118 PHE N N 118 124.400 124.400 125.506 -1.106 19872 8087 1 15 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.037 -0.847 19872 8088 1 15 . 1 1 118 118 PHE C C 118 175.500 175.500 174.686 0.814 19872 8089 1 15 . 1 1 118 118 PHE CA C 118 57.500 57.500 59.074 -1.574 19872 8090 1 15 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.422 -1.322 19872 8091 1 15 . 1 1 119 119 VAL N N 119 126.900 126.900 125.648 1.252 19872 8092 1 15 . 1 1 119 119 VAL HA H 119 3.710 3.710 3.982 -0.272 19872 8093 1 15 . 1 1 119 119 VAL C C 119 174.200 174.200 174.374 -0.174 19872 8094 1 15 . 1 1 119 119 VAL CA C 119 61.900 61.900 61.972 -0.072 19872 8095 1 15 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.564 -2.164 19872 8096 1 15 . 1 1 120 120 GLY N N 120 101.400 101.400 105.610 -4.210 19872 8097 1 15 . 1 1 120 120 GLY CA C 120 44.100 44.100 44.792 -0.692 19872 8098 1 15 . 1 1 121 121 GLY N N 121 106.300 106.300 106.307 -0.007 19872 8099 1 15 . 1 1 121 121 GLY C C 121 173.100 173.100 175.145 -2.045 19872 8100 1 15 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.833 -0.632 19872 8101 1 15 . 1 1 122 122 CYS N N 122 119.400 119.400 119.515 -0.115 19872 8102 1 15 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.073 -0.413 19872 8103 1 15 . 1 1 122 122 CYS C C 122 174.800 174.800 176.051 -1.251 19872 8104 1 15 . 1 1 122 122 CYS CA C 122 61.800 61.800 62.019 -0.219 19872 8105 1 15 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.699 -0.099 19872 8106 1 15 . 1 1 123 123 ASP N N 123 117.700 117.700 118.558 -0.858 19872 8107 1 15 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.544 -0.304 19872 8108 1 15 . 1 1 123 123 ASP C C 123 179.100 179.100 177.552 1.548 19872 8109 1 15 . 1 1 123 123 ASP CA C 123 57.700 57.700 56.378 1.322 19872 8110 1 15 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.943 -1.743 19872 8111 1 15 . 1 1 124 124 ILE N N 124 120.700 120.700 119.765 0.935 19872 8112 1 15 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.955 -0.235 19872 8113 1 15 . 1 1 124 124 ILE C C 124 177.200 177.200 177.685 -0.485 19872 8114 1 15 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.298 0.802 19872 8115 1 15 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.910 -0.910 19872 8116 1 15 . 1 1 125 125 LEU N N 125 122.000 122.000 122.172 -0.172 19872 8117 1 15 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.934 -0.104 19872 8118 1 15 . 1 1 125 125 LEU C C 125 178.800 178.800 178.293 0.507 19872 8119 1 15 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.362 -0.962 19872 8120 1 15 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.599 -0.799 19872 8121 1 15 . 1 1 126 126 LEU N N 126 118.200 118.200 118.194 0.006 19872 8122 1 15 . 1 1 126 126 LEU HA H 126 3.960 3.960 3.898 0.062 19872 8123 1 15 . 1 1 126 126 LEU C C 126 179.100 179.100 178.730 0.370 19872 8124 1 15 . 1 1 126 126 LEU CA C 126 57.800 57.800 58.177 -0.377 19872 8125 1 15 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.725 0.075 19872 8126 1 15 . 1 1 127 127 GLN N N 127 119.900 119.900 117.518 2.382 19872 8127 1 15 . 1 1 127 127 GLN HA H 127 3.970 3.970 3.988 -0.018 19872 8128 1 15 . 1 1 127 127 GLN C C 127 178.200 178.200 178.949 -0.749 19872 8129 1 15 . 1 1 127 127 GLN CA C 127 59.000 59.000 58.536 0.464 19872 8130 1 15 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.286 -0.386 19872 8131 1 15 . 1 1 128 128 MET N N 128 117.500 117.500 117.562 -0.062 19872 8132 1 15 . 1 1 128 128 MET HA H 128 4.360 4.360 4.190 0.170 19872 8133 1 15 . 1 1 128 128 MET C C 128 179.600 179.600 178.580 1.020 19872 8134 1 15 . 1 1 128 128 MET CA C 128 57.800 57.800 58.535 -0.735 19872 8135 1 15 . 1 1 128 128 MET CB C 128 33.500 33.500 32.476 1.024 19872 8136 1 15 . 1 1 129 129 HIS N N 129 122.300 122.300 120.509 1.791 19872 8137 1 15 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.341 0.009 19872 8138 1 15 . 1 1 129 129 HIS C C 129 177.000 177.000 177.727 -0.727 19872 8139 1 15 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.019 -0.819 19872 8140 1 15 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.831 1.269 19872 8141 1 15 . 1 1 130 130 GLN N N 130 116.700 116.700 116.851 -0.151 19872 8142 1 15 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.093 -0.333 19872 8143 1 15 . 1 1 130 130 GLN C C 130 177.600 177.600 177.514 0.086 19872 8144 1 15 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.333 0.467 19872 8145 1 15 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.118 -0.818 19872 8146 1 15 . 1 1 131 131 ASN N N 131 114.200 114.200 117.786 -3.586 19872 8147 1 15 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.637 -0.017 19872 8148 1 15 . 1 1 131 131 ASN C C 131 176.600 176.600 176.222 0.378 19872 8149 1 15 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.390 -1.090 19872 8150 1 15 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.393 -1.393 19872 8151 1 15 . 1 1 132 132 GLY N N 132 106.600 106.600 106.598 0.002 19872 8152 1 15 . 1 1 132 132 GLY C C 132 175.300 175.300 174.927 0.373 19872 8153 1 15 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.250 -0.050 19872 8154 1 15 . 1 1 133 133 ASP N N 133 122.900 122.900 121.489 1.411 19872 8155 1 15 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.631 -0.261 19872 8156 1 15 . 1 1 133 133 ASP C C 133 178.700 178.700 177.568 1.132 19872 8157 1 15 . 1 1 133 133 ASP CA C 133 56.700 56.700 55.541 1.159 19872 8158 1 15 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.605 -0.605 19872 8159 1 15 . 1 1 134 134 LEU N N 134 118.900 118.900 119.127 -0.227 19872 8160 1 15 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.096 -0.316 19872 8161 1 15 . 1 1 134 134 LEU C C 134 177.300 177.300 177.719 -0.419 19872 8162 1 15 . 1 1 134 134 LEU CA C 134 57.300 57.300 56.938 0.362 19872 8163 1 15 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.675 -1.675 19872 8164 1 15 . 1 1 135 135 VAL N N 135 116.600 116.600 118.889 -2.289 19872 8165 1 15 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.697 -0.297 19872 8166 1 15 . 1 1 135 135 VAL C C 135 178.300 178.300 177.642 0.658 19872 8167 1 15 . 1 1 135 135 VAL CA C 135 66.800 66.800 65.017 1.783 19872 8168 1 15 . 1 1 135 135 VAL CB C 135 31.200 31.200 30.807 0.393 19872 8169 1 15 . 1 1 136 136 GLU N N 136 118.600 118.600 121.006 -2.406 19872 8170 1 15 . 1 1 136 136 GLU HA H 136 4.020 4.020 3.826 0.194 19872 8171 1 15 . 1 1 136 136 GLU C C 136 178.800 178.800 178.560 0.240 19872 8172 1 15 . 1 1 136 136 GLU CA C 136 58.000 58.000 60.145 -2.144 19872 8173 1 15 . 1 1 136 136 GLU CB C 136 28.500 28.500 29.146 -0.646 19872 8174 1 15 . 1 1 137 137 GLU N N 137 119.500 119.500 119.385 0.115 19872 8175 1 15 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.067 -0.177 19872 8176 1 15 . 1 1 137 137 GLU C C 137 179.500 179.500 178.981 0.519 19872 8177 1 15 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.828 -0.828 19872 8178 1 15 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.460 -0.860 19872 8179 1 15 . 1 1 138 138 LEU N N 138 117.400 117.400 120.036 -2.636 19872 8180 1 15 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.912 -0.022 19872 8181 1 15 . 1 1 138 138 LEU C C 138 179.200 179.200 179.059 0.141 19872 8182 1 15 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.862 -0.362 19872 8183 1 15 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.764 -2.463 19872 8184 1 15 . 1 1 139 139 LYS N N 139 121.100 121.100 118.766 2.334 19872 8185 1 15 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.109 -0.259 19872 8186 1 15 . 1 1 139 139 LYS C C 139 180.900 180.900 179.827 1.073 19872 8187 1 15 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.218 0.382 19872 8188 1 15 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.170 -0.370 19872 8189 1 15 . 1 1 140 140 LYS N N 140 119.800 119.800 121.054 -1.254 19872 8190 1 15 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.066 -0.126 19872 8191 1 15 . 1 1 140 140 LYS C C 140 177.600 177.600 178.289 -0.689 19872 8192 1 15 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.901 -0.201 19872 8193 1 15 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.228 -0.329 19872 8194 1 15 . 1 1 141 141 LEU N N 141 116.600 116.600 117.942 -1.342 19872 8195 1 15 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.266 0.054 19872 8196 1 15 . 1 1 141 141 LEU C C 141 176.400 176.400 177.649 -1.249 19872 8197 1 15 . 1 1 141 141 LEU CA C 141 53.600 53.600 55.111 -1.511 19872 8198 1 15 . 1 1 141 141 LEU CB C 141 42.000 42.000 42.129 -0.129 19872 8199 1 15 . 1 1 142 142 GLY N N 142 107.200 107.200 107.184 0.016 19872 8200 1 15 . 1 1 142 142 GLY C C 142 173.900 173.900 174.912 -1.012 19872 8201 1 15 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.714 -0.714 19872 8202 1 15 . 1 1 143 143 ILE N N 143 121.600 121.600 120.713 0.887 19872 8203 1 15 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.034 -0.014 19872 8204 1 15 . 1 1 143 143 ILE C C 143 173.900 173.900 175.732 -1.832 19872 8205 1 15 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.429 -1.429 19872 8206 1 15 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.764 -0.064 19872 8207 1 15 . 1 1 144 144 HIS N N 144 128.000 128.000 126.332 1.668 19872 8208 1 15 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.611 -0.271 19872 8209 1 15 . 1 1 144 144 HIS C C 144 173.800 173.800 174.490 -0.690 19872 8210 1 15 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.411 -1.111 19872 8211 1 15 . 1 1 144 144 HIS CB C 144 28.600 28.600 30.016 -1.416 19872 8212 1 15 . 1 1 145 145 SER N N 145 121.400 121.400 123.302 -1.902 19872 8213 1 15 . 1 1 145 145 SER HA H 145 4.470 4.470 4.572 -0.102 19872 8214 1 15 . 1 1 145 145 SER CA C 145 57.800 57.800 58.451 -0.651 19872 8215 1 15 . 1 1 145 145 SER CB C 145 62.200 62.200 64.281 -2.081 19872 8216 1 15 . 1 1 146 146 ALA N N 146 130.100 130.100 130.339 -0.239 19872 8217 1 15 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.360 -0.180 19872 8218 1 15 . 1 1 146 146 ALA C C 146 178.100 178.100 178.682 -0.582 19872 8219 1 15 . 1 1 146 146 ALA CA C 146 52.900 52.900 54.012 -1.112 19872 8220 1 15 . 1 1 146 146 ALA CB C 146 17.700 17.700 19.012 -1.312 19872 8221 1 15 . 1 1 147 147 LEU N N 147 117.800 117.800 117.836 -0.036 19872 8222 1 15 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.221 -0.161 19872 8223 1 15 . 1 1 147 147 LEU C C 147 177.700 177.700 178.136 -0.436 19872 8224 1 15 . 1 1 147 147 LEU CA C 147 55.100 55.100 55.069 0.031 19872 8225 1 15 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.247 -0.847 19872 8226 1 15 . 1 1 148 148 LEU N N 148 120.100 120.100 120.773 -0.673 19872 8227 1 15 . 1 1 148 148 LEU HA H 148 4.180 4.180 3.944 0.236 19872 8228 1 15 . 1 1 148 148 LEU C C 148 176.500 176.500 177.759 -1.259 19872 8229 1 15 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.657 -2.957 19872 8230 1 15 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.938 0.062 19872 8231 1 15 . 1 1 149 149 ASP N N 149 121.900 121.900 117.658 4.242 19872 8232 1 15 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.729 -0.129 19872 8233 1 15 . 1 1 149 149 ASP C C 149 174.800 174.800 176.169 -1.369 19872 8234 1 15 . 1 1 149 149 ASP CA C 149 53.900 53.900 53.650 0.250 19872 8235 1 15 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.156 -0.556 19872 8236 1 16 . 1 1 2 2 SER HA H 2 4.360 4.360 4.216 0.144 19872 8237 1 16 . 1 1 2 2 SER C C 2 173.800 173.800 173.341 0.459 19872 8238 1 16 . 1 1 2 2 SER CA C 2 58.000 58.000 58.050 -0.050 19872 8239 1 16 . 1 1 2 2 SER CB C 2 63.100 63.100 63.366 -0.266 19872 8240 1 16 . 1 1 3 3 PHE N N 3 122.000 122.000 122.387 -0.387 19872 8241 1 16 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.774 -0.164 19872 8242 1 16 . 1 1 3 3 PHE C C 3 175.300 175.300 175.149 0.151 19872 8243 1 16 . 1 1 3 3 PHE CA C 3 57.300 57.300 57.086 0.214 19872 8244 1 16 . 1 1 3 3 PHE CB C 3 39.300 39.300 39.184 0.116 19872 8245 1 16 . 1 1 4 4 THR N N 4 116.900 116.900 113.736 3.164 19872 8246 1 16 . 1 1 4 4 THR HA H 4 4.180 4.180 4.689 -0.509 19872 8247 1 16 . 1 1 4 4 THR C C 4 173.800 173.800 174.684 -0.884 19872 8248 1 16 . 1 1 4 4 THR CA C 4 61.000 61.000 61.108 -0.108 19872 8249 1 16 . 1 1 4 4 THR CB C 4 69.300 69.300 71.419 -2.119 19872 8250 1 16 . 1 1 36 36 ALA N N 36 123.600 123.600 123.137 0.463 19872 8251 1 16 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.594 -0.364 19872 8252 1 16 . 1 1 36 36 ALA C C 36 178.100 178.100 177.744 0.356 19872 8253 1 16 . 1 1 36 36 ALA CA C 36 52.000 52.000 51.631 0.369 19872 8254 1 16 . 1 1 36 36 ALA CB C 36 18.700 18.700 19.811 -1.111 19872 8255 1 16 . 1 1 37 37 GLY N N 37 108.200 108.200 108.576 -0.376 19872 8256 1 16 . 1 1 37 37 GLY C C 37 174.500 174.500 175.315 -0.815 19872 8257 1 16 . 1 1 37 37 GLY CA C 37 44.800 44.800 44.739 0.062 19872 8258 1 16 . 1 1 38 38 GLY N N 38 108.200 108.200 108.187 0.013 19872 8259 1 16 . 1 1 38 38 GLY C C 38 174.500 174.500 175.151 -0.651 19872 8260 1 16 . 1 1 38 38 GLY CA C 38 44.700 44.700 44.559 0.141 19872 8261 1 16 . 1 1 39 39 GLY N N 39 108.600 108.600 108.909 -0.309 19872 8262 1 16 . 1 1 39 39 GLY C C 39 174.100 174.100 174.050 0.050 19872 8263 1 16 . 1 1 39 39 GLY CA C 39 44.800 44.800 45.049 -0.249 19872 8264 1 16 . 1 1 40 40 GLY N N 40 107.700 107.700 108.782 -1.082 19872 8265 1 16 . 1 1 40 40 GLY C C 40 174.100 174.100 174.186 -0.086 19872 8266 1 16 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.076 0.624 19872 8267 1 16 . 1 1 41 41 SER N N 41 115.700 115.700 113.121 2.579 19872 8268 1 16 . 1 1 41 41 SER HA H 41 4.220 4.220 4.252 -0.032 19872 8269 1 16 . 1 1 41 41 SER C C 41 174.800 174.800 175.629 -0.829 19872 8270 1 16 . 1 1 41 41 SER CA C 41 58.400 58.400 57.999 0.401 19872 8271 1 16 . 1 1 41 41 SER CB C 41 63.100 63.100 63.442 -0.342 19872 8272 1 16 . 1 1 42 42 ALA N N 42 124.700 124.700 124.155 0.545 19872 8273 1 16 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.184 -0.234 19872 8274 1 16 . 1 1 42 42 ALA C C 42 178.800 178.800 178.768 0.032 19872 8275 1 16 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.154 -0.454 19872 8276 1 16 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.904 -1.204 19872 8277 1 16 . 1 1 43 43 GLU N N 43 116.700 116.700 116.572 0.128 19872 8278 1 16 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.042 -0.092 19872 8279 1 16 . 1 1 43 43 GLU C C 43 178.800 178.800 178.326 0.474 19872 8280 1 16 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.390 0.110 19872 8281 1 16 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.770 -0.170 19872 8282 1 16 . 1 1 44 44 GLN N N 44 119.400 119.400 120.756 -1.356 19872 8283 1 16 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.168 -0.198 19872 8284 1 16 . 1 1 44 44 GLN C C 44 178.200 178.200 178.156 0.044 19872 8285 1 16 . 1 1 44 44 GLN CA C 44 57.600 57.600 58.041 -0.441 19872 8286 1 16 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.451 -0.351 19872 8287 1 16 . 1 1 45 45 LEU N N 45 121.700 121.700 120.376 1.324 19872 8288 1 16 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.701 -0.131 19872 8289 1 16 . 1 1 45 45 LEU C C 45 177.300 177.300 178.794 -1.494 19872 8290 1 16 . 1 1 45 45 LEU CA C 45 56.500 56.500 57.691 -1.190 19872 8291 1 16 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.450 -0.950 19872 8292 1 16 . 1 1 46 46 ASP N N 46 118.000 118.000 119.510 -1.510 19872 8293 1 16 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.286 -0.256 19872 8294 1 16 . 1 1 46 46 ASP C C 46 176.800 176.800 177.900 -1.100 19872 8295 1 16 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.466 -0.866 19872 8296 1 16 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.786 0.814 19872 8297 1 16 . 1 1 47 47 ALA N N 47 116.100 116.100 120.983 -4.883 19872 8298 1 16 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.144 -0.254 19872 8299 1 16 . 1 1 47 47 ALA C C 47 180.300 180.300 179.065 1.235 19872 8300 1 16 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.407 -0.407 19872 8301 1 16 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.349 -0.950 19872 8302 1 16 . 1 1 48 48 LEU N N 48 117.800 117.800 118.372 -0.572 19872 8303 1 16 . 1 1 48 48 LEU HA H 48 3.840 3.840 4.030 -0.190 19872 8304 1 16 . 1 1 48 48 LEU C C 48 180.100 180.100 179.047 1.053 19872 8305 1 16 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.648 -0.248 19872 8306 1 16 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.516 -0.616 19872 8307 1 16 . 1 1 49 49 VAL N N 49 112.100 112.100 113.545 -1.445 19872 8308 1 16 . 1 1 49 49 VAL HA H 49 3.880 3.880 4.003 -0.123 19872 8309 1 16 . 1 1 49 49 VAL C C 49 176.000 176.000 177.291 -1.291 19872 8310 1 16 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.221 -1.021 19872 8311 1 16 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.109 -0.109 19872 8312 1 16 . 1 1 50 50 LYS N N 50 115.400 115.400 118.252 -2.852 19872 8313 1 16 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.412 -0.252 19872 8314 1 16 . 1 1 50 50 LYS C C 50 177.900 177.900 176.991 0.909 19872 8315 1 16 . 1 1 50 50 LYS CA C 50 56.200 56.200 55.104 1.096 19872 8316 1 16 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.277 1.123 19872 8317 1 16 . 1 1 51 51 LYS N N 51 119.000 119.000 119.160 -0.160 19872 8318 1 16 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.118 -0.198 19872 8319 1 16 . 1 1 51 51 LYS C C 51 174.700 174.700 176.408 -1.708 19872 8320 1 16 . 1 1 51 51 LYS CA C 51 58.000 58.000 58.351 -0.351 19872 8321 1 16 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.892 -0.591 19872 8322 1 16 . 1 1 52 52 ASP N N 52 113.400 113.400 116.634 -3.234 19872 8323 1 16 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.820 0.170 19872 8324 1 16 . 1 1 52 52 ASP C C 52 174.400 174.400 175.243 -0.843 19872 8325 1 16 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.537 -0.737 19872 8326 1 16 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.408 2.192 19872 8327 1 16 . 1 1 53 53 LYS N N 53 119.500 119.500 118.941 0.559 19872 8328 1 16 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.317 -0.307 19872 8329 1 16 . 1 1 53 53 LYS C C 53 176.100 176.100 175.293 0.807 19872 8330 1 16 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.880 1.920 19872 8331 1 16 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.940 -0.340 19872 8332 1 16 . 1 1 54 54 VAL N N 54 117.700 117.700 118.567 -0.867 19872 8333 1 16 . 1 1 54 54 VAL HA H 54 4.620 4.620 5.193 -0.573 19872 8334 1 16 . 1 1 54 54 VAL C C 54 173.700 173.700 174.479 -0.779 19872 8335 1 16 . 1 1 54 54 VAL CA C 54 60.900 60.900 59.758 1.142 19872 8336 1 16 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.066 -1.766 19872 8337 1 16 . 1 1 55 55 VAL N N 55 127.100 127.100 124.319 2.781 19872 8338 1 16 . 1 1 55 55 VAL HA H 55 4.950 4.950 5.091 -0.141 19872 8339 1 16 . 1 1 55 55 VAL C C 55 174.400 174.400 174.435 -0.035 19872 8340 1 16 . 1 1 55 55 VAL CA C 55 60.600 60.600 60.045 0.555 19872 8341 1 16 . 1 1 55 55 VAL CB C 55 35.200 35.200 34.098 1.102 19872 8342 1 16 . 1 1 56 56 VAL N N 56 119.700 119.700 127.051 -7.351 19872 8343 1 16 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.118 0.322 19872 8344 1 16 . 1 1 56 56 VAL C C 56 173.400 173.400 174.462 -1.062 19872 8345 1 16 . 1 1 56 56 VAL CA C 56 58.000 58.000 61.239 -3.239 19872 8346 1 16 . 1 1 56 56 VAL CB C 56 34.800 34.800 35.191 -0.391 19872 8347 1 16 . 1 1 57 57 PHE N N 57 122.400 122.400 124.750 -2.350 19872 8348 1 16 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.264 -0.054 19872 8349 1 16 . 1 1 57 57 PHE C C 57 174.800 174.800 174.010 0.790 19872 8350 1 16 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.343 -0.943 19872 8351 1 16 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.742 -1.042 19872 8352 1 16 . 1 1 58 58 LEU N N 58 120.500 120.500 120.034 0.466 19872 8353 1 16 . 1 1 58 58 LEU HA H 58 4.700 4.700 4.848 -0.148 19872 8354 1 16 . 1 1 58 58 LEU C C 58 175.500 175.500 175.178 0.322 19872 8355 1 16 . 1 1 58 58 LEU CA C 58 53.000 53.000 54.177 -1.177 19872 8356 1 16 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.003 0.097 19872 8357 1 16 . 1 1 59 59 LYS N N 59 117.800 117.800 120.486 -2.686 19872 8358 1 16 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.341 0.009 19872 8359 1 16 . 1 1 59 59 LYS C C 59 175.200 175.200 175.954 -0.754 19872 8360 1 16 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.457 -0.357 19872 8361 1 16 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.748 0.552 19872 8362 1 16 . 1 1 60 60 GLY N N 60 114.800 114.800 110.035 4.765 19872 8363 1 16 . 1 1 60 60 GLY C C 60 170.300 170.300 172.446 -2.146 19872 8364 1 16 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.761 -1.861 19872 8365 1 16 . 1 1 61 61 THR N N 61 107.800 107.800 110.827 -3.027 19872 8366 1 16 . 1 1 61 61 THR HA H 61 4.740 4.740 4.968 -0.228 19872 8367 1 16 . 1 1 61 61 THR C C 61 173.100 173.100 174.301 -1.201 19872 8368 1 16 . 1 1 61 61 THR CA C 61 57.400 57.400 59.294 -1.894 19872 8369 1 16 . 1 1 61 61 THR CB C 61 68.800 68.800 70.172 -1.372 19872 8370 1 16 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.391 -0.421 19872 8371 1 16 . 1 1 62 62 PRO C C 62 177.200 177.200 176.877 0.323 19872 8372 1 16 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.764 0.135 19872 8373 1 16 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.088 -0.988 19872 8374 1 16 . 1 1 63 63 GLU N N 63 111.900 111.900 114.333 -2.433 19872 8375 1 16 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.335 -0.395 19872 8376 1 16 . 1 1 63 63 GLU C C 63 176.500 176.500 175.938 0.562 19872 8377 1 16 . 1 1 63 63 GLU CA C 63 58.100 58.100 56.269 1.831 19872 8378 1 16 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.087 0.113 19872 8379 1 16 . 1 1 64 64 GLN N N 64 117.700 117.700 120.194 -2.494 19872 8380 1 16 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.762 -0.282 19872 8381 1 16 . 1 1 64 64 GLN C C 64 171.500 171.500 173.462 -1.962 19872 8382 1 16 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.746 -0.346 19872 8383 1 16 . 1 1 64 64 GLN CB C 64 29.100 29.100 30.848 -1.748 19872 8384 1 16 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.650 -0.100 19872 8385 1 16 . 1 1 65 65 PRO C C 65 177.900 177.900 177.262 0.638 19872 8386 1 16 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.596 0.404 19872 8387 1 16 . 1 1 65 65 PRO CB C 65 31.700 31.700 31.461 0.239 19872 8388 1 16 . 1 1 66 66 GLN N N 66 119.700 119.700 120.938 -1.238 19872 8389 1 16 . 1 1 66 66 GLN HA H 66 4.500 4.500 3.975 0.525 19872 8390 1 16 . 1 1 66 66 GLN C C 66 174.400 174.400 176.193 -1.793 19872 8391 1 16 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.891 -3.291 19872 8392 1 16 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.566 0.534 19872 8393 1 16 . 1 1 67 67 CYS N N 67 116.700 116.700 115.125 1.575 19872 8394 1 16 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.577 0.122 19872 8395 1 16 . 1 1 67 67 CYS C C 67 176.500 176.500 174.201 2.299 19872 8396 1 16 . 1 1 67 67 CYS CA C 67 58.700 58.700 57.472 1.228 19872 8397 1 16 . 1 1 67 67 CYS CB C 67 32.800 32.800 29.719 3.081 19872 8398 1 16 . 1 1 68 68 GLY C C 68 176.500 176.500 175.364 1.136 19872 8399 1 16 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.822 0.079 19872 8400 1 16 . 1 1 69 69 PHE N N 69 125.800 125.800 115.633 10.167 19872 8401 1 16 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.046 0.664 19872 8402 1 16 . 1 1 69 69 PHE C C 69 178.300 178.300 176.907 1.393 19872 8403 1 16 . 1 1 69 69 PHE CA C 69 59.900 59.900 59.602 0.298 19872 8404 1 16 . 1 1 69 69 PHE CB C 69 37.900 37.900 37.562 0.338 19872 8405 1 16 . 1 1 70 70 SER N N 70 124.200 124.200 115.787 8.413 19872 8406 1 16 . 1 1 70 70 SER HA H 70 3.980 3.980 4.202 -0.222 19872 8407 1 16 . 1 1 70 70 SER CA C 70 63.800 63.800 61.857 1.943 19872 8408 1 16 . 1 1 70 70 SER CB C 70 62.000 62.000 63.144 -1.144 19872 8409 1 16 . 1 1 71 71 ASN N N 71 118.500 118.500 120.128 -1.628 19872 8410 1 16 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.510 -0.360 19872 8411 1 16 . 1 1 71 71 ASN C C 71 175.800 175.800 176.661 -0.861 19872 8412 1 16 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.606 0.794 19872 8413 1 16 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.158 0.642 19872 8414 1 16 . 1 1 72 72 ALA N N 72 119.900 119.900 123.752 -3.852 19872 8415 1 16 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.064 -0.084 19872 8416 1 16 . 1 1 72 72 ALA C C 72 179.700 179.700 179.731 -0.031 19872 8417 1 16 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.918 -0.118 19872 8418 1 16 . 1 1 72 72 ALA CB C 72 17.700 17.700 17.917 -0.217 19872 8419 1 16 . 1 1 73 73 VAL N N 73 115.700 115.700 114.185 1.515 19872 8420 1 16 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.573 -0.233 19872 8421 1 16 . 1 1 73 73 VAL C C 73 176.300 176.300 177.611 -1.311 19872 8422 1 16 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.851 0.349 19872 8423 1 16 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.487 -0.387 19872 8424 1 16 . 1 1 74 74 VAL N N 74 118.100 118.100 121.101 -3.001 19872 8425 1 16 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.599 -0.269 19872 8426 1 16 . 1 1 74 74 VAL C C 74 178.800 178.800 178.089 0.711 19872 8427 1 16 . 1 1 74 74 VAL CA C 74 66.100 66.100 66.459 -0.359 19872 8428 1 16 . 1 1 74 74 VAL CB C 74 31.100 31.100 31.706 -0.606 19872 8429 1 16 . 1 1 75 75 GLN N N 75 119.000 119.000 119.371 -0.371 19872 8430 1 16 . 1 1 75 75 GLN HA H 75 3.910 3.910 4.047 -0.137 19872 8431 1 16 . 1 1 75 75 GLN C C 75 178.500 178.500 178.823 -0.323 19872 8432 1 16 . 1 1 75 75 GLN CA C 75 57.900 57.900 58.355 -0.455 19872 8433 1 16 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.121 -1.021 19872 8434 1 16 . 1 1 76 76 ILE N N 76 120.600 120.600 120.950 -0.350 19872 8435 1 16 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.412 -0.092 19872 8436 1 16 . 1 1 76 76 ILE C C 76 177.600 177.600 178.276 -0.676 19872 8437 1 16 . 1 1 76 76 ILE CA C 76 64.700 64.700 65.490 -0.790 19872 8438 1 16 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.566 -0.666 19872 8439 1 16 . 1 1 77 77 LEU N N 77 117.800 117.800 119.691 -1.891 19872 8440 1 16 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.996 -0.266 19872 8441 1 16 . 1 1 77 77 LEU C C 77 178.400 178.400 179.209 -0.809 19872 8442 1 16 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.482 -0.382 19872 8443 1 16 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.646 -2.246 19872 8444 1 16 . 1 1 78 78 ARG N N 78 118.800 118.800 119.093 -0.293 19872 8445 1 16 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.316 -0.236 19872 8446 1 16 . 1 1 78 78 ARG C C 78 180.800 180.800 179.311 1.489 19872 8447 1 16 . 1 1 78 78 ARG CA C 78 58.900 58.900 59.096 -0.196 19872 8448 1 16 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.918 -0.618 19872 8449 1 16 . 1 1 79 79 LEU N N 79 123.200 123.200 122.228 0.972 19872 8450 1 16 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.040 -0.150 19872 8451 1 16 . 1 1 79 79 LEU C C 79 178.200 178.200 178.606 -0.406 19872 8452 1 16 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.699 -0.199 19872 8453 1 16 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.802 -0.302 19872 8454 1 16 . 1 1 80 80 HIS N N 80 112.200 112.200 115.018 -2.818 19872 8455 1 16 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.611 -0.511 19872 8456 1 16 . 1 1 80 80 HIS C C 80 176.000 176.000 176.551 -0.551 19872 8457 1 16 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.767 0.233 19872 8458 1 16 . 1 1 80 80 HIS CB C 80 31.700 31.700 29.945 1.755 19872 8459 1 16 . 1 1 81 81 GLY N N 81 111.700 111.700 107.864 3.836 19872 8460 1 16 . 1 1 81 81 GLY C C 81 174.000 174.000 173.955 0.045 19872 8461 1 16 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.578 0.022 19872 8462 1 16 . 1 1 82 82 VAL N N 82 120.400 120.400 122.143 -1.743 19872 8463 1 16 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.533 -0.723 19872 8464 1 16 . 1 1 82 82 VAL C C 82 174.800 174.800 174.754 0.046 19872 8465 1 16 . 1 1 82 82 VAL CA C 82 62.200 62.200 61.530 0.670 19872 8466 1 16 . 1 1 82 82 VAL CB C 82 29.700 29.700 32.478 -2.778 19872 8467 1 16 . 1 1 83 83 ARG N N 83 126.600 126.600 123.780 2.820 19872 8468 1 16 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.311 0.049 19872 8469 1 16 . 1 1 83 83 ARG C C 83 176.000 176.000 175.133 0.867 19872 8470 1 16 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.064 0.536 19872 8471 1 16 . 1 1 83 83 ARG CB C 83 31.100 31.100 30.941 0.159 19872 8472 1 16 . 1 1 84 84 ASP N N 84 118.400 118.400 118.224 0.176 19872 8473 1 16 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.362 0.188 19872 8474 1 16 . 1 1 84 84 ASP C C 84 174.200 174.200 174.927 -0.727 19872 8475 1 16 . 1 1 84 84 ASP CA C 84 53.000 53.000 52.906 0.094 19872 8476 1 16 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.374 -0.374 19872 8477 1 16 . 1 1 85 85 TYR N N 85 116.200 116.200 117.159 -0.959 19872 8478 1 16 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.767 -0.017 19872 8479 1 16 . 1 1 85 85 TYR C C 85 173.100 173.100 175.655 -2.555 19872 8480 1 16 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.285 -1.285 19872 8481 1 16 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.509 0.691 19872 8482 1 16 . 1 1 86 86 ALA N N 86 125.000 125.000 122.772 2.228 19872 8483 1 16 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.529 -0.309 19872 8484 1 16 . 1 1 86 86 ALA C C 86 174.300 174.300 175.670 -1.370 19872 8485 1 16 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.599 0.201 19872 8486 1 16 . 1 1 86 86 ALA CB C 86 20.400 20.400 19.533 0.867 19872 8487 1 16 . 1 1 87 87 ALA N N 87 124.400 124.400 129.781 -5.381 19872 8488 1 16 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.543 0.627 19872 8489 1 16 . 1 1 87 87 ALA C C 87 175.400 175.400 176.151 -0.751 19872 8490 1 16 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.861 -1.961 19872 8491 1 16 . 1 1 87 87 ALA CB C 87 21.400 21.400 18.897 2.503 19872 8492 1 16 . 1 1 88 88 TYR N N 88 121.100 121.100 124.531 -3.431 19872 8493 1 16 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.272 0.218 19872 8494 1 16 . 1 1 88 88 TYR C C 88 174.100 174.100 175.111 -1.011 19872 8495 1 16 . 1 1 88 88 TYR CA C 88 56.900 56.900 57.960 -1.060 19872 8496 1 16 . 1 1 88 88 TYR CB C 88 40.200 40.200 39.112 1.088 19872 8497 1 16 . 1 1 89 89 ASN N N 89 122.300 122.300 123.029 -0.729 19872 8498 1 16 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.307 -0.117 19872 8499 1 16 . 1 1 89 89 ASN C C 89 178.000 178.000 176.416 1.584 19872 8500 1 16 . 1 1 89 89 ASN CA C 89 50.800 50.800 51.712 -0.912 19872 8501 1 16 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.717 -0.717 19872 8502 1 16 . 1 1 90 90 VAL N N 90 117.900 117.900 120.932 -3.032 19872 8503 1 16 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.138 0.042 19872 8504 1 16 . 1 1 90 90 VAL C C 90 176.700 176.700 175.482 1.218 19872 8505 1 16 . 1 1 90 90 VAL CA C 90 62.200 62.200 63.126 -0.926 19872 8506 1 16 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.097 -0.597 19872 8507 1 16 . 1 1 91 91 LEU N N 91 118.900 118.900 120.479 -1.579 19872 8508 1 16 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.201 -0.141 19872 8509 1 16 . 1 1 91 91 LEU C C 91 177.500 177.500 178.323 -0.823 19872 8510 1 16 . 1 1 91 91 LEU CA C 91 56.000 56.000 56.993 -0.993 19872 8511 1 16 . 1 1 91 91 LEU CB C 91 40.400 40.400 42.143 -1.743 19872 8512 1 16 . 1 1 92 92 ASP N N 92 115.500 115.500 119.825 -4.325 19872 8513 1 16 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.584 0.086 19872 8514 1 16 . 1 1 92 92 ASP C C 92 175.500 175.500 176.426 -0.926 19872 8515 1 16 . 1 1 92 92 ASP CA C 92 54.100 54.100 55.633 -1.533 19872 8516 1 16 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.948 -0.948 19872 8517 1 16 . 1 1 93 93 ASP N N 93 115.000 115.000 120.645 -5.645 19872 8518 1 16 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.064 -0.034 19872 8519 1 16 . 1 1 93 93 ASP C C 93 172.800 172.800 175.399 -2.599 19872 8520 1 16 . 1 1 93 93 ASP CA C 93 50.500 50.500 52.082 -1.582 19872 8521 1 16 . 1 1 93 93 ASP CB C 93 41.900 41.900 41.971 -0.071 19872 8522 1 16 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.374 -0.104 19872 8523 1 16 . 1 1 94 94 PRO C C 94 179.300 179.300 178.065 1.235 19872 8524 1 16 . 1 1 94 94 PRO CA C 94 64.100 64.100 64.640 -0.540 19872 8525 1 16 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.297 -0.497 19872 8526 1 16 . 1 1 95 95 GLU N N 95 118.600 118.600 119.077 -0.477 19872 8527 1 16 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.121 -0.081 19872 8528 1 16 . 1 1 95 95 GLU C C 95 179.500 179.500 178.970 0.530 19872 8529 1 16 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.259 -0.659 19872 8530 1 16 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.461 0.139 19872 8531 1 16 . 1 1 96 96 LEU N N 96 123.800 123.800 120.665 3.135 19872 8532 1 16 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.006 -0.116 19872 8533 1 16 . 1 1 96 96 LEU C C 96 177.200 177.200 178.872 -1.672 19872 8534 1 16 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.389 -0.289 19872 8535 1 16 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.753 -0.453 19872 8536 1 16 . 1 1 97 97 ARG N N 97 117.900 117.900 119.567 -1.667 19872 8537 1 16 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.907 -0.367 19872 8538 1 16 . 1 1 97 97 ARG C C 97 176.400 176.400 178.631 -2.231 19872 8539 1 16 . 1 1 97 97 ARG CA C 97 59.900 59.900 59.910 -0.010 19872 8540 1 16 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.043 0.357 19872 8541 1 16 . 1 1 98 98 GLN N N 98 114.400 114.400 117.760 -3.360 19872 8542 1 16 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.171 -0.351 19872 8543 1 16 . 1 1 98 98 GLN C C 98 177.500 177.500 178.566 -1.066 19872 8544 1 16 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.258 -1.358 19872 8545 1 16 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.326 -0.326 19872 8546 1 16 . 1 1 99 99 GLY N N 99 107.700 107.700 108.917 -1.217 19872 8547 1 16 . 1 1 99 99 GLY C C 99 176.700 176.700 176.179 0.521 19872 8548 1 16 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.373 -0.873 19872 8549 1 16 . 1 1 100 100 ILE N N 100 120.900 120.900 122.483 -1.583 19872 8550 1 16 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.905 0.075 19872 8551 1 16 . 1 1 100 100 ILE C C 100 176.800 176.800 177.627 -0.827 19872 8552 1 16 . 1 1 100 100 ILE CA C 100 60.500 60.500 61.465 -0.966 19872 8553 1 16 . 1 1 100 100 ILE CB C 100 37.500 37.500 38.013 -0.513 19872 8554 1 16 . 1 1 101 101 LYS N N 101 124.600 124.600 121.504 3.096 19872 8555 1 16 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.286 -0.206 19872 8556 1 16 . 1 1 101 101 LYS C C 101 178.900 178.900 178.537 0.363 19872 8557 1 16 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.828 -1.127 19872 8558 1 16 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.122 -0.322 19872 8559 1 16 . 1 1 102 102 ASP N N 102 118.700 118.700 118.802 -0.102 19872 8560 1 16 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.431 -0.181 19872 8561 1 16 . 1 1 102 102 ASP C C 102 177.700 177.700 178.812 -1.112 19872 8562 1 16 . 1 1 102 102 ASP CA C 102 56.200 56.200 57.094 -0.894 19872 8563 1 16 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.260 -1.560 19872 8564 1 16 . 1 1 103 103 TYR N N 103 120.300 120.300 119.955 0.345 19872 8565 1 16 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.210 -0.150 19872 8566 1 16 . 1 1 103 103 TYR C C 103 176.600 176.600 177.244 -0.644 19872 8567 1 16 . 1 1 103 103 TYR CA C 103 60.500 60.500 60.706 -0.206 19872 8568 1 16 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.947 0.953 19872 8569 1 16 . 1 1 104 104 SER N N 104 110.900 110.900 113.668 -2.768 19872 8570 1 16 . 1 1 104 104 SER HA H 104 3.900 3.900 4.251 -0.351 19872 8571 1 16 . 1 1 104 104 SER C C 104 174.600 174.600 174.729 -0.129 19872 8572 1 16 . 1 1 104 104 SER CA C 104 57.700 57.700 58.734 -1.034 19872 8573 1 16 . 1 1 104 104 SER CB C 104 63.900 63.900 63.964 -0.064 19872 8574 1 16 . 1 1 105 105 ASN N N 105 117.900 117.900 117.561 0.339 19872 8575 1 16 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.448 -0.248 19872 8576 1 16 . 1 1 105 105 ASN C C 105 173.200 173.200 173.773 -0.573 19872 8577 1 16 . 1 1 105 105 ASN CA C 105 53.800 53.800 54.792 -0.992 19872 8578 1 16 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.047 -0.847 19872 8579 1 16 . 1 1 106 106 TRP N N 106 120.600 120.600 118.315 2.285 19872 8580 1 16 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.051 0.029 19872 8581 1 16 . 1 1 106 106 TRP C C 106 175.400 175.400 174.898 0.502 19872 8582 1 16 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.115 -1.615 19872 8583 1 16 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.465 -0.465 19872 8584 1 16 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.347 -0.177 19872 8585 1 16 . 1 1 107 107 PRO C C 107 175.900 175.900 176.338 -0.438 19872 8586 1 16 . 1 1 107 107 PRO CA C 107 63.700 63.700 64.053 -0.353 19872 8587 1 16 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.156 -0.556 19872 8588 1 16 . 1 1 108 108 THR N N 108 110.500 110.500 113.804 -3.304 19872 8589 1 16 . 1 1 108 108 THR HA H 108 4.300 4.300 4.551 -0.251 19872 8590 1 16 . 1 1 108 108 THR C C 108 171.400 171.400 172.695 -1.295 19872 8591 1 16 . 1 1 108 108 THR CA C 108 60.400 60.400 62.010 -1.610 19872 8592 1 16 . 1 1 108 108 THR CB C 108 70.400 70.400 70.444 -0.043 19872 8593 1 16 . 1 1 109 109 ILE N N 109 123.100 123.100 125.572 -2.472 19872 8594 1 16 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.570 -0.310 19872 8595 1 16 . 1 1 109 109 ILE C C 109 175.000 175.000 173.683 1.317 19872 8596 1 16 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.770 -1.870 19872 8597 1 16 . 1 1 109 109 ILE CB C 109 40.100 40.100 41.619 -1.519 19872 8598 1 16 . 1 1 110 110 PRO HA H 110 5.340 5.340 5.107 0.233 19872 8599 1 16 . 1 1 110 110 PRO C C 110 175.600 175.600 175.703 -0.103 19872 8600 1 16 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.355 -0.855 19872 8601 1 16 . 1 1 110 110 PRO CB C 110 37.500 37.500 32.784 4.716 19872 8602 1 16 . 1 1 111 111 GLN N N 111 114.700 114.700 119.932 -5.232 19872 8603 1 16 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.088 -0.158 19872 8604 1 16 . 1 1 111 111 GLN C C 111 174.100 174.100 173.330 0.770 19872 8605 1 16 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.244 1.156 19872 8606 1 16 . 1 1 111 111 GLN CB C 111 33.900 33.900 33.098 0.802 19872 8607 1 16 . 1 1 112 112 VAL N N 112 121.000 121.000 119.204 1.796 19872 8608 1 16 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.138 -0.358 19872 8609 1 16 . 1 1 112 112 VAL C C 112 172.300 172.300 173.498 -1.198 19872 8610 1 16 . 1 1 112 112 VAL CA C 112 61.200 61.200 60.313 0.887 19872 8611 1 16 . 1 1 112 112 VAL CB C 112 33.500 33.500 36.173 -2.673 19872 8612 1 16 . 1 1 113 113 TYR N N 113 128.400 128.400 126.202 2.198 19872 8613 1 16 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.346 -0.376 19872 8614 1 16 . 1 1 113 113 TYR C C 113 173.800 173.800 174.696 -0.896 19872 8615 1 16 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.557 0.143 19872 8616 1 16 . 1 1 113 113 TYR CB C 113 41.000 41.000 40.545 0.455 19872 8617 1 16 . 1 1 114 114 LEU N N 114 117.900 117.900 123.590 -5.690 19872 8618 1 16 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.242 0.088 19872 8619 1 16 . 1 1 114 114 LEU C C 114 178.300 178.300 177.522 0.778 19872 8620 1 16 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.777 -1.677 19872 8621 1 16 . 1 1 114 114 LEU CB C 114 43.300 43.300 44.050 -0.750 19872 8622 1 16 . 1 1 115 115 ASN N N 115 125.000 125.000 122.820 2.180 19872 8623 1 16 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.444 0.056 19872 8624 1 16 . 1 1 115 115 ASN C C 115 175.500 175.500 175.743 -0.243 19872 8625 1 16 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.042 -1.342 19872 8626 1 16 . 1 1 115 115 ASN CB C 115 38.700 38.700 38.145 0.555 19872 8627 1 16 . 1 1 116 116 GLY N N 116 105.000 105.000 103.235 1.765 19872 8628 1 16 . 1 1 116 116 GLY C C 116 172.900 172.900 173.107 -0.207 19872 8629 1 16 . 1 1 116 116 GLY CA C 116 45.100 45.100 46.046 -0.946 19872 8630 1 16 . 1 1 117 117 GLU N N 117 118.900 118.900 119.363 -0.463 19872 8631 1 16 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.917 -0.167 19872 8632 1 16 . 1 1 117 117 GLU C C 117 174.700 174.700 174.838 -0.138 19872 8633 1 16 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.034 -0.034 19872 8634 1 16 . 1 1 117 117 GLU CB C 117 31.600 31.600 32.974 -1.374 19872 8635 1 16 . 1 1 118 118 PHE N N 118 124.400 124.400 125.157 -0.757 19872 8636 1 16 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.459 -1.269 19872 8637 1 16 . 1 1 118 118 PHE C C 118 175.500 175.500 174.809 0.691 19872 8638 1 16 . 1 1 118 118 PHE CA C 118 57.500 57.500 58.108 -0.608 19872 8639 1 16 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.570 -1.470 19872 8640 1 16 . 1 1 119 119 VAL N N 119 126.900 126.900 126.033 0.867 19872 8641 1 16 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.072 -0.362 19872 8642 1 16 . 1 1 119 119 VAL C C 119 174.200 174.200 174.399 -0.199 19872 8643 1 16 . 1 1 119 119 VAL CA C 119 61.900 61.900 62.027 -0.127 19872 8644 1 16 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.150 -1.750 19872 8645 1 16 . 1 1 120 120 GLY N N 120 101.400 101.400 105.710 -4.310 19872 8646 1 16 . 1 1 120 120 GLY CA C 120 44.100 44.100 44.727 -0.627 19872 8647 1 16 . 1 1 121 121 GLY N N 121 106.300 106.300 106.097 0.203 19872 8648 1 16 . 1 1 121 121 GLY C C 121 173.100 173.100 175.086 -1.986 19872 8649 1 16 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.765 -0.565 19872 8650 1 16 . 1 1 122 122 CYS N N 122 119.400 119.400 119.224 0.176 19872 8651 1 16 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.036 -0.376 19872 8652 1 16 . 1 1 122 122 CYS C C 122 174.800 174.800 176.130 -1.330 19872 8653 1 16 . 1 1 122 122 CYS CA C 122 61.800 61.800 61.598 0.202 19872 8654 1 16 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.433 0.167 19872 8655 1 16 . 1 1 123 123 ASP N N 123 117.700 117.700 119.827 -2.127 19872 8656 1 16 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.286 -0.046 19872 8657 1 16 . 1 1 123 123 ASP C C 123 179.100 179.100 177.912 1.188 19872 8658 1 16 . 1 1 123 123 ASP CA C 123 57.700 57.700 57.152 0.548 19872 8659 1 16 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.883 -1.683 19872 8660 1 16 . 1 1 124 124 ILE N N 124 120.700 120.700 119.932 0.768 19872 8661 1 16 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.755 -0.035 19872 8662 1 16 . 1 1 124 124 ILE C C 124 177.200 177.200 178.054 -0.854 19872 8663 1 16 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.798 0.302 19872 8664 1 16 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.175 -0.175 19872 8665 1 16 . 1 1 125 125 LEU N N 125 122.000 122.000 121.134 0.866 19872 8666 1 16 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.968 -0.138 19872 8667 1 16 . 1 1 125 125 LEU C C 125 178.800 178.800 178.678 0.122 19872 8668 1 16 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.544 -1.144 19872 8669 1 16 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.446 -0.645 19872 8670 1 16 . 1 1 126 126 LEU N N 126 118.200 118.200 116.305 1.895 19872 8671 1 16 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.132 -0.172 19872 8672 1 16 . 1 1 126 126 LEU C C 126 179.100 179.100 178.275 0.825 19872 8673 1 16 . 1 1 126 126 LEU CA C 126 57.800 57.800 56.955 0.845 19872 8674 1 16 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.794 0.006 19872 8675 1 16 . 1 1 127 127 GLN N N 127 119.900 119.900 117.989 1.911 19872 8676 1 16 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.186 -0.216 19872 8677 1 16 . 1 1 127 127 GLN C C 127 178.200 178.200 178.135 0.065 19872 8678 1 16 . 1 1 127 127 GLN CA C 127 59.000 59.000 58.019 0.981 19872 8679 1 16 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.784 -0.884 19872 8680 1 16 . 1 1 128 128 MET N N 128 117.500 117.500 118.695 -1.195 19872 8681 1 16 . 1 1 128 128 MET HA H 128 4.360 4.360 4.113 0.247 19872 8682 1 16 . 1 1 128 128 MET C C 128 179.600 179.600 178.738 0.862 19872 8683 1 16 . 1 1 128 128 MET CA C 128 57.800 57.800 59.236 -1.436 19872 8684 1 16 . 1 1 128 128 MET CB C 128 33.500 33.500 32.558 0.942 19872 8685 1 16 . 1 1 129 129 HIS N N 129 122.300 122.300 119.405 2.895 19872 8686 1 16 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.367 -0.017 19872 8687 1 16 . 1 1 129 129 HIS C C 129 177.000 177.000 177.629 -0.629 19872 8688 1 16 . 1 1 129 129 HIS CA C 129 59.200 59.200 59.948 -0.748 19872 8689 1 16 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.799 1.302 19872 8690 1 16 . 1 1 130 130 GLN N N 130 116.700 116.700 117.140 -0.440 19872 8691 1 16 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.037 -0.277 19872 8692 1 16 . 1 1 130 130 GLN C C 130 177.600 177.600 177.700 -0.100 19872 8693 1 16 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.239 0.561 19872 8694 1 16 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.108 -0.808 19872 8695 1 16 . 1 1 131 131 ASN N N 131 114.200 114.200 118.007 -3.807 19872 8696 1 16 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.595 0.025 19872 8697 1 16 . 1 1 131 131 ASN C C 131 176.600 176.600 176.275 0.325 19872 8698 1 16 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.750 -1.450 19872 8699 1 16 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.256 -1.256 19872 8700 1 16 . 1 1 132 132 GLY N N 132 106.600 106.600 106.407 0.193 19872 8701 1 16 . 1 1 132 132 GLY C C 132 175.300 175.300 174.658 0.642 19872 8702 1 16 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.028 0.172 19872 8703 1 16 . 1 1 133 133 ASP N N 133 122.900 122.900 121.190 1.710 19872 8704 1 16 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.609 -0.239 19872 8705 1 16 . 1 1 133 133 ASP C C 133 178.700 178.700 177.753 0.947 19872 8706 1 16 . 1 1 133 133 ASP CA C 133 56.700 56.700 55.403 1.297 19872 8707 1 16 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.928 -0.928 19872 8708 1 16 . 1 1 134 134 LEU N N 134 118.900 118.900 118.988 -0.088 19872 8709 1 16 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.079 -0.299 19872 8710 1 16 . 1 1 134 134 LEU C C 134 177.300 177.300 178.009 -0.709 19872 8711 1 16 . 1 1 134 134 LEU CA C 134 57.300 57.300 57.188 0.112 19872 8712 1 16 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.766 -1.766 19872 8713 1 16 . 1 1 135 135 VAL N N 135 116.600 116.600 117.366 -0.766 19872 8714 1 16 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.759 -0.359 19872 8715 1 16 . 1 1 135 135 VAL C C 135 178.300 178.300 178.210 0.090 19872 8716 1 16 . 1 1 135 135 VAL CA C 135 66.800 66.800 65.612 1.188 19872 8717 1 16 . 1 1 135 135 VAL CB C 135 31.200 31.200 30.805 0.395 19872 8718 1 16 . 1 1 136 136 GLU N N 136 118.600 118.600 119.697 -1.097 19872 8719 1 16 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.082 -0.062 19872 8720 1 16 . 1 1 136 136 GLU C C 136 178.800 178.800 178.833 -0.033 19872 8721 1 16 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.016 -1.016 19872 8722 1 16 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.887 -0.387 19872 8723 1 16 . 1 1 137 137 GLU N N 137 119.500 119.500 120.519 -1.019 19872 8724 1 16 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.104 -0.214 19872 8725 1 16 . 1 1 137 137 GLU C C 137 179.500 179.500 179.166 0.334 19872 8726 1 16 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.670 -0.670 19872 8727 1 16 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.294 -0.695 19872 8728 1 16 . 1 1 138 138 LEU N N 138 117.400 117.400 119.287 -1.887 19872 8729 1 16 . 1 1 138 138 LEU HA H 138 3.890 3.890 4.022 -0.132 19872 8730 1 16 . 1 1 138 138 LEU C C 138 179.200 179.200 179.015 0.185 19872 8731 1 16 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.609 -0.109 19872 8732 1 16 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.903 -2.603 19872 8733 1 16 . 1 1 139 139 LYS N N 139 121.100 121.100 119.334 1.766 19872 8734 1 16 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.077 -0.227 19872 8735 1 16 . 1 1 139 139 LYS C C 139 180.900 180.900 179.666 1.234 19872 8736 1 16 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.283 0.316 19872 8737 1 16 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.026 -0.226 19872 8738 1 16 . 1 1 140 140 LYS N N 140 119.800 119.800 120.808 -1.008 19872 8739 1 16 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.071 -0.131 19872 8740 1 16 . 1 1 140 140 LYS C C 140 177.600 177.600 177.933 -0.333 19872 8741 1 16 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.934 -0.234 19872 8742 1 16 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.202 -0.302 19872 8743 1 16 . 1 1 141 141 LEU N N 141 116.600 116.600 116.600 0.000 19872 8744 1 16 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.328 -0.008 19872 8745 1 16 . 1 1 141 141 LEU C C 141 176.400 176.400 177.492 -1.092 19872 8746 1 16 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.620 -1.020 19872 8747 1 16 . 1 1 141 141 LEU CB C 141 42.000 42.000 42.284 -0.284 19872 8748 1 16 . 1 1 142 142 GLY N N 142 107.200 107.200 107.685 -0.485 19872 8749 1 16 . 1 1 142 142 GLY C C 142 173.900 173.900 174.811 -0.911 19872 8750 1 16 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.487 -0.487 19872 8751 1 16 . 1 1 143 143 ILE N N 143 121.600 121.600 120.652 0.948 19872 8752 1 16 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.004 0.016 19872 8753 1 16 . 1 1 143 143 ILE C C 143 173.900 173.900 175.855 -1.955 19872 8754 1 16 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.690 -1.690 19872 8755 1 16 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.685 0.015 19872 8756 1 16 . 1 1 144 144 HIS N N 144 128.000 128.000 126.950 1.050 19872 8757 1 16 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.661 -0.321 19872 8758 1 16 . 1 1 144 144 HIS C C 144 173.800 173.800 174.778 -0.978 19872 8759 1 16 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.195 -0.895 19872 8760 1 16 . 1 1 144 144 HIS CB C 144 28.600 28.600 30.113 -1.513 19872 8761 1 16 . 1 1 145 145 SER N N 145 121.400 121.400 123.453 -2.053 19872 8762 1 16 . 1 1 145 145 SER HA H 145 4.470 4.470 4.596 -0.126 19872 8763 1 16 . 1 1 145 145 SER CA C 145 57.800 57.800 58.604 -0.804 19872 8764 1 16 . 1 1 145 145 SER CB C 145 62.200 62.200 64.185 -1.985 19872 8765 1 16 . 1 1 146 146 ALA N N 146 130.100 130.100 130.908 -0.808 19872 8766 1 16 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.311 -0.131 19872 8767 1 16 . 1 1 146 146 ALA C C 146 178.100 178.100 179.070 -0.970 19872 8768 1 16 . 1 1 146 146 ALA CA C 146 52.900 52.900 54.465 -1.565 19872 8769 1 16 . 1 1 146 146 ALA CB C 146 17.700 17.700 19.025 -1.325 19872 8770 1 16 . 1 1 147 147 LEU N N 147 117.800 117.800 117.850 -0.050 19872 8771 1 16 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.130 -0.070 19872 8772 1 16 . 1 1 147 147 LEU C C 147 177.700 177.700 178.633 -0.933 19872 8773 1 16 . 1 1 147 147 LEU CA C 147 55.100 55.100 55.422 -0.322 19872 8774 1 16 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.016 -0.616 19872 8775 1 16 . 1 1 148 148 LEU N N 148 120.100 120.100 121.527 -1.427 19872 8776 1 16 . 1 1 148 148 LEU HA H 148 4.180 4.180 3.918 0.262 19872 8777 1 16 . 1 1 148 148 LEU C C 148 176.500 176.500 178.080 -1.580 19872 8778 1 16 . 1 1 148 148 LEU CA C 148 54.700 54.700 58.009 -3.309 19872 8779 1 16 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.897 0.103 19872 8780 1 16 . 1 1 149 149 ASP N N 149 121.900 121.900 117.237 4.663 19872 8781 1 16 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.737 -0.137 19872 8782 1 16 . 1 1 149 149 ASP C C 149 174.800 174.800 175.523 -0.723 19872 8783 1 16 . 1 1 149 149 ASP CA C 149 53.900 53.900 54.304 -0.404 19872 8784 1 16 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.375 -0.775 19872 8785 1 17 . 1 1 2 2 SER HA H 2 4.360 4.360 4.308 0.052 19872 8786 1 17 . 1 1 2 2 SER C C 2 173.800 173.800 173.974 -0.174 19872 8787 1 17 . 1 1 2 2 SER CA C 2 58.000 58.000 57.542 0.458 19872 8788 1 17 . 1 1 2 2 SER CB C 2 63.100 63.100 62.721 0.379 19872 8789 1 17 . 1 1 3 3 PHE N N 3 122.000 122.000 124.587 -2.587 19872 8790 1 17 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.510 0.100 19872 8791 1 17 . 1 1 3 3 PHE C C 3 175.300 175.300 177.070 -1.770 19872 8792 1 17 . 1 1 3 3 PHE CA C 3 57.300 57.300 58.408 -1.108 19872 8793 1 17 . 1 1 3 3 PHE CB C 3 39.300 39.300 39.355 -0.055 19872 8794 1 17 . 1 1 4 4 THR N N 4 116.900 116.900 114.985 1.915 19872 8795 1 17 . 1 1 4 4 THR HA H 4 4.180 4.180 4.396 -0.216 19872 8796 1 17 . 1 1 4 4 THR C C 4 173.800 173.800 175.858 -2.058 19872 8797 1 17 . 1 1 4 4 THR CA C 4 61.000 61.000 61.968 -0.968 19872 8798 1 17 . 1 1 4 4 THR CB C 4 69.300 69.300 69.665 -0.364 19872 8799 1 17 . 1 1 36 36 ALA N N 36 123.600 123.600 123.133 0.467 19872 8800 1 17 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.824 -0.594 19872 8801 1 17 . 1 1 36 36 ALA C C 36 178.100 178.100 175.197 2.903 19872 8802 1 17 . 1 1 36 36 ALA CA C 36 52.000 52.000 51.894 0.106 19872 8803 1 17 . 1 1 36 36 ALA CB C 36 18.700 18.700 21.387 -2.687 19872 8804 1 17 . 1 1 37 37 GLY N N 37 108.200 108.200 106.014 2.186 19872 8805 1 17 . 1 1 37 37 GLY C C 37 174.500 174.500 173.174 1.326 19872 8806 1 17 . 1 1 37 37 GLY CA C 37 44.800 44.800 45.162 -0.362 19872 8807 1 17 . 1 1 38 38 GLY N N 38 108.200 108.200 106.109 2.091 19872 8808 1 17 . 1 1 38 38 GLY C C 38 174.500 174.500 172.658 1.842 19872 8809 1 17 . 1 1 38 38 GLY CA C 38 44.700 44.700 45.194 -0.494 19872 8810 1 17 . 1 1 39 39 GLY N N 39 108.600 108.600 105.921 2.679 19872 8811 1 17 . 1 1 39 39 GLY C C 39 174.100 174.100 175.387 -1.287 19872 8812 1 17 . 1 1 39 39 GLY CA C 39 44.800 44.800 44.617 0.183 19872 8813 1 17 . 1 1 40 40 GLY N N 40 107.700 107.700 110.275 -2.575 19872 8814 1 17 . 1 1 40 40 GLY C C 40 174.100 174.100 174.470 -0.370 19872 8815 1 17 . 1 1 40 40 GLY CA C 40 44.700 44.700 45.937 -1.237 19872 8816 1 17 . 1 1 41 41 SER N N 41 115.700 115.700 114.420 1.280 19872 8817 1 17 . 1 1 41 41 SER HA H 41 4.220 4.220 4.778 -0.558 19872 8818 1 17 . 1 1 41 41 SER C C 41 174.800 174.800 174.689 0.111 19872 8819 1 17 . 1 1 41 41 SER CA C 41 58.400 58.400 56.325 2.075 19872 8820 1 17 . 1 1 41 41 SER CB C 41 63.100 63.100 64.236 -1.136 19872 8821 1 17 . 1 1 42 42 ALA N N 42 124.700 124.700 123.160 1.540 19872 8822 1 17 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.266 -0.316 19872 8823 1 17 . 1 1 42 42 ALA C C 42 178.800 178.800 179.064 -0.264 19872 8824 1 17 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.465 -0.765 19872 8825 1 17 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.864 -1.164 19872 8826 1 17 . 1 1 43 43 GLU N N 43 116.700 116.700 116.560 0.140 19872 8827 1 17 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.007 -0.057 19872 8828 1 17 . 1 1 43 43 GLU C C 43 178.800 178.800 178.234 0.566 19872 8829 1 17 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.328 0.172 19872 8830 1 17 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.790 -0.189 19872 8831 1 17 . 1 1 44 44 GLN N N 44 119.400 119.400 120.909 -1.509 19872 8832 1 17 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.115 -0.145 19872 8833 1 17 . 1 1 44 44 GLN C C 44 178.200 178.200 178.235 -0.035 19872 8834 1 17 . 1 1 44 44 GLN CA C 44 57.600 57.600 58.070 -0.470 19872 8835 1 17 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.448 -0.348 19872 8836 1 17 . 1 1 45 45 LEU N N 45 121.700 121.700 120.159 1.541 19872 8837 1 17 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.686 -0.116 19872 8838 1 17 . 1 1 45 45 LEU C C 45 177.300 177.300 178.865 -1.565 19872 8839 1 17 . 1 1 45 45 LEU CA C 45 56.500 56.500 57.808 -1.308 19872 8840 1 17 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.407 -0.907 19872 8841 1 17 . 1 1 46 46 ASP N N 46 118.000 118.000 119.160 -1.160 19872 8842 1 17 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.349 -0.319 19872 8843 1 17 . 1 1 46 46 ASP C C 46 176.800 176.800 177.978 -1.178 19872 8844 1 17 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.647 -1.047 19872 8845 1 17 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.866 0.734 19872 8846 1 17 . 1 1 47 47 ALA N N 47 116.100 116.100 120.538 -4.438 19872 8847 1 17 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.160 -0.270 19872 8848 1 17 . 1 1 47 47 ALA C C 47 180.300 180.300 178.723 1.577 19872 8849 1 17 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.407 -0.407 19872 8850 1 17 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.545 -1.145 19872 8851 1 17 . 1 1 48 48 LEU N N 48 117.800 117.800 119.377 -1.577 19872 8852 1 17 . 1 1 48 48 LEU HA H 48 3.840 3.840 4.076 -0.236 19872 8853 1 17 . 1 1 48 48 LEU C C 48 180.100 180.100 178.936 1.164 19872 8854 1 17 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.788 -0.388 19872 8855 1 17 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.736 -0.835 19872 8856 1 17 . 1 1 49 49 VAL N N 49 112.100 112.100 115.017 -2.917 19872 8857 1 17 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.867 0.013 19872 8858 1 17 . 1 1 49 49 VAL C C 49 176.000 176.000 177.561 -1.561 19872 8859 1 17 . 1 1 49 49 VAL CA C 49 64.200 64.200 66.258 -2.058 19872 8860 1 17 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.394 -0.394 19872 8861 1 17 . 1 1 50 50 LYS N N 50 115.400 115.400 119.373 -3.973 19872 8862 1 17 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.279 -0.119 19872 8863 1 17 . 1 1 50 50 LYS C C 50 177.900 177.900 177.586 0.314 19872 8864 1 17 . 1 1 50 50 LYS CA C 50 56.200 56.200 56.669 -0.469 19872 8865 1 17 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.448 0.952 19872 8866 1 17 . 1 1 51 51 LYS N N 51 119.000 119.000 118.938 0.062 19872 8867 1 17 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.134 -0.214 19872 8868 1 17 . 1 1 51 51 LYS C C 51 174.700 174.700 176.526 -1.826 19872 8869 1 17 . 1 1 51 51 LYS CA C 51 58.000 58.000 58.450 -0.450 19872 8870 1 17 . 1 1 51 51 LYS CB C 51 32.300 32.300 33.012 -0.712 19872 8871 1 17 . 1 1 52 52 ASP N N 52 113.400 113.400 116.708 -3.308 19872 8872 1 17 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.856 0.134 19872 8873 1 17 . 1 1 52 52 ASP C C 52 174.400 174.400 174.884 -0.484 19872 8874 1 17 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.666 -0.866 19872 8875 1 17 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.411 2.189 19872 8876 1 17 . 1 1 53 53 LYS N N 53 119.500 119.500 119.140 0.360 19872 8877 1 17 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.410 -0.400 19872 8878 1 17 . 1 1 53 53 LYS C C 53 176.100 176.100 176.959 -0.859 19872 8879 1 17 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.501 2.299 19872 8880 1 17 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.794 -0.194 19872 8881 1 17 . 1 1 54 54 VAL N N 54 117.700 117.700 118.490 -0.790 19872 8882 1 17 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.916 -0.296 19872 8883 1 17 . 1 1 54 54 VAL C C 54 173.700 173.700 174.420 -0.720 19872 8884 1 17 . 1 1 54 54 VAL CA C 54 60.900 60.900 61.387 -0.487 19872 8885 1 17 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.907 -1.607 19872 8886 1 17 . 1 1 55 55 VAL N N 55 127.100 127.100 123.465 3.635 19872 8887 1 17 . 1 1 55 55 VAL HA H 55 4.950 4.950 5.116 -0.166 19872 8888 1 17 . 1 1 55 55 VAL C C 55 174.400 174.400 174.706 -0.306 19872 8889 1 17 . 1 1 55 55 VAL CA C 55 60.600 60.600 59.956 0.644 19872 8890 1 17 . 1 1 55 55 VAL CB C 55 35.200 35.200 34.374 0.826 19872 8891 1 17 . 1 1 56 56 VAL N N 56 119.700 119.700 125.581 -5.881 19872 8892 1 17 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.119 0.321 19872 8893 1 17 . 1 1 56 56 VAL C C 56 173.400 173.400 174.365 -0.965 19872 8894 1 17 . 1 1 56 56 VAL CA C 56 58.000 58.000 61.089 -3.089 19872 8895 1 17 . 1 1 56 56 VAL CB C 56 34.800 34.800 36.002 -1.202 19872 8896 1 17 . 1 1 57 57 PHE N N 57 122.400 122.400 124.419 -2.019 19872 8897 1 17 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.305 -0.095 19872 8898 1 17 . 1 1 57 57 PHE C C 57 174.800 174.800 174.170 0.630 19872 8899 1 17 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.310 -0.910 19872 8900 1 17 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.823 -1.123 19872 8901 1 17 . 1 1 58 58 LEU N N 58 120.500 120.500 120.192 0.308 19872 8902 1 17 . 1 1 58 58 LEU HA H 58 4.700 4.700 5.047 -0.347 19872 8903 1 17 . 1 1 58 58 LEU C C 58 175.500 175.500 175.812 -0.312 19872 8904 1 17 . 1 1 58 58 LEU CA C 58 53.000 53.000 54.086 -1.086 19872 8905 1 17 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.807 -0.707 19872 8906 1 17 . 1 1 59 59 LYS N N 59 117.800 117.800 121.134 -3.334 19872 8907 1 17 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.489 -0.139 19872 8908 1 17 . 1 1 59 59 LYS C C 59 175.200 175.200 175.919 -0.719 19872 8909 1 17 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.272 -0.172 19872 8910 1 17 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.806 0.494 19872 8911 1 17 . 1 1 60 60 GLY N N 60 114.800 114.800 110.224 4.576 19872 8912 1 17 . 1 1 60 60 GLY C C 60 170.300 170.300 172.421 -2.121 19872 8913 1 17 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.545 -1.645 19872 8914 1 17 . 1 1 61 61 THR N N 61 107.800 107.800 110.463 -2.663 19872 8915 1 17 . 1 1 61 61 THR HA H 61 4.740 4.740 4.971 -0.231 19872 8916 1 17 . 1 1 61 61 THR C C 61 173.100 173.100 174.049 -0.949 19872 8917 1 17 . 1 1 61 61 THR CA C 61 57.400 57.400 58.623 -1.222 19872 8918 1 17 . 1 1 61 61 THR CB C 61 68.800 68.800 70.447 -1.647 19872 8919 1 17 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.433 -0.463 19872 8920 1 17 . 1 1 62 62 PRO C C 62 177.200 177.200 177.572 -0.372 19872 8921 1 17 . 1 1 62 62 PRO CA C 62 64.900 64.900 65.088 -0.188 19872 8922 1 17 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.196 -1.096 19872 8923 1 17 . 1 1 63 63 GLU N N 63 111.900 111.900 115.314 -3.414 19872 8924 1 17 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.252 -0.312 19872 8925 1 17 . 1 1 63 63 GLU C C 63 176.500 176.500 176.340 0.160 19872 8926 1 17 . 1 1 63 63 GLU CA C 63 58.100 58.100 56.684 1.416 19872 8927 1 17 . 1 1 63 63 GLU CB C 63 29.200 29.200 28.897 0.303 19872 8928 1 17 . 1 1 64 64 GLN N N 64 117.700 117.700 120.155 -2.455 19872 8929 1 17 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.796 -0.316 19872 8930 1 17 . 1 1 64 64 GLN C C 64 171.500 171.500 173.706 -2.206 19872 8931 1 17 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.200 0.200 19872 8932 1 17 . 1 1 64 64 GLN CB C 64 29.100 29.100 30.486 -1.386 19872 8933 1 17 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.676 -0.126 19872 8934 1 17 . 1 1 65 65 PRO C C 65 177.900 177.900 177.831 0.069 19872 8935 1 17 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.738 0.262 19872 8936 1 17 . 1 1 65 65 PRO CB C 65 31.700 31.700 30.837 0.863 19872 8937 1 17 . 1 1 66 66 GLN N N 66 119.700 119.700 124.314 -4.614 19872 8938 1 17 . 1 1 66 66 GLN HA H 66 4.500 4.500 4.045 0.455 19872 8939 1 17 . 1 1 66 66 GLN C C 66 174.400 174.400 175.603 -1.203 19872 8940 1 17 . 1 1 66 66 GLN CA C 66 54.600 54.600 58.444 -3.844 19872 8941 1 17 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.077 1.023 19872 8942 1 17 . 1 1 67 67 CYS N N 67 116.700 116.700 118.252 -1.552 19872 8943 1 17 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.626 0.074 19872 8944 1 17 . 1 1 67 67 CYS C C 67 176.500 176.500 174.863 1.637 19872 8945 1 17 . 1 1 67 67 CYS CA C 67 58.700 58.700 58.514 0.186 19872 8946 1 17 . 1 1 67 67 CYS CB C 67 32.800 32.800 26.928 5.872 19872 8947 1 17 . 1 1 68 68 GLY C C 68 176.500 176.500 174.458 2.042 19872 8948 1 17 . 1 1 68 68 GLY CA C 68 45.900 45.900 46.717 -0.817 19872 8949 1 17 . 1 1 69 69 PHE N N 69 125.800 125.800 117.912 7.888 19872 8950 1 17 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.759 -0.049 19872 8951 1 17 . 1 1 69 69 PHE C C 69 178.300 178.300 176.304 1.996 19872 8952 1 17 . 1 1 69 69 PHE CA C 69 59.900 59.900 58.342 1.558 19872 8953 1 17 . 1 1 69 69 PHE CB C 69 37.900 37.900 41.018 -3.118 19872 8954 1 17 . 1 1 70 70 SER N N 70 124.200 124.200 116.244 7.956 19872 8955 1 17 . 1 1 70 70 SER HA H 70 3.980 3.980 4.169 -0.189 19872 8956 1 17 . 1 1 70 70 SER CA C 70 63.800 63.800 61.887 1.913 19872 8957 1 17 . 1 1 70 70 SER CB C 70 62.000 62.000 63.174 -1.174 19872 8958 1 17 . 1 1 71 71 ASN N N 71 118.500 118.500 119.325 -0.825 19872 8959 1 17 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.491 -0.341 19872 8960 1 17 . 1 1 71 71 ASN C C 71 175.800 175.800 176.596 -0.796 19872 8961 1 17 . 1 1 71 71 ASN CA C 71 56.400 56.400 56.104 0.296 19872 8962 1 17 . 1 1 71 71 ASN CB C 71 38.800 38.800 37.360 1.440 19872 8963 1 17 . 1 1 72 72 ALA N N 72 119.900 119.900 123.598 -3.698 19872 8964 1 17 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.029 -0.049 19872 8965 1 17 . 1 1 72 72 ALA C C 72 179.700 179.700 179.670 0.030 19872 8966 1 17 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.692 0.108 19872 8967 1 17 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.086 -0.386 19872 8968 1 17 . 1 1 73 73 VAL N N 73 115.700 115.700 114.117 1.583 19872 8969 1 17 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.658 -0.318 19872 8970 1 17 . 1 1 73 73 VAL C C 73 176.300 176.300 177.419 -1.119 19872 8971 1 17 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.612 0.588 19872 8972 1 17 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.586 -0.486 19872 8973 1 17 . 1 1 74 74 VAL N N 74 118.100 118.100 120.834 -2.734 19872 8974 1 17 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.638 -0.308 19872 8975 1 17 . 1 1 74 74 VAL C C 74 178.800 178.800 178.289 0.511 19872 8976 1 17 . 1 1 74 74 VAL CA C 74 66.100 66.100 65.600 0.500 19872 8977 1 17 . 1 1 74 74 VAL CB C 74 31.100 31.100 30.848 0.252 19872 8978 1 17 . 1 1 75 75 GLN N N 75 119.000 119.000 119.863 -0.863 19872 8979 1 17 . 1 1 75 75 GLN HA H 75 3.910 3.910 3.995 -0.085 19872 8980 1 17 . 1 1 75 75 GLN C C 75 178.500 178.500 178.846 -0.346 19872 8981 1 17 . 1 1 75 75 GLN CA C 75 57.900 57.900 59.150 -1.250 19872 8982 1 17 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.225 -1.125 19872 8983 1 17 . 1 1 76 76 ILE N N 76 120.600 120.600 120.415 0.185 19872 8984 1 17 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.390 -0.070 19872 8985 1 17 . 1 1 76 76 ILE C C 76 177.600 177.600 178.354 -0.754 19872 8986 1 17 . 1 1 76 76 ILE CA C 76 64.700 64.700 65.216 -0.516 19872 8987 1 17 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.592 -0.692 19872 8988 1 17 . 1 1 77 77 LEU N N 77 117.800 117.800 119.584 -1.784 19872 8989 1 17 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.985 -0.255 19872 8990 1 17 . 1 1 77 77 LEU C C 77 178.400 178.400 179.164 -0.764 19872 8991 1 17 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.385 -0.285 19872 8992 1 17 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.650 -2.250 19872 8993 1 17 . 1 1 78 78 ARG N N 78 118.800 118.800 119.584 -0.784 19872 8994 1 17 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.241 -0.161 19872 8995 1 17 . 1 1 78 78 ARG C C 78 180.800 180.800 179.462 1.338 19872 8996 1 17 . 1 1 78 78 ARG CA C 78 58.900 58.900 58.982 -0.082 19872 8997 1 17 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.668 -0.368 19872 8998 1 17 . 1 1 79 79 LEU N N 79 123.200 123.200 121.812 1.388 19872 8999 1 17 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.058 -0.168 19872 9000 1 17 . 1 1 79 79 LEU C C 79 178.200 178.200 178.672 -0.472 19872 9001 1 17 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.597 -0.097 19872 9002 1 17 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.838 -0.338 19872 9003 1 17 . 1 1 80 80 HIS N N 80 112.200 112.200 114.893 -2.693 19872 9004 1 17 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.594 -0.494 19872 9005 1 17 . 1 1 80 80 HIS C C 80 176.000 176.000 176.667 -0.667 19872 9006 1 17 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.498 0.501 19872 9007 1 17 . 1 1 80 80 HIS CB C 80 31.700 31.700 29.776 1.924 19872 9008 1 17 . 1 1 81 81 GLY N N 81 111.700 111.700 107.847 3.853 19872 9009 1 17 . 1 1 81 81 GLY C C 81 174.000 174.000 174.300 -0.300 19872 9010 1 17 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.743 -0.143 19872 9011 1 17 . 1 1 82 82 VAL N N 82 120.400 120.400 123.331 -2.931 19872 9012 1 17 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.201 -0.391 19872 9013 1 17 . 1 1 82 82 VAL C C 82 174.800 174.800 175.148 -0.348 19872 9014 1 17 . 1 1 82 82 VAL CA C 82 62.200 62.200 62.447 -0.247 19872 9015 1 17 . 1 1 82 82 VAL CB C 82 29.700 29.700 31.212 -1.512 19872 9016 1 17 . 1 1 83 83 ARG N N 83 126.600 126.600 124.583 2.017 19872 9017 1 17 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.378 -0.018 19872 9018 1 17 . 1 1 83 83 ARG C C 83 176.000 176.000 175.535 0.465 19872 9019 1 17 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.739 -0.140 19872 9020 1 17 . 1 1 83 83 ARG CB C 83 31.100 31.100 30.941 0.159 19872 9021 1 17 . 1 1 84 84 ASP N N 84 118.400 118.400 119.558 -1.158 19872 9022 1 17 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.552 -0.002 19872 9023 1 17 . 1 1 84 84 ASP C C 84 174.200 174.200 175.162 -0.962 19872 9024 1 17 . 1 1 84 84 ASP CA C 84 53.000 53.000 53.484 -0.484 19872 9025 1 17 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.574 -0.574 19872 9026 1 17 . 1 1 85 85 TYR N N 85 116.200 116.200 117.630 -1.430 19872 9027 1 17 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.829 -0.079 19872 9028 1 17 . 1 1 85 85 TYR C C 85 173.100 173.100 175.748 -2.648 19872 9029 1 17 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.176 -1.176 19872 9030 1 17 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.721 0.479 19872 9031 1 17 . 1 1 86 86 ALA N N 86 125.000 125.000 122.944 2.056 19872 9032 1 17 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.488 -0.268 19872 9033 1 17 . 1 1 86 86 ALA C C 86 174.300 174.300 175.623 -1.323 19872 9034 1 17 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.542 0.258 19872 9035 1 17 . 1 1 86 86 ALA CB C 86 20.400 20.400 19.369 1.031 19872 9036 1 17 . 1 1 87 87 ALA N N 87 124.400 124.400 129.672 -5.272 19872 9037 1 17 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.506 0.664 19872 9038 1 17 . 1 1 87 87 ALA C C 87 175.400 175.400 176.191 -0.791 19872 9039 1 17 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.944 -2.044 19872 9040 1 17 . 1 1 87 87 ALA CB C 87 21.400 21.400 18.870 2.530 19872 9041 1 17 . 1 1 88 88 TYR N N 88 121.100 121.100 124.712 -3.612 19872 9042 1 17 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.290 0.200 19872 9043 1 17 . 1 1 88 88 TYR C C 88 174.100 174.100 175.013 -0.913 19872 9044 1 17 . 1 1 88 88 TYR CA C 88 56.900 56.900 57.880 -0.980 19872 9045 1 17 . 1 1 88 88 TYR CB C 88 40.200 40.200 39.015 1.185 19872 9046 1 17 . 1 1 89 89 ASN N N 89 122.300 122.300 123.787 -1.487 19872 9047 1 17 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.291 -0.101 19872 9048 1 17 . 1 1 89 89 ASN C C 89 178.000 178.000 176.765 1.235 19872 9049 1 17 . 1 1 89 89 ASN CA C 89 50.800 50.800 51.841 -1.041 19872 9050 1 17 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.873 -0.873 19872 9051 1 17 . 1 1 90 90 VAL N N 90 117.900 117.900 122.712 -4.812 19872 9052 1 17 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.034 0.146 19872 9053 1 17 . 1 1 90 90 VAL C C 90 176.700 176.700 175.924 0.776 19872 9054 1 17 . 1 1 90 90 VAL CA C 90 62.200 62.200 63.922 -1.722 19872 9055 1 17 . 1 1 90 90 VAL CB C 90 30.500 30.500 30.856 -0.356 19872 9056 1 17 . 1 1 91 91 LEU N N 91 118.900 118.900 120.075 -1.175 19872 9057 1 17 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.138 -0.078 19872 9058 1 17 . 1 1 91 91 LEU C C 91 177.500 177.500 178.351 -0.851 19872 9059 1 17 . 1 1 91 91 LEU CA C 91 56.000 56.000 56.893 -0.893 19872 9060 1 17 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.379 -0.979 19872 9061 1 17 . 1 1 92 92 ASP N N 92 115.500 115.500 119.148 -3.648 19872 9062 1 17 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.581 0.089 19872 9063 1 17 . 1 1 92 92 ASP C C 92 175.500 175.500 176.153 -0.653 19872 9064 1 17 . 1 1 92 92 ASP CA C 92 54.100 54.100 56.141 -2.041 19872 9065 1 17 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.754 -0.754 19872 9066 1 17 . 1 1 93 93 ASP N N 93 115.000 115.000 118.606 -3.606 19872 9067 1 17 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.122 -0.092 19872 9068 1 17 . 1 1 93 93 ASP C C 93 172.800 172.800 175.081 -2.281 19872 9069 1 17 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.604 -1.104 19872 9070 1 17 . 1 1 93 93 ASP CB C 93 41.900 41.900 42.541 -0.641 19872 9071 1 17 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.442 -0.172 19872 9072 1 17 . 1 1 94 94 PRO C C 94 179.300 179.300 177.846 1.454 19872 9073 1 17 . 1 1 94 94 PRO CA C 94 64.100 64.100 65.016 -0.916 19872 9074 1 17 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.461 -0.661 19872 9075 1 17 . 1 1 95 95 GLU N N 95 118.600 118.600 118.485 0.115 19872 9076 1 17 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.144 -0.104 19872 9077 1 17 . 1 1 95 95 GLU C C 95 179.500 179.500 179.239 0.261 19872 9078 1 17 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.243 -0.644 19872 9079 1 17 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.595 0.005 19872 9080 1 17 . 1 1 96 96 LEU N N 96 123.800 123.800 120.598 3.202 19872 9081 1 17 . 1 1 96 96 LEU HA H 96 3.890 3.890 3.990 -0.100 19872 9082 1 17 . 1 1 96 96 LEU C C 96 177.200 177.200 178.840 -1.640 19872 9083 1 17 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.336 -0.236 19872 9084 1 17 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.717 -0.417 19872 9085 1 17 . 1 1 97 97 ARG N N 97 117.900 117.900 119.409 -1.509 19872 9086 1 17 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.866 -0.326 19872 9087 1 17 . 1 1 97 97 ARG C C 97 176.400 176.400 178.374 -1.974 19872 9088 1 17 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.064 -0.164 19872 9089 1 17 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.008 0.393 19872 9090 1 17 . 1 1 98 98 GLN N N 98 114.400 114.400 118.143 -3.743 19872 9091 1 17 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.033 -0.213 19872 9092 1 17 . 1 1 98 98 GLN C C 98 177.500 177.500 178.309 -0.809 19872 9093 1 17 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.848 -1.948 19872 9094 1 17 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.525 -0.525 19872 9095 1 17 . 1 1 99 99 GLY N N 99 107.700 107.700 108.609 -0.909 19872 9096 1 17 . 1 1 99 99 GLY C C 99 176.700 176.700 176.120 0.580 19872 9097 1 17 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.382 -0.882 19872 9098 1 17 . 1 1 100 100 ILE N N 100 120.900 120.900 122.248 -1.348 19872 9099 1 17 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.894 0.086 19872 9100 1 17 . 1 1 100 100 ILE C C 100 176.800 176.800 177.198 -0.398 19872 9101 1 17 . 1 1 100 100 ILE CA C 100 60.500 60.500 60.642 -0.142 19872 9102 1 17 . 1 1 100 100 ILE CB C 100 37.500 37.500 37.827 -0.327 19872 9103 1 17 . 1 1 101 101 LYS N N 101 124.600 124.600 121.332 3.268 19872 9104 1 17 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.236 -0.156 19872 9105 1 17 . 1 1 101 101 LYS C C 101 178.900 178.900 179.088 -0.188 19872 9106 1 17 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.925 -1.225 19872 9107 1 17 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.068 -0.268 19872 9108 1 17 . 1 1 102 102 ASP N N 102 118.700 118.700 119.499 -0.799 19872 9109 1 17 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.480 -0.230 19872 9110 1 17 . 1 1 102 102 ASP C C 102 177.700 177.700 178.788 -1.088 19872 9111 1 17 . 1 1 102 102 ASP CA C 102 56.200 56.200 57.253 -1.053 19872 9112 1 17 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.192 -1.492 19872 9113 1 17 . 1 1 103 103 TYR N N 103 120.300 120.300 121.238 -0.938 19872 9114 1 17 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.222 -0.162 19872 9115 1 17 . 1 1 103 103 TYR C C 103 176.600 176.600 177.056 -0.456 19872 9116 1 17 . 1 1 103 103 TYR CA C 103 60.500 60.500 60.601 -0.101 19872 9117 1 17 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.823 1.077 19872 9118 1 17 . 1 1 104 104 SER N N 104 110.900 110.900 114.269 -3.369 19872 9119 1 17 . 1 1 104 104 SER HA H 104 3.900 3.900 4.320 -0.420 19872 9120 1 17 . 1 1 104 104 SER C C 104 174.600 174.600 173.965 0.635 19872 9121 1 17 . 1 1 104 104 SER CA C 104 57.700 57.700 58.397 -0.697 19872 9122 1 17 . 1 1 104 104 SER CB C 104 63.900 63.900 64.146 -0.246 19872 9123 1 17 . 1 1 105 105 ASN N N 105 117.900 117.900 117.878 0.022 19872 9124 1 17 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.407 -0.207 19872 9125 1 17 . 1 1 105 105 ASN C C 105 173.200 173.200 173.911 -0.711 19872 9126 1 17 . 1 1 105 105 ASN CA C 105 53.800 53.800 54.765 -0.965 19872 9127 1 17 . 1 1 105 105 ASN CB C 105 37.200 37.200 37.863 -0.663 19872 9128 1 17 . 1 1 106 106 TRP N N 106 120.600 120.600 118.442 2.158 19872 9129 1 17 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.062 0.018 19872 9130 1 17 . 1 1 106 106 TRP C C 106 175.400 175.400 174.618 0.782 19872 9131 1 17 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.047 -1.548 19872 9132 1 17 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.976 -0.976 19872 9133 1 17 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.388 -0.218 19872 9134 1 17 . 1 1 107 107 PRO C C 107 175.900 175.900 176.567 -0.667 19872 9135 1 17 . 1 1 107 107 PRO CA C 107 63.700 63.700 64.539 -0.839 19872 9136 1 17 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.148 -0.548 19872 9137 1 17 . 1 1 108 108 THR N N 108 110.500 110.500 112.807 -2.307 19872 9138 1 17 . 1 1 108 108 THR HA H 108 4.300 4.300 4.576 -0.276 19872 9139 1 17 . 1 1 108 108 THR C C 108 171.400 171.400 172.353 -0.953 19872 9140 1 17 . 1 1 108 108 THR CA C 108 60.400 60.400 61.807 -1.407 19872 9141 1 17 . 1 1 108 108 THR CB C 108 70.400 70.400 70.690 -0.290 19872 9142 1 17 . 1 1 109 109 ILE N N 109 123.100 123.100 121.015 2.085 19872 9143 1 17 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.778 -0.518 19872 9144 1 17 . 1 1 109 109 ILE C C 109 175.000 175.000 173.837 1.163 19872 9145 1 17 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.674 -1.774 19872 9146 1 17 . 1 1 109 109 ILE CB C 109 40.100 40.100 38.748 1.352 19872 9147 1 17 . 1 1 110 110 PRO HA H 110 5.340 5.340 5.440 -0.100 19872 9148 1 17 . 1 1 110 110 PRO C C 110 175.600 175.600 175.922 -0.322 19872 9149 1 17 . 1 1 110 110 PRO CA C 110 61.500 61.500 61.785 -0.285 19872 9150 1 17 . 1 1 110 110 PRO CB C 110 37.500 37.500 33.087 4.413 19872 9151 1 17 . 1 1 111 111 GLN N N 111 114.700 114.700 119.152 -4.452 19872 9152 1 17 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.329 -0.399 19872 9153 1 17 . 1 1 111 111 GLN C C 111 174.100 174.100 174.399 -0.299 19872 9154 1 17 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.530 0.870 19872 9155 1 17 . 1 1 111 111 GLN CB C 111 33.900 33.900 33.897 0.003 19872 9156 1 17 . 1 1 112 112 VAL N N 112 121.000 121.000 118.401 2.599 19872 9157 1 17 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.253 -0.473 19872 9158 1 17 . 1 1 112 112 VAL C C 112 172.300 172.300 173.729 -1.429 19872 9159 1 17 . 1 1 112 112 VAL CA C 112 61.200 61.200 59.562 1.637 19872 9160 1 17 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.290 -1.790 19872 9161 1 17 . 1 1 113 113 TYR N N 113 128.400 128.400 122.590 5.810 19872 9162 1 17 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.276 -0.306 19872 9163 1 17 . 1 1 113 113 TYR C C 113 173.800 173.800 174.575 -0.775 19872 9164 1 17 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.678 0.022 19872 9165 1 17 . 1 1 113 113 TYR CB C 113 41.000 41.000 41.775 -0.775 19872 9166 1 17 . 1 1 114 114 LEU N N 114 117.900 117.900 123.324 -5.424 19872 9167 1 17 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.240 0.090 19872 9168 1 17 . 1 1 114 114 LEU C C 114 178.300 178.300 177.407 0.893 19872 9169 1 17 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.503 -1.403 19872 9170 1 17 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.627 -0.327 19872 9171 1 17 . 1 1 115 115 ASN N N 115 125.000 125.000 123.704 1.296 19872 9172 1 17 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.279 0.221 19872 9173 1 17 . 1 1 115 115 ASN C C 115 175.500 175.500 175.675 -0.175 19872 9174 1 17 . 1 1 115 115 ASN CA C 115 52.700 52.700 53.988 -1.288 19872 9175 1 17 . 1 1 115 115 ASN CB C 115 38.700 38.700 37.609 1.091 19872 9176 1 17 . 1 1 116 116 GLY N N 116 105.000 105.000 102.264 2.736 19872 9177 1 17 . 1 1 116 116 GLY C C 116 172.900 172.900 173.933 -1.033 19872 9178 1 17 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.622 -0.522 19872 9179 1 17 . 1 1 117 117 GLU N N 117 118.900 118.900 120.571 -1.671 19872 9180 1 17 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.933 -0.183 19872 9181 1 17 . 1 1 117 117 GLU C C 117 174.700 174.700 175.360 -0.660 19872 9182 1 17 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.481 -0.481 19872 9183 1 17 . 1 1 117 117 GLU CB C 117 31.600 31.600 32.642 -1.042 19872 9184 1 17 . 1 1 118 118 PHE N N 118 124.400 124.400 124.560 -0.160 19872 9185 1 17 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.100 -0.910 19872 9186 1 17 . 1 1 118 118 PHE C C 118 175.500 175.500 175.257 0.243 19872 9187 1 17 . 1 1 118 118 PHE CA C 118 57.500 57.500 57.927 -0.427 19872 9188 1 17 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.810 -1.710 19872 9189 1 17 . 1 1 119 119 VAL N N 119 126.900 126.900 122.626 4.274 19872 9190 1 17 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.256 -0.546 19872 9191 1 17 . 1 1 119 119 VAL C C 119 174.200 174.200 175.032 -0.832 19872 9192 1 17 . 1 1 119 119 VAL CA C 119 61.900 61.900 61.670 0.230 19872 9193 1 17 . 1 1 119 119 VAL CB C 119 32.400 32.400 33.448 -1.048 19872 9194 1 17 . 1 1 120 120 GLY N N 120 101.400 101.400 107.491 -6.091 19872 9195 1 17 . 1 1 120 120 GLY CA C 120 44.100 44.100 44.728 -0.628 19872 9196 1 17 . 1 1 121 121 GLY N N 121 106.300 106.300 105.813 0.487 19872 9197 1 17 . 1 1 121 121 GLY C C 121 173.100 173.100 175.261 -2.161 19872 9198 1 17 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.799 -0.599 19872 9199 1 17 . 1 1 122 122 CYS N N 122 119.400 119.400 120.177 -0.777 19872 9200 1 17 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.131 -0.471 19872 9201 1 17 . 1 1 122 122 CYS C C 122 174.800 174.800 176.211 -1.411 19872 9202 1 17 . 1 1 122 122 CYS CA C 122 61.800 61.800 62.440 -0.640 19872 9203 1 17 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.900 -0.300 19872 9204 1 17 . 1 1 123 123 ASP N N 123 117.700 117.700 118.802 -1.102 19872 9205 1 17 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.620 -0.380 19872 9206 1 17 . 1 1 123 123 ASP C C 123 179.100 179.100 177.284 1.816 19872 9207 1 17 . 1 1 123 123 ASP CA C 123 57.700 57.700 56.597 1.103 19872 9208 1 17 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.836 -1.636 19872 9209 1 17 . 1 1 124 124 ILE N N 124 120.700 120.700 118.844 1.856 19872 9210 1 17 . 1 1 124 124 ILE HA H 124 3.720 3.720 4.030 -0.310 19872 9211 1 17 . 1 1 124 124 ILE C C 124 177.200 177.200 177.767 -0.567 19872 9212 1 17 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.094 1.006 19872 9213 1 17 . 1 1 124 124 ILE CB C 124 37.000 37.000 38.045 -1.045 19872 9214 1 17 . 1 1 125 125 LEU N N 125 122.000 122.000 122.403 -0.403 19872 9215 1 17 . 1 1 125 125 LEU HA H 125 3.830 3.830 4.003 -0.173 19872 9216 1 17 . 1 1 125 125 LEU C C 125 178.800 178.800 178.903 -0.103 19872 9217 1 17 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.630 -1.230 19872 9218 1 17 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.791 -0.991 19872 9219 1 17 . 1 1 126 126 LEU N N 126 118.200 118.200 116.502 1.698 19872 9220 1 17 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.109 -0.149 19872 9221 1 17 . 1 1 126 126 LEU C C 126 179.100 179.100 178.453 0.647 19872 9222 1 17 . 1 1 126 126 LEU CA C 126 57.800 57.800 57.221 0.579 19872 9223 1 17 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.894 -0.094 19872 9224 1 17 . 1 1 127 127 GLN N N 127 119.900 119.900 117.857 2.043 19872 9225 1 17 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.228 -0.258 19872 9226 1 17 . 1 1 127 127 GLN C C 127 178.200 178.200 178.305 -0.105 19872 9227 1 17 . 1 1 127 127 GLN CA C 127 59.000 59.000 57.976 1.024 19872 9228 1 17 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.901 -1.001 19872 9229 1 17 . 1 1 128 128 MET N N 128 117.500 117.500 118.620 -1.120 19872 9230 1 17 . 1 1 128 128 MET HA H 128 4.360 4.360 4.511 -0.151 19872 9231 1 17 . 1 1 128 128 MET C C 128 179.600 179.600 179.041 0.559 19872 9232 1 17 . 1 1 128 128 MET CA C 128 57.800 57.800 58.742 -0.942 19872 9233 1 17 . 1 1 128 128 MET CB C 128 33.500 33.500 32.807 0.693 19872 9234 1 17 . 1 1 129 129 HIS N N 129 122.300 122.300 119.683 2.617 19872 9235 1 17 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.386 -0.036 19872 9236 1 17 . 1 1 129 129 HIS C C 129 177.000 177.000 177.665 -0.665 19872 9237 1 17 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.095 -0.895 19872 9238 1 17 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.808 1.292 19872 9239 1 17 . 1 1 130 130 GLN N N 130 116.700 116.700 117.026 -0.326 19872 9240 1 17 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.135 -0.375 19872 9241 1 17 . 1 1 130 130 GLN C C 130 177.600 177.600 177.550 0.050 19872 9242 1 17 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.252 0.548 19872 9243 1 17 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.252 -0.952 19872 9244 1 17 . 1 1 131 131 ASN N N 131 114.200 114.200 117.767 -3.567 19872 9245 1 17 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.647 -0.027 19872 9246 1 17 . 1 1 131 131 ASN C C 131 176.600 176.600 176.437 0.163 19872 9247 1 17 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.894 -1.594 19872 9248 1 17 . 1 1 131 131 ASN CB C 131 38.000 38.000 40.124 -2.124 19872 9249 1 17 . 1 1 132 132 GLY N N 132 106.600 106.600 109.164 -2.564 19872 9250 1 17 . 1 1 132 132 GLY C C 132 175.300 175.300 174.453 0.847 19872 9251 1 17 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.024 0.176 19872 9252 1 17 . 1 1 133 133 ASP N N 133 122.900 122.900 121.936 0.964 19872 9253 1 17 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.545 -0.175 19872 9254 1 17 . 1 1 133 133 ASP C C 133 178.700 178.700 177.727 0.973 19872 9255 1 17 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.509 0.191 19872 9256 1 17 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.620 -0.620 19872 9257 1 17 . 1 1 134 134 LEU N N 134 118.900 118.900 119.014 -0.114 19872 9258 1 17 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.097 -0.317 19872 9259 1 17 . 1 1 134 134 LEU C C 134 177.300 177.300 178.087 -0.787 19872 9260 1 17 . 1 1 134 134 LEU CA C 134 57.300 57.300 57.194 0.106 19872 9261 1 17 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.623 -1.623 19872 9262 1 17 . 1 1 135 135 VAL N N 135 116.600 116.600 119.185 -2.585 19872 9263 1 17 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.608 -0.208 19872 9264 1 17 . 1 1 135 135 VAL C C 135 178.300 178.300 177.849 0.451 19872 9265 1 17 . 1 1 135 135 VAL CA C 135 66.800 66.800 67.060 -0.260 19872 9266 1 17 . 1 1 135 135 VAL CB C 135 31.200 31.200 31.505 -0.305 19872 9267 1 17 . 1 1 136 136 GLU N N 136 118.600 118.600 119.443 -0.843 19872 9268 1 17 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.009 0.011 19872 9269 1 17 . 1 1 136 136 GLU C C 136 178.800 178.800 179.058 -0.258 19872 9270 1 17 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.423 -1.423 19872 9271 1 17 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.895 -0.396 19872 9272 1 17 . 1 1 137 137 GLU N N 137 119.500 119.500 120.478 -0.978 19872 9273 1 17 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.202 -0.312 19872 9274 1 17 . 1 1 137 137 GLU C C 137 179.500 179.500 179.359 0.141 19872 9275 1 17 . 1 1 137 137 GLU CA C 137 58.000 58.000 59.304 -1.304 19872 9276 1 17 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.298 -0.698 19872 9277 1 17 . 1 1 138 138 LEU N N 138 117.400 117.400 119.145 -1.745 19872 9278 1 17 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.994 -0.104 19872 9279 1 17 . 1 1 138 138 LEU C C 138 179.200 179.200 178.599 0.601 19872 9280 1 17 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.597 -0.097 19872 9281 1 17 . 1 1 138 138 LEU CB C 138 39.300 39.300 42.068 -2.768 19872 9282 1 17 . 1 1 139 139 LYS N N 139 121.100 121.100 118.594 2.506 19872 9283 1 17 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.277 -0.427 19872 9284 1 17 . 1 1 139 139 LYS C C 139 180.900 180.900 178.858 2.042 19872 9285 1 17 . 1 1 139 139 LYS CA C 139 59.600 59.600 58.694 0.906 19872 9286 1 17 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.237 -0.437 19872 9287 1 17 . 1 1 140 140 LYS N N 140 119.800 119.800 119.612 0.188 19872 9288 1 17 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.163 -0.223 19872 9289 1 17 . 1 1 140 140 LYS C C 140 177.600 177.600 178.192 -0.592 19872 9290 1 17 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.856 -0.156 19872 9291 1 17 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.410 -0.510 19872 9292 1 17 . 1 1 141 141 LEU N N 141 116.600 116.600 118.865 -2.265 19872 9293 1 17 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.250 0.070 19872 9294 1 17 . 1 1 141 141 LEU C C 141 176.400 176.400 177.868 -1.468 19872 9295 1 17 . 1 1 141 141 LEU CA C 141 53.600 53.600 55.834 -2.234 19872 9296 1 17 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.597 0.403 19872 9297 1 17 . 1 1 142 142 GLY N N 142 107.200 107.200 106.405 0.795 19872 9298 1 17 . 1 1 142 142 GLY C C 142 173.900 173.900 174.847 -0.947 19872 9299 1 17 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.151 -0.151 19872 9300 1 17 . 1 1 143 143 ILE N N 143 121.600 121.600 121.402 0.198 19872 9301 1 17 . 1 1 143 143 ILE HA H 143 4.020 4.020 3.988 0.032 19872 9302 1 17 . 1 1 143 143 ILE C C 143 173.900 173.900 175.508 -1.608 19872 9303 1 17 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.414 -1.414 19872 9304 1 17 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.523 0.177 19872 9305 1 17 . 1 1 144 144 HIS N N 144 128.000 128.000 126.682 1.318 19872 9306 1 17 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.685 -0.345 19872 9307 1 17 . 1 1 144 144 HIS C C 144 173.800 173.800 174.756 -0.956 19872 9308 1 17 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.522 -1.222 19872 9309 1 17 . 1 1 144 144 HIS CB C 144 28.600 28.600 30.267 -1.667 19872 9310 1 17 . 1 1 145 145 SER N N 145 121.400 121.400 122.761 -1.361 19872 9311 1 17 . 1 1 145 145 SER HA H 145 4.470 4.470 4.593 -0.123 19872 9312 1 17 . 1 1 145 145 SER CA C 145 57.800 57.800 58.429 -0.629 19872 9313 1 17 . 1 1 145 145 SER CB C 145 62.200 62.200 64.432 -2.232 19872 9314 1 17 . 1 1 146 146 ALA N N 146 130.100 130.100 129.833 0.267 19872 9315 1 17 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.409 -0.229 19872 9316 1 17 . 1 1 146 146 ALA C C 146 178.100 178.100 178.289 -0.189 19872 9317 1 17 . 1 1 146 146 ALA CA C 146 52.900 52.900 53.822 -0.922 19872 9318 1 17 . 1 1 146 146 ALA CB C 146 17.700 17.700 19.114 -1.414 19872 9319 1 17 . 1 1 147 147 LEU N N 147 117.800 117.800 117.430 0.370 19872 9320 1 17 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.270 -0.210 19872 9321 1 17 . 1 1 147 147 LEU C C 147 177.700 177.700 178.574 -0.874 19872 9322 1 17 . 1 1 147 147 LEU CA C 147 55.100 55.100 55.100 -0.000 19872 9323 1 17 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.537 -1.137 19872 9324 1 17 . 1 1 148 148 LEU N N 148 120.100 120.100 121.502 -1.402 19872 9325 1 17 . 1 1 148 148 LEU HA H 148 4.180 4.180 3.929 0.251 19872 9326 1 17 . 1 1 148 148 LEU C C 148 176.500 176.500 177.782 -1.282 19872 9327 1 17 . 1 1 148 148 LEU CA C 148 54.700 54.700 58.167 -3.467 19872 9328 1 17 . 1 1 148 148 LEU CB C 148 42.000 42.000 42.176 -0.176 19872 9329 1 17 . 1 1 149 149 ASP N N 149 121.900 121.900 116.653 5.247 19872 9330 1 17 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.745 -0.145 19872 9331 1 17 . 1 1 149 149 ASP C C 149 174.800 174.800 175.997 -1.197 19872 9332 1 17 . 1 1 149 149 ASP CA C 149 53.900 53.900 53.864 0.036 19872 9333 1 17 . 1 1 149 149 ASP CB C 149 40.600 40.600 40.864 -0.264 19872 9334 1 18 . 1 1 2 2 SER HA H 2 4.360 4.360 4.548 -0.188 19872 9335 1 18 . 1 1 2 2 SER C C 2 173.800 173.800 173.049 0.751 19872 9336 1 18 . 1 1 2 2 SER CA C 2 58.000 58.000 57.886 0.114 19872 9337 1 18 . 1 1 2 2 SER CB C 2 63.100 63.100 65.180 -2.080 19872 9338 1 18 . 1 1 3 3 PHE N N 3 122.000 122.000 121.665 0.335 19872 9339 1 18 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.785 -0.175 19872 9340 1 18 . 1 1 3 3 PHE C C 3 175.300 175.300 175.471 -0.171 19872 9341 1 18 . 1 1 3 3 PHE CA C 3 57.300 57.300 56.792 0.508 19872 9342 1 18 . 1 1 3 3 PHE CB C 3 39.300 39.300 39.495 -0.195 19872 9343 1 18 . 1 1 4 4 THR N N 4 116.900 116.900 114.037 2.863 19872 9344 1 18 . 1 1 4 4 THR HA H 4 4.180 4.180 4.008 0.172 19872 9345 1 18 . 1 1 4 4 THR C C 4 173.800 173.800 173.915 -0.115 19872 9346 1 18 . 1 1 4 4 THR CA C 4 61.000 61.000 63.016 -2.016 19872 9347 1 18 . 1 1 4 4 THR CB C 4 69.300 69.300 68.918 0.382 19872 9348 1 18 . 1 1 36 36 ALA N N 36 123.600 123.600 121.743 1.857 19872 9349 1 18 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.631 -0.401 19872 9350 1 18 . 1 1 36 36 ALA C C 36 178.100 178.100 177.110 0.990 19872 9351 1 18 . 1 1 36 36 ALA CA C 36 52.000 52.000 52.409 -0.409 19872 9352 1 18 . 1 1 36 36 ALA CB C 36 18.700 18.700 20.726 -2.026 19872 9353 1 18 . 1 1 37 37 GLY N N 37 108.200 108.200 105.400 2.800 19872 9354 1 18 . 1 1 37 37 GLY C C 37 174.500 174.500 174.051 0.449 19872 9355 1 18 . 1 1 37 37 GLY CA C 37 44.800 44.800 44.817 -0.017 19872 9356 1 18 . 1 1 38 38 GLY N N 38 108.200 108.200 108.637 -0.437 19872 9357 1 18 . 1 1 38 38 GLY C C 38 174.500 174.500 173.809 0.691 19872 9358 1 18 . 1 1 38 38 GLY CA C 38 44.700 44.700 44.830 -0.130 19872 9359 1 18 . 1 1 39 39 GLY N N 39 108.600 108.600 109.176 -0.576 19872 9360 1 18 . 1 1 39 39 GLY C C 39 174.100 174.100 175.244 -1.144 19872 9361 1 18 . 1 1 39 39 GLY CA C 39 44.800 44.800 44.668 0.132 19872 9362 1 18 . 1 1 40 40 GLY N N 40 107.700 107.700 108.420 -0.720 19872 9363 1 18 . 1 1 40 40 GLY C C 40 174.100 174.100 174.199 -0.099 19872 9364 1 18 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.475 0.225 19872 9365 1 18 . 1 1 41 41 SER N N 41 115.700 115.700 113.812 1.888 19872 9366 1 18 . 1 1 41 41 SER HA H 41 4.220 4.220 4.058 0.162 19872 9367 1 18 . 1 1 41 41 SER C C 41 174.800 174.800 174.977 -0.177 19872 9368 1 18 . 1 1 41 41 SER CA C 41 58.400 58.400 58.569 -0.169 19872 9369 1 18 . 1 1 41 41 SER CB C 41 63.100 63.100 63.260 -0.160 19872 9370 1 18 . 1 1 42 42 ALA N N 42 124.700 124.700 124.994 -0.294 19872 9371 1 18 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.171 -0.221 19872 9372 1 18 . 1 1 42 42 ALA C C 42 178.800 178.800 179.209 -0.409 19872 9373 1 18 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.266 -0.566 19872 9374 1 18 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.946 -1.246 19872 9375 1 18 . 1 1 43 43 GLU N N 43 116.700 116.700 116.863 -0.163 19872 9376 1 18 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.028 -0.078 19872 9377 1 18 . 1 1 43 43 GLU C C 43 178.800 178.800 178.235 0.565 19872 9378 1 18 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.606 -0.106 19872 9379 1 18 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.751 -0.151 19872 9380 1 18 . 1 1 44 44 GLN N N 44 119.400 119.400 119.367 0.033 19872 9381 1 18 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.174 -0.204 19872 9382 1 18 . 1 1 44 44 GLN C C 44 178.200 178.200 177.939 0.261 19872 9383 1 18 . 1 1 44 44 GLN CA C 44 57.600 57.600 58.016 -0.416 19872 9384 1 18 . 1 1 44 44 GLN CB C 44 28.100 28.100 29.060 -0.960 19872 9385 1 18 . 1 1 45 45 LEU N N 45 121.700 121.700 120.928 0.772 19872 9386 1 18 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.647 -0.077 19872 9387 1 18 . 1 1 45 45 LEU C C 45 177.300 177.300 178.590 -1.290 19872 9388 1 18 . 1 1 45 45 LEU CA C 45 56.500 56.500 57.673 -1.173 19872 9389 1 18 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.198 -0.698 19872 9390 1 18 . 1 1 46 46 ASP N N 46 118.000 118.000 119.531 -1.531 19872 9391 1 18 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.236 -0.206 19872 9392 1 18 . 1 1 46 46 ASP C C 46 176.800 176.800 177.719 -0.919 19872 9393 1 18 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.298 -0.698 19872 9394 1 18 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.619 0.981 19872 9395 1 18 . 1 1 47 47 ALA N N 47 116.100 116.100 120.865 -4.765 19872 9396 1 18 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.093 -0.203 19872 9397 1 18 . 1 1 47 47 ALA C C 47 180.300 180.300 178.827 1.473 19872 9398 1 18 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.242 -0.242 19872 9399 1 18 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.597 -1.197 19872 9400 1 18 . 1 1 48 48 LEU N N 48 117.800 117.800 118.223 -0.423 19872 9401 1 18 . 1 1 48 48 LEU HA H 48 3.840 3.840 4.005 -0.165 19872 9402 1 18 . 1 1 48 48 LEU C C 48 180.100 180.100 179.045 1.055 19872 9403 1 18 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.248 0.152 19872 9404 1 18 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.674 -0.774 19872 9405 1 18 . 1 1 49 49 VAL N N 49 112.100 112.100 114.016 -1.916 19872 9406 1 18 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.754 0.126 19872 9407 1 18 . 1 1 49 49 VAL C C 49 176.000 176.000 177.490 -1.490 19872 9408 1 18 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.257 -1.057 19872 9409 1 18 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.237 -0.237 19872 9410 1 18 . 1 1 50 50 LYS N N 50 115.400 115.400 118.478 -3.078 19872 9411 1 18 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.219 -0.059 19872 9412 1 18 . 1 1 50 50 LYS C C 50 177.900 177.900 177.409 0.491 19872 9413 1 18 . 1 1 50 50 LYS CA C 50 56.200 56.200 56.530 -0.330 19872 9414 1 18 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.679 0.721 19872 9415 1 18 . 1 1 51 51 LYS N N 51 119.000 119.000 118.316 0.684 19872 9416 1 18 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.124 -0.204 19872 9417 1 18 . 1 1 51 51 LYS C C 51 174.700 174.700 176.737 -2.037 19872 9418 1 18 . 1 1 51 51 LYS CA C 51 58.000 58.000 58.008 -0.008 19872 9419 1 18 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.762 -0.462 19872 9420 1 18 . 1 1 52 52 ASP N N 52 113.400 113.400 115.992 -2.592 19872 9421 1 18 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.794 0.196 19872 9422 1 18 . 1 1 52 52 ASP C C 52 174.400 174.400 174.694 -0.294 19872 9423 1 18 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.773 -0.973 19872 9424 1 18 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.808 1.792 19872 9425 1 18 . 1 1 53 53 LYS N N 53 119.500 119.500 118.158 1.342 19872 9426 1 18 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.482 -0.472 19872 9427 1 18 . 1 1 53 53 LYS C C 53 176.100 176.100 176.407 -0.307 19872 9428 1 18 . 1 1 53 53 LYS CA C 53 59.800 59.800 56.861 2.939 19872 9429 1 18 . 1 1 53 53 LYS CB C 53 32.600 32.600 33.028 -0.428 19872 9430 1 18 . 1 1 54 54 VAL N N 54 117.700 117.700 119.363 -1.663 19872 9431 1 18 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.742 -0.122 19872 9432 1 18 . 1 1 54 54 VAL C C 54 173.700 173.700 174.121 -0.421 19872 9433 1 18 . 1 1 54 54 VAL CA C 54 60.900 60.900 60.960 -0.060 19872 9434 1 18 . 1 1 54 54 VAL CB C 54 32.300 32.300 31.970 0.330 19872 9435 1 18 . 1 1 55 55 VAL N N 55 127.100 127.100 126.945 0.155 19872 9436 1 18 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.635 0.315 19872 9437 1 18 . 1 1 55 55 VAL C C 55 174.400 174.400 175.258 -0.858 19872 9438 1 18 . 1 1 55 55 VAL CA C 55 60.600 60.600 61.255 -0.655 19872 9439 1 18 . 1 1 55 55 VAL CB C 55 35.200 35.200 31.536 3.664 19872 9440 1 18 . 1 1 56 56 VAL N N 56 119.700 119.700 128.064 -8.364 19872 9441 1 18 . 1 1 56 56 VAL HA H 56 5.440 5.440 4.901 0.539 19872 9442 1 18 . 1 1 56 56 VAL C C 56 173.400 173.400 174.628 -1.228 19872 9443 1 18 . 1 1 56 56 VAL CA C 56 58.000 58.000 61.108 -3.108 19872 9444 1 18 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.400 0.400 19872 9445 1 18 . 1 1 57 57 PHE N N 57 122.400 122.400 124.475 -2.075 19872 9446 1 18 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.103 0.107 19872 9447 1 18 . 1 1 57 57 PHE C C 57 174.800 174.800 174.106 0.694 19872 9448 1 18 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.408 -1.008 19872 9449 1 18 . 1 1 57 57 PHE CB C 57 40.700 40.700 40.968 -0.268 19872 9450 1 18 . 1 1 58 58 LEU N N 58 120.500 120.500 120.525 -0.025 19872 9451 1 18 . 1 1 58 58 LEU HA H 58 4.700 4.700 4.984 -0.284 19872 9452 1 18 . 1 1 58 58 LEU C C 58 175.500 175.500 175.150 0.350 19872 9453 1 18 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.821 -0.821 19872 9454 1 18 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.191 -0.091 19872 9455 1 18 . 1 1 59 59 LYS N N 59 117.800 117.800 119.316 -1.516 19872 9456 1 18 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.495 -0.145 19872 9457 1 18 . 1 1 59 59 LYS C C 59 175.200 175.200 175.795 -0.595 19872 9458 1 18 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.273 -0.173 19872 9459 1 18 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.564 0.736 19872 9460 1 18 . 1 1 60 60 GLY N N 60 114.800 114.800 109.678 5.122 19872 9461 1 18 . 1 1 60 60 GLY C C 60 170.300 170.300 172.422 -2.122 19872 9462 1 18 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.641 -1.740 19872 9463 1 18 . 1 1 61 61 THR N N 61 107.800 107.800 110.470 -2.670 19872 9464 1 18 . 1 1 61 61 THR HA H 61 4.740 4.740 5.076 -0.336 19872 9465 1 18 . 1 1 61 61 THR C C 61 173.100 173.100 173.512 -0.412 19872 9466 1 18 . 1 1 61 61 THR CA C 61 57.400 57.400 58.000 -0.600 19872 9467 1 18 . 1 1 61 61 THR CB C 61 68.800 68.800 70.747 -1.947 19872 9468 1 18 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.467 -0.497 19872 9469 1 18 . 1 1 62 62 PRO C C 62 177.200 177.200 177.394 -0.194 19872 9470 1 18 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.922 -0.022 19872 9471 1 18 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.157 -1.057 19872 9472 1 18 . 1 1 63 63 GLU N N 63 111.900 111.900 116.543 -4.643 19872 9473 1 18 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.325 -0.385 19872 9474 1 18 . 1 1 63 63 GLU C C 63 176.500 176.500 177.016 -0.516 19872 9475 1 18 . 1 1 63 63 GLU CA C 63 58.100 58.100 56.873 1.227 19872 9476 1 18 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.467 -0.267 19872 9477 1 18 . 1 1 64 64 GLN N N 64 117.700 117.700 119.773 -2.073 19872 9478 1 18 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.848 -0.368 19872 9479 1 18 . 1 1 64 64 GLN C C 64 171.500 171.500 173.466 -1.966 19872 9480 1 18 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.371 0.029 19872 9481 1 18 . 1 1 64 64 GLN CB C 64 29.100 29.100 29.453 -0.353 19872 9482 1 18 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.563 -0.013 19872 9483 1 18 . 1 1 65 65 PRO C C 65 177.900 177.900 177.105 0.795 19872 9484 1 18 . 1 1 65 65 PRO CA C 65 63.000 63.000 63.219 -0.219 19872 9485 1 18 . 1 1 65 65 PRO CB C 65 31.700 31.700 32.409 -0.709 19872 9486 1 18 . 1 1 66 66 GLN N N 66 119.700 119.700 123.835 -4.135 19872 9487 1 18 . 1 1 66 66 GLN HA H 66 4.500 4.500 4.130 0.370 19872 9488 1 18 . 1 1 66 66 GLN C C 66 174.400 174.400 175.551 -1.151 19872 9489 1 18 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.684 -3.084 19872 9490 1 18 . 1 1 66 66 GLN CB C 66 29.100 29.100 29.073 0.027 19872 9491 1 18 . 1 1 67 67 CYS N N 67 116.700 116.700 115.315 1.385 19872 9492 1 18 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.746 -0.046 19872 9493 1 18 . 1 1 67 67 CYS C C 67 176.500 176.500 176.077 0.423 19872 9494 1 18 . 1 1 67 67 CYS CA C 67 58.700 58.700 56.981 1.719 19872 9495 1 18 . 1 1 67 67 CYS CB C 67 32.800 32.800 30.050 2.750 19872 9496 1 18 . 1 1 68 68 GLY C C 68 176.500 176.500 175.910 0.590 19872 9497 1 18 . 1 1 68 68 GLY CA C 68 45.900 45.900 47.882 -1.982 19872 9498 1 18 . 1 1 69 69 PHE N N 69 125.800 125.800 120.576 5.224 19872 9499 1 18 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.445 0.265 19872 9500 1 18 . 1 1 69 69 PHE C C 69 178.300 178.300 177.710 0.590 19872 9501 1 18 . 1 1 69 69 PHE CA C 69 59.900 59.900 59.680 0.220 19872 9502 1 18 . 1 1 69 69 PHE CB C 69 37.900 37.900 38.675 -0.775 19872 9503 1 18 . 1 1 70 70 SER N N 70 124.200 124.200 114.695 9.505 19872 9504 1 18 . 1 1 70 70 SER HA H 70 3.980 3.980 4.144 -0.164 19872 9505 1 18 . 1 1 70 70 SER CA C 70 63.800 63.800 61.866 1.934 19872 9506 1 18 . 1 1 70 70 SER CB C 70 62.000 62.000 62.613 -0.613 19872 9507 1 18 . 1 1 71 71 ASN N N 71 118.500 118.500 121.195 -2.695 19872 9508 1 18 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.566 -0.416 19872 9509 1 18 . 1 1 71 71 ASN C C 71 175.800 175.800 176.705 -0.905 19872 9510 1 18 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.797 0.604 19872 9511 1 18 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.596 0.204 19872 9512 1 18 . 1 1 72 72 ALA N N 72 119.900 119.900 122.657 -2.757 19872 9513 1 18 . 1 1 72 72 ALA HA H 72 3.980 3.980 3.913 0.067 19872 9514 1 18 . 1 1 72 72 ALA C C 72 179.700 179.700 179.570 0.130 19872 9515 1 18 . 1 1 72 72 ALA CA C 72 54.800 54.800 55.199 -0.399 19872 9516 1 18 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.063 -0.363 19872 9517 1 18 . 1 1 73 73 VAL N N 73 115.700 115.700 114.559 1.141 19872 9518 1 18 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.672 -0.332 19872 9519 1 18 . 1 1 73 73 VAL C C 73 176.300 176.300 177.396 -1.096 19872 9520 1 18 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.835 0.365 19872 9521 1 18 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.603 -0.503 19872 9522 1 18 . 1 1 74 74 VAL N N 74 118.100 118.100 120.936 -2.836 19872 9523 1 18 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.502 -0.172 19872 9524 1 18 . 1 1 74 74 VAL C C 74 178.800 178.800 177.956 0.844 19872 9525 1 18 . 1 1 74 74 VAL CA C 74 66.100 66.100 66.128 -0.028 19872 9526 1 18 . 1 1 74 74 VAL CB C 74 31.100 31.100 31.220 -0.120 19872 9527 1 18 . 1 1 75 75 GLN N N 75 119.000 119.000 119.815 -0.815 19872 9528 1 18 . 1 1 75 75 GLN HA H 75 3.910 3.910 3.970 -0.060 19872 9529 1 18 . 1 1 75 75 GLN C C 75 178.500 178.500 178.675 -0.175 19872 9530 1 18 . 1 1 75 75 GLN CA C 75 57.900 57.900 59.029 -1.129 19872 9531 1 18 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.218 -1.118 19872 9532 1 18 . 1 1 76 76 ILE N N 76 120.600 120.600 120.333 0.267 19872 9533 1 18 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.419 -0.099 19872 9534 1 18 . 1 1 76 76 ILE C C 76 177.600 177.600 178.379 -0.779 19872 9535 1 18 . 1 1 76 76 ILE CA C 76 64.700 64.700 65.210 -0.510 19872 9536 1 18 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.567 -0.667 19872 9537 1 18 . 1 1 77 77 LEU N N 77 117.800 117.800 119.596 -1.796 19872 9538 1 18 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.974 -0.244 19872 9539 1 18 . 1 1 77 77 LEU C C 77 178.400 178.400 179.187 -0.787 19872 9540 1 18 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.374 -0.274 19872 9541 1 18 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.615 -2.215 19872 9542 1 18 . 1 1 78 78 ARG N N 78 118.800 118.800 119.406 -0.606 19872 9543 1 18 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.267 -0.187 19872 9544 1 18 . 1 1 78 78 ARG C C 78 180.800 180.800 179.451 1.349 19872 9545 1 18 . 1 1 78 78 ARG CA C 78 58.900 58.900 59.014 -0.114 19872 9546 1 18 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.746 -0.446 19872 9547 1 18 . 1 1 79 79 LEU N N 79 123.200 123.200 122.174 1.026 19872 9548 1 18 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.036 -0.146 19872 9549 1 18 . 1 1 79 79 LEU C C 79 178.200 178.200 178.623 -0.423 19872 9550 1 18 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.642 -0.142 19872 9551 1 18 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.813 -0.313 19872 9552 1 18 . 1 1 80 80 HIS N N 80 112.200 112.200 114.783 -2.583 19872 9553 1 18 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.589 -0.489 19872 9554 1 18 . 1 1 80 80 HIS C C 80 176.000 176.000 176.608 -0.608 19872 9555 1 18 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.409 0.591 19872 9556 1 18 . 1 1 80 80 HIS CB C 80 31.700 31.700 29.814 1.887 19872 9557 1 18 . 1 1 81 81 GLY N N 81 111.700 111.700 107.796 3.904 19872 9558 1 18 . 1 1 81 81 GLY C C 81 174.000 174.000 174.186 -0.186 19872 9559 1 18 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.598 0.002 19872 9560 1 18 . 1 1 82 82 VAL N N 82 120.400 120.400 122.811 -2.411 19872 9561 1 18 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.258 -0.448 19872 9562 1 18 . 1 1 82 82 VAL C C 82 174.800 174.800 175.620 -0.820 19872 9563 1 18 . 1 1 82 82 VAL CA C 82 62.200 62.200 61.911 0.289 19872 9564 1 18 . 1 1 82 82 VAL CB C 82 29.700 29.700 31.719 -2.019 19872 9565 1 18 . 1 1 83 83 ARG N N 83 126.600 126.600 124.787 1.813 19872 9566 1 18 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.447 -0.087 19872 9567 1 18 . 1 1 83 83 ARG C C 83 176.000 176.000 175.469 0.531 19872 9568 1 18 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.785 -0.185 19872 9569 1 18 . 1 1 83 83 ARG CB C 83 31.100 31.100 30.719 0.381 19872 9570 1 18 . 1 1 84 84 ASP N N 84 118.400 118.400 118.503 -0.103 19872 9571 1 18 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.554 -0.004 19872 9572 1 18 . 1 1 84 84 ASP C C 84 174.200 174.200 175.497 -1.297 19872 9573 1 18 . 1 1 84 84 ASP CA C 84 53.000 53.000 53.724 -0.723 19872 9574 1 18 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.489 -0.489 19872 9575 1 18 . 1 1 85 85 TYR N N 85 116.200 116.200 117.885 -1.685 19872 9576 1 18 . 1 1 85 85 TYR HA H 85 4.750 4.750 5.046 -0.296 19872 9577 1 18 . 1 1 85 85 TYR C C 85 173.100 173.100 175.527 -2.427 19872 9578 1 18 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.390 -1.390 19872 9579 1 18 . 1 1 85 85 TYR CB C 85 39.200 39.200 39.101 0.099 19872 9580 1 18 . 1 1 86 86 ALA N N 86 125.000 125.000 123.381 1.619 19872 9581 1 18 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.667 -0.447 19872 9582 1 18 . 1 1 86 86 ALA C C 86 174.300 174.300 175.812 -1.512 19872 9583 1 18 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.688 0.112 19872 9584 1 18 . 1 1 86 86 ALA CB C 86 20.400 20.400 20.344 0.056 19872 9585 1 18 . 1 1 87 87 ALA N N 87 124.400 124.400 129.019 -4.619 19872 9586 1 18 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.656 0.514 19872 9587 1 18 . 1 1 87 87 ALA C C 87 175.400 175.400 176.120 -0.720 19872 9588 1 18 . 1 1 87 87 ALA CA C 87 48.900 48.900 51.008 -2.108 19872 9589 1 18 . 1 1 87 87 ALA CB C 87 21.400 21.400 19.000 2.400 19872 9590 1 18 . 1 1 88 88 TYR N N 88 121.100 121.100 123.732 -2.632 19872 9591 1 18 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.221 0.269 19872 9592 1 18 . 1 1 88 88 TYR C C 88 174.100 174.100 175.007 -0.907 19872 9593 1 18 . 1 1 88 88 TYR CA C 88 56.900 56.900 58.156 -1.256 19872 9594 1 18 . 1 1 88 88 TYR CB C 88 40.200 40.200 39.006 1.194 19872 9595 1 18 . 1 1 89 89 ASN N N 89 122.300 122.300 123.811 -1.511 19872 9596 1 18 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.230 -0.040 19872 9597 1 18 . 1 1 89 89 ASN C C 89 178.000 178.000 176.122 1.878 19872 9598 1 18 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.712 -1.912 19872 9599 1 18 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.795 -0.795 19872 9600 1 18 . 1 1 90 90 VAL N N 90 117.900 117.900 120.251 -2.351 19872 9601 1 18 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.182 -0.002 19872 9602 1 18 . 1 1 90 90 VAL C C 90 176.700 176.700 175.874 0.826 19872 9603 1 18 . 1 1 90 90 VAL CA C 90 62.200 62.200 63.266 -1.066 19872 9604 1 18 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.761 -1.260 19872 9605 1 18 . 1 1 91 91 LEU N N 91 118.900 118.900 120.649 -1.749 19872 9606 1 18 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.045 0.015 19872 9607 1 18 . 1 1 91 91 LEU C C 91 177.500 177.500 178.286 -0.786 19872 9608 1 18 . 1 1 91 91 LEU CA C 91 56.000 56.000 57.114 -1.114 19872 9609 1 18 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.680 -1.280 19872 9610 1 18 . 1 1 92 92 ASP N N 92 115.500 115.500 117.950 -2.450 19872 9611 1 18 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.592 0.078 19872 9612 1 18 . 1 1 92 92 ASP C C 92 175.500 175.500 176.683 -1.183 19872 9613 1 18 . 1 1 92 92 ASP CA C 92 54.100 54.100 55.982 -1.882 19872 9614 1 18 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.622 -0.622 19872 9615 1 18 . 1 1 93 93 ASP N N 93 115.000 115.000 119.750 -4.750 19872 9616 1 18 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.127 -0.097 19872 9617 1 18 . 1 1 93 93 ASP C C 93 172.800 172.800 175.349 -2.549 19872 9618 1 18 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.931 -1.431 19872 9619 1 18 . 1 1 93 93 ASP CB C 93 41.900 41.900 41.695 0.205 19872 9620 1 18 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.392 -0.122 19872 9621 1 18 . 1 1 94 94 PRO C C 94 179.300 179.300 178.116 1.184 19872 9622 1 18 . 1 1 94 94 PRO CA C 94 64.100 64.100 64.745 -0.645 19872 9623 1 18 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.426 -0.626 19872 9624 1 18 . 1 1 95 95 GLU N N 95 118.600 118.600 119.299 -0.699 19872 9625 1 18 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.105 -0.065 19872 9626 1 18 . 1 1 95 95 GLU C C 95 179.500 179.500 178.970 0.530 19872 9627 1 18 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.328 -0.728 19872 9628 1 18 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.369 0.231 19872 9629 1 18 . 1 1 96 96 LEU N N 96 123.800 123.800 120.408 3.392 19872 9630 1 18 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.074 -0.184 19872 9631 1 18 . 1 1 96 96 LEU C C 96 177.200 177.200 178.998 -1.798 19872 9632 1 18 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.401 -0.301 19872 9633 1 18 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.784 -0.484 19872 9634 1 18 . 1 1 97 97 ARG N N 97 117.900 117.900 119.414 -1.514 19872 9635 1 18 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.939 -0.399 19872 9636 1 18 . 1 1 97 97 ARG C C 97 176.400 176.400 178.364 -1.964 19872 9637 1 18 . 1 1 97 97 ARG CA C 97 59.900 59.900 59.957 -0.057 19872 9638 1 18 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.003 0.397 19872 9639 1 18 . 1 1 98 98 GLN N N 98 114.400 114.400 118.404 -4.004 19872 9640 1 18 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.085 -0.265 19872 9641 1 18 . 1 1 98 98 GLN C C 98 177.500 177.500 178.325 -0.825 19872 9642 1 18 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.946 -2.046 19872 9643 1 18 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.550 -0.550 19872 9644 1 18 . 1 1 99 99 GLY N N 99 107.700 107.700 108.366 -0.666 19872 9645 1 18 . 1 1 99 99 GLY C C 99 176.700 176.700 176.100 0.600 19872 9646 1 18 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.335 -0.835 19872 9647 1 18 . 1 1 100 100 ILE N N 100 120.900 120.900 122.029 -1.129 19872 9648 1 18 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.921 0.059 19872 9649 1 18 . 1 1 100 100 ILE C C 100 176.800 176.800 177.485 -0.685 19872 9650 1 18 . 1 1 100 100 ILE CA C 100 60.500 60.500 61.221 -0.721 19872 9651 1 18 . 1 1 100 100 ILE CB C 100 37.500 37.500 37.925 -0.425 19872 9652 1 18 . 1 1 101 101 LYS N N 101 124.600 124.600 121.255 3.345 19872 9653 1 18 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.336 -0.256 19872 9654 1 18 . 1 1 101 101 LYS C C 101 178.900 178.900 178.784 0.116 19872 9655 1 18 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.892 -1.192 19872 9656 1 18 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.279 -0.479 19872 9657 1 18 . 1 1 102 102 ASP N N 102 118.700 118.700 118.688 0.012 19872 9658 1 18 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.487 -0.237 19872 9659 1 18 . 1 1 102 102 ASP C C 102 177.700 177.700 178.990 -1.290 19872 9660 1 18 . 1 1 102 102 ASP CA C 102 56.200 56.200 57.268 -1.068 19872 9661 1 18 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.193 -1.493 19872 9662 1 18 . 1 1 103 103 TYR N N 103 120.300 120.300 120.205 0.095 19872 9663 1 18 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.117 -0.057 19872 9664 1 18 . 1 1 103 103 TYR C C 103 176.600 176.600 177.367 -0.767 19872 9665 1 18 . 1 1 103 103 TYR CA C 103 60.500 60.500 61.100 -0.600 19872 9666 1 18 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.958 0.942 19872 9667 1 18 . 1 1 104 104 SER N N 104 110.900 110.900 112.870 -1.970 19872 9668 1 18 . 1 1 104 104 SER HA H 104 3.900 3.900 4.136 -0.236 19872 9669 1 18 . 1 1 104 104 SER C C 104 174.600 174.600 175.023 -0.423 19872 9670 1 18 . 1 1 104 104 SER CA C 104 57.700 57.700 58.841 -1.141 19872 9671 1 18 . 1 1 104 104 SER CB C 104 63.900 63.900 64.017 -0.117 19872 9672 1 18 . 1 1 105 105 ASN N N 105 117.900 117.900 117.746 0.154 19872 9673 1 18 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.583 -0.383 19872 9674 1 18 . 1 1 105 105 ASN C C 105 173.200 173.200 174.694 -1.494 19872 9675 1 18 . 1 1 105 105 ASN CA C 105 53.800 53.800 54.942 -1.142 19872 9676 1 18 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.313 -1.113 19872 9677 1 18 . 1 1 106 106 TRP N N 106 120.600 120.600 118.779 1.821 19872 9678 1 18 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.067 0.013 19872 9679 1 18 . 1 1 106 106 TRP C C 106 175.400 175.400 175.150 0.250 19872 9680 1 18 . 1 1 106 106 TRP CA C 106 53.500 53.500 54.900 -1.400 19872 9681 1 18 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.042 -0.042 19872 9682 1 18 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.408 -0.238 19872 9683 1 18 . 1 1 107 107 PRO C C 107 175.900 175.900 176.377 -0.477 19872 9684 1 18 . 1 1 107 107 PRO CA C 107 63.700 63.700 64.404 -0.704 19872 9685 1 18 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.233 -0.633 19872 9686 1 18 . 1 1 108 108 THR N N 108 110.500 110.500 113.154 -2.654 19872 9687 1 18 . 1 1 108 108 THR HA H 108 4.300 4.300 4.533 -0.233 19872 9688 1 18 . 1 1 108 108 THR C C 108 171.400 171.400 173.445 -2.045 19872 9689 1 18 . 1 1 108 108 THR CA C 108 60.400 60.400 61.761 -1.361 19872 9690 1 18 . 1 1 108 108 THR CB C 108 70.400 70.400 69.043 1.357 19872 9691 1 18 . 1 1 109 109 ILE N N 109 123.100 123.100 124.047 -0.947 19872 9692 1 18 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.523 -0.263 19872 9693 1 18 . 1 1 109 109 ILE C C 109 175.000 175.000 173.829 1.171 19872 9694 1 18 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.230 -1.330 19872 9695 1 18 . 1 1 109 109 ILE CB C 109 40.100 40.100 40.546 -0.446 19872 9696 1 18 . 1 1 110 110 PRO HA H 110 5.340 5.340 4.797 0.543 19872 9697 1 18 . 1 1 110 110 PRO C C 110 175.600 175.600 175.671 -0.071 19872 9698 1 18 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.582 -1.082 19872 9699 1 18 . 1 1 110 110 PRO CB C 110 37.500 37.500 32.959 4.541 19872 9700 1 18 . 1 1 111 111 GLN N N 111 114.700 114.700 118.473 -3.773 19872 9701 1 18 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.113 -0.183 19872 9702 1 18 . 1 1 111 111 GLN C C 111 174.100 174.100 174.632 -0.532 19872 9703 1 18 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.141 1.259 19872 9704 1 18 . 1 1 111 111 GLN CB C 111 33.900 33.900 33.027 0.873 19872 9705 1 18 . 1 1 112 112 VAL N N 112 121.000 121.000 118.727 2.273 19872 9706 1 18 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.164 -0.384 19872 9707 1 18 . 1 1 112 112 VAL C C 112 172.300 172.300 173.692 -1.392 19872 9708 1 18 . 1 1 112 112 VAL CA C 112 61.200 61.200 59.760 1.440 19872 9709 1 18 . 1 1 112 112 VAL CB C 112 33.500 33.500 36.041 -2.541 19872 9710 1 18 . 1 1 113 113 TYR N N 113 128.400 128.400 122.979 5.421 19872 9711 1 18 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.153 -0.183 19872 9712 1 18 . 1 1 113 113 TYR C C 113 173.800 173.800 174.391 -0.591 19872 9713 1 18 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.639 0.061 19872 9714 1 18 . 1 1 113 113 TYR CB C 113 41.000 41.000 41.667 -0.667 19872 9715 1 18 . 1 1 114 114 LEU N N 114 117.900 117.900 123.747 -5.847 19872 9716 1 18 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.185 0.145 19872 9717 1 18 . 1 1 114 114 LEU C C 114 178.300 178.300 177.595 0.705 19872 9718 1 18 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.805 -1.705 19872 9719 1 18 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.046 0.254 19872 9720 1 18 . 1 1 115 115 ASN N N 115 125.000 125.000 123.831 1.169 19872 9721 1 18 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.445 0.055 19872 9722 1 18 . 1 1 115 115 ASN C C 115 175.500 175.500 175.712 -0.212 19872 9723 1 18 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.219 -1.519 19872 9724 1 18 . 1 1 115 115 ASN CB C 115 38.700 38.700 38.025 0.675 19872 9725 1 18 . 1 1 116 116 GLY N N 116 105.000 105.000 102.594 2.406 19872 9726 1 18 . 1 1 116 116 GLY C C 116 172.900 172.900 173.261 -0.361 19872 9727 1 18 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.539 -0.439 19872 9728 1 18 . 1 1 117 117 GLU N N 117 118.900 118.900 119.929 -1.029 19872 9729 1 18 . 1 1 117 117 GLU HA H 117 4.750 4.750 5.101 -0.351 19872 9730 1 18 . 1 1 117 117 GLU C C 117 174.700 174.700 175.084 -0.384 19872 9731 1 18 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.278 -0.278 19872 9732 1 18 . 1 1 117 117 GLU CB C 117 31.600 31.600 33.020 -1.420 19872 9733 1 18 . 1 1 118 118 PHE N N 118 124.400 124.400 124.299 0.101 19872 9734 1 18 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.412 -1.222 19872 9735 1 18 . 1 1 118 118 PHE C C 118 175.500 175.500 175.314 0.186 19872 9736 1 18 . 1 1 118 118 PHE CA C 118 57.500 57.500 57.115 0.385 19872 9737 1 18 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.837 -1.737 19872 9738 1 18 . 1 1 119 119 VAL N N 119 126.900 126.900 122.022 4.878 19872 9739 1 18 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.325 -0.615 19872 9740 1 18 . 1 1 119 119 VAL C C 119 174.200 174.200 175.259 -1.059 19872 9741 1 18 . 1 1 119 119 VAL CA C 119 61.900 61.900 61.811 0.089 19872 9742 1 18 . 1 1 119 119 VAL CB C 119 32.400 32.400 33.484 -1.084 19872 9743 1 18 . 1 1 120 120 GLY N N 120 101.400 101.400 108.045 -6.645 19872 9744 1 18 . 1 1 120 120 GLY CA C 120 44.100 44.100 44.493 -0.393 19872 9745 1 18 . 1 1 121 121 GLY N N 121 106.300 106.300 106.333 -0.033 19872 9746 1 18 . 1 1 121 121 GLY C C 121 173.100 173.100 175.250 -2.150 19872 9747 1 18 . 1 1 121 121 GLY CA C 121 43.200 43.200 44.002 -0.802 19872 9748 1 18 . 1 1 122 122 CYS N N 122 119.400 119.400 119.712 -0.312 19872 9749 1 18 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.061 -0.401 19872 9750 1 18 . 1 1 122 122 CYS C C 122 174.800 174.800 176.339 -1.539 19872 9751 1 18 . 1 1 122 122 CYS CA C 122 61.800 61.800 62.046 -0.246 19872 9752 1 18 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.722 -0.122 19872 9753 1 18 . 1 1 123 123 ASP N N 123 117.700 117.700 118.660 -0.960 19872 9754 1 18 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.544 -0.304 19872 9755 1 18 . 1 1 123 123 ASP C C 123 179.100 179.100 177.238 1.862 19872 9756 1 18 . 1 1 123 123 ASP CA C 123 57.700 57.700 56.876 0.824 19872 9757 1 18 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.874 -1.674 19872 9758 1 18 . 1 1 124 124 ILE N N 124 120.700 120.700 118.377 2.323 19872 9759 1 18 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.991 -0.271 19872 9760 1 18 . 1 1 124 124 ILE C C 124 177.200 177.200 177.704 -0.504 19872 9761 1 18 . 1 1 124 124 ILE CA C 124 63.100 63.100 61.783 1.317 19872 9762 1 18 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.813 -0.813 19872 9763 1 18 . 1 1 125 125 LEU N N 125 122.000 122.000 122.300 -0.300 19872 9764 1 18 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.982 -0.152 19872 9765 1 18 . 1 1 125 125 LEU C C 125 178.800 178.800 178.852 -0.052 19872 9766 1 18 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.563 -1.163 19872 9767 1 18 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.740 -0.940 19872 9768 1 18 . 1 1 126 126 LEU N N 126 118.200 118.200 116.594 1.606 19872 9769 1 18 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.050 -0.090 19872 9770 1 18 . 1 1 126 126 LEU C C 126 179.100 179.100 178.665 0.435 19872 9771 1 18 . 1 1 126 126 LEU CA C 126 57.800 57.800 57.118 0.682 19872 9772 1 18 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.814 -0.014 19872 9773 1 18 . 1 1 127 127 GLN N N 127 119.900 119.900 118.120 1.780 19872 9774 1 18 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.162 -0.192 19872 9775 1 18 . 1 1 127 127 GLN C C 127 178.200 178.200 178.369 -0.169 19872 9776 1 18 . 1 1 127 127 GLN CA C 127 59.000 59.000 58.079 0.921 19872 9777 1 18 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.704 -0.804 19872 9778 1 18 . 1 1 128 128 MET N N 128 117.500 117.500 118.290 -0.790 19872 9779 1 18 . 1 1 128 128 MET HA H 128 4.360 4.360 4.493 -0.133 19872 9780 1 18 . 1 1 128 128 MET C C 128 179.600 179.600 179.107 0.493 19872 9781 1 18 . 1 1 128 128 MET CA C 128 57.800 57.800 58.636 -0.837 19872 9782 1 18 . 1 1 128 128 MET CB C 128 33.500 33.500 32.726 0.774 19872 9783 1 18 . 1 1 129 129 HIS N N 129 122.300 122.300 119.879 2.421 19872 9784 1 18 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.372 -0.022 19872 9785 1 18 . 1 1 129 129 HIS C C 129 177.000 177.000 177.672 -0.672 19872 9786 1 18 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.026 -0.826 19872 9787 1 18 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.782 1.318 19872 9788 1 18 . 1 1 130 130 GLN N N 130 116.700 116.700 117.107 -0.407 19872 9789 1 18 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.121 -0.361 19872 9790 1 18 . 1 1 130 130 GLN C C 130 177.600 177.600 177.591 0.009 19872 9791 1 18 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.253 0.547 19872 9792 1 18 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.246 -0.946 19872 9793 1 18 . 1 1 131 131 ASN N N 131 114.200 114.200 117.817 -3.617 19872 9794 1 18 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.634 -0.014 19872 9795 1 18 . 1 1 131 131 ASN C C 131 176.600 176.600 176.341 0.259 19872 9796 1 18 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.838 -1.538 19872 9797 1 18 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.986 -1.986 19872 9798 1 18 . 1 1 132 132 GLY N N 132 106.600 106.600 109.211 -2.611 19872 9799 1 18 . 1 1 132 132 GLY C C 132 175.300 175.300 174.706 0.594 19872 9800 1 18 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.056 0.144 19872 9801 1 18 . 1 1 133 133 ASP N N 133 122.900 122.900 121.861 1.039 19872 9802 1 18 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.493 -0.123 19872 9803 1 18 . 1 1 133 133 ASP C C 133 178.700 178.700 177.730 0.970 19872 9804 1 18 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.549 0.151 19872 9805 1 18 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.554 -0.554 19872 9806 1 18 . 1 1 134 134 LEU N N 134 118.900 118.900 118.947 -0.047 19872 9807 1 18 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.059 -0.279 19872 9808 1 18 . 1 1 134 134 LEU C C 134 177.300 177.300 177.997 -0.697 19872 9809 1 18 . 1 1 134 134 LEU CA C 134 57.300 57.300 57.284 0.016 19872 9810 1 18 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.595 -1.595 19872 9811 1 18 . 1 1 135 135 VAL N N 135 116.600 116.600 118.652 -2.052 19872 9812 1 18 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.638 -0.238 19872 9813 1 18 . 1 1 135 135 VAL C C 135 178.300 178.300 178.275 0.025 19872 9814 1 18 . 1 1 135 135 VAL CA C 135 66.800 66.800 65.806 0.994 19872 9815 1 18 . 1 1 135 135 VAL CB C 135 31.200 31.200 30.680 0.520 19872 9816 1 18 . 1 1 136 136 GLU N N 136 118.600 118.600 119.883 -1.283 19872 9817 1 18 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.058 -0.038 19872 9818 1 18 . 1 1 136 136 GLU C C 136 178.800 178.800 179.167 -0.367 19872 9819 1 18 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.131 -1.131 19872 9820 1 18 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.745 -0.245 19872 9821 1 18 . 1 1 137 137 GLU N N 137 119.500 119.500 120.330 -0.830 19872 9822 1 18 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.137 -0.247 19872 9823 1 18 . 1 1 137 137 GLU C C 137 179.500 179.500 179.241 0.259 19872 9824 1 18 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.782 -0.782 19872 9825 1 18 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.366 -0.766 19872 9826 1 18 . 1 1 138 138 LEU N N 138 117.400 117.400 119.847 -2.447 19872 9827 1 18 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.896 -0.006 19872 9828 1 18 . 1 1 138 138 LEU C C 138 179.200 179.200 178.815 0.385 19872 9829 1 18 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.939 -0.439 19872 9830 1 18 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.781 -2.481 19872 9831 1 18 . 1 1 139 139 LYS N N 139 121.100 121.100 119.450 1.650 19872 9832 1 18 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.049 -0.199 19872 9833 1 18 . 1 1 139 139 LYS C C 139 180.900 180.900 179.787 1.113 19872 9834 1 18 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.487 0.113 19872 9835 1 18 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.147 -0.347 19872 9836 1 18 . 1 1 140 140 LYS N N 140 119.800 119.800 119.774 0.026 19872 9837 1 18 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.095 -0.155 19872 9838 1 18 . 1 1 140 140 LYS C C 140 177.600 177.600 177.722 -0.122 19872 9839 1 18 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.773 -0.073 19872 9840 1 18 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.313 -0.413 19872 9841 1 18 . 1 1 141 141 LEU N N 141 116.600 116.600 116.953 -0.353 19872 9842 1 18 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.428 -0.108 19872 9843 1 18 . 1 1 141 141 LEU C C 141 176.400 176.400 178.029 -1.629 19872 9844 1 18 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.415 -0.815 19872 9845 1 18 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.587 0.413 19872 9846 1 18 . 1 1 142 142 GLY N N 142 107.200 107.200 107.910 -0.710 19872 9847 1 18 . 1 1 142 142 GLY C C 142 173.900 173.900 174.711 -0.811 19872 9848 1 18 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.440 -0.440 19872 9849 1 18 . 1 1 143 143 ILE N N 143 121.600 121.600 121.337 0.263 19872 9850 1 18 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.029 -0.009 19872 9851 1 18 . 1 1 143 143 ILE C C 143 173.900 173.900 175.673 -1.773 19872 9852 1 18 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.430 -1.430 19872 9853 1 18 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.627 0.073 19872 9854 1 18 . 1 1 144 144 HIS N N 144 128.000 128.000 126.896 1.104 19872 9855 1 18 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.639 -0.299 19872 9856 1 18 . 1 1 144 144 HIS C C 144 173.800 173.800 174.766 -0.966 19872 9857 1 18 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.914 -1.614 19872 9858 1 18 . 1 1 144 144 HIS CB C 144 28.600 28.600 30.132 -1.532 19872 9859 1 18 . 1 1 145 145 SER N N 145 121.400 121.400 122.659 -1.259 19872 9860 1 18 . 1 1 145 145 SER HA H 145 4.470 4.470 4.550 -0.080 19872 9861 1 18 . 1 1 145 145 SER CA C 145 57.800 57.800 58.358 -0.557 19872 9862 1 18 . 1 1 145 145 SER CB C 145 62.200 62.200 64.360 -2.160 19872 9863 1 18 . 1 1 146 146 ALA N N 146 130.100 130.100 130.045 0.055 19872 9864 1 18 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.310 -0.130 19872 9865 1 18 . 1 1 146 146 ALA C C 146 178.100 178.100 178.003 0.097 19872 9866 1 18 . 1 1 146 146 ALA CA C 146 52.900 52.900 53.604 -0.704 19872 9867 1 18 . 1 1 146 146 ALA CB C 146 17.700 17.700 18.984 -1.284 19872 9868 1 18 . 1 1 147 147 LEU N N 147 117.800 117.800 117.078 0.722 19872 9869 1 18 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.368 -0.308 19872 9870 1 18 . 1 1 147 147 LEU C C 147 177.700 177.700 178.195 -0.495 19872 9871 1 18 . 1 1 147 147 LEU CA C 147 55.100 55.100 55.014 0.086 19872 9872 1 18 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.961 -1.561 19872 9873 1 18 . 1 1 148 148 LEU N N 148 120.100 120.100 121.019 -0.919 19872 9874 1 18 . 1 1 148 148 LEU HA H 148 4.180 4.180 3.992 0.188 19872 9875 1 18 . 1 1 148 148 LEU C C 148 176.500 176.500 178.062 -1.562 19872 9876 1 18 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.516 -2.816 19872 9877 1 18 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.954 0.046 19872 9878 1 18 . 1 1 149 149 ASP N N 149 121.900 121.900 117.521 4.379 19872 9879 1 18 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.637 -0.037 19872 9880 1 18 . 1 1 149 149 ASP C C 149 174.800 174.800 176.221 -1.421 19872 9881 1 18 . 1 1 149 149 ASP CA C 149 53.900 53.900 53.997 -0.097 19872 9882 1 18 . 1 1 149 149 ASP CB C 149 40.600 40.600 40.886 -0.286 19872 9883 1 19 . 1 1 2 2 SER HA H 2 4.360 4.360 4.402 -0.042 19872 9884 1 19 . 1 1 2 2 SER C C 2 173.800 173.800 173.381 0.419 19872 9885 1 19 . 1 1 2 2 SER CA C 2 58.000 58.000 57.952 0.048 19872 9886 1 19 . 1 1 2 2 SER CB C 2 63.100 63.100 64.396 -1.296 19872 9887 1 19 . 1 1 3 3 PHE N N 3 122.000 122.000 119.857 2.143 19872 9888 1 19 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.829 -0.219 19872 9889 1 19 . 1 1 3 3 PHE C C 3 175.300 175.300 175.087 0.213 19872 9890 1 19 . 1 1 3 3 PHE CA C 3 57.300 57.300 57.183 0.117 19872 9891 1 19 . 1 1 3 3 PHE CB C 3 39.300 39.300 41.045 -1.745 19872 9892 1 19 . 1 1 4 4 THR N N 4 116.900 116.900 115.537 1.363 19872 9893 1 19 . 1 1 4 4 THR HA H 4 4.180 4.180 4.695 -0.515 19872 9894 1 19 . 1 1 4 4 THR C C 4 173.800 173.800 175.287 -1.487 19872 9895 1 19 . 1 1 4 4 THR CA C 4 61.000 61.000 61.139 -0.139 19872 9896 1 19 . 1 1 4 4 THR CB C 4 69.300 69.300 70.341 -1.041 19872 9897 1 19 . 1 1 36 36 ALA N N 36 123.600 123.600 123.512 0.088 19872 9898 1 19 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.014 0.216 19872 9899 1 19 . 1 1 36 36 ALA C C 36 178.100 178.100 178.066 0.034 19872 9900 1 19 . 1 1 36 36 ALA CA C 36 52.000 52.000 53.145 -1.145 19872 9901 1 19 . 1 1 36 36 ALA CB C 36 18.700 18.700 18.053 0.647 19872 9902 1 19 . 1 1 37 37 GLY N N 37 108.200 108.200 105.918 2.282 19872 9903 1 19 . 1 1 37 37 GLY C C 37 174.500 174.500 173.816 0.684 19872 9904 1 19 . 1 1 37 37 GLY CA C 37 44.800 44.800 44.409 0.391 19872 9905 1 19 . 1 1 38 38 GLY N N 38 108.200 108.200 106.346 1.854 19872 9906 1 19 . 1 1 38 38 GLY C C 38 174.500 174.500 174.199 0.301 19872 9907 1 19 . 1 1 38 38 GLY CA C 38 44.700 44.700 45.539 -0.839 19872 9908 1 19 . 1 1 39 39 GLY N N 39 108.600 108.600 108.809 -0.209 19872 9909 1 19 . 1 1 39 39 GLY C C 39 174.100 174.100 175.049 -0.949 19872 9910 1 19 . 1 1 39 39 GLY CA C 39 44.800 44.800 44.794 0.006 19872 9911 1 19 . 1 1 40 40 GLY N N 40 107.700 107.700 107.060 0.640 19872 9912 1 19 . 1 1 40 40 GLY C C 40 174.100 174.100 173.694 0.406 19872 9913 1 19 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.538 0.162 19872 9914 1 19 . 1 1 41 41 SER N N 41 115.700 115.700 112.823 2.877 19872 9915 1 19 . 1 1 41 41 SER HA H 41 4.220 4.220 4.134 0.086 19872 9916 1 19 . 1 1 41 41 SER C C 41 174.800 174.800 175.444 -0.644 19872 9917 1 19 . 1 1 41 41 SER CA C 41 58.400 58.400 58.497 -0.097 19872 9918 1 19 . 1 1 41 41 SER CB C 41 63.100 63.100 63.798 -0.698 19872 9919 1 19 . 1 1 42 42 ALA N N 42 124.700 124.700 124.786 -0.086 19872 9920 1 19 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.240 -0.290 19872 9921 1 19 . 1 1 42 42 ALA C C 42 178.800 178.800 179.009 -0.209 19872 9922 1 19 . 1 1 42 42 ALA CA C 42 54.700 54.700 54.883 -0.183 19872 9923 1 19 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.938 -1.238 19872 9924 1 19 . 1 1 43 43 GLU N N 43 116.700 116.700 116.433 0.267 19872 9925 1 19 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.026 -0.076 19872 9926 1 19 . 1 1 43 43 GLU C C 43 178.800 178.800 178.636 0.164 19872 9927 1 19 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.242 0.258 19872 9928 1 19 . 1 1 43 43 GLU CB C 43 28.600 28.600 29.041 -0.441 19872 9929 1 19 . 1 1 44 44 GLN N N 44 119.400 119.400 120.679 -1.279 19872 9930 1 19 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.149 -0.179 19872 9931 1 19 . 1 1 44 44 GLN C C 44 178.200 178.200 177.985 0.215 19872 9932 1 19 . 1 1 44 44 GLN CA C 44 57.600 57.600 58.035 -0.435 19872 9933 1 19 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.628 -0.528 19872 9934 1 19 . 1 1 45 45 LEU N N 45 121.700 121.700 120.247 1.453 19872 9935 1 19 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.700 -0.130 19872 9936 1 19 . 1 1 45 45 LEU C C 45 177.300 177.300 178.736 -1.436 19872 9937 1 19 . 1 1 45 45 LEU CA C 45 56.500 56.500 57.673 -1.173 19872 9938 1 19 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.292 -0.792 19872 9939 1 19 . 1 1 46 46 ASP N N 46 118.000 118.000 119.457 -1.457 19872 9940 1 19 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.343 -0.313 19872 9941 1 19 . 1 1 46 46 ASP C C 46 176.800 176.800 177.813 -1.013 19872 9942 1 19 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.242 -0.642 19872 9943 1 19 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.696 0.904 19872 9944 1 19 . 1 1 47 47 ALA N N 47 116.100 116.100 120.953 -4.853 19872 9945 1 19 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.072 -0.182 19872 9946 1 19 . 1 1 47 47 ALA C C 47 180.300 180.300 178.872 1.428 19872 9947 1 19 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.469 -0.469 19872 9948 1 19 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.751 -1.351 19872 9949 1 19 . 1 1 48 48 LEU N N 48 117.800 117.800 118.748 -0.948 19872 9950 1 19 . 1 1 48 48 LEU HA H 48 3.840 3.840 3.967 -0.127 19872 9951 1 19 . 1 1 48 48 LEU C C 48 180.100 180.100 179.287 0.813 19872 9952 1 19 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.631 -0.231 19872 9953 1 19 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.496 -0.596 19872 9954 1 19 . 1 1 49 49 VAL N N 49 112.100 112.100 113.567 -1.467 19872 9955 1 19 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.858 0.022 19872 9956 1 19 . 1 1 49 49 VAL C C 49 176.000 176.000 177.364 -1.364 19872 9957 1 19 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.133 -0.933 19872 9958 1 19 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.302 -0.302 19872 9959 1 19 . 1 1 50 50 LYS N N 50 115.400 115.400 118.611 -3.211 19872 9960 1 19 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.359 -0.199 19872 9961 1 19 . 1 1 50 50 LYS C C 50 177.900 177.900 176.858 1.042 19872 9962 1 19 . 1 1 50 50 LYS CA C 50 56.200 56.200 56.106 0.094 19872 9963 1 19 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.924 0.476 19872 9964 1 19 . 1 1 51 51 LYS N N 51 119.000 119.000 118.434 0.566 19872 9965 1 19 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.007 -0.087 19872 9966 1 19 . 1 1 51 51 LYS C C 51 174.700 174.700 176.436 -1.736 19872 9967 1 19 . 1 1 51 51 LYS CA C 51 58.000 58.000 57.699 0.301 19872 9968 1 19 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.779 -0.479 19872 9969 1 19 . 1 1 52 52 ASP N N 52 113.400 113.400 116.549 -3.149 19872 9970 1 19 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.699 0.291 19872 9971 1 19 . 1 1 52 52 ASP C C 52 174.400 174.400 174.748 -0.348 19872 9972 1 19 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.736 -0.936 19872 9973 1 19 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.896 1.704 19872 9974 1 19 . 1 1 53 53 LYS N N 53 119.500 119.500 118.095 1.405 19872 9975 1 19 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.663 -0.653 19872 9976 1 19 . 1 1 53 53 LYS C C 53 176.100 176.100 176.418 -0.318 19872 9977 1 19 . 1 1 53 53 LYS CA C 53 59.800 59.800 56.963 2.837 19872 9978 1 19 . 1 1 53 53 LYS CB C 53 32.600 32.600 33.034 -0.434 19872 9979 1 19 . 1 1 54 54 VAL N N 54 117.700 117.700 119.385 -1.685 19872 9980 1 19 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.729 -0.109 19872 9981 1 19 . 1 1 54 54 VAL C C 54 173.700 173.700 174.253 -0.553 19872 9982 1 19 . 1 1 54 54 VAL CA C 54 60.900 60.900 60.574 0.326 19872 9983 1 19 . 1 1 54 54 VAL CB C 54 32.300 32.300 31.510 0.790 19872 9984 1 19 . 1 1 55 55 VAL N N 55 127.100 127.100 127.805 -0.705 19872 9985 1 19 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.527 0.423 19872 9986 1 19 . 1 1 55 55 VAL C C 55 174.400 174.400 175.116 -0.716 19872 9987 1 19 . 1 1 55 55 VAL CA C 55 60.600 60.600 62.203 -1.603 19872 9988 1 19 . 1 1 55 55 VAL CB C 55 35.200 35.200 31.955 3.245 19872 9989 1 19 . 1 1 56 56 VAL N N 56 119.700 119.700 127.979 -8.279 19872 9990 1 19 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.116 0.324 19872 9991 1 19 . 1 1 56 56 VAL C C 56 173.400 173.400 174.615 -1.215 19872 9992 1 19 . 1 1 56 56 VAL CA C 56 58.000 58.000 61.178 -3.178 19872 9993 1 19 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.858 -0.058 19872 9994 1 19 . 1 1 57 57 PHE N N 57 122.400 122.400 123.796 -1.396 19872 9995 1 19 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.145 0.065 19872 9996 1 19 . 1 1 57 57 PHE C C 57 174.800 174.800 174.073 0.727 19872 9997 1 19 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.328 -0.928 19872 9998 1 19 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.694 -0.994 19872 9999 1 19 . 1 1 58 58 LEU N N 58 120.500 120.500 120.651 -0.151 19872 10000 1 19 . 1 1 58 58 LEU HA H 58 4.700 4.700 5.042 -0.342 19872 10001 1 19 . 1 1 58 58 LEU C C 58 175.500 175.500 175.272 0.228 19872 10002 1 19 . 1 1 58 58 LEU CA C 58 53.000 53.000 54.233 -1.233 19872 10003 1 19 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.528 -0.428 19872 10004 1 19 . 1 1 59 59 LYS N N 59 117.800 117.800 120.479 -2.679 19872 10005 1 19 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.410 -0.060 19872 10006 1 19 . 1 1 59 59 LYS C C 59 175.200 175.200 176.022 -0.822 19872 10007 1 19 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.162 -0.062 19872 10008 1 19 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.207 1.093 19872 10009 1 19 . 1 1 60 60 GLY N N 60 114.800 114.800 108.488 6.312 19872 10010 1 19 . 1 1 60 60 GLY C C 60 170.300 170.300 172.518 -2.218 19872 10011 1 19 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.297 -1.397 19872 10012 1 19 . 1 1 61 61 THR N N 61 107.800 107.800 110.277 -2.477 19872 10013 1 19 . 1 1 61 61 THR HA H 61 4.740 4.740 5.004 -0.264 19872 10014 1 19 . 1 1 61 61 THR C C 61 173.100 173.100 173.664 -0.564 19872 10015 1 19 . 1 1 61 61 THR CA C 61 57.400 57.400 58.512 -1.112 19872 10016 1 19 . 1 1 61 61 THR CB C 61 68.800 68.800 70.452 -1.652 19872 10017 1 19 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.384 -0.414 19872 10018 1 19 . 1 1 62 62 PRO C C 62 177.200 177.200 176.989 0.211 19872 10019 1 19 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.792 0.108 19872 10020 1 19 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.122 -1.022 19872 10021 1 19 . 1 1 63 63 GLU N N 63 111.900 111.900 114.520 -2.620 19872 10022 1 19 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.556 -0.616 19872 10023 1 19 . 1 1 63 63 GLU C C 63 176.500 176.500 176.299 0.201 19872 10024 1 19 . 1 1 63 63 GLU CA C 63 58.100 58.100 55.675 2.425 19872 10025 1 19 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.797 -0.597 19872 10026 1 19 . 1 1 64 64 GLN N N 64 117.700 117.700 119.428 -1.728 19872 10027 1 19 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.740 -0.260 19872 10028 1 19 . 1 1 64 64 GLN C C 64 171.500 171.500 174.072 -2.572 19872 10029 1 19 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.917 -0.517 19872 10030 1 19 . 1 1 64 64 GLN CB C 64 29.100 29.100 30.230 -1.130 19872 10031 1 19 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.734 -0.184 19872 10032 1 19 . 1 1 65 65 PRO C C 65 177.900 177.900 177.431 0.469 19872 10033 1 19 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.724 0.276 19872 10034 1 19 . 1 1 65 65 PRO CB C 65 31.700 31.700 30.581 1.119 19872 10035 1 19 . 1 1 66 66 GLN N N 66 119.700 119.700 120.504 -0.804 19872 10036 1 19 . 1 1 66 66 GLN HA H 66 4.500 4.500 3.888 0.612 19872 10037 1 19 . 1 1 66 66 GLN C C 66 174.400 174.400 175.901 -1.501 19872 10038 1 19 . 1 1 66 66 GLN CA C 66 54.600 54.600 58.636 -4.036 19872 10039 1 19 . 1 1 66 66 GLN CB C 66 29.100 29.100 27.399 1.701 19872 10040 1 19 . 1 1 67 67 CYS N N 67 116.700 116.700 119.492 -2.792 19872 10041 1 19 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.634 0.066 19872 10042 1 19 . 1 1 67 67 CYS C C 67 176.500 176.500 174.447 2.053 19872 10043 1 19 . 1 1 67 67 CYS CA C 67 58.700 58.700 57.932 0.768 19872 10044 1 19 . 1 1 67 67 CYS CB C 67 32.800 32.800 27.300 5.500 19872 10045 1 19 . 1 1 68 68 GLY C C 68 176.500 176.500 175.512 0.988 19872 10046 1 19 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.062 0.838 19872 10047 1 19 . 1 1 69 69 PHE N N 69 125.800 125.800 113.529 12.271 19872 10048 1 19 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.022 0.688 19872 10049 1 19 . 1 1 69 69 PHE C C 69 178.300 178.300 175.281 3.019 19872 10050 1 19 . 1 1 69 69 PHE CA C 69 59.900 59.900 58.426 1.474 19872 10051 1 19 . 1 1 69 69 PHE CB C 69 37.900 37.900 36.435 1.465 19872 10052 1 19 . 1 1 70 70 SER N N 70 124.200 124.200 115.560 8.640 19872 10053 1 19 . 1 1 70 70 SER HA H 70 3.980 3.980 4.075 -0.095 19872 10054 1 19 . 1 1 70 70 SER CA C 70 63.800 63.800 61.151 2.649 19872 10055 1 19 . 1 1 70 70 SER CB C 70 62.000 62.000 63.180 -1.180 19872 10056 1 19 . 1 1 71 71 ASN N N 71 118.500 118.500 119.400 -0.900 19872 10057 1 19 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.655 -0.505 19872 10058 1 19 . 1 1 71 71 ASN C C 71 175.800 175.800 176.861 -1.061 19872 10059 1 19 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.739 0.661 19872 10060 1 19 . 1 1 71 71 ASN CB C 71 38.800 38.800 37.302 1.498 19872 10061 1 19 . 1 1 72 72 ALA N N 72 119.900 119.900 122.641 -2.741 19872 10062 1 19 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.129 -0.149 19872 10063 1 19 . 1 1 72 72 ALA C C 72 179.700 179.700 179.936 -0.236 19872 10064 1 19 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.960 -0.160 19872 10065 1 19 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.221 -0.520 19872 10066 1 19 . 1 1 73 73 VAL N N 73 115.700 115.700 115.171 0.529 19872 10067 1 19 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.689 -0.349 19872 10068 1 19 . 1 1 73 73 VAL C C 73 176.300 176.300 177.653 -1.353 19872 10069 1 19 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.982 0.218 19872 10070 1 19 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.173 -0.073 19872 10071 1 19 . 1 1 74 74 VAL N N 74 118.100 118.100 120.573 -2.473 19872 10072 1 19 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.630 -0.300 19872 10073 1 19 . 1 1 74 74 VAL C C 74 178.800 178.800 178.287 0.513 19872 10074 1 19 . 1 1 74 74 VAL CA C 74 66.100 66.100 66.110 -0.010 19872 10075 1 19 . 1 1 74 74 VAL CB C 74 31.100 31.100 30.952 0.148 19872 10076 1 19 . 1 1 75 75 GLN N N 75 119.000 119.000 119.922 -0.922 19872 10077 1 19 . 1 1 75 75 GLN HA H 75 3.910 3.910 4.065 -0.155 19872 10078 1 19 . 1 1 75 75 GLN C C 75 178.500 178.500 178.926 -0.426 19872 10079 1 19 . 1 1 75 75 GLN CA C 75 57.900 57.900 58.584 -0.684 19872 10080 1 19 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.104 -1.004 19872 10081 1 19 . 1 1 76 76 ILE N N 76 120.600 120.600 120.372 0.228 19872 10082 1 19 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.575 -0.256 19872 10083 1 19 . 1 1 76 76 ILE C C 76 177.600 177.600 178.294 -0.694 19872 10084 1 19 . 1 1 76 76 ILE CA C 76 64.700 64.700 64.979 -0.279 19872 10085 1 19 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.687 -0.787 19872 10086 1 19 . 1 1 77 77 LEU N N 77 117.800 117.800 120.138 -2.338 19872 10087 1 19 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.979 -0.249 19872 10088 1 19 . 1 1 77 77 LEU C C 77 178.400 178.400 179.194 -0.794 19872 10089 1 19 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.549 -0.449 19872 10090 1 19 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.546 -2.146 19872 10091 1 19 . 1 1 78 78 ARG N N 78 118.800 118.800 119.409 -0.609 19872 10092 1 19 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.318 -0.238 19872 10093 1 19 . 1 1 78 78 ARG C C 78 180.800 180.800 179.512 1.288 19872 10094 1 19 . 1 1 78 78 ARG CA C 78 58.900 58.900 58.865 0.035 19872 10095 1 19 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.811 -0.511 19872 10096 1 19 . 1 1 79 79 LEU N N 79 123.200 123.200 121.993 1.207 19872 10097 1 19 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.051 -0.161 19872 10098 1 19 . 1 1 79 79 LEU C C 79 178.200 178.200 178.602 -0.402 19872 10099 1 19 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.692 -0.192 19872 10100 1 19 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.812 -0.312 19872 10101 1 19 . 1 1 80 80 HIS N N 80 112.200 112.200 114.873 -2.673 19872 10102 1 19 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.638 -0.538 19872 10103 1 19 . 1 1 80 80 HIS C C 80 176.000 176.000 176.515 -0.515 19872 10104 1 19 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.770 0.230 19872 10105 1 19 . 1 1 80 80 HIS CB C 80 31.700 31.700 30.240 1.460 19872 10106 1 19 . 1 1 81 81 GLY N N 81 111.700 111.700 107.912 3.788 19872 10107 1 19 . 1 1 81 81 GLY C C 81 174.000 174.000 173.903 0.097 19872 10108 1 19 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.355 0.245 19872 10109 1 19 . 1 1 82 82 VAL N N 82 120.400 120.400 121.567 -1.167 19872 10110 1 19 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.595 -0.785 19872 10111 1 19 . 1 1 82 82 VAL C C 82 174.800 174.800 175.398 -0.598 19872 10112 1 19 . 1 1 82 82 VAL CA C 82 62.200 62.200 61.345 0.855 19872 10113 1 19 . 1 1 82 82 VAL CB C 82 29.700 29.700 33.227 -3.527 19872 10114 1 19 . 1 1 83 83 ARG N N 83 126.600 126.600 123.940 2.660 19872 10115 1 19 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.607 -0.247 19872 10116 1 19 . 1 1 83 83 ARG C C 83 176.000 176.000 175.261 0.739 19872 10117 1 19 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.904 -0.304 19872 10118 1 19 . 1 1 83 83 ARG CB C 83 31.100 31.100 30.920 0.180 19872 10119 1 19 . 1 1 84 84 ASP N N 84 118.400 118.400 118.836 -0.436 19872 10120 1 19 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.481 0.069 19872 10121 1 19 . 1 1 84 84 ASP C C 84 174.200 174.200 175.053 -0.853 19872 10122 1 19 . 1 1 84 84 ASP CA C 84 53.000 53.000 52.462 0.538 19872 10123 1 19 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.446 -0.446 19872 10124 1 19 . 1 1 85 85 TYR N N 85 116.200 116.200 117.875 -1.675 19872 10125 1 19 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.785 -0.035 19872 10126 1 19 . 1 1 85 85 TYR C C 85 173.100 173.100 175.464 -2.364 19872 10127 1 19 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.896 -1.896 19872 10128 1 19 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.781 0.419 19872 10129 1 19 . 1 1 86 86 ALA N N 86 125.000 125.000 123.044 1.956 19872 10130 1 19 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.515 -0.295 19872 10131 1 19 . 1 1 86 86 ALA C C 86 174.300 174.300 175.656 -1.356 19872 10132 1 19 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.631 0.169 19872 10133 1 19 . 1 1 86 86 ALA CB C 86 20.400 20.400 19.508 0.892 19872 10134 1 19 . 1 1 87 87 ALA N N 87 124.400 124.400 129.349 -4.949 19872 10135 1 19 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.539 0.631 19872 10136 1 19 . 1 1 87 87 ALA C C 87 175.400 175.400 176.113 -0.713 19872 10137 1 19 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.858 -1.958 19872 10138 1 19 . 1 1 87 87 ALA CB C 87 21.400 21.400 18.812 2.588 19872 10139 1 19 . 1 1 88 88 TYR N N 88 121.100 121.100 124.155 -3.055 19872 10140 1 19 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.173 0.317 19872 10141 1 19 . 1 1 88 88 TYR C C 88 174.100 174.100 175.003 -0.903 19872 10142 1 19 . 1 1 88 88 TYR CA C 88 56.900 56.900 58.084 -1.183 19872 10143 1 19 . 1 1 88 88 TYR CB C 88 40.200 40.200 38.874 1.326 19872 10144 1 19 . 1 1 89 89 ASN N N 89 122.300 122.300 124.298 -1.998 19872 10145 1 19 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.097 0.093 19872 10146 1 19 . 1 1 89 89 ASN C C 89 178.000 178.000 176.296 1.704 19872 10147 1 19 . 1 1 89 89 ASN CA C 89 50.800 50.800 53.424 -2.624 19872 10148 1 19 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.882 -0.882 19872 10149 1 19 . 1 1 90 90 VAL N N 90 117.900 117.900 121.555 -3.655 19872 10150 1 19 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.140 0.040 19872 10151 1 19 . 1 1 90 90 VAL C C 90 176.700 176.700 175.752 0.948 19872 10152 1 19 . 1 1 90 90 VAL CA C 90 62.200 62.200 63.317 -1.117 19872 10153 1 19 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.461 -0.961 19872 10154 1 19 . 1 1 91 91 LEU N N 91 118.900 118.900 119.769 -0.869 19872 10155 1 19 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.159 -0.099 19872 10156 1 19 . 1 1 91 91 LEU C C 91 177.500 177.500 178.548 -1.048 19872 10157 1 19 . 1 1 91 91 LEU CA C 91 56.000 56.000 57.062 -1.062 19872 10158 1 19 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.688 -1.288 19872 10159 1 19 . 1 1 92 92 ASP N N 92 115.500 115.500 119.608 -4.108 19872 10160 1 19 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.508 0.162 19872 10161 1 19 . 1 1 92 92 ASP C C 92 175.500 175.500 175.959 -0.459 19872 10162 1 19 . 1 1 92 92 ASP CA C 92 54.100 54.100 56.159 -2.059 19872 10163 1 19 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.594 -0.594 19872 10164 1 19 . 1 1 93 93 ASP N N 93 115.000 115.000 118.762 -3.762 19872 10165 1 19 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.118 -0.088 19872 10166 1 19 . 1 1 93 93 ASP C C 93 172.800 172.800 174.935 -2.135 19872 10167 1 19 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.925 -1.425 19872 10168 1 19 . 1 1 93 93 ASP CB C 93 41.900 41.900 43.141 -1.240 19872 10169 1 19 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.432 -0.162 19872 10170 1 19 . 1 1 94 94 PRO C C 94 179.300 179.300 178.101 1.199 19872 10171 1 19 . 1 1 94 94 PRO CA C 94 64.100 64.100 64.658 -0.558 19872 10172 1 19 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.506 -0.706 19872 10173 1 19 . 1 1 95 95 GLU N N 95 118.600 118.600 119.165 -0.565 19872 10174 1 19 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.057 -0.017 19872 10175 1 19 . 1 1 95 95 GLU C C 95 179.500 179.500 179.091 0.409 19872 10176 1 19 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.212 -0.612 19872 10177 1 19 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.232 0.368 19872 10178 1 19 . 1 1 96 96 LEU N N 96 123.800 123.800 120.360 3.440 19872 10179 1 19 . 1 1 96 96 LEU HA H 96 3.890 3.890 3.983 -0.093 19872 10180 1 19 . 1 1 96 96 LEU C C 96 177.200 177.200 178.811 -1.611 19872 10181 1 19 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.293 -0.193 19872 10182 1 19 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.690 -0.390 19872 10183 1 19 . 1 1 97 97 ARG N N 97 117.900 117.900 119.352 -1.452 19872 10184 1 19 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.832 -0.292 19872 10185 1 19 . 1 1 97 97 ARG C C 97 176.400 176.400 178.313 -1.913 19872 10186 1 19 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.000 -0.100 19872 10187 1 19 . 1 1 97 97 ARG CB C 97 30.400 30.400 29.940 0.460 19872 10188 1 19 . 1 1 98 98 GLN N N 98 114.400 114.400 117.947 -3.547 19872 10189 1 19 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.087 -0.267 19872 10190 1 19 . 1 1 98 98 GLN C C 98 177.500 177.500 178.493 -0.993 19872 10191 1 19 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.723 -1.823 19872 10192 1 19 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.552 -0.551 19872 10193 1 19 . 1 1 99 99 GLY N N 99 107.700 107.700 108.395 -0.695 19872 10194 1 19 . 1 1 99 99 GLY C C 99 176.700 176.700 176.138 0.562 19872 10195 1 19 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.265 -0.765 19872 10196 1 19 . 1 1 100 100 ILE N N 100 120.900 120.900 122.477 -1.577 19872 10197 1 19 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.848 0.132 19872 10198 1 19 . 1 1 100 100 ILE C C 100 176.800 176.800 177.353 -0.553 19872 10199 1 19 . 1 1 100 100 ILE CA C 100 60.500 60.500 61.122 -0.622 19872 10200 1 19 . 1 1 100 100 ILE CB C 100 37.500 37.500 37.884 -0.384 19872 10201 1 19 . 1 1 101 101 LYS N N 101 124.600 124.600 121.055 3.545 19872 10202 1 19 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.253 -0.173 19872 10203 1 19 . 1 1 101 101 LYS C C 101 178.900 178.900 178.703 0.197 19872 10204 1 19 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.850 -1.150 19872 10205 1 19 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.234 -0.434 19872 10206 1 19 . 1 1 102 102 ASP N N 102 118.700 118.700 118.563 0.137 19872 10207 1 19 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.509 -0.259 19872 10208 1 19 . 1 1 102 102 ASP C C 102 177.700 177.700 179.022 -1.322 19872 10209 1 19 . 1 1 102 102 ASP CA C 102 56.200 56.200 56.956 -0.756 19872 10210 1 19 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.154 -1.454 19872 10211 1 19 . 1 1 103 103 TYR N N 103 120.300 120.300 121.220 -0.920 19872 10212 1 19 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.217 -0.157 19872 10213 1 19 . 1 1 103 103 TYR C C 103 176.600 176.600 177.232 -0.632 19872 10214 1 19 . 1 1 103 103 TYR CA C 103 60.500 60.500 61.356 -0.856 19872 10215 1 19 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.869 1.031 19872 10216 1 19 . 1 1 104 104 SER N N 104 110.900 110.900 113.006 -2.106 19872 10217 1 19 . 1 1 104 104 SER HA H 104 3.900 3.900 4.419 -0.519 19872 10218 1 19 . 1 1 104 104 SER C C 104 174.600 174.600 175.284 -0.684 19872 10219 1 19 . 1 1 104 104 SER CA C 104 57.700 57.700 58.686 -0.986 19872 10220 1 19 . 1 1 104 104 SER CB C 104 63.900 63.900 64.549 -0.649 19872 10221 1 19 . 1 1 105 105 ASN N N 105 117.900 117.900 116.866 1.034 19872 10222 1 19 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.486 -0.286 19872 10223 1 19 . 1 1 105 105 ASN C C 105 173.200 173.200 173.987 -0.787 19872 10224 1 19 . 1 1 105 105 ASN CA C 105 53.800 53.800 55.132 -1.332 19872 10225 1 19 . 1 1 105 105 ASN CB C 105 37.200 37.200 37.985 -0.785 19872 10226 1 19 . 1 1 106 106 TRP N N 106 120.600 120.600 120.023 0.577 19872 10227 1 19 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.054 0.026 19872 10228 1 19 . 1 1 106 106 TRP C C 106 175.400 175.400 175.306 0.094 19872 10229 1 19 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.265 -1.765 19872 10230 1 19 . 1 1 106 106 TRP CB C 106 31.000 31.000 30.792 0.208 19872 10231 1 19 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.360 -0.190 19872 10232 1 19 . 1 1 107 107 PRO C C 107 175.900 175.900 176.092 -0.192 19872 10233 1 19 . 1 1 107 107 PRO CA C 107 63.700 63.700 64.242 -0.542 19872 10234 1 19 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.050 -0.450 19872 10235 1 19 . 1 1 108 108 THR N N 108 110.500 110.500 112.122 -1.622 19872 10236 1 19 . 1 1 108 108 THR HA H 108 4.300 4.300 4.527 -0.227 19872 10237 1 19 . 1 1 108 108 THR C C 108 171.400 171.400 173.033 -1.633 19872 10238 1 19 . 1 1 108 108 THR CA C 108 60.400 60.400 62.529 -2.130 19872 10239 1 19 . 1 1 108 108 THR CB C 108 70.400 70.400 70.421 -0.021 19872 10240 1 19 . 1 1 109 109 ILE N N 109 123.100 123.100 125.413 -2.313 19872 10241 1 19 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.606 -0.346 19872 10242 1 19 . 1 1 109 109 ILE C C 109 175.000 175.000 173.210 1.790 19872 10243 1 19 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.521 -1.621 19872 10244 1 19 . 1 1 109 109 ILE CB C 109 40.100 40.100 40.663 -0.563 19872 10245 1 19 . 1 1 110 110 PRO HA H 110 5.340 5.340 4.746 0.594 19872 10246 1 19 . 1 1 110 110 PRO C C 110 175.600 175.600 175.536 0.064 19872 10247 1 19 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.268 -0.768 19872 10248 1 19 . 1 1 110 110 PRO CB C 110 37.500 37.500 32.389 5.111 19872 10249 1 19 . 1 1 111 111 GLN N N 111 114.700 114.700 120.876 -6.176 19872 10250 1 19 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.403 -0.473 19872 10251 1 19 . 1 1 111 111 GLN C C 111 174.100 174.100 174.467 -0.367 19872 10252 1 19 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.530 0.870 19872 10253 1 19 . 1 1 111 111 GLN CB C 111 33.900 33.900 34.041 -0.141 19872 10254 1 19 . 1 1 112 112 VAL N N 112 121.000 121.000 119.626 1.374 19872 10255 1 19 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.266 -0.486 19872 10256 1 19 . 1 1 112 112 VAL C C 112 172.300 172.300 173.385 -1.085 19872 10257 1 19 . 1 1 112 112 VAL CA C 112 61.200 61.200 60.296 0.904 19872 10258 1 19 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.337 -1.837 19872 10259 1 19 . 1 1 113 113 TYR N N 113 128.400 128.400 125.848 2.552 19872 10260 1 19 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.232 -0.262 19872 10261 1 19 . 1 1 113 113 TYR C C 113 173.800 173.800 174.591 -0.791 19872 10262 1 19 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.391 0.310 19872 10263 1 19 . 1 1 113 113 TYR CB C 113 41.000 41.000 40.374 0.626 19872 10264 1 19 . 1 1 114 114 LEU N N 114 117.900 117.900 125.120 -7.220 19872 10265 1 19 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.179 0.151 19872 10266 1 19 . 1 1 114 114 LEU C C 114 178.300 178.300 177.648 0.652 19872 10267 1 19 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.987 -1.887 19872 10268 1 19 . 1 1 114 114 LEU CB C 114 43.300 43.300 42.783 0.517 19872 10269 1 19 . 1 1 115 115 ASN N N 115 125.000 125.000 123.163 1.837 19872 10270 1 19 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.573 -0.073 19872 10271 1 19 . 1 1 115 115 ASN C C 115 175.500 175.500 175.734 -0.234 19872 10272 1 19 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.416 -1.716 19872 10273 1 19 . 1 1 115 115 ASN CB C 115 38.700 38.700 38.240 0.460 19872 10274 1 19 . 1 1 116 116 GLY N N 116 105.000 105.000 102.658 2.342 19872 10275 1 19 . 1 1 116 116 GLY C C 116 172.900 172.900 173.791 -0.891 19872 10276 1 19 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.400 -0.300 19872 10277 1 19 . 1 1 117 117 GLU N N 117 118.900 118.900 121.475 -2.575 19872 10278 1 19 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.660 0.090 19872 10279 1 19 . 1 1 117 117 GLU C C 117 174.700 174.700 175.311 -0.611 19872 10280 1 19 . 1 1 117 117 GLU CA C 117 54.000 54.000 55.180 -1.180 19872 10281 1 19 . 1 1 117 117 GLU CB C 117 31.600 31.600 31.526 0.074 19872 10282 1 19 . 1 1 118 118 PHE N N 118 124.400 124.400 125.711 -1.311 19872 10283 1 19 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.257 -1.067 19872 10284 1 19 . 1 1 118 118 PHE C C 118 175.500 175.500 174.865 0.635 19872 10285 1 19 . 1 1 118 118 PHE CA C 118 57.500 57.500 57.177 0.323 19872 10286 1 19 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.465 -1.365 19872 10287 1 19 . 1 1 119 119 VAL N N 119 126.900 126.900 125.664 1.236 19872 10288 1 19 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.100 -0.390 19872 10289 1 19 . 1 1 119 119 VAL C C 119 174.200 174.200 174.478 -0.278 19872 10290 1 19 . 1 1 119 119 VAL CA C 119 61.900 61.900 62.178 -0.278 19872 10291 1 19 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.366 -1.966 19872 10292 1 19 . 1 1 120 120 GLY N N 120 101.400 101.400 108.141 -6.741 19872 10293 1 19 . 1 1 120 120 GLY CA C 120 44.100 44.100 45.245 -1.145 19872 10294 1 19 . 1 1 121 121 GLY N N 121 106.300 106.300 108.129 -1.829 19872 10295 1 19 . 1 1 121 121 GLY C C 121 173.100 173.100 174.508 -1.408 19872 10296 1 19 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.141 0.059 19872 10297 1 19 . 1 1 122 122 CYS N N 122 119.400 119.400 120.020 -0.620 19872 10298 1 19 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.192 -0.532 19872 10299 1 19 . 1 1 122 122 CYS C C 122 174.800 174.800 175.887 -1.087 19872 10300 1 19 . 1 1 122 122 CYS CA C 122 61.800 61.800 60.981 0.819 19872 10301 1 19 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.831 -0.231 19872 10302 1 19 . 1 1 123 123 ASP N N 123 117.700 117.700 120.533 -2.833 19872 10303 1 19 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.589 -0.349 19872 10304 1 19 . 1 1 123 123 ASP C C 123 179.100 179.100 178.046 1.054 19872 10305 1 19 . 1 1 123 123 ASP CA C 123 57.700 57.700 57.088 0.612 19872 10306 1 19 . 1 1 123 123 ASP CB C 123 39.200 39.200 41.201 -2.001 19872 10307 1 19 . 1 1 124 124 ILE N N 124 120.700 120.700 120.405 0.295 19872 10308 1 19 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.738 -0.018 19872 10309 1 19 . 1 1 124 124 ILE C C 124 177.200 177.200 177.724 -0.524 19872 10310 1 19 . 1 1 124 124 ILE CA C 124 63.100 63.100 64.102 -1.002 19872 10311 1 19 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.949 -0.949 19872 10312 1 19 . 1 1 125 125 LEU N N 125 122.000 122.000 121.765 0.235 19872 10313 1 19 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.972 -0.142 19872 10314 1 19 . 1 1 125 125 LEU C C 125 178.800 178.800 178.265 0.535 19872 10315 1 19 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.415 -1.015 19872 10316 1 19 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.725 -0.925 19872 10317 1 19 . 1 1 126 126 LEU N N 126 118.200 118.200 116.722 1.478 19872 10318 1 19 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.112 -0.152 19872 10319 1 19 . 1 1 126 126 LEU C C 126 179.100 179.100 179.135 -0.035 19872 10320 1 19 . 1 1 126 126 LEU CA C 126 57.800 57.800 57.994 -0.194 19872 10321 1 19 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.742 0.058 19872 10322 1 19 . 1 1 127 127 GLN N N 127 119.900 119.900 118.188 1.712 19872 10323 1 19 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.060 -0.090 19872 10324 1 19 . 1 1 127 127 GLN C C 127 178.200 178.200 178.734 -0.534 19872 10325 1 19 . 1 1 127 127 GLN CA C 127 59.000 59.000 58.403 0.597 19872 10326 1 19 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.281 -0.381 19872 10327 1 19 . 1 1 128 128 MET N N 128 117.500 117.500 117.921 -0.421 19872 10328 1 19 . 1 1 128 128 MET HA H 128 4.360 4.360 4.133 0.227 19872 10329 1 19 . 1 1 128 128 MET C C 128 179.600 179.600 178.766 0.834 19872 10330 1 19 . 1 1 128 128 MET CA C 128 57.800 57.800 58.829 -1.029 19872 10331 1 19 . 1 1 128 128 MET CB C 128 33.500 33.500 32.416 1.084 19872 10332 1 19 . 1 1 129 129 HIS N N 129 122.300 122.300 119.687 2.613 19872 10333 1 19 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.352 -0.002 19872 10334 1 19 . 1 1 129 129 HIS C C 129 177.000 177.000 177.674 -0.674 19872 10335 1 19 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.215 -1.015 19872 10336 1 19 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.821 1.279 19872 10337 1 19 . 1 1 130 130 GLN N N 130 116.700 116.700 117.068 -0.368 19872 10338 1 19 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.128 -0.368 19872 10339 1 19 . 1 1 130 130 GLN C C 130 177.600 177.600 177.684 -0.084 19872 10340 1 19 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.266 0.534 19872 10341 1 19 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.136 -0.836 19872 10342 1 19 . 1 1 131 131 ASN N N 131 114.200 114.200 117.921 -3.721 19872 10343 1 19 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.629 -0.009 19872 10344 1 19 . 1 1 131 131 ASN C C 131 176.600 176.600 176.273 0.327 19872 10345 1 19 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.609 -1.309 19872 10346 1 19 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.262 -1.262 19872 10347 1 19 . 1 1 132 132 GLY N N 132 106.600 106.600 106.314 0.286 19872 10348 1 19 . 1 1 132 132 GLY C C 132 175.300 175.300 174.926 0.374 19872 10349 1 19 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.203 -0.003 19872 10350 1 19 . 1 1 133 133 ASP N N 133 122.900 122.900 121.465 1.435 19872 10351 1 19 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.599 -0.229 19872 10352 1 19 . 1 1 133 133 ASP C C 133 178.700 178.700 177.771 0.929 19872 10353 1 19 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.175 0.525 19872 10354 1 19 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.828 -0.828 19872 10355 1 19 . 1 1 134 134 LEU N N 134 118.900 118.900 119.032 -0.132 19872 10356 1 19 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.015 -0.235 19872 10357 1 19 . 1 1 134 134 LEU C C 134 177.300 177.300 178.100 -0.800 19872 10358 1 19 . 1 1 134 134 LEU CA C 134 57.300 57.300 57.258 0.042 19872 10359 1 19 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.670 -1.671 19872 10360 1 19 . 1 1 135 135 VAL N N 135 116.600 116.600 118.482 -1.882 19872 10361 1 19 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.635 -0.235 19872 10362 1 19 . 1 1 135 135 VAL C C 135 178.300 178.300 177.893 0.407 19872 10363 1 19 . 1 1 135 135 VAL CA C 135 66.800 66.800 66.206 0.594 19872 10364 1 19 . 1 1 135 135 VAL CB C 135 31.200 31.200 31.455 -0.255 19872 10365 1 19 . 1 1 136 136 GLU N N 136 118.600 118.600 119.165 -0.565 19872 10366 1 19 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.059 -0.039 19872 10367 1 19 . 1 1 136 136 GLU C C 136 178.800 178.800 178.991 -0.191 19872 10368 1 19 . 1 1 136 136 GLU CA C 136 58.000 58.000 58.882 -0.881 19872 10369 1 19 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.887 -0.387 19872 10370 1 19 . 1 1 137 137 GLU N N 137 119.500 119.500 120.538 -1.038 19872 10371 1 19 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.118 -0.228 19872 10372 1 19 . 1 1 137 137 GLU C C 137 179.500 179.500 179.127 0.373 19872 10373 1 19 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.700 -0.700 19872 10374 1 19 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.393 -0.793 19872 10375 1 19 . 1 1 138 138 LEU N N 138 117.400 117.400 119.365 -1.965 19872 10376 1 19 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.965 -0.075 19872 10377 1 19 . 1 1 138 138 LEU C C 138 179.200 179.200 178.866 0.334 19872 10378 1 19 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.591 -0.091 19872 10379 1 19 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.795 -2.495 19872 10380 1 19 . 1 1 139 139 LYS N N 139 121.100 121.100 118.226 2.874 19872 10381 1 19 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.097 -0.247 19872 10382 1 19 . 1 1 139 139 LYS C C 139 180.900 180.900 179.432 1.468 19872 10383 1 19 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.135 0.465 19872 10384 1 19 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.101 -0.301 19872 10385 1 19 . 1 1 140 140 LYS N N 140 119.800 119.800 119.757 0.043 19872 10386 1 19 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.069 -0.129 19872 10387 1 19 . 1 1 140 140 LYS C C 140 177.600 177.600 177.473 0.127 19872 10388 1 19 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.622 0.078 19872 10389 1 19 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.154 -0.254 19872 10390 1 19 . 1 1 141 141 LEU N N 141 116.600 116.600 118.309 -1.709 19872 10391 1 19 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.469 -0.149 19872 10392 1 19 . 1 1 141 141 LEU C C 141 176.400 176.400 177.839 -1.439 19872 10393 1 19 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.728 -1.128 19872 10394 1 19 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.680 0.320 19872 10395 1 19 . 1 1 142 142 GLY N N 142 107.200 107.200 108.102 -0.902 19872 10396 1 19 . 1 1 142 142 GLY C C 142 173.900 173.900 174.859 -0.959 19872 10397 1 19 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.828 -0.828 19872 10398 1 19 . 1 1 143 143 ILE N N 143 121.600 121.600 120.689 0.911 19872 10399 1 19 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.077 -0.057 19872 10400 1 19 . 1 1 143 143 ILE C C 143 173.900 173.900 175.353 -1.453 19872 10401 1 19 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.574 -1.574 19872 10402 1 19 . 1 1 143 143 ILE CB C 143 38.700 38.700 39.008 -0.308 19872 10403 1 19 . 1 1 144 144 HIS N N 144 128.000 128.000 124.497 3.503 19872 10404 1 19 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.754 -0.414 19872 10405 1 19 . 1 1 144 144 HIS C C 144 173.800 173.800 174.791 -0.991 19872 10406 1 19 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.127 -0.827 19872 10407 1 19 . 1 1 144 144 HIS CB C 144 28.600 28.600 30.974 -2.374 19872 10408 1 19 . 1 1 145 145 SER N N 145 121.400 121.400 123.076 -1.676 19872 10409 1 19 . 1 1 145 145 SER HA H 145 4.470 4.470 4.552 -0.082 19872 10410 1 19 . 1 1 145 145 SER CA C 145 57.800 57.800 58.355 -0.555 19872 10411 1 19 . 1 1 145 145 SER CB C 145 62.200 62.200 64.044 -1.844 19872 10412 1 19 . 1 1 146 146 ALA N N 146 130.100 130.100 131.855 -1.755 19872 10413 1 19 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.281 -0.101 19872 10414 1 19 . 1 1 146 146 ALA C C 146 178.100 178.100 178.192 -0.092 19872 10415 1 19 . 1 1 146 146 ALA CA C 146 52.900 52.900 54.001 -1.101 19872 10416 1 19 . 1 1 146 146 ALA CB C 146 17.700 17.700 19.102 -1.402 19872 10417 1 19 . 1 1 147 147 LEU N N 147 117.800 117.800 117.098 0.702 19872 10418 1 19 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.134 -0.074 19872 10419 1 19 . 1 1 147 147 LEU C C 147 177.700 177.700 178.864 -1.164 19872 10420 1 19 . 1 1 147 147 LEU CA C 147 55.100 55.100 56.376 -1.276 19872 10421 1 19 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.820 -1.420 19872 10422 1 19 . 1 1 148 148 LEU N N 148 120.100 120.100 119.041 1.059 19872 10423 1 19 . 1 1 148 148 LEU HA H 148 4.180 4.180 4.119 0.061 19872 10424 1 19 . 1 1 148 148 LEU C C 148 176.500 176.500 178.091 -1.591 19872 10425 1 19 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.016 -2.316 19872 10426 1 19 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.413 0.587 19872 10427 1 19 . 1 1 149 149 ASP N N 149 121.900 121.900 117.966 3.934 19872 10428 1 19 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.863 -0.263 19872 10429 1 19 . 1 1 149 149 ASP C C 149 174.800 174.800 175.089 -0.289 19872 10430 1 19 . 1 1 149 149 ASP CA C 149 53.900 53.900 54.266 -0.366 19872 10431 1 19 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.012 -0.412 19872 10432 1 20 . 1 1 2 2 SER HA H 2 4.360 4.360 4.602 -0.242 19872 10433 1 20 . 1 1 2 2 SER C C 2 173.800 173.800 173.144 0.656 19872 10434 1 20 . 1 1 2 2 SER CA C 2 58.000 58.000 58.759 -0.759 19872 10435 1 20 . 1 1 2 2 SER CB C 2 63.100 63.100 63.997 -0.897 19872 10436 1 20 . 1 1 3 3 PHE N N 3 122.000 122.000 122.598 -0.598 19872 10437 1 20 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.660 -0.050 19872 10438 1 20 . 1 1 3 3 PHE C C 3 175.300 175.300 175.100 0.200 19872 10439 1 20 . 1 1 3 3 PHE CA C 3 57.300 57.300 57.879 -0.579 19872 10440 1 20 . 1 1 3 3 PHE CB C 3 39.300 39.300 40.321 -1.021 19872 10441 1 20 . 1 1 4 4 THR N N 4 116.900 116.900 116.219 0.681 19872 10442 1 20 . 1 1 4 4 THR HA H 4 4.180 4.180 4.556 -0.376 19872 10443 1 20 . 1 1 4 4 THR C C 4 173.800 173.800 173.730 0.070 19872 10444 1 20 . 1 1 4 4 THR CA C 4 61.000 61.000 60.782 0.217 19872 10445 1 20 . 1 1 4 4 THR CB C 4 69.300 69.300 71.384 -2.084 19872 10446 1 20 . 1 1 36 36 ALA N N 36 123.600 123.600 122.403 1.197 19872 10447 1 20 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.406 -0.176 19872 10448 1 20 . 1 1 36 36 ALA C C 36 178.100 178.100 177.683 0.417 19872 10449 1 20 . 1 1 36 36 ALA CA C 36 52.000 52.000 51.980 0.020 19872 10450 1 20 . 1 1 36 36 ALA CB C 36 18.700 18.700 19.260 -0.560 19872 10451 1 20 . 1 1 37 37 GLY N N 37 108.200 108.200 109.090 -0.890 19872 10452 1 20 . 1 1 37 37 GLY C C 37 174.500 174.500 173.828 0.672 19872 10453 1 20 . 1 1 37 37 GLY CA C 37 44.800 44.800 44.189 0.611 19872 10454 1 20 . 1 1 38 38 GLY N N 38 108.200 108.200 106.537 1.663 19872 10455 1 20 . 1 1 38 38 GLY C C 38 174.500 174.500 173.857 0.643 19872 10456 1 20 . 1 1 38 38 GLY CA C 38 44.700 44.700 43.798 0.902 19872 10457 1 20 . 1 1 39 39 GLY N N 39 108.600 108.600 107.689 0.911 19872 10458 1 20 . 1 1 39 39 GLY C C 39 174.100 174.100 175.537 -1.437 19872 10459 1 20 . 1 1 39 39 GLY CA C 39 44.800 44.800 45.353 -0.553 19872 10460 1 20 . 1 1 40 40 GLY N N 40 107.700 107.700 112.701 -5.001 19872 10461 1 20 . 1 1 40 40 GLY C C 40 174.100 174.100 174.660 -0.560 19872 10462 1 20 . 1 1 40 40 GLY CA C 40 44.700 44.700 45.482 -0.782 19872 10463 1 20 . 1 1 41 41 SER N N 41 115.700 115.700 117.146 -1.446 19872 10464 1 20 . 1 1 41 41 SER HA H 41 4.220 4.220 4.383 -0.163 19872 10465 1 20 . 1 1 41 41 SER C C 41 174.800 174.800 175.130 -0.330 19872 10466 1 20 . 1 1 41 41 SER CA C 41 58.400 58.400 58.007 0.393 19872 10467 1 20 . 1 1 41 41 SER CB C 41 63.100 63.100 64.306 -1.206 19872 10468 1 20 . 1 1 42 42 ALA N N 42 124.700 124.700 127.823 -3.123 19872 10469 1 20 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.053 -0.103 19872 10470 1 20 . 1 1 42 42 ALA C C 42 178.800 178.800 179.127 -0.327 19872 10471 1 20 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.094 -0.394 19872 10472 1 20 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.531 -0.831 19872 10473 1 20 . 1 1 43 43 GLU N N 43 116.700 116.700 116.461 0.239 19872 10474 1 20 . 1 1 43 43 GLU HA H 43 3.950 3.950 3.977 -0.027 19872 10475 1 20 . 1 1 43 43 GLU C C 43 178.800 178.800 177.386 1.414 19872 10476 1 20 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.076 0.424 19872 10477 1 20 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.081 0.519 19872 10478 1 20 . 1 1 44 44 GLN N N 44 119.400 119.400 120.134 -0.734 19872 10479 1 20 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.143 -0.173 19872 10480 1 20 . 1 1 44 44 GLN C C 44 178.200 178.200 178.083 0.117 19872 10481 1 20 . 1 1 44 44 GLN CA C 44 57.600 57.600 57.699 -0.099 19872 10482 1 20 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.899 -0.799 19872 10483 1 20 . 1 1 45 45 LEU N N 45 121.700 121.700 120.914 0.786 19872 10484 1 20 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.772 -0.202 19872 10485 1 20 . 1 1 45 45 LEU C C 45 177.300 177.300 178.805 -1.505 19872 10486 1 20 . 1 1 45 45 LEU CA C 45 56.500 56.500 58.319 -1.819 19872 10487 1 20 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.732 -1.232 19872 10488 1 20 . 1 1 46 46 ASP N N 46 118.000 118.000 119.276 -1.276 19872 10489 1 20 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.336 -0.306 19872 10490 1 20 . 1 1 46 46 ASP C C 46 176.800 176.800 177.980 -1.180 19872 10491 1 20 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.392 -0.792 19872 10492 1 20 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.756 0.844 19872 10493 1 20 . 1 1 47 47 ALA N N 47 116.100 116.100 121.261 -5.161 19872 10494 1 20 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.206 -0.316 19872 10495 1 20 . 1 1 47 47 ALA C C 47 180.300 180.300 179.243 1.057 19872 10496 1 20 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.525 -0.525 19872 10497 1 20 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.630 -1.230 19872 10498 1 20 . 1 1 48 48 LEU N N 48 117.800 117.800 119.576 -1.776 19872 10499 1 20 . 1 1 48 48 LEU HA H 48 3.840 3.840 4.035 -0.195 19872 10500 1 20 . 1 1 48 48 LEU C C 48 180.100 180.100 179.329 0.771 19872 10501 1 20 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.473 -0.073 19872 10502 1 20 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.618 -0.718 19872 10503 1 20 . 1 1 49 49 VAL N N 49 112.100 112.100 115.311 -3.211 19872 10504 1 20 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.810 0.070 19872 10505 1 20 . 1 1 49 49 VAL C C 49 176.000 176.000 177.457 -1.457 19872 10506 1 20 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.483 -1.282 19872 10507 1 20 . 1 1 49 49 VAL CB C 49 31.000 31.000 30.496 0.504 19872 10508 1 20 . 1 1 50 50 LYS N N 50 115.400 115.400 119.237 -3.837 19872 10509 1 20 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.410 -0.250 19872 10510 1 20 . 1 1 50 50 LYS C C 50 177.900 177.900 177.200 0.700 19872 10511 1 20 . 1 1 50 50 LYS CA C 50 56.200 56.200 55.917 0.283 19872 10512 1 20 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.850 0.550 19872 10513 1 20 . 1 1 51 51 LYS N N 51 119.000 119.000 119.060 -0.060 19872 10514 1 20 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.212 -0.292 19872 10515 1 20 . 1 1 51 51 LYS C C 51 174.700 174.700 176.265 -1.565 19872 10516 1 20 . 1 1 51 51 LYS CA C 51 58.000 58.000 57.842 0.158 19872 10517 1 20 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.937 -0.637 19872 10518 1 20 . 1 1 52 52 ASP N N 52 113.400 113.400 116.438 -3.038 19872 10519 1 20 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.878 0.112 19872 10520 1 20 . 1 1 52 52 ASP C C 52 174.400 174.400 175.117 -0.717 19872 10521 1 20 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.565 -0.765 19872 10522 1 20 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.771 1.829 19872 10523 1 20 . 1 1 53 53 LYS N N 53 119.500 119.500 118.673 0.827 19872 10524 1 20 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.394 -0.384 19872 10525 1 20 . 1 1 53 53 LYS C C 53 176.100 176.100 176.476 -0.376 19872 10526 1 20 . 1 1 53 53 LYS CA C 53 59.800 59.800 56.997 2.803 19872 10527 1 20 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.923 -0.323 19872 10528 1 20 . 1 1 54 54 VAL N N 54 117.700 117.700 119.210 -1.510 19872 10529 1 20 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.902 -0.282 19872 10530 1 20 . 1 1 54 54 VAL C C 54 173.700 173.700 174.175 -0.475 19872 10531 1 20 . 1 1 54 54 VAL CA C 54 60.900 60.900 61.087 -0.187 19872 10532 1 20 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.023 -0.723 19872 10533 1 20 . 1 1 55 55 VAL N N 55 127.100 127.100 128.135 -1.035 19872 10534 1 20 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.662 0.288 19872 10535 1 20 . 1 1 55 55 VAL C C 55 174.400 174.400 175.075 -0.675 19872 10536 1 20 . 1 1 55 55 VAL CA C 55 60.600 60.600 61.376 -0.776 19872 10537 1 20 . 1 1 55 55 VAL CB C 55 35.200 35.200 32.415 2.785 19872 10538 1 20 . 1 1 56 56 VAL N N 56 119.700 119.700 127.010 -7.310 19872 10539 1 20 . 1 1 56 56 VAL HA H 56 5.440 5.440 4.856 0.584 19872 10540 1 20 . 1 1 56 56 VAL C C 56 173.400 173.400 174.575 -1.175 19872 10541 1 20 . 1 1 56 56 VAL CA C 56 58.000 58.000 60.991 -2.991 19872 10542 1 20 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.257 0.543 19872 10543 1 20 . 1 1 57 57 PHE N N 57 122.400 122.400 124.381 -1.981 19872 10544 1 20 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.116 0.094 19872 10545 1 20 . 1 1 57 57 PHE C C 57 174.800 174.800 174.013 0.787 19872 10546 1 20 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.243 -0.843 19872 10547 1 20 . 1 1 57 57 PHE CB C 57 40.700 40.700 40.812 -0.112 19872 10548 1 20 . 1 1 58 58 LEU N N 58 120.500 120.500 120.054 0.446 19872 10549 1 20 . 1 1 58 58 LEU HA H 58 4.700 4.700 5.057 -0.357 19872 10550 1 20 . 1 1 58 58 LEU C C 58 175.500 175.500 175.886 -0.386 19872 10551 1 20 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.222 -0.222 19872 10552 1 20 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.455 -0.354 19872 10553 1 20 . 1 1 59 59 LYS N N 59 117.800 117.800 120.977 -3.177 19872 10554 1 20 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.327 0.023 19872 10555 1 20 . 1 1 59 59 LYS C C 59 175.200 175.200 175.875 -0.675 19872 10556 1 20 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.432 -0.332 19872 10557 1 20 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.302 0.998 19872 10558 1 20 . 1 1 60 60 GLY N N 60 114.800 114.800 110.077 4.723 19872 10559 1 20 . 1 1 60 60 GLY C C 60 170.300 170.300 172.809 -2.509 19872 10560 1 20 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.779 -1.879 19872 10561 1 20 . 1 1 61 61 THR N N 61 107.800 107.800 111.112 -3.312 19872 10562 1 20 . 1 1 61 61 THR HA H 61 4.740 4.740 4.882 -0.142 19872 10563 1 20 . 1 1 61 61 THR C C 61 173.100 173.100 173.663 -0.563 19872 10564 1 20 . 1 1 61 61 THR CA C 61 57.400 57.400 60.218 -2.818 19872 10565 1 20 . 1 1 61 61 THR CB C 61 68.800 68.800 70.001 -1.201 19872 10566 1 20 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.425 -0.455 19872 10567 1 20 . 1 1 62 62 PRO C C 62 177.200 177.200 176.577 0.623 19872 10568 1 20 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.391 0.509 19872 10569 1 20 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.261 -1.161 19872 10570 1 20 . 1 1 63 63 GLU N N 63 111.900 111.900 115.239 -3.339 19872 10571 1 20 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.524 -0.584 19872 10572 1 20 . 1 1 63 63 GLU C C 63 176.500 176.500 176.335 0.165 19872 10573 1 20 . 1 1 63 63 GLU CA C 63 58.100 58.100 55.996 2.104 19872 10574 1 20 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.980 -0.780 19872 10575 1 20 . 1 1 64 64 GLN N N 64 117.700 117.700 119.169 -1.469 19872 10576 1 20 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.736 -0.256 19872 10577 1 20 . 1 1 64 64 GLN C C 64 171.500 171.500 173.658 -2.158 19872 10578 1 20 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.827 -0.427 19872 10579 1 20 . 1 1 64 64 GLN CB C 64 29.100 29.100 30.449 -1.349 19872 10580 1 20 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.633 -0.083 19872 10581 1 20 . 1 1 65 65 PRO C C 65 177.900 177.900 177.153 0.747 19872 10582 1 20 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.515 0.485 19872 10583 1 20 . 1 1 65 65 PRO CB C 65 31.700 31.700 31.962 -0.261 19872 10584 1 20 . 1 1 66 66 GLN N N 66 119.700 119.700 122.349 -2.649 19872 10585 1 20 . 1 1 66 66 GLN HA H 66 4.500 4.500 4.041 0.459 19872 10586 1 20 . 1 1 66 66 GLN C C 66 174.400 174.400 176.156 -1.756 19872 10587 1 20 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.666 -3.066 19872 10588 1 20 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.728 0.372 19872 10589 1 20 . 1 1 67 67 CYS N N 67 116.700 116.700 114.813 1.887 19872 10590 1 20 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.603 0.097 19872 10591 1 20 . 1 1 67 67 CYS C C 67 176.500 176.500 174.319 2.181 19872 10592 1 20 . 1 1 67 67 CYS CA C 67 58.700 58.700 56.947 1.753 19872 10593 1 20 . 1 1 67 67 CYS CB C 67 32.800 32.800 29.157 3.643 19872 10594 1 20 . 1 1 68 68 GLY C C 68 176.500 176.500 175.147 1.353 19872 10595 1 20 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.916 -0.016 19872 10596 1 20 . 1 1 69 69 PHE N N 69 125.800 125.800 115.555 10.245 19872 10597 1 20 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.029 0.681 19872 10598 1 20 . 1 1 69 69 PHE C C 69 178.300 178.300 176.540 1.760 19872 10599 1 20 . 1 1 69 69 PHE CA C 69 59.900 59.900 59.366 0.534 19872 10600 1 20 . 1 1 69 69 PHE CB C 69 37.900 37.900 37.611 0.289 19872 10601 1 20 . 1 1 70 70 SER N N 70 124.200 124.200 115.580 8.620 19872 10602 1 20 . 1 1 70 70 SER HA H 70 3.980 3.980 4.216 -0.236 19872 10603 1 20 . 1 1 70 70 SER CA C 70 63.800 63.800 61.826 1.974 19872 10604 1 20 . 1 1 70 70 SER CB C 70 62.000 62.000 63.299 -1.299 19872 10605 1 20 . 1 1 71 71 ASN N N 71 118.500 118.500 120.594 -2.094 19872 10606 1 20 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.511 -0.361 19872 10607 1 20 . 1 1 71 71 ASN C C 71 175.800 175.800 176.512 -0.712 19872 10608 1 20 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.492 0.908 19872 10609 1 20 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.030 0.770 19872 10610 1 20 . 1 1 72 72 ALA N N 72 119.900 119.900 123.077 -3.177 19872 10611 1 20 . 1 1 72 72 ALA HA H 72 3.980 3.980 3.971 0.009 19872 10612 1 20 . 1 1 72 72 ALA C C 72 179.700 179.700 179.445 0.255 19872 10613 1 20 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.821 -0.021 19872 10614 1 20 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.046 -0.346 19872 10615 1 20 . 1 1 73 73 VAL N N 73 115.700 115.700 113.998 1.702 19872 10616 1 20 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.551 -0.211 19872 10617 1 20 . 1 1 73 73 VAL C C 73 176.300 176.300 177.297 -0.997 19872 10618 1 20 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.762 0.438 19872 10619 1 20 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.530 -0.430 19872 10620 1 20 . 1 1 74 74 VAL N N 74 118.100 118.100 120.391 -2.291 19872 10621 1 20 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.623 -0.293 19872 10622 1 20 . 1 1 74 74 VAL C C 74 178.800 178.800 178.389 0.411 19872 10623 1 20 . 1 1 74 74 VAL CA C 74 66.100 66.100 65.455 0.645 19872 10624 1 20 . 1 1 74 74 VAL CB C 74 31.100 31.100 30.915 0.185 19872 10625 1 20 . 1 1 75 75 GLN N N 75 119.000 119.000 119.671 -0.671 19872 10626 1 20 . 1 1 75 75 GLN HA H 75 3.910 3.910 4.000 -0.090 19872 10627 1 20 . 1 1 75 75 GLN C C 75 178.500 178.500 178.934 -0.434 19872 10628 1 20 . 1 1 75 75 GLN CA C 75 57.900 57.900 59.093 -1.193 19872 10629 1 20 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.393 -1.293 19872 10630 1 20 . 1 1 76 76 ILE N N 76 120.600 120.600 120.382 0.218 19872 10631 1 20 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.527 -0.207 19872 10632 1 20 . 1 1 76 76 ILE C C 76 177.600 177.600 178.388 -0.788 19872 10633 1 20 . 1 1 76 76 ILE CA C 76 64.700 64.700 65.347 -0.646 19872 10634 1 20 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.617 -0.717 19872 10635 1 20 . 1 1 77 77 LEU N N 77 117.800 117.800 120.197 -2.397 19872 10636 1 20 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.950 -0.220 19872 10637 1 20 . 1 1 77 77 LEU C C 77 178.400 178.400 179.050 -0.650 19872 10638 1 20 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.542 -0.443 19872 10639 1 20 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.523 -2.123 19872 10640 1 20 . 1 1 78 78 ARG N N 78 118.800 118.800 119.287 -0.487 19872 10641 1 20 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.268 -0.188 19872 10642 1 20 . 1 1 78 78 ARG C C 78 180.800 180.800 179.408 1.392 19872 10643 1 20 . 1 1 78 78 ARG CA C 78 58.900 58.900 59.092 -0.192 19872 10644 1 20 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.753 -0.453 19872 10645 1 20 . 1 1 79 79 LEU N N 79 123.200 123.200 120.449 2.751 19872 10646 1 20 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.014 -0.124 19872 10647 1 20 . 1 1 79 79 LEU C C 79 178.200 178.200 177.295 0.905 19872 10648 1 20 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.248 0.252 19872 10649 1 20 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.938 -0.438 19872 10650 1 20 . 1 1 80 80 HIS N N 80 112.200 112.200 113.546 -1.346 19872 10651 1 20 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.543 -0.443 19872 10652 1 20 . 1 1 80 80 HIS C C 80 176.000 176.000 176.679 -0.679 19872 10653 1 20 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.363 0.637 19872 10654 1 20 . 1 1 80 80 HIS CB C 80 31.700 31.700 30.242 1.458 19872 10655 1 20 . 1 1 81 81 GLY N N 81 111.700 111.700 108.310 3.390 19872 10656 1 20 . 1 1 81 81 GLY C C 81 174.000 174.000 174.019 -0.019 19872 10657 1 20 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.709 -0.109 19872 10658 1 20 . 1 1 82 82 VAL N N 82 120.400 120.400 121.780 -1.380 19872 10659 1 20 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.371 -0.561 19872 10660 1 20 . 1 1 82 82 VAL C C 82 174.800 174.800 175.560 -0.760 19872 10661 1 20 . 1 1 82 82 VAL CA C 82 62.200 62.200 61.718 0.482 19872 10662 1 20 . 1 1 82 82 VAL CB C 82 29.700 29.700 32.222 -2.522 19872 10663 1 20 . 1 1 83 83 ARG N N 83 126.600 126.600 124.056 2.544 19872 10664 1 20 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.489 -0.129 19872 10665 1 20 . 1 1 83 83 ARG C C 83 176.000 176.000 175.477 0.523 19872 10666 1 20 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.220 0.380 19872 10667 1 20 . 1 1 83 83 ARG CB C 83 31.100 31.100 30.380 0.720 19872 10668 1 20 . 1 1 84 84 ASP N N 84 118.400 118.400 118.050 0.350 19872 10669 1 20 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.527 0.023 19872 10670 1 20 . 1 1 84 84 ASP C C 84 174.200 174.200 175.075 -0.875 19872 10671 1 20 . 1 1 84 84 ASP CA C 84 53.000 53.000 53.653 -0.653 19872 10672 1 20 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.850 -0.850 19872 10673 1 20 . 1 1 85 85 TYR N N 85 116.200 116.200 117.136 -0.936 19872 10674 1 20 . 1 1 85 85 TYR HA H 85 4.750 4.750 5.007 -0.257 19872 10675 1 20 . 1 1 85 85 TYR C C 85 173.100 173.100 175.638 -2.538 19872 10676 1 20 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.148 -1.149 19872 10677 1 20 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.937 0.263 19872 10678 1 20 . 1 1 86 86 ALA N N 86 125.000 125.000 123.563 1.437 19872 10679 1 20 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.581 -0.361 19872 10680 1 20 . 1 1 86 86 ALA C C 86 174.300 174.300 175.853 -1.553 19872 10681 1 20 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.748 0.052 19872 10682 1 20 . 1 1 86 86 ALA CB C 86 20.400 20.400 20.103 0.297 19872 10683 1 20 . 1 1 87 87 ALA N N 87 124.400 124.400 129.618 -5.218 19872 10684 1 20 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.513 0.657 19872 10685 1 20 . 1 1 87 87 ALA C C 87 175.400 175.400 176.188 -0.788 19872 10686 1 20 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.993 -2.093 19872 10687 1 20 . 1 1 87 87 ALA CB C 87 21.400 21.400 18.790 2.610 19872 10688 1 20 . 1 1 88 88 TYR N N 88 121.100 121.100 124.203 -3.103 19872 10689 1 20 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.231 0.259 19872 10690 1 20 . 1 1 88 88 TYR C C 88 174.100 174.100 174.919 -0.819 19872 10691 1 20 . 1 1 88 88 TYR CA C 88 56.900 56.900 59.048 -2.148 19872 10692 1 20 . 1 1 88 88 TYR CB C 88 40.200 40.200 39.121 1.079 19872 10693 1 20 . 1 1 89 89 ASN N N 89 122.300 122.300 123.445 -1.145 19872 10694 1 20 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.212 -0.022 19872 10695 1 20 . 1 1 89 89 ASN C C 89 178.000 178.000 176.196 1.804 19872 10696 1 20 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.776 -1.976 19872 10697 1 20 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.838 -0.838 19872 10698 1 20 . 1 1 90 90 VAL N N 90 117.900 117.900 121.285 -3.385 19872 10699 1 20 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.099 0.081 19872 10700 1 20 . 1 1 90 90 VAL C C 90 176.700 176.700 176.576 0.124 19872 10701 1 20 . 1 1 90 90 VAL CA C 90 62.200 62.200 63.841 -1.641 19872 10702 1 20 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.638 -1.138 19872 10703 1 20 . 1 1 91 91 LEU N N 91 118.900 118.900 121.135 -2.235 19872 10704 1 20 . 1 1 91 91 LEU HA H 91 4.060 4.060 3.930 0.130 19872 10705 1 20 . 1 1 91 91 LEU C C 91 177.500 177.500 178.706 -1.206 19872 10706 1 20 . 1 1 91 91 LEU CA C 91 56.000 56.000 57.472 -1.472 19872 10707 1 20 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.277 -0.877 19872 10708 1 20 . 1 1 92 92 ASP N N 92 115.500 115.500 118.215 -2.715 19872 10709 1 20 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.557 0.113 19872 10710 1 20 . 1 1 92 92 ASP C C 92 175.500 175.500 176.255 -0.755 19872 10711 1 20 . 1 1 92 92 ASP CA C 92 54.100 54.100 56.132 -2.032 19872 10712 1 20 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.720 -0.720 19872 10713 1 20 . 1 1 93 93 ASP N N 93 115.000 115.000 118.580 -3.580 19872 10714 1 20 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.206 -0.176 19872 10715 1 20 . 1 1 93 93 ASP C C 93 172.800 172.800 174.937 -2.137 19872 10716 1 20 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.521 -1.021 19872 10717 1 20 . 1 1 93 93 ASP CB C 93 41.900 41.900 43.051 -1.151 19872 10718 1 20 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.370 -0.100 19872 10719 1 20 . 1 1 94 94 PRO C C 94 179.300 179.300 178.523 0.777 19872 10720 1 20 . 1 1 94 94 PRO CA C 94 64.100 64.100 65.085 -0.985 19872 10721 1 20 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.455 -0.655 19872 10722 1 20 . 1 1 95 95 GLU N N 95 118.600 118.600 118.999 -0.399 19872 10723 1 20 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.042 -0.002 19872 10724 1 20 . 1 1 95 95 GLU C C 95 179.500 179.500 178.956 0.544 19872 10725 1 20 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.915 -1.315 19872 10726 1 20 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.478 0.122 19872 10727 1 20 . 1 1 96 96 LEU N N 96 123.800 123.800 120.016 3.784 19872 10728 1 20 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.035 -0.145 19872 10729 1 20 . 1 1 96 96 LEU C C 96 177.200 177.200 178.935 -1.735 19872 10730 1 20 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.853 -0.753 19872 10731 1 20 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.854 -0.554 19872 10732 1 20 . 1 1 97 97 ARG N N 97 117.900 117.900 119.160 -1.260 19872 10733 1 20 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.844 -0.304 19872 10734 1 20 . 1 1 97 97 ARG C C 97 176.400 176.400 178.408 -2.008 19872 10735 1 20 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.141 -0.240 19872 10736 1 20 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.213 0.187 19872 10737 1 20 . 1 1 98 98 GLN N N 98 114.400 114.400 118.358 -3.958 19872 10738 1 20 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.094 -0.274 19872 10739 1 20 . 1 1 98 98 GLN C C 98 177.500 177.500 178.345 -0.845 19872 10740 1 20 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.835 -1.935 19872 10741 1 20 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.577 -0.577 19872 10742 1 20 . 1 1 99 99 GLY N N 99 107.700 107.700 108.315 -0.615 19872 10743 1 20 . 1 1 99 99 GLY C C 99 176.700 176.700 176.123 0.577 19872 10744 1 20 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.334 -0.834 19872 10745 1 20 . 1 1 100 100 ILE N N 100 120.900 120.900 122.247 -1.347 19872 10746 1 20 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.811 0.169 19872 10747 1 20 . 1 1 100 100 ILE C C 100 176.800 176.800 177.691 -0.891 19872 10748 1 20 . 1 1 100 100 ILE CA C 100 60.500 60.500 61.081 -0.581 19872 10749 1 20 . 1 1 100 100 ILE CB C 100 37.500 37.500 37.937 -0.437 19872 10750 1 20 . 1 1 101 101 LYS N N 101 124.600 124.600 121.177 3.423 19872 10751 1 20 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.148 -0.068 19872 10752 1 20 . 1 1 101 101 LYS C C 101 178.900 178.900 178.647 0.253 19872 10753 1 20 . 1 1 101 101 LYS CA C 101 58.700 58.700 60.048 -1.348 19872 10754 1 20 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.185 -0.385 19872 10755 1 20 . 1 1 102 102 ASP N N 102 118.700 118.700 119.093 -0.393 19872 10756 1 20 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.421 -0.171 19872 10757 1 20 . 1 1 102 102 ASP C C 102 177.700 177.700 178.913 -1.213 19872 10758 1 20 . 1 1 102 102 ASP CA C 102 56.200 56.200 57.309 -1.109 19872 10759 1 20 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.196 -1.496 19872 10760 1 20 . 1 1 103 103 TYR N N 103 120.300 120.300 120.998 -0.698 19872 10761 1 20 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.206 -0.146 19872 10762 1 20 . 1 1 103 103 TYR C C 103 176.600 176.600 177.012 -0.412 19872 10763 1 20 . 1 1 103 103 TYR CA C 103 60.500 60.500 61.091 -0.591 19872 10764 1 20 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.667 1.233 19872 10765 1 20 . 1 1 104 104 SER N N 104 110.900 110.900 112.126 -1.226 19872 10766 1 20 . 1 1 104 104 SER HA H 104 3.900 3.900 4.394 -0.494 19872 10767 1 20 . 1 1 104 104 SER C C 104 174.600 174.600 173.570 1.030 19872 10768 1 20 . 1 1 104 104 SER CA C 104 57.700 57.700 58.559 -0.859 19872 10769 1 20 . 1 1 104 104 SER CB C 104 63.900 63.900 63.937 -0.037 19872 10770 1 20 . 1 1 105 105 ASN N N 105 117.900 117.900 116.790 1.110 19872 10771 1 20 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.494 -0.294 19872 10772 1 20 . 1 1 105 105 ASN C C 105 173.200 173.200 174.571 -1.371 19872 10773 1 20 . 1 1 105 105 ASN CA C 105 53.800 53.800 54.917 -1.117 19872 10774 1 20 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.243 -1.043 19872 10775 1 20 . 1 1 106 106 TRP N N 106 120.600 120.600 118.288 2.312 19872 10776 1 20 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.076 0.004 19872 10777 1 20 . 1 1 106 106 TRP C C 106 175.400 175.400 174.663 0.737 19872 10778 1 20 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.219 -1.719 19872 10779 1 20 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.528 -0.528 19872 10780 1 20 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.395 -0.225 19872 10781 1 20 . 1 1 107 107 PRO C C 107 175.900 175.900 177.412 -1.512 19872 10782 1 20 . 1 1 107 107 PRO CA C 107 63.700 63.700 65.450 -1.750 19872 10783 1 20 . 1 1 107 107 PRO CB C 107 31.600 31.600 31.946 -0.346 19872 10784 1 20 . 1 1 108 108 THR N N 108 110.500 110.500 107.967 2.533 19872 10785 1 20 . 1 1 108 108 THR HA H 108 4.300 4.300 4.455 -0.155 19872 10786 1 20 . 1 1 108 108 THR C C 108 171.400 171.400 174.308 -2.908 19872 10787 1 20 . 1 1 108 108 THR CA C 108 60.400 60.400 61.857 -1.457 19872 10788 1 20 . 1 1 108 108 THR CB C 108 70.400 70.400 69.601 0.799 19872 10789 1 20 . 1 1 109 109 ILE N N 109 123.100 123.100 118.021 5.079 19872 10790 1 20 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.607 -0.347 19872 10791 1 20 . 1 1 109 109 ILE C C 109 175.000 175.000 173.597 1.403 19872 10792 1 20 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.892 -1.992 19872 10793 1 20 . 1 1 109 109 ILE CB C 109 40.100 40.100 38.838 1.262 19872 10794 1 20 . 1 1 110 110 PRO HA H 110 5.340 5.340 5.036 0.304 19872 10795 1 20 . 1 1 110 110 PRO C C 110 175.600 175.600 175.699 -0.099 19872 10796 1 20 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.063 -0.563 19872 10797 1 20 . 1 1 110 110 PRO CB C 110 37.500 37.500 33.216 4.284 19872 10798 1 20 . 1 1 111 111 GLN N N 111 114.700 114.700 116.643 -1.943 19872 10799 1 20 . 1 1 111 111 GLN HA H 111 4.930 4.930 4.869 0.061 19872 10800 1 20 . 1 1 111 111 GLN C C 111 174.100 174.100 174.474 -0.374 19872 10801 1 20 . 1 1 111 111 GLN CA C 111 55.400 55.400 55.006 0.394 19872 10802 1 20 . 1 1 111 111 GLN CB C 111 33.900 33.900 33.142 0.758 19872 10803 1 20 . 1 1 112 112 VAL N N 112 121.000 121.000 118.938 2.062 19872 10804 1 20 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.332 -0.552 19872 10805 1 20 . 1 1 112 112 VAL C C 112 172.300 172.300 173.933 -1.633 19872 10806 1 20 . 1 1 112 112 VAL CA C 112 61.200 61.200 59.695 1.505 19872 10807 1 20 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.728 -2.228 19872 10808 1 20 . 1 1 113 113 TYR N N 113 128.400 128.400 122.772 5.628 19872 10809 1 20 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.057 -0.087 19872 10810 1 20 . 1 1 113 113 TYR C C 113 173.800 173.800 174.509 -0.709 19872 10811 1 20 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.670 0.030 19872 10812 1 20 . 1 1 113 113 TYR CB C 113 41.000 41.000 41.557 -0.557 19872 10813 1 20 . 1 1 114 114 LEU N N 114 117.900 117.900 123.181 -5.281 19872 10814 1 20 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.218 0.112 19872 10815 1 20 . 1 1 114 114 LEU C C 114 178.300 178.300 177.607 0.693 19872 10816 1 20 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.687 -1.587 19872 10817 1 20 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.365 -0.065 19872 10818 1 20 . 1 1 115 115 ASN N N 115 125.000 125.000 124.329 0.671 19872 10819 1 20 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.437 0.063 19872 10820 1 20 . 1 1 115 115 ASN C C 115 175.500 175.500 175.506 -0.006 19872 10821 1 20 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.389 -1.689 19872 10822 1 20 . 1 1 115 115 ASN CB C 115 38.700 38.700 37.886 0.814 19872 10823 1 20 . 1 1 116 116 GLY N N 116 105.000 105.000 102.650 2.350 19872 10824 1 20 . 1 1 116 116 GLY C C 116 172.900 172.900 173.859 -0.959 19872 10825 1 20 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.761 -0.661 19872 10826 1 20 . 1 1 117 117 GLU N N 117 118.900 118.900 120.426 -1.526 19872 10827 1 20 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.833 -0.083 19872 10828 1 20 . 1 1 117 117 GLU C C 117 174.700 174.700 175.464 -0.764 19872 10829 1 20 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.338 -0.338 19872 10830 1 20 . 1 1 117 117 GLU CB C 117 31.600 31.600 32.377 -0.777 19872 10831 1 20 . 1 1 118 118 PHE N N 118 124.400 124.400 123.744 0.656 19872 10832 1 20 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.073 -0.883 19872 10833 1 20 . 1 1 118 118 PHE C C 118 175.500 175.500 175.493 0.007 19872 10834 1 20 . 1 1 118 118 PHE CA C 118 57.500 57.500 58.827 -1.327 19872 10835 1 20 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.656 -1.556 19872 10836 1 20 . 1 1 119 119 VAL N N 119 126.900 126.900 121.438 5.462 19872 10837 1 20 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.168 -0.458 19872 10838 1 20 . 1 1 119 119 VAL C C 119 174.200 174.200 174.908 -0.708 19872 10839 1 20 . 1 1 119 119 VAL CA C 119 61.900 61.900 61.627 0.273 19872 10840 1 20 . 1 1 119 119 VAL CB C 119 32.400 32.400 33.013 -0.613 19872 10841 1 20 . 1 1 120 120 GLY N N 120 101.400 101.400 106.788 -5.388 19872 10842 1 20 . 1 1 120 120 GLY CA C 120 44.100 44.100 44.066 0.034 19872 10843 1 20 . 1 1 121 121 GLY N N 121 106.300 106.300 105.934 0.366 19872 10844 1 20 . 1 1 121 121 GLY C C 121 173.100 173.100 175.165 -2.065 19872 10845 1 20 . 1 1 121 121 GLY CA C 121 43.200 43.200 44.398 -1.198 19872 10846 1 20 . 1 1 122 122 CYS N N 122 119.400 119.400 119.332 0.068 19872 10847 1 20 . 1 1 122 122 CYS HA H 122 3.660 3.660 3.955 -0.295 19872 10848 1 20 . 1 1 122 122 CYS C C 122 174.800 174.800 176.148 -1.348 19872 10849 1 20 . 1 1 122 122 CYS CA C 122 61.800 61.800 61.701 0.099 19872 10850 1 20 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.459 0.141 19872 10851 1 20 . 1 1 123 123 ASP N N 123 117.700 117.700 119.329 -1.629 19872 10852 1 20 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.362 -0.122 19872 10853 1 20 . 1 1 123 123 ASP C C 123 179.100 179.100 177.421 1.679 19872 10854 1 20 . 1 1 123 123 ASP CA C 123 57.700 57.700 56.808 0.892 19872 10855 1 20 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.853 -1.653 19872 10856 1 20 . 1 1 124 124 ILE N N 124 120.700 120.700 118.785 1.915 19872 10857 1 20 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.866 -0.146 19872 10858 1 20 . 1 1 124 124 ILE C C 124 177.200 177.200 177.557 -0.357 19872 10859 1 20 . 1 1 124 124 ILE CA C 124 63.100 63.100 63.739 -0.639 19872 10860 1 20 . 1 1 124 124 ILE CB C 124 37.000 37.000 38.295 -1.295 19872 10861 1 20 . 1 1 125 125 LEU N N 125 122.000 122.000 121.989 0.011 19872 10862 1 20 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.903 -0.073 19872 10863 1 20 . 1 1 125 125 LEU C C 125 178.800 178.800 178.448 0.352 19872 10864 1 20 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.477 -1.077 19872 10865 1 20 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.657 -0.857 19872 10866 1 20 . 1 1 126 126 LEU N N 126 118.200 118.200 115.853 2.347 19872 10867 1 20 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.026 -0.066 19872 10868 1 20 . 1 1 126 126 LEU C C 126 179.100 179.100 178.337 0.763 19872 10869 1 20 . 1 1 126 126 LEU CA C 126 57.800 57.800 56.964 0.836 19872 10870 1 20 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.855 -0.055 19872 10871 1 20 . 1 1 127 127 GLN N N 127 119.900 119.900 117.739 2.161 19872 10872 1 20 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.231 -0.261 19872 10873 1 20 . 1 1 127 127 GLN C C 127 178.200 178.200 178.272 -0.072 19872 10874 1 20 . 1 1 127 127 GLN CA C 127 59.000 59.000 57.821 1.179 19872 10875 1 20 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.997 -1.097 19872 10876 1 20 . 1 1 128 128 MET N N 128 117.500 117.500 118.973 -1.473 19872 10877 1 20 . 1 1 128 128 MET HA H 128 4.360 4.360 4.042 0.318 19872 10878 1 20 . 1 1 128 128 MET C C 128 179.600 179.600 178.667 0.933 19872 10879 1 20 . 1 1 128 128 MET CA C 128 57.800 57.800 59.148 -1.348 19872 10880 1 20 . 1 1 128 128 MET CB C 128 33.500 33.500 32.326 1.174 19872 10881 1 20 . 1 1 129 129 HIS N N 129 122.300 122.300 119.534 2.766 19872 10882 1 20 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.314 0.036 19872 10883 1 20 . 1 1 129 129 HIS C C 129 177.000 177.000 177.701 -0.701 19872 10884 1 20 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.090 -0.890 19872 10885 1 20 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.709 1.391 19872 10886 1 20 . 1 1 130 130 GLN N N 130 116.700 116.700 117.051 -0.351 19872 10887 1 20 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.077 -0.317 19872 10888 1 20 . 1 1 130 130 GLN C C 130 177.600 177.600 177.862 -0.262 19872 10889 1 20 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.389 0.411 19872 10890 1 20 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.192 -0.892 19872 10891 1 20 . 1 1 131 131 ASN N N 131 114.200 114.200 117.727 -3.527 19872 10892 1 20 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.602 0.018 19872 10893 1 20 . 1 1 131 131 ASN C C 131 176.600 176.600 176.284 0.316 19872 10894 1 20 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.619 -1.319 19872 10895 1 20 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.178 -1.178 19872 10896 1 20 . 1 1 132 132 GLY N N 132 106.600 106.600 106.085 0.515 19872 10897 1 20 . 1 1 132 132 GLY C C 132 175.300 175.300 174.949 0.351 19872 10898 1 20 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.256 -0.056 19872 10899 1 20 . 1 1 133 133 ASP N N 133 122.900 122.900 121.599 1.301 19872 10900 1 20 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.619 -0.249 19872 10901 1 20 . 1 1 133 133 ASP C C 133 178.700 178.700 177.819 0.881 19872 10902 1 20 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.520 0.180 19872 10903 1 20 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.654 -0.654 19872 10904 1 20 . 1 1 134 134 LEU N N 134 118.900 118.900 119.613 -0.713 19872 10905 1 20 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.002 -0.222 19872 10906 1 20 . 1 1 134 134 LEU C C 134 177.300 177.300 177.897 -0.597 19872 10907 1 20 . 1 1 134 134 LEU CA C 134 57.300 57.300 57.613 -0.313 19872 10908 1 20 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.570 -1.570 19872 10909 1 20 . 1 1 135 135 VAL N N 135 116.600 116.600 117.858 -1.258 19872 10910 1 20 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.667 -0.267 19872 10911 1 20 . 1 1 135 135 VAL C C 135 178.300 178.300 178.335 -0.035 19872 10912 1 20 . 1 1 135 135 VAL CA C 135 66.800 66.800 65.568 1.232 19872 10913 1 20 . 1 1 135 135 VAL CB C 135 31.200 31.200 30.427 0.773 19872 10914 1 20 . 1 1 136 136 GLU N N 136 118.600 118.600 119.783 -1.183 19872 10915 1 20 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.060 -0.040 19872 10916 1 20 . 1 1 136 136 GLU C C 136 178.800 178.800 179.049 -0.249 19872 10917 1 20 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.243 -1.243 19872 10918 1 20 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.742 -0.242 19872 10919 1 20 . 1 1 137 137 GLU N N 137 119.500 119.500 120.494 -0.994 19872 10920 1 20 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.115 -0.225 19872 10921 1 20 . 1 1 137 137 GLU C C 137 179.500 179.500 179.307 0.193 19872 10922 1 20 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.770 -0.770 19872 10923 1 20 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.274 -0.674 19872 10924 1 20 . 1 1 138 138 LEU N N 138 117.400 117.400 120.003 -2.603 19872 10925 1 20 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.994 -0.104 19872 10926 1 20 . 1 1 138 138 LEU C C 138 179.200 179.200 178.705 0.495 19872 10927 1 20 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.364 0.136 19872 10928 1 20 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.940 -2.640 19872 10929 1 20 . 1 1 139 139 LYS N N 139 121.100 121.100 119.648 1.452 19872 10930 1 20 . 1 1 139 139 LYS HA H 139 3.850 3.850 3.948 -0.098 19872 10931 1 20 . 1 1 139 139 LYS C C 139 180.900 180.900 179.244 1.656 19872 10932 1 20 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.494 0.106 19872 10933 1 20 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.302 -0.502 19872 10934 1 20 . 1 1 140 140 LYS N N 140 119.800 119.800 118.555 1.245 19872 10935 1 20 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.073 -0.133 19872 10936 1 20 . 1 1 140 140 LYS C C 140 177.600 177.600 178.074 -0.474 19872 10937 1 20 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.690 0.010 19872 10938 1 20 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.383 -0.483 19872 10939 1 20 . 1 1 141 141 LEU N N 141 116.600 116.600 119.407 -2.807 19872 10940 1 20 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.321 -0.001 19872 10941 1 20 . 1 1 141 141 LEU C C 141 176.400 176.400 177.943 -1.543 19872 10942 1 20 . 1 1 141 141 LEU CA C 141 53.600 53.600 55.485 -1.885 19872 10943 1 20 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.909 0.091 19872 10944 1 20 . 1 1 142 142 GLY N N 142 107.200 107.200 107.336 -0.136 19872 10945 1 20 . 1 1 142 142 GLY C C 142 173.900 173.900 174.598 -0.698 19872 10946 1 20 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.644 -0.644 19872 10947 1 20 . 1 1 143 143 ILE N N 143 121.600 121.600 120.294 1.306 19872 10948 1 20 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.024 -0.004 19872 10949 1 20 . 1 1 143 143 ILE C C 143 173.900 173.900 175.513 -1.613 19872 10950 1 20 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.427 -1.427 19872 10951 1 20 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.861 -0.161 19872 10952 1 20 . 1 1 144 144 HIS N N 144 128.000 128.000 125.549 2.451 19872 10953 1 20 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.660 -0.320 19872 10954 1 20 . 1 1 144 144 HIS C C 144 173.800 173.800 174.731 -0.931 19872 10955 1 20 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.486 -1.186 19872 10956 1 20 . 1 1 144 144 HIS CB C 144 28.600 28.600 30.314 -1.714 19872 10957 1 20 . 1 1 145 145 SER N N 145 121.400 121.400 123.254 -1.854 19872 10958 1 20 . 1 1 145 145 SER HA H 145 4.470 4.470 4.581 -0.111 19872 10959 1 20 . 1 1 145 145 SER CA C 145 57.800 57.800 58.367 -0.567 19872 10960 1 20 . 1 1 145 145 SER CB C 145 62.200 62.200 64.069 -1.869 19872 10961 1 20 . 1 1 146 146 ALA N N 146 130.100 130.100 130.816 -0.716 19872 10962 1 20 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.364 -0.184 19872 10963 1 20 . 1 1 146 146 ALA C C 146 178.100 178.100 178.585 -0.485 19872 10964 1 20 . 1 1 146 146 ALA CA C 146 52.900 52.900 53.718 -0.818 19872 10965 1 20 . 1 1 146 146 ALA CB C 146 17.700 17.700 19.127 -1.427 19872 10966 1 20 . 1 1 147 147 LEU N N 147 117.800 117.800 118.136 -0.336 19872 10967 1 20 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.061 -0.001 19872 10968 1 20 . 1 1 147 147 LEU C C 147 177.700 177.700 179.054 -1.354 19872 10969 1 20 . 1 1 147 147 LEU CA C 147 55.100 55.100 56.764 -1.664 19872 10970 1 20 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.572 -1.171 19872 10971 1 20 . 1 1 148 148 LEU N N 148 120.100 120.100 120.041 0.059 19872 10972 1 20 . 1 1 148 148 LEU HA H 148 4.180 4.180 4.014 0.166 19872 10973 1 20 . 1 1 148 148 LEU C C 148 176.500 176.500 178.088 -1.588 19872 10974 1 20 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.758 -3.058 19872 10975 1 20 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.164 0.835 19872 10976 1 20 . 1 1 149 149 ASP N N 149 121.900 121.900 116.225 5.675 19872 10977 1 20 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.771 -0.171 19872 10978 1 20 . 1 1 149 149 ASP C C 149 174.800 174.800 175.466 -0.666 19872 10979 1 20 . 1 1 149 149 ASP CA C 149 53.900 53.900 53.593 0.307 19872 10980 1 20 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.367 -0.767 19872 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 110 2.749 0.406 2.732 19872 2 1 1 "Average Difference" HA 117 0.309 0.148 0.272 19872 3 1 1 "Average Difference" C 114 1.088 0.236 1.066 19872 4 1 1 "Average Difference" CA 117 1.105 0.461 1.009 19872 5 1 1 "Average Difference" CB 104 1.232 0.296 1.202 19872 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19872 7 1 2 "Average Difference" N 110 2.718 0.380 2.703 19872 8 1 2 "Average Difference" HA 117 0.284 0.138 0.250 19872 9 1 2 "Average Difference" C 114 1.053 0.255 1.026 19872 10 1 2 "Average Difference" CA 117 1.068 0.530 0.931 19872 11 1 2 "Average Difference" CB 104 1.224 0.331 1.185 19872 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19872 13 1 3 "Average Difference" N 110 2.659 0.394 2.641 19872 14 1 3 "Average Difference" HA 117 0.321 0.152 0.284 19872 15 1 3 "Average Difference" C 114 1.041 0.247 1.015 19872 16 1 3 "Average Difference" CA 117 1.045 0.418 0.962 19872 17 1 3 "Average Difference" CB 104 1.258 0.358 1.211 19872 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19872 19 1 4 "Average Difference" N 110 2.620 0.396 2.602 19872 20 1 4 "Average Difference" HA 117 0.294 0.150 0.254 19872 21 1 4 "Average Difference" C 114 0.982 0.257 0.952 19872 22 1 4 "Average Difference" CA 117 1.063 0.456 0.965 19872 23 1 4 "Average Difference" CB 104 1.264 0.306 1.232 19872 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19872 25 1 5 "Average Difference" N 110 2.644 0.325 2.636 19872 26 1 5 "Average Difference" HA 117 0.311 0.122 0.287 19872 27 1 5 "Average Difference" C 114 1.077 0.244 1.054 19872 28 1 5 "Average Difference" CA 117 1.209 0.519 1.097 19872 29 1 5 "Average Difference" CB 104 1.266 0.254 1.246 19872 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19872 31 1 6 "Average Difference" N 110 2.626 0.458 2.598 19872 32 1 6 "Average Difference" HA 117 0.317 0.139 0.286 19872 33 1 6 "Average Difference" C 114 0.988 0.265 0.956 19872 34 1 6 "Average Difference" CA 117 1.066 0.441 0.974 19872 35 1 6 "Average Difference" CB 104 1.210 0.335 1.169 19872 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19872 37 1 7 "Average Difference" N 110 2.865 0.457 2.841 19872 38 1 7 "Average Difference" HA 117 0.296 0.142 0.261 19872 39 1 7 "Average Difference" C 114 1.118 0.247 1.095 19872 40 1 7 "Average Difference" CA 117 1.107 0.450 1.016 19872 41 1 7 "Average Difference" CB 104 1.193 0.315 1.156 19872 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19872 43 1 8 "Average Difference" N 110 2.679 0.378 2.664 19872 44 1 8 "Average Difference" HA 117 0.266 0.134 0.232 19872 45 1 8 "Average Difference" C 114 1.068 0.363 1.008 19872 46 1 8 "Average Difference" CA 117 1.068 0.506 0.944 19872 47 1 8 "Average Difference" CB 104 1.172 0.282 1.143 19872 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19872 49 1 9 "Average Difference" N 110 3.112 0.290 3.112 19872 50 1 9 "Average Difference" HA 117 0.295 0.141 0.260 19872 51 1 9 "Average Difference" C 114 1.096 0.326 1.052 19872 52 1 9 "Average Difference" CA 117 1.174 0.434 1.096 19872 53 1 9 "Average Difference" CB 104 1.247 0.274 1.223 19872 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19872 55 1 10 "Average Difference" N 110 2.473 0.549 2.422 19872 56 1 10 "Average Difference" HA 117 0.299 0.165 0.251 19872 57 1 10 "Average Difference" C 114 1.044 0.275 1.012 19872 58 1 10 "Average Difference" CA 117 1.122 0.422 1.044 19872 59 1 10 "Average Difference" CB 104 1.246 0.373 1.195 19872 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19872 61 1 11 "Average Difference" N 110 2.648 0.379 2.633 19872 62 1 11 "Average Difference" HA 117 0.322 0.142 0.290 19872 63 1 11 "Average Difference" C 114 0.971 0.262 0.939 19872 64 1 11 "Average Difference" CA 117 1.011 0.447 0.910 19872 65 1 11 "Average Difference" CB 104 1.183 0.340 1.139 19872 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 19872 67 1 12 "Average Difference" N 110 2.807 0.430 2.786 19872 68 1 12 "Average Difference" HA 117 0.276 0.124 0.248 19872 69 1 12 "Average Difference" C 114 1.052 0.288 1.017 19872 70 1 12 "Average Difference" CA 117 1.082 0.507 0.960 19872 71 1 12 "Average Difference" CB 104 1.178 0.331 1.136 19872 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 19872 73 1 13 "Average Difference" N 110 2.635 0.499 2.599 19872 74 1 13 "Average Difference" HA 117 0.305 0.153 0.265 19872 75 1 13 "Average Difference" C 114 1.029 0.317 0.983 19872 76 1 13 "Average Difference" CA 117 1.021 0.455 0.918 19872 77 1 13 "Average Difference" CB 104 1.157 0.340 1.111 19872 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 19872 79 1 14 "Average Difference" N 110 2.713 0.558 2.667 19872 80 1 14 "Average Difference" HA 117 0.294 0.128 0.266 19872 81 1 14 "Average Difference" C 114 1.048 0.330 0.999 19872 82 1 14 "Average Difference" CA 117 1.146 0.480 1.045 19872 83 1 14 "Average Difference" CB 104 1.214 0.294 1.184 19872 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 19872 85 1 15 "Average Difference" N 110 2.974 0.351 2.967 19872 86 1 15 "Average Difference" HA 117 0.287 0.125 0.260 19872 87 1 15 "Average Difference" C 114 1.036 0.244 1.011 19872 88 1 15 "Average Difference" CA 117 1.176 0.506 1.067 19872 89 1 15 "Average Difference" CB 104 1.271 0.295 1.242 19872 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 19872 91 1 16 "Average Difference" N 110 2.680 0.434 2.656 19872 92 1 16 "Average Difference" HA 117 0.296 0.143 0.261 19872 93 1 16 "Average Difference" C 114 1.020 0.270 0.988 19872 94 1 16 "Average Difference" CA 117 1.046 0.396 0.972 19872 95 1 16 "Average Difference" CB 104 1.194 0.346 1.148 19872 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 19872 97 1 17 "Average Difference" N 110 2.778 0.448 2.754 19872 98 1 17 "Average Difference" HA 117 0.290 0.170 0.237 19872 99 1 17 "Average Difference" C 114 1.107 0.297 1.071 19872 100 1 17 "Average Difference" CA 117 1.120 0.485 1.014 19872 101 1 17 "Average Difference" CB 104 1.325 0.351 1.284 19872 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 19872 103 1 18 "Average Difference" N 110 2.659 0.415 2.639 19872 104 1 18 "Average Difference" HA 117 0.288 0.135 0.256 19872 105 1 18 "Average Difference" C 114 1.007 0.346 0.950 19872 106 1 18 "Average Difference" CA 117 1.069 0.464 0.967 19872 107 1 18 "Average Difference" CB 104 1.206 0.314 1.170 19872 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 19872 109 1 19 "Average Difference" N 110 2.875 0.444 2.853 19872 110 1 19 "Average Difference" HA 117 0.341 0.146 0.309 19872 111 1 19 "Average Difference" C 114 1.022 0.282 0.986 19872 112 1 19 "Average Difference" CA 117 1.128 0.463 1.033 19872 113 1 19 "Average Difference" CB 104 1.350 0.250 1.333 19872 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 19872 115 1 20 "Average Difference" N 110 2.835 0.294 2.833 19872 116 1 20 "Average Difference" HA 117 0.275 0.104 0.256 19872 117 1 20 "Average Difference" C 114 1.084 0.310 1.044 19872 118 1 20 "Average Difference" CA 117 1.175 0.505 1.066 19872 119 1 20 "Average Difference" CB 104 1.203 0.301 1.171 19872 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 19872 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 19872 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER HA H 2 4.360 4.360 4.420 -0.060 19872 2 1 . 1 1 2 2 SER C C 2 173.800 173.800 173.705 0.095 19872 3 1 . 1 1 2 2 SER CA C 2 58.000 58.000 58.445 -0.445 19872 4 1 . 1 1 2 2 SER CB C 2 63.100 63.100 63.735 -0.636 19872 5 1 . 1 1 3 3 PHE N N 3 122.000 122.000 120.705 1.295 19872 6 1 . 1 1 3 3 PHE HA H 3 4.610 4.610 4.653 -0.043 19872 7 1 . 1 1 3 3 PHE C C 3 175.300 175.300 175.492 -0.192 19872 8 1 . 1 1 3 3 PHE CA C 3 57.300 57.300 57.589 -0.289 19872 9 1 . 1 1 3 3 PHE CB C 3 39.300 39.300 39.654 -0.354 19872 10 1 . 1 1 4 4 THR N N 4 116.900 116.900 114.183 2.717 19872 11 1 . 1 1 4 4 THR HA H 4 4.180 4.180 4.412 -0.232 19872 12 1 . 1 1 4 4 THR C C 4 173.800 173.800 174.436 -0.636 19872 13 1 . 1 1 4 4 THR CA C 4 61.000 61.000 61.692 -0.692 19872 14 1 . 1 1 4 4 THR CB C 4 69.300 69.300 70.317 -1.017 19872 15 1 . 1 1 36 36 ALA N N 36 123.600 123.600 122.732 0.868 19872 16 1 . 1 1 36 36 ALA HA H 36 4.230 4.230 4.513 -0.282 19872 17 1 . 1 1 36 36 ALA C C 36 178.100 178.100 176.927 1.173 19872 18 1 . 1 1 36 36 ALA CA C 36 52.000 52.000 52.185 -0.185 19872 19 1 . 1 1 36 36 ALA CB C 36 18.700 18.700 19.999 -1.299 19872 20 1 . 1 1 37 37 GLY N N 37 108.200 108.200 106.708 1.492 19872 21 1 . 1 1 37 37 GLY C C 37 174.500 174.500 173.859 0.641 19872 22 1 . 1 1 37 37 GLY CA C 37 44.800 44.800 44.971 -0.171 19872 23 1 . 1 1 38 38 GLY N N 38 108.200 108.200 107.392 0.807 19872 24 1 . 1 1 38 38 GLY C C 38 174.500 174.500 174.459 0.041 19872 25 1 . 1 1 38 38 GLY CA C 38 44.700 44.700 44.892 -0.192 19872 26 1 . 1 1 39 39 GLY N N 39 108.600 108.600 108.446 0.154 19872 27 1 . 1 1 39 39 GLY C C 39 174.100 174.100 174.844 -0.744 19872 28 1 . 1 1 39 39 GLY CA C 39 44.800 44.800 45.071 -0.271 19872 29 1 . 1 1 40 40 GLY N N 40 107.700 107.700 109.267 -1.567 19872 30 1 . 1 1 40 40 GLY C C 40 174.100 174.100 174.015 0.085 19872 31 1 . 1 1 40 40 GLY CA C 40 44.700 44.700 44.846 -0.146 19872 32 1 . 1 1 41 41 SER N N 41 115.700 115.700 114.546 1.154 19872 33 1 . 1 1 41 41 SER HA H 41 4.220 4.220 4.300 -0.080 19872 34 1 . 1 1 41 41 SER C C 41 174.800 174.800 175.300 -0.500 19872 35 1 . 1 1 41 41 SER CA C 41 58.400 58.400 58.056 0.344 19872 36 1 . 1 1 41 41 SER CB C 41 63.100 63.100 63.950 -0.850 19872 37 1 . 1 1 42 42 ALA N N 42 124.700 124.700 125.221 -0.521 19872 38 1 . 1 1 42 42 ALA HA H 42 3.950 3.950 4.174 -0.224 19872 39 1 . 1 1 42 42 ALA C C 42 178.800 178.800 179.064 -0.264 19872 40 1 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.182 -0.482 19872 41 1 . 1 1 42 42 ALA CB C 42 17.700 17.700 18.767 -1.067 19872 42 1 . 1 1 43 43 GLU N N 43 116.700 116.700 116.882 -0.182 19872 43 1 . 1 1 43 43 GLU HA H 43 3.950 3.950 4.027 -0.077 19872 44 1 . 1 1 43 43 GLU C C 43 178.800 178.800 178.286 0.514 19872 45 1 . 1 1 43 43 GLU CA C 43 58.500 58.500 58.511 -0.011 19872 46 1 . 1 1 43 43 GLU CB C 43 28.600 28.600 28.737 -0.137 19872 47 1 . 1 1 44 44 GLN N N 44 119.400 119.400 120.215 -0.815 19872 48 1 . 1 1 44 44 GLN HA H 44 3.970 3.970 4.178 -0.208 19872 49 1 . 1 1 44 44 GLN C C 44 178.200 178.200 178.065 0.135 19872 50 1 . 1 1 44 44 GLN CA C 44 57.600 57.600 58.018 -0.418 19872 51 1 . 1 1 44 44 GLN CB C 44 28.100 28.100 28.804 -0.704 19872 52 1 . 1 1 45 45 LEU N N 45 121.700 121.700 120.565 1.135 19872 53 1 . 1 1 45 45 LEU HA H 45 3.570 3.570 3.719 -0.149 19872 54 1 . 1 1 45 45 LEU C C 45 177.300 177.300 178.795 -1.495 19872 55 1 . 1 1 45 45 LEU CA C 45 56.500 56.500 57.885 -1.385 19872 56 1 . 1 1 45 45 LEU CB C 45 39.500 39.500 40.437 -0.937 19872 57 1 . 1 1 46 46 ASP N N 46 118.000 118.000 119.226 -1.226 19872 58 1 . 1 1 46 46 ASP HA H 46 4.030 4.030 4.341 -0.311 19872 59 1 . 1 1 46 46 ASP C C 46 176.800 176.800 177.892 -1.092 19872 60 1 . 1 1 46 46 ASP CA C 46 56.600 56.600 57.485 -0.885 19872 61 1 . 1 1 46 46 ASP CB C 46 41.600 41.600 40.814 0.786 19872 62 1 . 1 1 47 47 ALA N N 47 116.100 116.100 121.230 -5.130 19872 63 1 . 1 1 47 47 ALA HA H 47 3.890 3.890 4.175 -0.285 19872 64 1 . 1 1 47 47 ALA C C 47 180.300 180.300 179.047 1.253 19872 65 1 . 1 1 47 47 ALA CA C 47 54.000 54.000 54.421 -0.421 19872 66 1 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.623 -1.223 19872 67 1 . 1 1 48 48 LEU N N 48 117.800 117.800 118.675 -0.875 19872 68 1 . 1 1 48 48 LEU HA H 48 3.840 3.840 4.034 -0.194 19872 69 1 . 1 1 48 48 LEU C C 48 180.100 180.100 179.214 0.886 19872 70 1 . 1 1 48 48 LEU CA C 48 57.400 57.400 57.556 -0.156 19872 71 1 . 1 1 48 48 LEU CB C 48 41.900 41.900 42.509 -0.609 19872 72 1 . 1 1 49 49 VAL N N 49 112.100 112.100 114.299 -2.199 19872 73 1 . 1 1 49 49 VAL HA H 49 3.880 3.880 3.858 0.022 19872 74 1 . 1 1 49 49 VAL C C 49 176.000 176.000 177.384 -1.384 19872 75 1 . 1 1 49 49 VAL CA C 49 64.200 64.200 65.336 -1.136 19872 76 1 . 1 1 49 49 VAL CB C 49 31.000 31.000 31.042 -0.042 19872 77 1 . 1 1 50 50 LYS N N 50 115.400 115.400 118.659 -3.259 19872 78 1 . 1 1 50 50 LYS HA H 50 4.160 4.160 4.392 -0.232 19872 79 1 . 1 1 50 50 LYS C C 50 177.900 177.900 177.223 0.677 19872 80 1 . 1 1 50 50 LYS CA C 50 56.200 56.200 55.778 0.422 19872 81 1 . 1 1 50 50 LYS CB C 50 32.400 32.400 31.548 0.852 19872 82 1 . 1 1 51 51 LYS N N 51 119.000 119.000 118.802 0.198 19872 83 1 . 1 1 51 51 LYS HA H 51 3.920 3.920 4.171 -0.251 19872 84 1 . 1 1 51 51 LYS C C 51 174.700 174.700 176.513 -1.813 19872 85 1 . 1 1 51 51 LYS CA C 51 58.000 58.000 58.142 -0.142 19872 86 1 . 1 1 51 51 LYS CB C 51 32.300 32.300 32.861 -0.561 19872 87 1 . 1 1 52 52 ASP N N 52 113.400 113.400 116.485 -3.085 19872 88 1 . 1 1 52 52 ASP HA H 52 4.990 4.990 4.823 0.167 19872 89 1 . 1 1 52 52 ASP C C 52 174.400 174.400 175.088 -0.688 19872 90 1 . 1 1 52 52 ASP CA C 52 51.800 51.800 52.676 -0.876 19872 91 1 . 1 1 52 52 ASP CB C 52 45.600 45.600 43.775 1.825 19872 92 1 . 1 1 53 53 LYS N N 53 119.500 119.500 118.737 0.763 19872 93 1 . 1 1 53 53 LYS HA H 53 4.010 4.010 4.374 -0.364 19872 94 1 . 1 1 53 53 LYS C C 53 176.100 176.100 176.215 -0.115 19872 95 1 . 1 1 53 53 LYS CA C 53 59.800 59.800 57.326 2.474 19872 96 1 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.849 -0.249 19872 97 1 . 1 1 54 54 VAL N N 54 117.700 117.700 118.891 -1.191 19872 98 1 . 1 1 54 54 VAL HA H 54 4.620 4.620 4.848 -0.228 19872 99 1 . 1 1 54 54 VAL C C 54 173.700 173.700 174.236 -0.536 19872 100 1 . 1 1 54 54 VAL CA C 54 60.900 60.900 60.803 0.098 19872 101 1 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.838 -0.537 19872 102 1 . 1 1 55 55 VAL N N 55 127.100 127.100 126.391 0.709 19872 103 1 . 1 1 55 55 VAL HA H 55 4.950 4.950 4.845 0.105 19872 104 1 . 1 1 55 55 VAL C C 55 174.400 174.400 174.956 -0.556 19872 105 1 . 1 1 55 55 VAL CA C 55 60.600 60.600 60.925 -0.325 19872 106 1 . 1 1 55 55 VAL CB C 55 35.200 35.200 32.975 2.225 19872 107 1 . 1 1 56 56 VAL N N 56 119.700 119.700 127.147 -7.447 19872 108 1 . 1 1 56 56 VAL HA H 56 5.440 5.440 5.046 0.394 19872 109 1 . 1 1 56 56 VAL C C 56 173.400 173.400 174.597 -1.197 19872 110 1 . 1 1 56 56 VAL CA C 56 58.000 58.000 60.971 -2.971 19872 111 1 . 1 1 56 56 VAL CB C 56 34.800 34.800 34.838 -0.038 19872 112 1 . 1 1 57 57 PHE N N 57 122.400 122.400 124.198 -1.798 19872 113 1 . 1 1 57 57 PHE HA H 57 5.210 5.210 5.200 0.010 19872 114 1 . 1 1 57 57 PHE C C 57 174.800 174.800 174.064 0.736 19872 115 1 . 1 1 57 57 PHE CA C 57 56.400 56.400 57.353 -0.953 19872 116 1 . 1 1 57 57 PHE CB C 57 40.700 40.700 41.460 -0.760 19872 117 1 . 1 1 58 58 LEU N N 58 120.500 120.500 120.242 0.258 19872 118 1 . 1 1 58 58 LEU HA H 58 4.700 4.700 4.994 -0.294 19872 119 1 . 1 1 58 58 LEU C C 58 175.500 175.500 175.576 -0.076 19872 120 1 . 1 1 58 58 LEU CA C 58 53.000 53.000 53.877 -0.877 19872 121 1 . 1 1 58 58 LEU CB C 58 45.100 45.100 45.418 -0.318 19872 122 1 . 1 1 59 59 LYS N N 59 117.800 117.800 120.474 -2.674 19872 123 1 . 1 1 59 59 LYS HA H 59 4.350 4.350 4.420 -0.070 19872 124 1 . 1 1 59 59 LYS C C 59 175.200 175.200 175.925 -0.725 19872 125 1 . 1 1 59 59 LYS CA C 59 56.100 56.100 56.238 -0.138 19872 126 1 . 1 1 59 59 LYS CB C 59 31.300 31.300 30.542 0.758 19872 127 1 . 1 1 60 60 GLY N N 60 114.800 114.800 109.836 4.964 19872 128 1 . 1 1 60 60 GLY C C 60 170.300 170.300 172.510 -2.210 19872 129 1 . 1 1 60 60 GLY CA C 60 43.900 43.900 45.604 -1.704 19872 130 1 . 1 1 61 61 THR N N 61 107.800 107.800 110.655 -2.855 19872 131 1 . 1 1 61 61 THR HA H 61 4.740 4.740 4.984 -0.244 19872 132 1 . 1 1 61 61 THR C C 61 173.100 173.100 173.639 -0.539 19872 133 1 . 1 1 61 61 THR CA C 61 57.400 57.400 58.879 -1.479 19872 134 1 . 1 1 61 61 THR CB C 61 68.800 68.800 70.461 -1.661 19872 135 1 . 1 1 62 62 PRO HA H 62 3.970 3.970 4.419 -0.449 19872 136 1 . 1 1 62 62 PRO C C 62 177.200 177.200 177.257 -0.057 19872 137 1 . 1 1 62 62 PRO CA C 62 64.900 64.900 64.834 0.066 19872 138 1 . 1 1 62 62 PRO CB C 62 31.100 31.100 32.179 -1.079 19872 139 1 . 1 1 63 63 GLU N N 63 111.900 111.900 115.731 -3.831 19872 140 1 . 1 1 63 63 GLU HA H 63 3.940 3.940 4.327 -0.387 19872 141 1 . 1 1 63 63 GLU C C 63 176.500 176.500 176.752 -0.252 19872 142 1 . 1 1 63 63 GLU CA C 63 58.100 58.100 56.749 1.351 19872 143 1 . 1 1 63 63 GLU CB C 63 29.200 29.200 29.402 -0.202 19872 144 1 . 1 1 64 64 GLN N N 64 117.700 117.700 119.730 -2.030 19872 145 1 . 1 1 64 64 GLN HA H 64 4.480 4.480 4.782 -0.302 19872 146 1 . 1 1 64 64 GLN C C 64 171.500 171.500 173.637 -2.137 19872 147 1 . 1 1 64 64 GLN CA C 64 52.400 52.400 52.508 -0.108 19872 148 1 . 1 1 64 64 GLN CB C 64 29.100 29.100 30.386 -1.286 19872 149 1 . 1 1 65 65 PRO HA H 65 4.550 4.550 4.605 -0.055 19872 150 1 . 1 1 65 65 PRO C C 65 177.900 177.900 177.247 0.653 19872 151 1 . 1 1 65 65 PRO CA C 65 63.000 63.000 62.801 0.199 19872 152 1 . 1 1 65 65 PRO CB C 65 31.700 31.700 31.533 0.167 19872 153 1 . 1 1 66 66 GLN N N 66 119.700 119.700 122.438 -2.738 19872 154 1 . 1 1 66 66 GLN HA H 66 4.500 4.500 3.998 0.502 19872 155 1 . 1 1 66 66 GLN C C 66 174.400 174.400 175.837 -1.437 19872 156 1 . 1 1 66 66 GLN CA C 66 54.600 54.600 57.892 -3.292 19872 157 1 . 1 1 66 66 GLN CB C 66 29.100 29.100 28.531 0.569 19872 158 1 . 1 1 67 67 CYS N N 67 116.700 116.700 116.276 0.424 19872 159 1 . 1 1 67 67 CYS HA H 67 4.700 4.700 4.592 0.108 19872 160 1 . 1 1 67 67 CYS C C 67 176.500 176.500 174.576 1.924 19872 161 1 . 1 1 67 67 CYS CA C 67 58.700 58.700 57.684 1.016 19872 162 1 . 1 1 67 67 CYS CB C 67 32.800 32.800 29.029 3.771 19872 163 1 . 1 1 68 68 GLY C C 68 176.500 176.500 174.879 1.621 19872 164 1 . 1 1 68 68 GLY CA C 68 45.900 45.900 45.884 0.016 19872 165 1 . 1 1 69 69 PHE N N 69 125.800 125.800 116.549 9.251 19872 166 1 . 1 1 69 69 PHE HA H 69 4.710 4.710 4.199 0.511 19872 167 1 . 1 1 69 69 PHE C C 69 178.300 178.300 176.436 1.864 19872 168 1 . 1 1 69 69 PHE CA C 69 59.900 59.900 58.792 1.108 19872 169 1 . 1 1 69 69 PHE CB C 69 37.900 37.900 37.717 0.184 19872 170 1 . 1 1 70 70 SER N N 70 124.200 124.200 115.949 8.251 19872 171 1 . 1 1 70 70 SER HA H 70 3.980 3.980 4.158 -0.178 19872 172 1 . 1 1 70 70 SER CA C 70 63.800 63.800 61.705 2.095 19872 173 1 . 1 1 70 70 SER CB C 70 62.000 62.000 63.134 -1.134 19872 174 1 . 1 1 71 71 ASN N N 71 118.500 118.500 119.972 -1.472 19872 175 1 . 1 1 71 71 ASN HA H 71 4.150 4.150 4.534 -0.384 19872 176 1 . 1 1 71 71 ASN C C 71 175.800 175.800 176.639 -0.839 19872 177 1 . 1 1 71 71 ASN CA C 71 56.400 56.400 55.567 0.833 19872 178 1 . 1 1 71 71 ASN CB C 71 38.800 38.800 38.013 0.787 19872 179 1 . 1 1 72 72 ALA N N 72 119.900 119.900 123.028 -3.128 19872 180 1 . 1 1 72 72 ALA HA H 72 3.980 3.980 4.052 -0.072 19872 181 1 . 1 1 72 72 ALA C C 72 179.700 179.700 179.629 0.071 19872 182 1 . 1 1 72 72 ALA CA C 72 54.800 54.800 54.911 -0.111 19872 183 1 . 1 1 72 72 ALA CB C 72 17.700 17.700 18.092 -0.392 19872 184 1 . 1 1 73 73 VAL N N 73 115.700 115.700 114.640 1.060 19872 185 1 . 1 1 73 73 VAL HA H 73 3.340 3.340 3.667 -0.327 19872 186 1 . 1 1 73 73 VAL C C 73 176.300 176.300 177.452 -1.152 19872 187 1 . 1 1 73 73 VAL CA C 73 66.200 66.200 65.788 0.412 19872 188 1 . 1 1 73 73 VAL CB C 73 31.100 31.100 31.298 -0.198 19872 189 1 . 1 1 74 74 VAL N N 74 118.100 118.100 120.835 -2.735 19872 190 1 . 1 1 74 74 VAL HA H 74 3.330 3.330 3.601 -0.271 19872 191 1 . 1 1 74 74 VAL C C 74 178.800 178.800 178.206 0.594 19872 192 1 . 1 1 74 74 VAL CA C 74 66.100 66.100 66.107 -0.007 19872 193 1 . 1 1 74 74 VAL CB C 74 31.100 31.100 31.098 0.002 19872 194 1 . 1 1 75 75 GLN N N 75 119.000 119.000 119.749 -0.749 19872 195 1 . 1 1 75 75 GLN HA H 75 3.910 3.910 4.004 -0.094 19872 196 1 . 1 1 75 75 GLN C C 75 178.500 178.500 178.822 -0.322 19872 197 1 . 1 1 75 75 GLN CA C 75 57.900 57.900 58.968 -1.068 19872 198 1 . 1 1 75 75 GLN CB C 75 27.100 27.100 28.249 -1.149 19872 199 1 . 1 1 76 76 ILE N N 76 120.600 120.600 120.432 0.168 19872 200 1 . 1 1 76 76 ILE HA H 76 3.320 3.320 3.450 -0.130 19872 201 1 . 1 1 76 76 ILE C C 76 177.600 177.600 178.311 -0.711 19872 202 1 . 1 1 76 76 ILE CA C 76 64.700 64.700 65.157 -0.457 19872 203 1 . 1 1 76 76 ILE CB C 76 36.900 36.900 37.623 -0.723 19872 204 1 . 1 1 77 77 LEU N N 77 117.800 117.800 119.915 -2.115 19872 205 1 . 1 1 77 77 LEU HA H 77 3.730 3.730 3.964 -0.234 19872 206 1 . 1 1 77 77 LEU C C 77 178.400 178.400 179.131 -0.731 19872 207 1 . 1 1 77 77 LEU CA C 77 58.100 58.100 58.505 -0.405 19872 208 1 . 1 1 77 77 LEU CB C 77 39.400 39.400 41.561 -2.161 19872 209 1 . 1 1 78 78 ARG N N 78 118.800 118.800 119.511 -0.711 19872 210 1 . 1 1 78 78 ARG HA H 78 4.080 4.080 4.273 -0.193 19872 211 1 . 1 1 78 78 ARG C C 78 180.800 180.800 179.400 1.400 19872 212 1 . 1 1 78 78 ARG CA C 78 58.900 58.900 58.986 -0.086 19872 213 1 . 1 1 78 78 ARG CB C 78 29.300 29.300 29.798 -0.498 19872 214 1 . 1 1 79 79 LEU N N 79 123.200 123.200 121.323 1.877 19872 215 1 . 1 1 79 79 LEU HA H 79 3.890 3.890 4.053 -0.163 19872 216 1 . 1 1 79 79 LEU C C 79 178.200 178.200 178.464 -0.264 19872 217 1 . 1 1 79 79 LEU CA C 79 57.500 57.500 57.515 -0.015 19872 218 1 . 1 1 79 79 LEU CB C 79 41.500 41.500 41.857 -0.357 19872 219 1 . 1 1 80 80 HIS N N 80 112.200 112.200 114.590 -2.389 19872 220 1 . 1 1 80 80 HIS HA H 80 4.100 4.100 4.578 -0.478 19872 221 1 . 1 1 80 80 HIS C C 80 176.000 176.000 176.576 -0.576 19872 222 1 . 1 1 80 80 HIS CA C 80 58.000 58.000 57.626 0.374 19872 223 1 . 1 1 80 80 HIS CB C 80 31.700 31.700 30.048 1.652 19872 224 1 . 1 1 81 81 GLY N N 81 111.700 111.700 107.738 3.962 19872 225 1 . 1 1 81 81 GLY C C 81 174.000 174.000 174.007 -0.007 19872 226 1 . 1 1 81 81 GLY CA C 81 45.600 45.600 45.545 0.055 19872 227 1 . 1 1 82 82 VAL N N 82 120.400 120.400 122.289 -1.889 19872 228 1 . 1 1 82 82 VAL HA H 82 3.810 3.810 4.375 -0.565 19872 229 1 . 1 1 82 82 VAL C C 82 174.800 174.800 175.314 -0.514 19872 230 1 . 1 1 82 82 VAL CA C 82 62.200 62.200 61.799 0.401 19872 231 1 . 1 1 82 82 VAL CB C 82 29.700 29.700 32.268 -2.568 19872 232 1 . 1 1 83 83 ARG N N 83 126.600 126.600 124.553 2.047 19872 233 1 . 1 1 83 83 ARG HA H 83 4.360 4.360 4.407 -0.047 19872 234 1 . 1 1 83 83 ARG C C 83 176.000 176.000 175.528 0.472 19872 235 1 . 1 1 83 83 ARG CA C 83 55.600 55.600 55.820 -0.220 19872 236 1 . 1 1 83 83 ARG CB C 83 31.100 31.100 30.968 0.132 19872 237 1 . 1 1 84 84 ASP N N 84 118.400 118.400 119.437 -1.037 19872 238 1 . 1 1 84 84 ASP HA H 84 4.550 4.550 4.481 0.069 19872 239 1 . 1 1 84 84 ASP C C 84 174.200 174.200 175.242 -1.042 19872 240 1 . 1 1 84 84 ASP CA C 84 53.000 53.000 53.387 -0.387 19872 241 1 . 1 1 84 84 ASP CB C 84 40.000 40.000 40.450 -0.450 19872 242 1 . 1 1 85 85 TYR N N 85 116.200 116.200 116.632 -0.432 19872 243 1 . 1 1 85 85 TYR HA H 85 4.750 4.750 4.872 -0.122 19872 244 1 . 1 1 85 85 TYR C C 85 173.100 173.100 175.665 -2.565 19872 245 1 . 1 1 85 85 TYR CA C 85 55.000 55.000 56.286 -1.286 19872 246 1 . 1 1 85 85 TYR CB C 85 39.200 39.200 38.791 0.409 19872 247 1 . 1 1 86 86 ALA N N 86 125.000 125.000 123.346 1.654 19872 248 1 . 1 1 86 86 ALA HA H 86 4.220 4.220 4.578 -0.358 19872 249 1 . 1 1 86 86 ALA C C 86 174.300 174.300 175.744 -1.444 19872 250 1 . 1 1 86 86 ALA CA C 86 50.800 50.800 50.693 0.107 19872 251 1 . 1 1 86 86 ALA CB C 86 20.400 20.400 19.873 0.527 19872 252 1 . 1 1 87 87 ALA N N 87 124.400 124.400 129.505 -5.105 19872 253 1 . 1 1 87 87 ALA HA H 87 5.170 5.170 4.561 0.609 19872 254 1 . 1 1 87 87 ALA C C 87 175.400 175.400 176.126 -0.726 19872 255 1 . 1 1 87 87 ALA CA C 87 48.900 48.900 50.901 -2.001 19872 256 1 . 1 1 87 87 ALA CB C 87 21.400 21.400 18.986 2.414 19872 257 1 . 1 1 88 88 TYR N N 88 121.100 121.100 124.457 -3.357 19872 258 1 . 1 1 88 88 TYR HA H 88 4.490 4.490 4.239 0.252 19872 259 1 . 1 1 88 88 TYR C C 88 174.100 174.100 174.959 -0.859 19872 260 1 . 1 1 88 88 TYR CA C 88 56.900 56.900 58.023 -1.123 19872 261 1 . 1 1 88 88 TYR CB C 88 40.200 40.200 38.788 1.412 19872 262 1 . 1 1 89 89 ASN N N 89 122.300 122.300 123.945 -1.645 19872 263 1 . 1 1 89 89 ASN HA H 89 5.190 5.190 5.188 0.002 19872 264 1 . 1 1 89 89 ASN C C 89 178.000 178.000 176.476 1.524 19872 265 1 . 1 1 89 89 ASN CA C 89 50.800 50.800 52.660 -1.860 19872 266 1 . 1 1 89 89 ASN CB C 89 38.000 38.000 38.773 -0.773 19872 267 1 . 1 1 90 90 VAL N N 90 117.900 117.900 121.571 -3.671 19872 268 1 . 1 1 90 90 VAL HA H 90 4.180 4.180 4.163 0.017 19872 269 1 . 1 1 90 90 VAL C C 90 176.700 176.700 175.806 0.894 19872 270 1 . 1 1 90 90 VAL CA C 90 62.200 62.200 63.305 -1.105 19872 271 1 . 1 1 90 90 VAL CB C 90 30.500 30.500 31.255 -0.755 19872 272 1 . 1 1 91 91 LEU N N 91 118.900 118.900 119.902 -1.002 19872 273 1 . 1 1 91 91 LEU HA H 91 4.060 4.060 4.173 -0.113 19872 274 1 . 1 1 91 91 LEU C C 91 177.500 177.500 178.358 -0.858 19872 275 1 . 1 1 91 91 LEU CA C 91 56.000 56.000 56.847 -0.847 19872 276 1 . 1 1 91 91 LEU CB C 91 40.400 40.400 41.651 -1.251 19872 277 1 . 1 1 92 92 ASP N N 92 115.500 115.500 118.874 -3.374 19872 278 1 . 1 1 92 92 ASP HA H 92 4.670 4.670 4.561 0.109 19872 279 1 . 1 1 92 92 ASP C C 92 175.500 175.500 176.152 -0.652 19872 280 1 . 1 1 92 92 ASP CA C 92 54.100 54.100 56.015 -1.916 19872 281 1 . 1 1 92 92 ASP CB C 92 41.000 41.000 41.652 -0.652 19872 282 1 . 1 1 93 93 ASP N N 93 115.000 115.000 118.350 -3.350 19872 283 1 . 1 1 93 93 ASP HA H 93 5.030 5.030 5.102 -0.072 19872 284 1 . 1 1 93 93 ASP C C 93 172.800 172.800 175.048 -2.248 19872 285 1 . 1 1 93 93 ASP CA C 93 50.500 50.500 51.796 -1.296 19872 286 1 . 1 1 93 93 ASP CB C 93 41.900 41.900 42.917 -1.017 19872 287 1 . 1 1 94 94 PRO HA H 94 4.270 4.270 4.373 -0.103 19872 288 1 . 1 1 94 94 PRO C C 94 179.300 179.300 178.230 1.070 19872 289 1 . 1 1 94 94 PRO CA C 94 64.100 64.100 64.932 -0.832 19872 290 1 . 1 1 94 94 PRO CB C 94 31.800 31.800 32.378 -0.578 19872 291 1 . 1 1 95 95 GLU N N 95 118.600 118.600 118.866 -0.266 19872 292 1 . 1 1 95 95 GLU HA H 95 4.040 4.040 4.110 -0.070 19872 293 1 . 1 1 95 95 GLU C C 95 179.500 179.500 179.007 0.493 19872 294 1 . 1 1 95 95 GLU CA C 95 58.600 58.600 59.384 -0.784 19872 295 1 . 1 1 95 95 GLU CB C 95 28.600 28.600 28.633 -0.033 19872 296 1 . 1 1 96 96 LEU N N 96 123.800 123.800 120.401 3.399 19872 297 1 . 1 1 96 96 LEU HA H 96 3.890 3.890 4.033 -0.143 19872 298 1 . 1 1 96 96 LEU C C 96 177.200 177.200 178.849 -1.649 19872 299 1 . 1 1 96 96 LEU CA C 96 57.100 57.100 57.461 -0.361 19872 300 1 . 1 1 96 96 LEU CB C 96 41.300 41.300 41.781 -0.481 19872 301 1 . 1 1 97 97 ARG N N 97 117.900 117.900 119.443 -1.543 19872 302 1 . 1 1 97 97 ARG HA H 97 3.540 3.540 3.884 -0.345 19872 303 1 . 1 1 97 97 ARG C C 97 176.400 176.400 178.424 -2.024 19872 304 1 . 1 1 97 97 ARG CA C 97 59.900 59.900 60.063 -0.163 19872 305 1 . 1 1 97 97 ARG CB C 97 30.400 30.400 30.043 0.357 19872 306 1 . 1 1 98 98 GLN N N 98 114.400 114.400 118.110 -3.710 19872 307 1 . 1 1 98 98 GLN HA H 98 3.820 3.820 4.109 -0.289 19872 308 1 . 1 1 98 98 GLN C C 98 177.500 177.500 178.427 -0.927 19872 309 1 . 1 1 98 98 GLN CA C 98 56.900 56.900 58.762 -1.862 19872 310 1 . 1 1 98 98 GLN CB C 98 28.000 28.000 28.507 -0.507 19872 311 1 . 1 1 99 99 GLY N N 99 107.700 107.700 108.447 -0.747 19872 312 1 . 1 1 99 99 GLY C C 99 176.700 176.700 176.154 0.546 19872 313 1 . 1 1 99 99 GLY CA C 99 46.500 46.500 47.304 -0.804 19872 314 1 . 1 1 100 100 ILE N N 100 120.900 120.900 122.320 -1.420 19872 315 1 . 1 1 100 100 ILE HA H 100 3.980 3.980 3.890 0.090 19872 316 1 . 1 1 100 100 ILE C C 100 176.800 176.800 177.452 -0.652 19872 317 1 . 1 1 100 100 ILE CA C 100 60.500 60.500 61.084 -0.584 19872 318 1 . 1 1 100 100 ILE CB C 100 37.500 37.500 37.974 -0.474 19872 319 1 . 1 1 101 101 LYS N N 101 124.600 124.600 121.111 3.489 19872 320 1 . 1 1 101 101 LYS HA H 101 4.080 4.080 4.264 -0.184 19872 321 1 . 1 1 101 101 LYS C C 101 178.900 178.900 178.684 0.216 19872 322 1 . 1 1 101 101 LYS CA C 101 58.700 58.700 59.841 -1.140 19872 323 1 . 1 1 101 101 LYS CB C 101 31.800 31.800 32.182 -0.382 19872 324 1 . 1 1 102 102 ASP N N 102 118.700 118.700 118.914 -0.214 19872 325 1 . 1 1 102 102 ASP HA H 102 4.250 4.250 4.482 -0.232 19872 326 1 . 1 1 102 102 ASP C C 102 177.700 177.700 178.890 -1.190 19872 327 1 . 1 1 102 102 ASP CA C 102 56.200 56.200 57.051 -0.851 19872 328 1 . 1 1 102 102 ASP CB C 102 39.700 39.700 41.134 -1.434 19872 329 1 . 1 1 103 103 TYR N N 103 120.300 120.300 120.761 -0.461 19872 330 1 . 1 1 103 103 TYR HA H 103 4.060 4.060 4.215 -0.155 19872 331 1 . 1 1 103 103 TYR C C 103 176.600 176.600 177.237 -0.637 19872 332 1 . 1 1 103 103 TYR CA C 103 60.500 60.500 60.975 -0.475 19872 333 1 . 1 1 103 103 TYR CB C 103 39.900 39.900 38.855 1.045 19872 334 1 . 1 1 104 104 SER N N 104 110.900 110.900 113.370 -2.470 19872 335 1 . 1 1 104 104 SER HA H 104 3.900 3.900 4.360 -0.460 19872 336 1 . 1 1 104 104 SER C C 104 174.600 174.600 174.432 0.168 19872 337 1 . 1 1 104 104 SER CA C 104 57.700 57.700 58.756 -1.056 19872 338 1 . 1 1 104 104 SER CB C 104 63.900 63.900 63.914 -0.014 19872 339 1 . 1 1 105 105 ASN N N 105 117.900 117.900 117.109 0.791 19872 340 1 . 1 1 105 105 ASN HA H 105 4.200 4.200 4.492 -0.292 19872 341 1 . 1 1 105 105 ASN C C 105 173.200 173.200 174.138 -0.938 19872 342 1 . 1 1 105 105 ASN CA C 105 53.800 53.800 54.919 -1.119 19872 343 1 . 1 1 105 105 ASN CB C 105 37.200 37.200 38.091 -0.891 19872 344 1 . 1 1 106 106 TRP N N 106 120.600 120.600 118.575 2.025 19872 345 1 . 1 1 106 106 TRP HA H 106 5.080 5.080 5.061 0.019 19872 346 1 . 1 1 106 106 TRP C C 106 175.400 175.400 174.896 0.504 19872 347 1 . 1 1 106 106 TRP CA C 106 53.500 53.500 55.172 -1.672 19872 348 1 . 1 1 106 106 TRP CB C 106 31.000 31.000 31.300 -0.300 19872 349 1 . 1 1 107 107 PRO HA H 107 4.170 4.170 4.355 -0.185 19872 350 1 . 1 1 107 107 PRO C C 107 175.900 175.900 176.350 -0.450 19872 351 1 . 1 1 107 107 PRO CA C 107 63.700 63.700 64.809 -1.109 19872 352 1 . 1 1 107 107 PRO CB C 107 31.600 31.600 32.135 -0.535 19872 353 1 . 1 1 108 108 THR N N 108 110.500 110.500 111.447 -0.947 19872 354 1 . 1 1 108 108 THR HA H 108 4.300 4.300 4.518 -0.218 19872 355 1 . 1 1 108 108 THR C C 108 171.400 171.400 173.024 -1.624 19872 356 1 . 1 1 108 108 THR CA C 108 60.400 60.400 61.854 -1.454 19872 357 1 . 1 1 108 108 THR CB C 108 70.400 70.400 69.893 0.507 19872 358 1 . 1 1 109 109 ILE N N 109 123.100 123.100 123.895 -0.795 19872 359 1 . 1 1 109 109 ILE HA H 109 4.260 4.260 4.603 -0.343 19872 360 1 . 1 1 109 109 ILE C C 109 175.000 175.000 173.693 1.307 19872 361 1 . 1 1 109 109 ILE CA C 109 55.900 55.900 57.538 -1.638 19872 362 1 . 1 1 109 109 ILE CB C 109 40.100 40.100 40.130 -0.030 19872 363 1 . 1 1 110 110 PRO HA H 110 5.340 5.340 5.059 0.281 19872 364 1 . 1 1 110 110 PRO C C 110 175.600 175.600 175.635 -0.035 19872 365 1 . 1 1 110 110 PRO CA C 110 61.500 61.500 62.248 -0.748 19872 366 1 . 1 1 110 110 PRO CB C 110 37.500 37.500 33.061 4.439 19872 367 1 . 1 1 111 111 GLN N N 111 114.700 114.700 119.151 -4.451 19872 368 1 . 1 1 111 111 GLN HA H 111 4.930 4.930 5.232 -0.302 19872 369 1 . 1 1 111 111 GLN C C 111 174.100 174.100 174.202 -0.102 19872 370 1 . 1 1 111 111 GLN CA C 111 55.400 55.400 54.537 0.863 19872 371 1 . 1 1 111 111 GLN CB C 111 33.900 33.900 33.195 0.705 19872 372 1 . 1 1 112 112 VAL N N 112 121.000 121.000 119.236 1.764 19872 373 1 . 1 1 112 112 VAL HA H 112 4.780 4.780 5.217 -0.437 19872 374 1 . 1 1 112 112 VAL C C 112 172.300 172.300 173.553 -1.253 19872 375 1 . 1 1 112 112 VAL CA C 112 61.200 61.200 60.081 1.119 19872 376 1 . 1 1 112 112 VAL CB C 112 33.500 33.500 35.703 -2.203 19872 377 1 . 1 1 113 113 TYR N N 113 128.400 128.400 125.203 3.197 19872 378 1 . 1 1 113 113 TYR HA H 113 4.970 4.970 5.238 -0.268 19872 379 1 . 1 1 113 113 TYR C C 113 173.800 173.800 174.557 -0.757 19872 380 1 . 1 1 113 113 TYR CA C 113 56.700 56.700 56.612 0.088 19872 381 1 . 1 1 113 113 TYR CB C 113 41.000 41.000 40.879 0.121 19872 382 1 . 1 1 114 114 LEU N N 114 117.900 117.900 123.765 -5.865 19872 383 1 . 1 1 114 114 LEU HA H 114 5.330 5.330 5.200 0.130 19872 384 1 . 1 1 114 114 LEU C C 114 178.300 178.300 177.556 0.744 19872 385 1 . 1 1 114 114 LEU CA C 114 52.100 52.100 53.737 -1.637 19872 386 1 . 1 1 114 114 LEU CB C 114 43.300 43.300 43.620 -0.320 19872 387 1 . 1 1 115 115 ASN N N 115 125.000 125.000 123.213 1.787 19872 388 1 . 1 1 115 115 ASN HA H 115 4.500 4.500 4.427 0.073 19872 389 1 . 1 1 115 115 ASN C C 115 175.500 175.500 175.566 -0.066 19872 390 1 . 1 1 115 115 ASN CA C 115 52.700 52.700 54.208 -1.508 19872 391 1 . 1 1 115 115 ASN CB C 115 38.700 38.700 38.045 0.655 19872 392 1 . 1 1 116 116 GLY N N 116 105.000 105.000 102.732 2.268 19872 393 1 . 1 1 116 116 GLY C C 116 172.900 172.900 173.447 -0.547 19872 394 1 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.726 -0.626 19872 395 1 . 1 1 117 117 GLU N N 117 118.900 118.900 119.949 -1.049 19872 396 1 . 1 1 117 117 GLU HA H 117 4.750 4.750 4.879 -0.129 19872 397 1 . 1 1 117 117 GLU C C 117 174.700 174.700 175.006 -0.306 19872 398 1 . 1 1 117 117 GLU CA C 117 54.000 54.000 54.303 -0.303 19872 399 1 . 1 1 117 117 GLU CB C 117 31.600 31.600 32.702 -1.102 19872 400 1 . 1 1 118 118 PHE N N 118 124.400 124.400 124.912 -0.512 19872 401 1 . 1 1 118 118 PHE HA H 118 3.190 3.190 4.212 -1.022 19872 402 1 . 1 1 118 118 PHE C C 118 175.500 175.500 174.969 0.531 19872 403 1 . 1 1 118 118 PHE CA C 118 57.500 57.500 57.936 -0.436 19872 404 1 . 1 1 118 118 PHE CB C 118 38.100 38.100 39.509 -1.409 19872 405 1 . 1 1 119 119 VAL N N 119 126.900 126.900 124.600 2.300 19872 406 1 . 1 1 119 119 VAL HA H 119 3.710 3.710 4.133 -0.422 19872 407 1 . 1 1 119 119 VAL C C 119 174.200 174.200 174.602 -0.402 19872 408 1 . 1 1 119 119 VAL CA C 119 61.900 61.900 61.984 -0.084 19872 409 1 . 1 1 119 119 VAL CB C 119 32.400 32.400 34.119 -1.719 19872 410 1 . 1 1 120 120 GLY N N 120 101.400 101.400 106.272 -4.872 19872 411 1 . 1 1 120 120 GLY CA C 120 44.100 44.100 44.856 -0.756 19872 412 1 . 1 1 121 121 GLY N N 121 106.300 106.300 106.240 0.060 19872 413 1 . 1 1 121 121 GLY C C 121 173.100 173.100 174.977 -1.877 19872 414 1 . 1 1 121 121 GLY CA C 121 43.200 43.200 43.680 -0.480 19872 415 1 . 1 1 122 122 CYS N N 122 119.400 119.400 119.505 -0.105 19872 416 1 . 1 1 122 122 CYS HA H 122 3.660 3.660 4.073 -0.413 19872 417 1 . 1 1 122 122 CYS C C 122 174.800 174.800 176.078 -1.278 19872 418 1 . 1 1 122 122 CYS CA C 122 61.800 61.800 61.859 -0.059 19872 419 1 . 1 1 122 122 CYS CB C 122 26.600 26.600 26.883 -0.283 19872 420 1 . 1 1 123 123 ASP N N 123 117.700 117.700 119.521 -1.821 19872 421 1 . 1 1 123 123 ASP HA H 123 4.240 4.240 4.414 -0.174 19872 422 1 . 1 1 123 123 ASP C C 123 179.100 179.100 177.695 1.405 19872 423 1 . 1 1 123 123 ASP CA C 123 57.700 57.700 56.922 0.778 19872 424 1 . 1 1 123 123 ASP CB C 123 39.200 39.200 40.817 -1.617 19872 425 1 . 1 1 124 124 ILE N N 124 120.700 120.700 119.672 1.029 19872 426 1 . 1 1 124 124 ILE HA H 124 3.720 3.720 3.837 -0.117 19872 427 1 . 1 1 124 124 ILE C C 124 177.200 177.200 177.856 -0.656 19872 428 1 . 1 1 124 124 ILE CA C 124 63.100 63.100 62.774 0.326 19872 429 1 . 1 1 124 124 ILE CB C 124 37.000 37.000 37.611 -0.611 19872 430 1 . 1 1 125 125 LEU N N 125 122.000 122.000 121.874 0.126 19872 431 1 . 1 1 125 125 LEU HA H 125 3.830 3.830 3.968 -0.138 19872 432 1 . 1 1 125 125 LEU C C 125 178.800 178.800 178.488 0.312 19872 433 1 . 1 1 125 125 LEU CA C 125 57.400 57.400 58.449 -1.049 19872 434 1 . 1 1 125 125 LEU CB C 125 40.800 40.800 41.659 -0.859 19872 435 1 . 1 1 126 126 LEU N N 126 118.200 118.200 116.611 1.589 19872 436 1 . 1 1 126 126 LEU HA H 126 3.960 3.960 4.077 -0.117 19872 437 1 . 1 1 126 126 LEU C C 126 179.100 179.100 178.464 0.636 19872 438 1 . 1 1 126 126 LEU CA C 126 57.800 57.800 57.177 0.623 19872 439 1 . 1 1 126 126 LEU CB C 126 40.800 40.800 40.830 -0.030 19872 440 1 . 1 1 127 127 GLN N N 127 119.900 119.900 117.906 1.994 19872 441 1 . 1 1 127 127 GLN HA H 127 3.970 3.970 4.172 -0.202 19872 442 1 . 1 1 127 127 GLN C C 127 178.200 178.200 178.332 -0.132 19872 443 1 . 1 1 127 127 GLN CA C 127 59.000 59.000 58.059 0.941 19872 444 1 . 1 1 127 127 GLN CB C 127 27.900 27.900 28.781 -0.881 19872 445 1 . 1 1 128 128 MET N N 128 117.500 117.500 118.432 -0.932 19872 446 1 . 1 1 128 128 MET HA H 128 4.360 4.360 4.265 0.095 19872 447 1 . 1 1 128 128 MET C C 128 179.600 179.600 178.835 0.765 19872 448 1 . 1 1 128 128 MET CA C 128 57.800 57.800 58.846 -1.046 19872 449 1 . 1 1 128 128 MET CB C 128 33.500 33.500 32.589 0.911 19872 450 1 . 1 1 129 129 HIS N N 129 122.300 122.300 119.849 2.451 19872 451 1 . 1 1 129 129 HIS HA H 129 4.350 4.350 4.355 -0.005 19872 452 1 . 1 1 129 129 HIS C C 129 177.000 177.000 177.649 -0.649 19872 453 1 . 1 1 129 129 HIS CA C 129 59.200 59.200 60.050 -0.850 19872 454 1 . 1 1 129 129 HIS CB C 129 31.100 31.100 29.795 1.305 19872 455 1 . 1 1 130 130 GLN N N 130 116.700 116.700 117.016 -0.316 19872 456 1 . 1 1 130 130 GLN HA H 130 3.760 3.760 4.084 -0.324 19872 457 1 . 1 1 130 130 GLN C C 130 177.600 177.600 177.620 -0.020 19872 458 1 . 1 1 130 130 GLN CA C 130 57.800 57.800 57.268 0.532 19872 459 1 . 1 1 130 130 GLN CB C 130 28.300 28.300 29.187 -0.887 19872 460 1 . 1 1 131 131 ASN N N 131 114.200 114.200 117.781 -3.581 19872 461 1 . 1 1 131 131 ASN HA H 131 4.620 4.620 4.629 -0.009 19872 462 1 . 1 1 131 131 ASN C C 131 176.600 176.600 176.286 0.315 19872 463 1 . 1 1 131 131 ASN CA C 131 52.300 52.300 53.659 -1.359 19872 464 1 . 1 1 131 131 ASN CB C 131 38.000 38.000 39.608 -1.608 19872 465 1 . 1 1 132 132 GLY N N 132 106.600 106.600 107.284 -0.684 19872 466 1 . 1 1 132 132 GLY C C 132 175.300 175.300 174.950 0.350 19872 467 1 . 1 1 132 132 GLY CA C 132 45.200 45.200 45.091 0.109 19872 468 1 . 1 1 133 133 ASP N N 133 122.900 122.900 121.806 1.094 19872 469 1 . 1 1 133 133 ASP HA H 133 4.370 4.370 4.578 -0.208 19872 470 1 . 1 1 133 133 ASP C C 133 178.700 178.700 177.686 1.014 19872 471 1 . 1 1 133 133 ASP CA C 133 56.700 56.700 56.145 0.555 19872 472 1 . 1 1 133 133 ASP CB C 133 40.000 40.000 40.696 -0.696 19872 473 1 . 1 1 134 134 LEU N N 134 118.900 118.900 119.008 -0.108 19872 474 1 . 1 1 134 134 LEU HA H 134 3.780 3.780 4.074 -0.294 19872 475 1 . 1 1 134 134 LEU C C 134 177.300 177.300 177.935 -0.635 19872 476 1 . 1 1 134 134 LEU CA C 134 57.300 57.300 57.106 0.193 19872 477 1 . 1 1 134 134 LEU CB C 134 40.000 40.000 41.672 -1.672 19872 478 1 . 1 1 135 135 VAL N N 135 116.600 116.600 118.756 -2.156 19872 479 1 . 1 1 135 135 VAL HA H 135 3.400 3.400 3.669 -0.269 19872 480 1 . 1 1 135 135 VAL C C 135 178.300 178.300 178.025 0.275 19872 481 1 . 1 1 135 135 VAL CA C 135 66.800 66.800 66.014 0.786 19872 482 1 . 1 1 135 135 VAL CB C 135 31.200 31.200 30.999 0.201 19872 483 1 . 1 1 136 136 GLU N N 136 118.600 118.600 119.505 -0.905 19872 484 1 . 1 1 136 136 GLU HA H 136 4.020 4.020 4.026 -0.006 19872 485 1 . 1 1 136 136 GLU C C 136 178.800 178.800 179.043 -0.243 19872 486 1 . 1 1 136 136 GLU CA C 136 58.000 58.000 59.252 -1.252 19872 487 1 . 1 1 136 136 GLU CB C 136 28.500 28.500 28.841 -0.341 19872 488 1 . 1 1 137 137 GLU N N 137 119.500 119.500 120.209 -0.709 19872 489 1 . 1 1 137 137 GLU HA H 137 3.890 3.890 4.113 -0.223 19872 490 1 . 1 1 137 137 GLU C C 137 179.500 179.500 179.105 0.395 19872 491 1 . 1 1 137 137 GLU CA C 137 58.000 58.000 58.743 -0.743 19872 492 1 . 1 1 137 137 GLU CB C 137 28.600 28.600 29.336 -0.736 19872 493 1 . 1 1 138 138 LEU N N 138 117.400 117.400 119.709 -2.309 19872 494 1 . 1 1 138 138 LEU HA H 138 3.890 3.890 3.951 -0.061 19872 495 1 . 1 1 138 138 LEU C C 138 179.200 179.200 178.875 0.325 19872 496 1 . 1 1 138 138 LEU CA C 138 57.500 57.500 57.662 -0.162 19872 497 1 . 1 1 138 138 LEU CB C 138 39.300 39.300 41.829 -2.529 19872 498 1 . 1 1 139 139 LYS N N 139 121.100 121.100 119.079 2.021 19872 499 1 . 1 1 139 139 LYS HA H 139 3.850 3.850 4.075 -0.225 19872 500 1 . 1 1 139 139 LYS C C 139 180.900 180.900 179.560 1.340 19872 501 1 . 1 1 139 139 LYS CA C 139 59.600 59.600 59.317 0.283 19872 502 1 . 1 1 139 139 LYS CB C 139 31.800 31.800 32.117 -0.317 19872 503 1 . 1 1 140 140 LYS N N 140 119.800 119.800 119.757 0.043 19872 504 1 . 1 1 140 140 LYS HA H 140 3.940 3.940 4.095 -0.155 19872 505 1 . 1 1 140 140 LYS C C 140 177.600 177.600 177.830 -0.230 19872 506 1 . 1 1 140 140 LYS CA C 140 58.700 58.700 58.756 -0.057 19872 507 1 . 1 1 140 140 LYS CB C 140 31.900 31.900 32.267 -0.367 19872 508 1 . 1 1 141 141 LEU N N 141 116.600 116.600 117.574 -0.974 19872 509 1 . 1 1 141 141 LEU HA H 141 4.320 4.320 4.407 -0.086 19872 510 1 . 1 1 141 141 LEU C C 141 176.400 176.400 177.747 -1.347 19872 511 1 . 1 1 141 141 LEU CA C 141 53.600 53.600 54.814 -1.214 19872 512 1 . 1 1 141 141 LEU CB C 141 42.000 42.000 41.796 0.204 19872 513 1 . 1 1 142 142 GLY N N 142 107.200 107.200 107.723 -0.523 19872 514 1 . 1 1 142 142 GLY C C 142 173.900 173.900 174.775 -0.875 19872 515 1 . 1 1 142 142 GLY CA C 142 45.000 45.000 45.595 -0.595 19872 516 1 . 1 1 143 143 ILE N N 143 121.600 121.600 120.963 0.637 19872 517 1 . 1 1 143 143 ILE HA H 143 4.020 4.020 4.039 -0.019 19872 518 1 . 1 1 143 143 ILE C C 143 173.900 173.900 175.667 -1.767 19872 519 1 . 1 1 143 143 ILE CA C 143 60.000 60.000 61.417 -1.417 19872 520 1 . 1 1 143 143 ILE CB C 143 38.700 38.700 38.737 -0.037 19872 521 1 . 1 1 144 144 HIS N N 144 128.000 128.000 126.452 1.548 19872 522 1 . 1 1 144 144 HIS HA H 144 4.340 4.340 4.636 -0.296 19872 523 1 . 1 1 144 144 HIS C C 144 173.800 173.800 174.738 -0.938 19872 524 1 . 1 1 144 144 HIS CA C 144 54.300 54.300 55.588 -1.288 19872 525 1 . 1 1 144 144 HIS CB C 144 28.600 28.600 30.226 -1.626 19872 526 1 . 1 1 145 145 SER N N 145 121.400 121.400 123.307 -1.907 19872 527 1 . 1 1 145 145 SER HA H 145 4.470 4.470 4.568 -0.098 19872 528 1 . 1 1 145 145 SER CA C 145 57.800 57.800 58.323 -0.523 19872 529 1 . 1 1 145 145 SER CB C 145 62.200 62.200 64.016 -1.817 19872 530 1 . 1 1 146 146 ALA N N 146 130.100 130.100 130.804 -0.704 19872 531 1 . 1 1 146 146 ALA HA H 146 4.180 4.180 4.295 -0.115 19872 532 1 . 1 1 146 146 ALA C C 146 178.100 178.100 178.740 -0.640 19872 533 1 . 1 1 146 146 ALA CA C 146 52.900 52.900 54.144 -1.244 19872 534 1 . 1 1 146 146 ALA CB C 146 17.700 17.700 18.959 -1.259 19872 535 1 . 1 1 147 147 LEU N N 147 117.800 117.800 117.692 0.108 19872 536 1 . 1 1 147 147 LEU HA H 147 4.060 4.060 4.164 -0.104 19872 537 1 . 1 1 147 147 LEU C C 147 177.700 177.700 178.630 -0.930 19872 538 1 . 1 1 147 147 LEU CA C 147 55.100 55.100 55.607 -0.507 19872 539 1 . 1 1 147 147 LEU CB C 147 40.400 40.400 41.354 -0.954 19872 540 1 . 1 1 148 148 LEU N N 148 120.100 120.100 120.664 -0.564 19872 541 1 . 1 1 148 148 LEU HA H 148 4.180 4.180 3.985 0.195 19872 542 1 . 1 1 148 148 LEU C C 148 176.500 176.500 177.893 -1.393 19872 543 1 . 1 1 148 148 LEU CA C 148 54.700 54.700 57.671 -2.971 19872 544 1 . 1 1 148 148 LEU CB C 148 42.000 42.000 41.708 0.292 19872 545 1 . 1 1 149 149 ASP N N 149 121.900 121.900 117.198 4.702 19872 546 1 . 1 1 149 149 ASP HA H 149 4.600 4.600 4.755 -0.155 19872 547 1 . 1 1 149 149 ASP C C 149 174.800 174.800 175.708 -0.908 19872 548 1 . 1 1 149 149 ASP CA C 149 53.900 53.900 53.978 -0.078 19872 549 1 . 1 1 149 149 ASP CB C 149 40.600 40.600 41.318 -0.718 19872 stop_ save_