data_16154_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16154 _Entry.PDB_ID 2KEN _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_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.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 1 A 3 3 PRO HA H 3 4.430 4.552 -0.122 1 1 8 . 1 1 1 A 3 3 PRO C C 3 175.600 176.076 -0.476 1 1 9 . 1 1 1 A 3 3 PRO CA C 3 62.510 62.487 0.023 1 1 10 . 1 1 1 A 3 3 PRO CB C 3 32.000 32.181 -0.181 1 1 13 . 1 1 1 A 4 4 GLN H H 4 8.580 8.481 0.099 1 1 14 . 1 1 1 A 4 4 GLN HA H 4 4.260 4.569 -0.309 1 1 21 . 1 1 1 A 4 4 GLN C C 4 176.900 175.351 1.549 1 1 22 . 1 1 1 A 4 4 GLN CA C 4 55.700 55.413 0.287 1 1 23 . 1 1 1 A 4 4 GLN CB C 4 29.200 29.332 -0.132 1 1 25 . 1 1 1 A 4 4 GLN N N 4 120.000 121.134 -1.134 1 1 27 . 1 1 1 A 5 5 LEU H H 5 8.920 9.033 -0.113 1 1 28 . 1 1 1 A 5 5 LEU HA H 5 4.660 5.150 -0.490 1 1 38 . 1 1 1 A 5 5 LEU C C 5 176.900 176.301 0.599 1 1 39 . 1 1 1 A 5 5 LEU CA C 5 54.700 53.876 0.824 1 1 40 . 1 1 1 A 5 5 LEU CB C 5 43.000 43.730 -0.730 1 1 44 . 1 1 1 A 5 5 LEU N N 5 128.500 128.982 -0.482 1 1 45 . 1 1 1 A 6 6 THR H H 6 8.750 8.915 -0.165 1 1 46 . 1 1 1 A 6 6 THR HA H 6 4.530 5.032 -0.502 1 1 51 . 1 1 1 A 6 6 THR C C 6 173.700 173.833 -0.133 1 1 52 . 1 1 1 A 6 6 THR CA C 6 61.600 61.200 0.400 1 1 53 . 1 1 1 A 6 6 THR CB C 6 72.000 71.368 0.632 1 1 55 . 1 1 1 A 6 6 THR N N 6 121.000 121.307 -0.307 1 1 56 . 1 1 1 A 7 7 LYS H H 7 9.080 8.883 0.197 1 1 57 . 1 1 1 A 7 7 LYS HA H 7 4.430 4.523 -0.093 1 1 66 . 1 1 1 A 7 7 LYS C C 7 178.600 178.253 0.347 1 1 67 . 1 1 1 A 7 7 LYS CA C 7 54.300 54.600 -0.300 1 1 68 . 1 1 1 A 7 7 LYS CB C 7 32.300 33.892 -1.592 1 1 72 . 1 1 1 A 7 7 LYS N N 7 126.300 124.355 1.945 1 1 73 . 1 1 1 A 8 8 ILE H H 8 9.870 8.818 1.052 1 1 74 . 1 1 1 A 8 8 ILE HA H 8 3.240 3.768 -0.528 1 1 82 . 1 1 1 A 8 8 ILE C C 8 178.700 177.930 0.770 1 1 83 . 1 1 1 A 8 8 ILE CA C 8 66.800 65.344 1.456 1 1 84 . 1 1 1 A 8 8 ILE CB C 8 36.400 37.501 -1.101 1 1 87 . 1 1 1 A 8 8 ILE N N 8 124.700 122.619 2.081 1 1 88 . 1 1 1 A 9 9 VAL H H 9 8.340 7.992 0.348 1 1 89 . 1 1 1 A 9 9 VAL HA H 9 3.930 3.893 0.037 1 1 97 . 1 1 1 A 9 9 VAL C C 9 178.700 176.310 2.390 1 1 98 . 1 1 1 A 9 9 VAL CA C 9 63.300 64.284 -0.984 1 1 99 . 1 1 1 A 9 9 VAL CB C 9 31.700 31.598 0.102 1 1 102 . 1 1 1 A 9 9 VAL N N 9 119.500 120.525 -1.025 1 1 103 . 1 1 1 A 10 10 ASP H H 10 7.510 8.167 -0.657 1 1 104 . 1 1 1 A 10 10 ASP HA H 10 4.730 4.722 0.008 1 1 107 . 1 1 1 A 10 10 ASP C C 10 174.500 176.611 -2.111 1 1 108 . 1 1 1 A 10 10 ASP CA C 10 54.400 54.167 0.233 1 1 109 . 1 1 1 A 10 10 ASP CB C 10 41.100 41.515 -0.415 1 1 110 . 1 1 1 A 10 10 ASP N N 10 119.100 119.700 -0.600 1 1 111 . 1 1 1 A 11 11 ILE H H 11 7.460 7.447 0.013 1 1 112 . 1 1 1 A 11 11 ILE HA H 11 3.800 3.561 0.239 1 1 122 . 1 1 1 A 11 11 ILE C C 11 174.900 176.281 -1.381 1 1 123 . 1 1 1 A 11 11 ILE CA C 11 62.100 64.908 -2.808 1 1 124 . 1 1 1 A 11 11 ILE CB C 11 35.300 37.432 -2.132 1 1 128 . 1 1 1 A 11 11 ILE N N 11 124.200 120.749 3.451 1 1 129 . 1 1 1 A 12 12 VAL H H 12 8.530 7.797 0.733 1 1 130 . 1 1 1 A 12 12 VAL HA H 12 4.260 3.483 0.777 1 1 138 . 1 1 1 A 12 12 VAL C C 12 174.900 174.702 0.198 1 1 139 . 1 1 1 A 12 12 VAL CA C 12 60.600 62.975 -2.375 1 1 140 . 1 1 1 A 12 12 VAL CB C 12 35.400 29.566 5.834 1 1 143 . 1 1 1 A 12 12 VAL N N 12 118.400 118.775 -0.375 1 1 144 . 1 1 1 A 13 13 GLU H H 13 7.430 7.510 -0.080 1 1 145 . 1 1 1 A 13 13 GLU HA H 13 4.590 4.579 0.011 1 1 150 . 1 1 1 A 13 13 GLU C C 13 173.800 174.277 -0.477 1 1 151 . 1 1 1 A 13 13 GLU CA C 13 54.800 55.958 -1.158 1 1 152 . 1 1 1 A 13 13 GLU CB C 13 33.160 31.770 1.390 1 1 154 . 1 1 1 A 13 13 GLU N N 13 120.100 121.523 -1.423 1 1 155 . 1 1 1 A 14 14 ASN H H 14 8.800 8.684 0.116 1 1 156 . 1 1 1 A 14 14 ASN HA H 14 4.110 4.910 -0.800 1 1 161 . 1 1 1 A 14 14 ASN C C 14 176.600 175.852 0.748 1 1 162 . 1 1 1 A 14 14 ASN CA C 14 54.600 52.989 1.611 1 1 163 . 1 1 1 A 14 14 ASN CB C 14 38.900 39.453 -0.553 1 1 164 . 1 1 1 A 14 14 ASN N N 14 121.500 124.246 -2.746 1 1 166 . 1 1 1 A 15 15 GLY H H 15 8.620 9.262 -0.642 1 1 167 . 1 1 1 A 15 15 GLY HA2 H 15 3.460 3.723 -0.263 1 1 168 . 1 1 1 A 15 15 GLY HA3 H 15 4.110 3.819 0.291 1 1 169 . 1 1 1 A 15 15 GLY C C 15 173.100 173.480 -0.380 1 1 170 . 1 1 1 A 15 15 GLY CA C 15 45.300 45.858 -0.558 1 1 171 . 1 1 1 A 15 15 GLY N N 15 114.900 110.332 4.568 1 1 172 . 1 1 1 A 16 16 GLN H H 16 7.280 7.645 -0.365 1 1 173 . 1 1 1 A 16 16 GLN HA H 16 4.160 4.624 -0.464 1 1 180 . 1 1 1 A 16 16 GLN C C 16 174.400 174.799 -0.399 1 1 181 . 1 1 1 A 16 16 GLN CA C 16 56.300 54.506 1.794 1 1 182 . 1 1 1 A 16 16 GLN CB C 16 30.300 30.252 0.048 1 1 184 . 1 1 1 A 16 16 GLN N N 16 121.500 120.030 1.470 1 1 186 . 1 1 1 A 17 17 TRP H H 17 8.640 8.913 -0.273 1 1 187 . 1 1 1 A 17 17 TRP HA H 17 5.400 5.510 -0.110 1 1 196 . 1 1 1 A 17 17 TRP C C 17 176.900 176.074 0.826 1 1 197 . 1 1 1 A 17 17 TRP CA C 17 56.400 56.463 -0.063 1 1 198 . 1 1 1 A 17 17 TRP CB C 17 30.300 30.692 -0.392 1 1 204 . 1 1 1 A 17 17 TRP N N 17 125.500 126.784 -1.284 1 1 206 . 1 1 1 A 18 18 ALA H H 18 9.020 8.746 0.274 1 1 207 . 1 1 1 A 18 18 ALA HA H 18 4.650 4.842 -0.192 1 1 211 . 1 1 1 A 18 18 ALA C C 18 174.100 175.225 -1.125 1 1 212 . 1 1 1 A 18 18 ALA CA C 18 51.430 51.374 0.056 1 1 213 . 1 1 1 A 18 18 ALA CB C 18 22.600 22.832 -0.232 1 1 214 . 1 1 1 A 18 18 ALA N N 18 124.000 123.218 0.782 1 1 215 . 1 1 1 A 19 19 ASN H H 19 8.250 8.374 -0.124 1 1 216 . 1 1 1 A 19 19 ASN HA H 19 5.710 5.593 0.117 1 1 221 . 1 1 1 A 19 19 ASN C C 19 173.500 174.048 -0.548 1 1 222 . 1 1 1 A 19 19 ASN CA C 19 51.600 52.040 -0.440 1 1 223 . 1 1 1 A 19 19 ASN CB C 19 40.100 42.043 -1.943 1 1 224 . 1 1 1 A 19 19 ASN N N 19 116.500 115.828 0.672 1 1 226 . 1 1 1 A 20 20 LEU H H 20 9.280 8.790 0.490 1 1 227 . 1 1 1 A 20 20 LEU HA H 20 4.930 5.044 -0.114 1 1 236 . 1 1 1 A 20 20 LEU C C 20 174.800 174.737 0.063 1 1 237 . 1 1 1 A 20 20 LEU CA C 20 54.200 53.444 0.756 1 1 238 . 1 1 1 A 20 20 LEU CB C 20 46.300 46.290 0.010 1 1 241 . 1 1 1 A 20 20 LEU N N 20 121.800 122.413 -0.613 1 1 242 . 1 1 1 A 21 21 LYS H H 21 8.550 8.906 -0.356 1 1 243 . 1 1 1 A 21 21 LYS HA H 21 5.450 5.297 0.153 1 1 252 . 1 1 1 A 21 21 LYS C C 21 174.800 175.221 -0.421 1 1 253 . 1 1 1 A 21 21 LYS CA C 21 55.350 54.732 0.618 1 1 254 . 1 1 1 A 21 21 LYS CB C 21 34.300 35.235 -0.935 1 1 258 . 1 1 1 A 21 21 LYS N N 21 122.500 124.279 -1.779 1 1 259 . 1 1 1 A 22 22 ALA H H 22 9.090 8.677 0.413 1 1 260 . 1 1 1 A 22 22 ALA HA H 22 4.830 4.747 0.083 1 1 264 . 1 1 1 A 22 22 ALA C C 22 173.800 176.059 -2.259 1 1 265 . 1 1 1 A 22 22 ALA CA C 22 51.300 50.986 0.314 1 1 266 . 1 1 1 A 22 22 ALA CB C 22 24.700 23.461 1.239 1 1 267 . 1 1 1 A 22 22 ALA N N 22 123.200 127.118 -3.918 1 1 268 . 1 1 1 A 23 23 LYS H H 23 9.190 8.107 1.083 1 1 269 . 1 1 1 A 23 23 LYS HA H 23 5.080 5.078 0.002 1 1 276 . 1 1 1 A 23 23 LYS C C 23 176.900 175.555 1.345 1 1 277 . 1 1 1 A 23 23 LYS CA C 23 54.100 54.980 -0.880 1 1 278 . 1 1 1 A 23 23 LYS CB C 23 35.800 34.743 1.057 1 1 281 . 1 1 1 A 23 23 LYS N N 23 121.100 116.476 4.624 1 1 282 . 1 1 1 A 24 24 VAL H H 24 8.620 8.618 0.002 1 1 283 . 1 1 1 A 24 24 VAL HA H 24 4.110 4.311 -0.201 1 1 291 . 1 1 1 A 24 24 VAL C C 24 175.800 175.573 0.227 1 1 292 . 1 1 1 A 24 24 VAL CA C 24 62.750 63.001 -0.251 1 1 293 . 1 1 1 A 24 24 VAL CB C 24 30.500 31.067 -0.567 1 1 296 . 1 1 1 A 24 24 VAL N N 24 125.600 122.354 3.246 1 1 297 . 1 1 1 A 25 25 ILE H H 25 8.430 8.476 -0.046 1 1 298 . 1 1 1 A 25 25 ILE HA H 25 4.210 4.036 0.174 1 1 308 . 1 1 1 A 25 25 ILE C C 25 176.700 176.588 0.112 1 1 309 . 1 1 1 A 25 25 ILE CA C 25 62.100 63.306 -1.206 1 1 310 . 1 1 1 A 25 25 ILE CB C 25 38.300 38.536 -0.236 1 1 314 . 1 1 1 A 25 25 ILE N N 25 127.400 129.355 -1.955 1 1 315 . 1 1 1 A 26 26 GLN H H 26 7.590 7.719 -0.129 1 1 316 . 1 1 1 A 26 26 GLN HA H 26 4.560 4.834 -0.274 1 1 323 . 1 1 1 A 26 26 GLN C C 26 173.700 174.215 -0.515 1 1 324 . 1 1 1 A 26 26 GLN CA C 26 55.400 54.721 0.679 1 1 325 . 1 1 1 A 26 26 GLN CB C 26 34.100 32.728 1.372 1 1 327 . 1 1 1 A 26 26 GLN N N 26 117.100 119.361 -2.261 1 1 329 . 1 1 1 A 27 27 LEU H H 27 8.470 8.991 -0.521 1 1 330 . 1 1 1 A 27 27 LEU HA H 27 4.710 5.372 -0.662 1 1 340 . 1 1 1 A 27 27 LEU C C 27 176.200 175.618 0.582 1 1 341 . 1 1 1 A 27 27 LEU CA C 27 54.100 53.031 1.069 1 1 342 . 1 1 1 A 27 27 LEU CB C 27 44.000 45.775 -1.775 1 1 346 . 1 1 1 A 27 27 LEU N N 27 123.600 119.843 3.757 1 1 347 . 1 1 1 A 28 28 TRP H H 28 8.850 8.448 0.402 1 1 348 . 1 1 1 A 28 28 TRP HA H 28 5.180 5.131 0.049 1 1 357 . 1 1 1 A 28 28 TRP C C 28 175.900 174.371 1.529 1 1 358 . 1 1 1 A 28 28 TRP CA C 28 53.300 56.213 -2.913 1 1 359 . 1 1 1 A 28 28 TRP CB C 28 31.400 32.481 -1.081 1 1 365 . 1 1 1 A 28 28 TRP N N 28 123.900 122.986 0.914 1 1 367 . 1 1 1 A 29 29 GLU H H 29 8.620 8.350 0.270 1 1 368 . 1 1 1 A 29 29 GLU HA H 29 4.250 4.363 -0.113 1 1 373 . 1 1 1 A 29 29 GLU C C 29 175.700 175.951 -0.251 1 1 374 . 1 1 1 A 29 29 GLU CA C 29 56.800 56.466 0.334 1 1 375 . 1 1 1 A 29 29 GLU CB C 29 30.000 30.085 -0.085 1 1 377 . 1 1 1 A 29 29 GLU N N 29 120.700 129.175 -8.475 1 1 378 . 1 1 1 A 30 30 ASN H H 30 8.720 8.167 0.553 1 1 379 . 1 1 1 A 30 30 ASN HA H 30 4.870 4.925 -0.055 1 1 384 . 1 1 1 A 30 30 ASN C C 30 174.800 175.745 -0.945 1 1 385 . 1 1 1 A 30 30 ASN CA C 30 53.800 53.321 0.479 1 1 386 . 1 1 1 A 30 30 ASN CB C 30 41.200 40.551 0.649 1 1 387 . 1 1 1 A 30 30 ASN N N 30 121.400 124.795 -3.395 1 1 389 . 1 1 1 A 31 31 THR H H 31 8.300 8.888 -0.588 1 1 390 . 1 1 1 A 31 31 THR HA H 31 4.430 4.533 -0.103 1 1 395 . 1 1 1 A 31 31 THR C C 31 174.200 174.693 -0.493 1 1 396 . 1 1 1 A 31 31 THR CA C 31 61.000 62.532 -1.532 1 1 397 . 1 1 1 A 31 31 THR CB C 31 69.600 69.480 0.120 1 1 399 . 1 1 1 A 31 31 THR N N 31 114.200 120.458 -6.258 1 1 400 . 1 1 1 A 32 32 HIS H H 32 7.840 8.206 -0.366 1 1 401 . 1 1 1 A 32 32 HIS HA H 32 4.560 4.569 -0.009 1 1 405 . 1 1 1 A 32 32 HIS C C 32 177.300 176.604 0.696 1 1 406 . 1 1 1 A 32 32 HIS CA C 32 57.600 56.681 0.919 1 1 407 . 1 1 1 A 32 32 HIS CB C 32 32.000 30.307 1.693 1 1 409 . 1 1 1 A 32 32 HIS N N 32 122.500 119.228 3.272 1 1 410 . 1 1 1 A 33 33 GLU H H 33 9.020 8.971 0.049 1 1 411 . 1 1 1 A 33 33 GLU HA H 33 4.120 4.009 0.111 1 1 416 . 1 1 1 A 33 33 GLU C C 33 177.100 178.823 -1.723 1 1 417 . 1 1 1 A 33 33 GLU CA C 33 59.000 59.460 -0.460 1 1 418 . 1 1 1 A 33 33 GLU CB C 33 29.400 29.155 0.245 1 1 420 . 1 1 1 A 33 33 GLU N N 33 127.300 122.875 4.425 1 1 421 . 1 1 1 A 34 34 SER H H 34 9.430 8.058 1.372 1 1 422 . 1 1 1 A 34 34 SER HA H 34 4.580 4.427 0.153 1 1 425 . 1 1 1 A 34 34 SER C C 34 174.800 174.594 0.206 1 1 426 . 1 1 1 A 34 34 SER CA C 34 59.500 62.359 -2.859 1 1 427 . 1 1 1 A 34 34 SER CB C 34 63.600 63.346 0.254 1 1 428 . 1 1 1 A 34 34 SER N N 34 113.400 115.363 -1.963 1 1 429 . 1 1 1 A 35 35 ILE H H 35 7.920 8.224 -0.304 1 1 430 . 1 1 1 A 35 35 ILE HA H 35 4.080 4.362 -0.282 1 1 440 . 1 1 1 A 35 35 ILE C C 35 174.300 175.527 -1.227 1 1 441 . 1 1 1 A 35 35 ILE CA C 35 61.600 60.124 1.476 1 1 442 . 1 1 1 A 35 35 ILE CB C 35 40.700 39.346 1.354 1 1 446 . 1 1 1 A 35 35 ILE N N 35 125.800 120.437 5.363 1 1 447 . 1 1 1 A 36 36 SER H H 36 9.010 8.502 0.508 1 1 448 . 1 1 1 A 36 36 SER HA H 36 4.480 4.490 -0.010 1 1 451 . 1 1 1 A 36 36 SER C C 36 174.900 173.553 1.347 1 1 452 . 1 1 1 A 36 36 SER CA C 36 58.800 59.858 -1.058 1 1 453 . 1 1 1 A 36 36 SER CB C 36 64.300 64.337 -0.037 1 1 454 . 1 1 1 A 36 36 SER N N 36 119.100 122.194 -3.094 1 1 455 . 1 1 1 A 37 37 GLN H H 37 7.390 7.173 0.217 1 1 456 . 1 1 1 A 37 37 GLN HA H 37 4.690 4.642 0.048 1 1 463 . 1 1 1 A 37 37 GLN C C 37 171.800 173.191 -1.391 1 1 464 . 1 1 1 A 37 37 GLN CA C 37 54.900 55.140 -0.240 1 1 465 . 1 1 1 A 37 37 GLN CB C 37 36.200 32.233 3.967 1 1 466 . 1 1 1 A 37 37 GLN N N 37 116.500 118.351 -1.851 1 1 468 . 1 1 1 A 38 38 VAL H H 38 8.640 8.253 0.387 1 1 469 . 1 1 1 A 38 38 VAL HA H 38 4.160 4.392 -0.232 1 1 477 . 1 1 1 A 38 38 VAL C C 38 172.400 174.400 -2.000 1 1 478 . 1 1 1 A 38 38 VAL CA C 38 58.500 59.366 -0.866 1 1 479 . 1 1 1 A 38 38 VAL CB C 38 35.300 35.457 -0.157 1 1 482 . 1 1 1 A 38 38 VAL N N 38 120.400 122.079 -1.679 1 1 483 . 1 1 1 A 39 39 GLY H H 39 6.440 7.424 -0.984 1 1 484 . 1 1 1 A 39 39 GLY HA2 H 39 3.690 4.350 -0.660 1 1 485 . 1 1 1 A 39 39 GLY HA3 H 39 1.940 4.439 -2.499 1 1 486 . 1 1 1 A 39 39 GLY C C 39 170.600 171.806 -1.206 1 1 487 . 1 1 1 A 39 39 GLY CA C 39 45.300 45.864 -0.564 1 1 488 . 1 1 1 A 39 39 GLY N N 39 109.600 112.937 -3.337 1 1 489 . 1 1 1 A 40 40 LEU H H 40 8.380 8.590 -0.210 1 1 490 . 1 1 1 A 40 40 LEU HA H 40 4.980 5.238 -0.258 1 1 499 . 1 1 1 A 40 40 LEU C C 40 176.000 175.811 0.189 1 1 500 . 1 1 1 A 40 40 LEU CA C 40 53.200 53.419 -0.219 1 1 501 . 1 1 1 A 40 40 LEU CB C 40 47.400 45.205 2.195 1 1 504 . 1 1 1 A 40 40 LEU N N 40 119.500 122.033 -2.533 1 1 505 . 1 1 1 A 41 41 LEU H H 41 9.410 9.197 0.213 1 1 506 . 1 1 1 A 41 41 LEU HA H 41 5.320 5.120 0.200 1 1 516 . 1 1 1 A 41 41 LEU C C 41 176.700 175.585 1.115 1 1 517 . 1 1 1 A 41 41 LEU CA C 41 52.400 52.975 -0.575 1 1 518 . 1 1 1 A 41 41 LEU CB C 41 44.900 43.338 1.562 1 1 522 . 1 1 1 A 41 41 LEU N N 41 122.700 122.528 0.172 1 1 523 . 1 1 1 A 42 42 GLY H H 42 9.210 9.865 -0.655 1 1 524 . 1 1 1 A 42 42 GLY HA2 H 42 3.550 4.067 -0.517 1 1 525 . 1 1 1 A 42 42 GLY HA3 H 42 5.350 4.070 1.280 1 1 526 . 1 1 1 A 42 42 GLY C C 42 171.200 171.991 -0.791 1 1 527 . 1 1 1 A 42 42 GLY CA C 42 45.700 45.597 0.103 1 1 528 . 1 1 1 A 42 42 GLY N N 42 104.600 112.444 -7.844 1 1 529 . 1 1 1 A 43 43 ASP H H 43 8.960 8.766 0.194 1 1 530 . 1 1 1 A 43 43 ASP HA H 43 4.640 5.053 -0.413 1 1 533 . 1 1 1 A 43 43 ASP C C 43 175.600 176.537 -0.937 1 1 534 . 1 1 1 A 43 43 ASP CA C 43 52.700 53.200 -0.500 1 1 535 . 1 1 1 A 43 43 ASP CB C 43 41.600 43.078 -1.478 1 1 536 . 1 1 1 A 43 43 ASP N N 43 121.900 125.744 -3.844 1 1 537 . 1 1 1 A 44 44 GLU H H 44 10.150 9.048 1.102 1 1 538 . 1 1 1 A 44 44 GLU HA H 44 4.380 4.033 0.347 1 1 543 . 1 1 1 A 44 44 GLU C C 44 176.900 177.718 -0.818 1 1 544 . 1 1 1 A 44 44 GLU CA C 44 59.300 58.940 0.360 1 1 545 . 1 1 1 A 44 44 GLU CB C 44 28.100 29.622 -1.522 1 1 547 . 1 1 1 A 44 44 GLU N N 44 118.000 125.970 -7.970 1 1 548 . 1 1 1 A 45 45 THR H H 45 9.600 7.700 1.900 1 1 549 . 1 1 1 A 45 45 THR HA H 45 4.580 4.467 0.113 1 1 554 . 1 1 1 A 45 45 THR C C 45 174.800 173.979 0.821 1 1 555 . 1 1 1 A 45 45 THR CA C 45 61.700 62.403 -0.703 1 1 556 . 1 1 1 A 45 45 THR CB C 45 70.000 69.468 0.532 1 1 558 . 1 1 1 A 45 45 THR N N 45 112.000 108.982 3.018 1 1 559 . 1 1 1 A 46 46 GLY H H 46 7.640 7.225 0.415 1 1 560 . 1 1 1 A 46 46 GLY HA2 H 46 3.830 4.110 -0.280 1 1 561 . 1 1 1 A 46 46 GLY HA3 H 46 4.000 4.111 -0.111 1 1 562 . 1 1 1 A 46 46 GLY C C 46 169.400 171.366 -1.966 1 1 563 . 1 1 1 A 46 46 GLY CA C 46 46.000 45.472 0.528 1 1 564 . 1 1 1 A 46 46 GLY N N 46 110.600 107.674 2.926 1 1 565 . 1 1 1 A 47 47 ILE H H 47 8.000 8.496 -0.496 1 1 566 . 1 1 1 A 47 47 ILE HA H 47 5.450 5.367 0.083 1 1 576 . 1 1 1 A 47 47 ILE C C 47 175.200 174.169 1.031 1 1 577 . 1 1 1 A 47 47 ILE CA C 47 59.100 58.590 0.510 1 1 578 . 1 1 1 A 47 47 ILE CB C 47 42.400 42.502 -0.102 1 1 582 . 1 1 1 A 47 47 ILE N N 47 113.900 118.514 -4.614 1 1 583 . 1 1 1 A 48 48 ILE H H 48 9.340 8.412 0.928 1 1 584 . 1 1 1 A 48 48 ILE HA H 48 4.640 4.745 -0.105 1 1 594 . 1 1 1 A 48 48 ILE C C 48 171.500 173.303 -1.803 1 1 595 . 1 1 1 A 48 48 ILE CA C 48 60.600 59.278 1.322 1 1 596 . 1 1 1 A 48 48 ILE CB C 48 42.000 41.629 0.371 1 1 600 . 1 1 1 A 48 48 ILE N N 48 123.600 121.933 1.667 1 1 601 . 1 1 1 A 49 49 LYS H H 49 8.350 8.790 -0.440 1 1 602 . 1 1 1 A 49 49 LYS HA H 49 4.820 4.910 -0.090 1 1 611 . 1 1 1 A 49 49 LYS C C 49 174.700 176.305 -1.605 1 1 612 . 1 1 1 A 49 49 LYS CA C 49 56.400 55.181 1.219 1 1 613 . 1 1 1 A 49 49 LYS CB C 49 33.800 33.790 0.010 1 1 617 . 1 1 1 A 49 49 LYS N N 49 129.100 129.106 -0.006 1 1 618 . 1 1 1 A 50 50 PHE H H 50 8.570 8.949 -0.379 1 1 619 . 1 1 1 A 50 50 PHE HA H 50 5.820 5.853 -0.033 1 1 627 . 1 1 1 A 50 50 PHE C C 50 172.100 173.326 -1.226 1 1 628 . 1 1 1 A 50 50 PHE CA C 50 54.800 55.124 -0.324 1 1 629 . 1 1 1 A 50 50 PHE CB C 50 43.900 41.837 2.063 1 1 635 . 1 1 1 A 50 50 PHE N N 50 122.700 121.868 0.832 1 1 636 . 1 1 1 A 51 51 THR H H 51 8.190 8.387 -0.197 1 1 637 . 1 1 1 A 51 51 THR HA H 51 4.320 4.495 -0.175 1 1 642 . 1 1 1 A 51 51 THR C C 51 172.900 172.674 0.226 1 1 643 . 1 1 1 A 51 51 THR CA C 51 61.700 61.004 0.696 1 1 644 . 1 1 1 A 51 51 THR CB C 51 72.500 71.491 1.009 1 1 646 . 1 1 1 A 51 51 THR N N 51 114.400 113.771 0.629 1 1 647 . 1 1 1 A 52 52 ILE H H 52 8.880 8.850 0.030 1 1 648 . 1 1 1 A 52 52 ILE HA H 52 4.650 4.601 0.049 1 1 658 . 1 1 1 A 52 52 ILE C C 52 176.000 175.166 0.834 1 1 659 . 1 1 1 A 52 52 ILE CA C 52 60.500 60.108 0.392 1 1 660 . 1 1 1 A 52 52 ILE CB C 52 38.900 39.305 -0.405 1 1 664 . 1 1 1 A 52 52 ILE N N 52 123.400 127.002 -3.602 1 1 665 . 1 1 1 A 53 53 TRP H H 53 8.020 8.539 -0.519 1 1 666 . 1 1 1 A 53 53 TRP HA H 53 4.740 4.817 -0.077 1 1 675 . 1 1 1 A 53 53 TRP C C 53 177.500 177.579 -0.079 1 1 676 . 1 1 1 A 53 53 TRP CA C 53 57.700 57.523 0.177 1 1 677 . 1 1 1 A 53 53 TRP CB C 53 30.400 30.481 -0.081 1 1 683 . 1 1 1 A 53 53 TRP N N 53 129.500 128.382 1.118 1 1 685 . 1 1 1 A 54 54 LYS H H 54 8.980 9.070 -0.090 1 1 686 . 1 1 1 A 54 54 LYS HA H 54 4.100 3.984 0.116 1 1 695 . 1 1 1 A 54 54 LYS C C 54 177.700 178.518 -0.818 1 1 696 . 1 1 1 A 54 54 LYS CA C 54 59.400 60.218 -0.818 1 1 697 . 1 1 1 A 54 54 LYS CB C 54 32.400 32.255 0.145 1 1 701 . 1 1 1 A 54 54 LYS N N 54 125.500 124.559 0.941 1 1 702 . 1 1 1 A 55 55 ASN H H 55 8.600 8.344 0.256 1 1 703 . 1 1 1 A 55 55 ASN HA H 55 4.510 4.609 -0.099 1 1 708 . 1 1 1 A 55 55 ASN C C 55 175.300 176.917 -1.617 1 1 709 . 1 1 1 A 55 55 ASN CA C 55 53.700 55.228 -1.528 1 1 710 . 1 1 1 A 55 55 ASN CB C 55 37.100 38.256 -1.156 1 1 711 . 1 1 1 A 55 55 ASN N N 55 115.400 117.709 -2.309 1 1 713 . 1 1 1 A 56 56 ALA H H 56 7.630 7.811 -0.181 1 1 714 . 1 1 1 A 56 56 ALA HA H 56 3.970 4.372 -0.402 1 1 718 . 1 1 1 A 56 56 ALA C C 56 176.100 176.995 -0.895 1 1 719 . 1 1 1 A 56 56 ALA CA C 56 53.500 52.831 0.669 1 1 720 . 1 1 1 A 56 56 ALA CB C 56 18.400 19.694 -1.294 1 1 721 . 1 1 1 A 56 56 ALA N N 56 121.200 120.803 0.397 1 1 722 . 1 1 1 A 57 57 GLU H H 57 7.880 8.160 -0.280 1 1 723 . 1 1 1 A 57 57 GLU HA H 57 3.940 3.855 0.085 1 1 728 . 1 1 1 A 57 57 GLU C C 57 175.400 174.980 0.420 1 1 729 . 1 1 1 A 57 57 GLU CA C 57 56.700 57.300 -0.600 1 1 730 . 1 1 1 A 57 57 GLU CB C 57 27.300 27.203 0.097 1 1 732 . 1 1 1 A 57 57 GLU N N 57 112.500 114.836 -2.336 1 1 733 . 1 1 1 A 58 58 LEU H H 58 7.910 7.793 0.117 1 1 734 . 1 1 1 A 58 58 LEU HA H 58 4.740 4.807 -0.067 1 1 744 . 1 1 1 A 58 58 LEU C C 58 175.400 174.592 0.808 1 1 745 . 1 1 1 A 58 58 LEU CA C 58 52.300 51.840 0.460 1 1 746 . 1 1 1 A 58 58 LEU CB C 58 42.900 42.950 -0.050 1 1 750 . 1 1 1 A 58 58 LEU N N 58 120.000 120.372 -0.372 1 1 751 . 1 1 1 A 59 59 PRO HA H 59 4.380 4.565 -0.185 1 1 758 . 1 1 1 A 59 59 PRO CA C 59 62.200 62.418 -0.218 1 1 759 . 1 1 1 A 59 59 PRO CB C 59 32.000 32.305 -0.305 1 1 762 . 1 1 1 A 60 60 LEU H H 60 7.860 8.328 -0.468 1 1 763 . 1 1 1 A 60 60 LEU HA H 60 3.920 4.452 -0.532 1 1 773 . 1 1 1 A 60 60 LEU C C 60 178.300 177.329 0.971 1 1 774 . 1 1 1 A 60 60 LEU CA C 60 55.000 54.788 0.212 1 1 775 . 1 1 1 A 60 60 LEU CB C 60 41.800 42.554 -0.754 1 1 779 . 1 1 1 A 60 60 LEU N N 60 117.500 123.080 -5.580 1 1 780 . 1 1 1 A 61 61 LEU H H 61 9.680 8.380 1.300 1 1 781 . 1 1 1 A 61 61 LEU HA H 61 4.040 4.264 -0.224 1 1 791 . 1 1 1 A 61 61 LEU C C 61 177.300 176.455 0.845 1 1 792 . 1 1 1 A 61 61 LEU CA C 61 54.100 54.138 -0.038 1 1 793 . 1 1 1 A 61 61 LEU CB C 61 41.300 42.164 -0.864 1 1 797 . 1 1 1 A 61 61 LEU N N 61 122.300 124.588 -2.288 1 1 798 . 1 1 1 A 62 62 GLU H H 62 8.390 9.758 -1.368 1 1 799 . 1 1 1 A 62 62 GLU HA H 62 4.430 4.948 -0.518 1 1 804 . 1 1 1 A 62 62 GLU C C 62 175.600 176.710 -1.110 1 1 805 . 1 1 1 A 62 62 GLU CA C 62 54.800 54.852 -0.052 1 1 806 . 1 1 1 A 62 62 GLU CB C 62 32.200 31.931 0.269 1 1 808 . 1 1 1 A 62 62 GLU N N 62 120.500 122.233 -1.733 1 1 809 . 1 1 1 A 63 63 GLN H H 63 8.780 8.778 0.002 1 1 810 . 1 1 1 A 63 63 GLN HA H 63 3.700 4.009 -0.309 1 1 817 . 1 1 1 A 63 63 GLN C C 63 176.600 176.875 -0.275 1 1 818 . 1 1 1 A 63 63 GLN CA C 63 58.100 57.769 0.331 1 1 819 . 1 1 1 A 63 63 GLN CB C 63 28.300 28.375 -0.075 1 1 821 . 1 1 1 A 63 63 GLN N N 63 123.300 125.369 -2.069 1 1 823 . 1 1 1 A 64 64 GLY H H 64 9.140 8.817 0.323 1 1 824 . 1 1 1 A 64 64 GLY HA2 H 64 3.580 3.997 -0.417 1 1 825 . 1 1 1 A 64 64 GLY HA3 H 64 4.390 4.000 0.390 1 1 826 . 1 1 1 A 64 64 GLY C C 64 173.900 173.588 0.312 1 1 827 . 1 1 1 A 64 64 GLY CA C 64 45.300 45.170 0.130 1 1 828 . 1 1 1 A 64 64 GLY N N 64 115.100 114.937 0.163 1 1 829 . 1 1 1 A 65 65 GLU H H 65 7.590 7.848 -0.258 1 1 830 . 1 1 1 A 65 65 GLU HA H 65 4.490 4.543 -0.053 1 1 835 . 1 1 1 A 65 65 GLU C C 65 174.200 175.753 -1.553 1 1 836 . 1 1 1 A 65 65 GLU CA C 65 54.900 55.339 -0.439 1 1 837 . 1 1 1 A 65 65 GLU CB C 65 30.500 31.335 -0.835 1 1 839 . 1 1 1 A 65 65 GLU N N 65 120.300 122.254 -1.954 1 1 840 . 1 1 1 A 66 66 SER H H 66 8.700 8.471 0.229 1 1 841 . 1 1 1 A 66 66 SER HA H 66 5.330 4.756 0.574 1 1 844 . 1 1 1 A 66 66 SER C C 66 174.100 173.206 0.894 1 1 845 . 1 1 1 A 66 66 SER CA C 66 58.300 58.663 -0.363 1 1 846 . 1 1 1 A 66 66 SER CB C 66 65.500 63.894 1.606 1 1 847 . 1 1 1 A 66 66 SER N N 66 116.500 122.039 -5.539 1 1 848 . 1 1 1 A 67 67 TYR H H 67 9.090 9.141 -0.051 1 1 849 . 1 1 1 A 67 67 TYR HA H 67 5.110 5.095 0.015 1 1 856 . 1 1 1 A 67 67 TYR C C 67 173.900 174.219 -0.319 1 1 857 . 1 1 1 A 67 67 TYR CA C 67 57.500 56.098 1.402 1 1 858 . 1 1 1 A 67 67 TYR CB C 67 43.900 42.704 1.196 1 1 863 . 1 1 1 A 67 67 TYR N N 67 119.000 122.815 -3.815 1 1 864 . 1 1 1 A 68 68 LEU H H 68 9.230 8.940 0.290 1 1 865 . 1 1 1 A 68 68 LEU HA H 68 5.000 5.121 -0.121 1 1 875 . 1 1 1 A 68 68 LEU C C 68 175.300 174.541 0.759 1 1 876 . 1 1 1 A 68 68 LEU CA C 68 54.300 53.821 0.479 1 1 877 . 1 1 1 A 68 68 LEU CB C 68 43.800 44.791 -0.991 1 1 881 . 1 1 1 A 68 68 LEU N N 68 121.800 124.961 -3.161 1 1 882 . 1 1 1 A 69 69 LEU H H 69 9.460 9.164 0.296 1 1 883 . 1 1 1 A 69 69 LEU HA H 69 5.010 5.032 -0.022 1 1 893 . 1 1 1 A 69 69 LEU C C 69 175.000 175.655 -0.655 1 1 894 . 1 1 1 A 69 69 LEU CA C 69 54.100 53.464 0.636 1 1 895 . 1 1 1 A 69 69 LEU CB C 69 42.300 43.031 -0.731 1 1 899 . 1 1 1 A 69 69 LEU N N 69 128.500 128.470 0.030 1 1 900 . 1 1 1 A 70 70 ARG H H 70 8.910 8.527 0.383 1 1 901 . 1 1 1 A 70 70 ARG HA H 70 4.850 4.836 0.014 1 1 909 . 1 1 1 A 70 70 ARG C C 70 176.400 176.532 -0.132 1 1 910 . 1 1 1 A 70 70 ARG CA C 70 54.900 54.657 0.243 1 1 911 . 1 1 1 A 70 70 ARG CB C 70 32.300 33.051 -0.751 1 1 914 . 1 1 1 A 70 70 ARG N N 70 121.500 124.009 -2.509 1 1 916 . 1 1 1 A 71 71 SER H H 71 8.800 9.059 -0.259 1 1 917 . 1 1 1 A 71 71 SER HA H 71 3.870 4.218 -0.348 1 1 920 . 1 1 1 A 71 71 SER C C 71 175.800 173.425 2.375 1 1 921 . 1 1 1 A 71 71 SER CA C 71 58.600 59.194 -0.594 1 1 922 . 1 1 1 A 71 71 SER CB C 71 62.000 61.766 0.234 1 1 923 . 1 1 1 A 71 71 SER N N 71 114.400 117.707 -3.307 1 1 924 . 1 1 1 A 72 72 VAL H H 72 8.750 7.528 1.222 1 1 925 . 1 1 1 A 72 72 VAL HA H 72 4.610 4.999 -0.389 1 1 933 . 1 1 1 A 72 72 VAL C C 72 173.300 173.949 -0.649 1 1 934 . 1 1 1 A 72 72 VAL CA C 72 59.300 59.583 -0.283 1 1 935 . 1 1 1 A 72 72 VAL CB C 72 31.900 34.796 -2.896 1 1 938 . 1 1 1 A 72 72 VAL N N 72 115.500 115.381 0.119 1 1 939 . 1 1 1 A 73 73 VAL H H 73 7.940 8.296 -0.356 1 1 940 . 1 1 1 A 73 73 VAL HA H 73 4.760 4.651 0.109 1 1 948 . 1 1 1 A 73 73 VAL C C 73 174.300 173.632 0.668 1 1 949 . 1 1 1 A 73 73 VAL CA C 73 58.800 59.245 -0.445 1 1 950 . 1 1 1 A 73 73 VAL CB C 73 34.500 34.782 -0.282 1 1 953 . 1 1 1 A 73 73 VAL N N 73 118.200 120.919 -2.719 1 1 954 . 1 1 1 A 74 74 VAL H H 74 8.430 8.098 0.332 1 1 955 . 1 1 1 A 74 74 VAL HA H 74 4.560 4.588 -0.028 1 1 963 . 1 1 1 A 74 74 VAL C C 74 177.300 175.729 1.571 1 1 964 . 1 1 1 A 74 74 VAL CA C 74 62.100 60.948 1.152 1 1 965 . 1 1 1 A 74 74 VAL CB C 74 32.700 32.580 0.120 1 1 968 . 1 1 1 A 74 74 VAL N N 74 127.800 126.678 1.122 1 1 969 . 1 1 1 A 75 75 GLY H H 75 9.040 9.438 -0.398 1 1 970 . 1 1 1 A 75 75 GLY HA2 H 75 3.750 4.261 -0.511 1 1 971 . 1 1 1 A 75 75 GLY HA3 H 75 5.120 4.299 0.821 1 1 972 . 1 1 1 A 75 75 GLY C C 75 172.500 171.849 0.651 1 1 973 . 1 1 1 A 75 75 GLY CA C 75 43.700 44.086 -0.386 1 1 974 . 1 1 1 A 75 75 GLY N N 75 116.000 115.402 0.598 1 1 975 . 1 1 1 A 76 76 GLU H H 76 8.380 8.635 -0.255 1 1 976 . 1 1 1 A 76 76 GLU HA H 76 4.690 4.623 0.067 1 1 981 . 1 1 1 A 76 76 GLU C C 76 176.000 174.821 1.179 1 1 982 . 1 1 1 A 76 76 GLU CA C 76 56.100 55.353 0.747 1 1 983 . 1 1 1 A 76 76 GLU CB C 76 32.000 30.439 1.561 1 1 985 . 1 1 1 A 76 76 GLU N N 76 120.200 122.607 -2.407 1 1 986 . 1 1 1 A 77 77 TYR H H 77 8.430 8.629 -0.199 1 1 987 . 1 1 1 A 77 77 TYR HA H 77 4.570 4.942 -0.372 1 1 994 . 1 1 1 A 77 77 TYR C C 77 174.200 175.460 -1.260 1 1 995 . 1 1 1 A 77 77 TYR CA C 77 56.500 57.002 -0.502 1 1 996 . 1 1 1 A 77 77 TYR CB C 77 39.800 39.763 0.037 1 1 1001 . 1 1 1 A 77 77 TYR N N 77 124.400 129.645 -5.245 1 1 1002 . 1 1 1 A 78 78 ASN H H 78 9.100 8.738 0.362 1 1 1003 . 1 1 1 A 78 78 ASN HA H 78 4.000 4.398 -0.398 1 1 1008 . 1 1 1 A 78 78 ASN C C 78 177.300 175.283 2.017 1 1 1009 . 1 1 1 A 78 78 ASN CA C 78 54.700 54.863 -0.163 1 1 1010 . 1 1 1 A 78 78 ASN CB C 78 36.600 37.452 -0.852 1 1 1011 . 1 1 1 A 78 78 ASN N N 78 125.800 126.663 -0.863 1 1 1013 . 1 1 1 A 79 79 ASP H H 79 8.640 8.780 -0.140 1 1 1014 . 1 1 1 A 79 79 ASP HA H 79 4.240 4.482 -0.242 1 1 1017 . 1 1 1 A 79 79 ASP C C 79 174.600 175.805 -1.205 1 1 1018 . 1 1 1 A 79 79 ASP CA C 79 54.900 55.076 -0.176 1 1 1019 . 1 1 1 A 79 79 ASP CB C 79 39.700 41.981 -2.281 1 1 1020 . 1 1 1 A 79 79 ASP N N 79 115.700 125.436 -9.736 1 1 1021 . 1 1 1 A 80 80 ARG H H 80 7.880 7.687 0.193 1 1 1022 . 1 1 1 A 80 80 ARG HA H 80 4.370 4.646 -0.276 1 1 1030 . 1 1 1 A 80 80 ARG C C 80 175.000 175.316 -0.316 1 1 1031 . 1 1 1 A 80 80 ARG CA C 80 54.200 54.554 -0.354 1 1 1032 . 1 1 1 A 80 80 ARG CB C 80 31.800 32.069 -0.269 1 1 1035 . 1 1 1 A 80 80 ARG N N 80 119.700 118.541 1.159 1 1 1037 . 1 1 1 A 81 81 PHE H H 81 8.410 8.987 -0.577 1 1 1038 . 1 1 1 A 81 81 PHE HA H 81 5.420 5.187 0.233 1 1 1046 . 1 1 1 A 81 81 PHE C C 81 174.400 175.251 -0.851 1 1 1047 . 1 1 1 A 81 81 PHE CA C 81 57.200 57.100 0.100 1 1 1048 . 1 1 1 A 81 81 PHE CB C 81 42.000 41.639 0.361 1 1 1054 . 1 1 1 A 81 81 PHE N N 81 120.700 120.078 0.622 1 1 1055 . 1 1 1 A 82 82 GLN H H 82 8.950 8.815 0.135 1 1 1056 . 1 1 1 A 82 82 GLN HA H 82 5.110 4.960 0.150 1 1 1063 . 1 1 1 A 82 82 GLN C C 82 172.400 174.283 -1.883 1 1 1064 . 1 1 1 A 82 82 GLN CA C 82 53.500 54.469 -0.969 1 1 1065 . 1 1 1 A 82 82 GLN CB C 82 31.900 33.297 -1.397 1 1 1067 . 1 1 1 A 82 82 GLN N N 82 115.000 119.732 -4.732 1 1 1069 . 1 1 1 A 83 83 VAL H H 83 9.090 8.431 0.659 1 1 1070 . 1 1 1 A 83 83 VAL HA H 83 4.380 4.713 -0.333 1 1 1078 . 1 1 1 A 83 83 VAL C C 83 174.600 175.009 -0.409 1 1 1079 . 1 1 1 A 83 83 VAL CA C 83 61.600 61.753 -0.153 1 1 1080 . 1 1 1 A 83 83 VAL CB C 83 33.500 32.747 0.753 1 1 1083 . 1 1 1 A 83 83 VAL N N 83 118.900 121.533 -2.633 1 1 1084 . 1 1 1 A 84 84 GLN H H 84 9.280 8.705 0.575 1 1 1085 . 1 1 1 A 84 84 GLN HA H 84 5.020 4.936 0.084 1 1 1092 . 1 1 1 A 84 84 GLN C C 84 174.500 174.620 -0.120 1 1 1093 . 1 1 1 A 84 84 GLN CA C 84 54.400 54.729 -0.329 1 1 1094 . 1 1 1 A 84 84 GLN CB C 84 29.900 30.981 -1.081 1 1 1096 . 1 1 1 A 84 84 GLN N N 84 124.800 127.098 -2.298 1 1 1098 . 1 1 1 A 85 85 VAL H H 85 8.680 8.718 -0.038 1 1 1099 . 1 1 1 A 85 85 VAL HA H 85 4.300 4.886 -0.586 1 1 1107 . 1 1 1 A 85 85 VAL C C 85 174.500 175.444 -0.944 1 1 1108 . 1 1 1 A 85 85 VAL CA C 85 61.700 61.369 0.331 1 1 1109 . 1 1 1 A 85 85 VAL CB C 85 31.700 33.055 -1.355 1 1 1112 . 1 1 1 A 85 85 VAL N N 85 125.500 125.455 0.045 1 1 1113 . 1 1 1 A 86 86 ASN H H 86 8.740 8.871 -0.131 1 1 1114 . 1 1 1 A 86 86 ASN HA H 86 5.240 5.346 -0.106 1 1 1119 . 1 1 1 A 86 86 ASN C C 86 175.300 175.051 0.249 1 1 1120 . 1 1 1 A 86 86 ASN CA C 86 51.800 51.570 0.230 1 1 1121 . 1 1 1 A 86 86 ASN CB C 86 42.400 42.557 -0.157 1 1 1122 . 1 1 1 A 86 86 ASN N N 86 124.000 124.344 -0.344 1 1 1124 . 1 1 1 A 87 87 LYS H H 87 8.530 8.593 -0.063 1 1 1125 . 1 1 1 A 87 87 LYS HA H 87 4.210 4.106 0.104 1 1 1134 . 1 1 1 A 87 87 LYS C C 87 176.700 177.199 -0.499 1 1 1135 . 1 1 1 A 87 87 LYS CA C 87 59.000 56.290 2.710 1 1 1136 . 1 1 1 A 87 87 LYS CB C 87 32.400 33.276 -0.876 1 1 1140 . 1 1 1 A 87 87 LYS N N 87 117.600 119.904 -2.304 1 1 1141 . 1 1 1 A 88 88 ASN H H 88 8.600 9.062 -0.462 1 1 1142 . 1 1 1 A 88 88 ASN HA H 88 4.810 4.681 0.129 1 1 1147 . 1 1 1 A 88 88 ASN C C 88 175.600 174.813 0.787 1 1 1148 . 1 1 1 A 88 88 ASN CA C 88 54.100 54.649 -0.549 1 1 1149 . 1 1 1 A 88 88 ASN CB C 88 39.100 38.243 0.857 1 1 1150 . 1 1 1 A 88 88 ASN N N 88 115.500 121.076 -5.576 1 1 1152 . 1 1 1 A 89 89 SER H H 89 8.150 7.870 0.280 1 1 1153 . 1 1 1 A 89 89 SER HA H 89 5.120 4.680 0.440 1 1 1156 . 1 1 1 A 89 89 SER C C 89 172.400 173.743 -1.343 1 1 1157 . 1 1 1 A 89 89 SER CA C 89 58.100 58.637 -0.537 1 1 1158 . 1 1 1 A 89 89 SER CB C 89 64.000 65.242 -1.242 1 1 1159 . 1 1 1 A 89 89 SER N N 89 117.500 116.916 0.584 1 1 1160 . 1 1 1 A 90 90 SER H H 90 8.200 8.297 -0.097 1 1 1161 . 1 1 1 A 90 90 SER HA H 90 4.680 5.313 -0.633 1 1 1164 . 1 1 1 A 90 90 SER C C 90 172.400 173.303 -0.903 1 1 1165 . 1 1 1 A 90 90 SER CA C 90 57.700 57.266 0.434 1 1 1166 . 1 1 1 A 90 90 SER CB C 90 65.700 66.510 -0.810 1 1 1167 . 1 1 1 A 90 90 SER N N 90 113.200 117.397 -4.197 1 1 1168 . 1 1 1 A 91 91 ILE H H 91 8.640 8.839 -0.199 1 1 1169 . 1 1 1 A 91 91 ILE HA H 91 5.030 5.181 -0.151 1 1 1179 . 1 1 1 A 91 91 ILE C C 91 175.300 174.404 0.896 1 1 1180 . 1 1 1 A 91 91 ILE CA C 91 60.200 60.312 -0.112 1 1 1181 . 1 1 1 A 91 91 ILE CB C 91 42.200 41.355 0.845 1 1 1185 . 1 1 1 A 91 91 ILE N N 91 119.700 122.351 -2.651 1 1 1186 . 1 1 1 A 92 92 GLU H H 92 8.810 8.885 -0.075 1 1 1187 . 1 1 1 A 92 92 GLU HA H 92 4.710 5.224 -0.514 1 1 1192 . 1 1 1 A 92 92 GLU C C 92 174.700 175.235 -0.535 1 1 1193 . 1 1 1 A 92 92 GLU CA C 92 54.600 54.676 -0.076 1 1 1194 . 1 1 1 A 92 92 GLU CB C 92 33.300 33.554 -0.254 1 1 1196 . 1 1 1 A 92 92 GLU N N 92 125.900 128.410 -2.510 1 1 1197 . 1 1 1 A 93 93 LYS H H 93 9.080 8.623 0.457 1 1 1198 . 1 1 1 A 93 93 LYS HA H 93 4.100 4.290 -0.190 1 1 1207 . 1 1 1 A 93 93 LYS C C 93 176.400 175.882 0.518 1 1 1208 . 1 1 1 A 93 93 LYS CA C 93 57.500 56.229 1.271 1 1 1209 . 1 1 1 A 93 93 LYS CB C 93 32.900 33.198 -0.298 1 1 1213 . 1 1 1 A 93 93 LYS N N 93 127.600 126.317 1.283 1 1 1214 . 1 1 1 A 94 94 LEU H H 94 8.410 8.493 -0.083 1 1 1215 . 1 1 1 A 94 94 LEU HA H 94 4.480 4.860 -0.380 1 1 1224 . 1 1 1 A 94 94 LEU C C 94 177.300 176.751 0.549 1 1 1225 . 1 1 1 A 94 94 LEU CA C 94 53.900 53.081 0.819 1 1 1226 . 1 1 1 A 94 94 LEU CB C 94 42.900 43.856 -0.956 1 1 1230 . 1 1 1 A 94 94 LEU N N 94 127.300 124.847 2.453 1 1 1231 . 1 1 1 A 95 95 SER H H 95 8.630 8.740 -0.110 1 1 1232 . 1 1 1 A 95 95 SER HA H 95 4.350 4.527 -0.177 1 1 1235 . 1 1 1 A 95 95 SER C C 95 173.800 174.074 -0.274 1 1 1236 . 1 1 1 A 95 95 SER CA C 95 58.900 58.406 0.494 1 1 1237 . 1 1 1 A 95 95 SER CB C 95 63.400 63.569 -0.169 1 1 1238 . 1 1 1 A 95 95 SER N N 95 115.700 119.320 -3.620 1 1 1239 . 1 1 1 A 96 96 GLU H H 96 7.230 7.637 -0.407 1 1 1240 . 1 1 1 A 96 96 GLU HA H 96 4.750 4.693 0.057 1 1 1245 . 1 1 1 A 96 96 GLU CA C 96 53.000 53.699 -0.699 1 1 1246 . 1 1 1 A 96 96 GLU CB C 96 30.700 30.390 0.310 1 1 1248 . 1 1 1 A 96 96 GLU N N 96 121.600 120.890 0.710 1 1 1249 . 1 1 1 A 97 97 PRO HA H 97 4.250 4.719 -0.469 1 1 1256 . 1 1 1 A 97 97 PRO CA C 97 62.400 62.854 -0.454 1 1 1257 . 1 1 1 A 97 97 PRO CB C 97 32.600 32.361 0.239 1 1 1260 . 1 1 1 A 98 98 ILE H H 98 7.920 8.382 -0.462 1 1 1261 . 1 1 1 A 98 98 ILE HA H 98 4.070 4.504 -0.434 1 1 1271 . 1 1 1 A 98 98 ILE C C 98 175.400 177.011 -1.611 1 1 1272 . 1 1 1 A 98 98 ILE CA C 98 59.300 59.905 -0.605 1 1 1273 . 1 1 1 A 98 98 ILE CB C 98 38.300 39.121 -0.821 1 1 1277 . 1 1 1 A 98 98 ILE N N 98 122.700 122.191 0.509 1 1 1278 . 1 1 1 A 99 99 GLU H H 99 8.550 8.972 -0.422 1 1 1279 . 1 1 1 A 99 99 GLU HA H 99 4.260 3.921 0.339 1 1 1284 . 1 1 1 A 99 99 GLU C C 99 175.100 176.871 -1.771 1 1 1285 . 1 1 1 A 99 99 GLU CA C 99 55.500 59.623 -4.123 1 1 1286 . 1 1 1 A 99 99 GLU CB C 99 30.000 29.863 0.137 1 1 1288 . 1 1 1 A 99 99 GLU N N 99 127.900 124.840 3.060 1 1 1289 . 1 1 1 A 100 100 VAL H H 100 7.970 7.900 0.070 1 1 1290 . 1 1 1 A 100 100 VAL HA H 100 3.980 3.779 0.201 1 1 1298 . 1 1 1 A 100 100 VAL C C 100 176.700 174.995 1.705 1 1 1299 . 1 1 1 A 100 100 VAL CA C 100 61.000 64.057 -3.057 1 1 1300 . 1 1 1 A 100 100 VAL CB C 100 33.000 30.339 2.661 1 1 1303 . 1 1 1 A 100 100 VAL N N 100 121.100 116.566 4.534 1 1 1304 . 1 1 1 A 101 101 GLY H H 101 8.520 7.921 0.599 1 1 1305 . 1 1 1 A 101 101 GLY HA2 H 101 3.830 4.282 -0.452 1 1 1306 . 1 1 1 A 101 101 GLY HA3 H 101 3.980 4.292 -0.312 1 1 1307 . 1 1 1 A 101 101 GLY C C 101 174.200 172.268 1.932 1 1 1308 . 1 1 1 A 101 101 GLY CA C 101 45.800 45.387 0.413 1 1 1309 . 1 1 1 A 101 101 GLY N N 101 114.000 108.439 5.561 1 1 1310 . 1 1 1 A 102 102 LEU H H 102 8.100 8.784 -0.684 1 1 1311 . 1 1 1 A 102 102 LEU HA H 102 4.170 4.980 -0.810 1 1 1320 . 1 1 1 A 102 102 LEU C C 102 177.700 175.414 2.286 1 1 1321 . 1 1 1 A 102 102 LEU CA C 102 55.500 54.432 1.068 1 1 1322 . 1 1 1 A 102 102 LEU CB C 102 42.600 44.916 -2.316 1 1 1326 . 1 1 1 A 102 102 LEU N N 102 121.000 125.138 -4.138 1 1 1327 . 1 1 1 A 103 103 GLU H H 103 8.420 8.867 -0.447 1 1 1328 . 1 1 1 A 103 103 GLU HA H 103 4.090 4.669 -0.579 1 1 1333 . 1 1 1 A 103 103 GLU C C 103 176.400 175.538 0.862 1 1 1334 . 1 1 1 A 103 103 GLU CA C 103 57.100 56.853 0.247 1 1 1335 . 1 1 1 A 103 103 GLU CB C 103 29.900 32.285 -2.385 1 1 1337 . 1 1 1 A 103 103 GLU N N 103 120.000 122.905 -2.905 1 1 1338 . 1 1 1 A 104 104 HIS H H 104 8.180 8.191 -0.011 1 1 1339 . 1 1 1 A 104 104 HIS HA H 104 4.580 5.290 -0.710 1 1 1342 . 1 1 1 A 104 104 HIS C C 104 173.800 173.048 0.752 1 1 1343 . 1 1 1 A 104 104 HIS CA C 104 55.700 54.425 1.275 1 1 1344 . 1 1 1 A 104 104 HIS CB C 104 30.000 33.465 -3.465 1 1 1345 . 1 1 1 A 104 104 HIS N N 104 119.000 115.647 3.353 1 1 1346 . 1 1 1 A 105 105 HIS H H 105 8.160 8.607 -0.447 1 1 1347 . 1 1 1 A 105 105 HIS HA H 105 4.380 4.496 -0.116 1 1 1350 . 1 1 1 A 105 105 HIS CA C 105 57.200 55.419 1.781 1 1 1351 . 1 1 1 A 105 105 HIS CB C 105 30.000 31.365 -1.365 1 1 1 . 2 1 1 A 3 3 PRO HA H 3 4.430 4.525 -0.095 1 1 8 . 2 1 1 A 3 3 PRO C C 3 175.600 176.513 -0.913 1 1 9 . 2 1 1 A 3 3 PRO CA C 3 62.510 62.838 -0.328 1 1 10 . 2 1 1 A 3 3 PRO CB C 3 32.000 31.814 0.186 1 1 13 . 2 1 1 A 4 4 GLN H H 4 8.580 8.472 0.108 1 1 14 . 2 1 1 A 4 4 GLN HA H 4 4.260 4.586 -0.326 1 1 21 . 2 1 1 A 4 4 GLN C C 4 176.900 175.316 1.584 1 1 22 . 2 1 1 A 4 4 GLN CA C 4 55.700 56.043 -0.343 1 1 23 . 2 1 1 A 4 4 GLN CB C 4 29.200 29.366 -0.166 1 1 25 . 2 1 1 A 4 4 GLN N N 4 120.000 121.216 -1.216 1 1 27 . 2 1 1 A 5 5 LEU H H 5 8.920 9.022 -0.102 1 1 28 . 2 1 1 A 5 5 LEU HA H 5 4.660 5.248 -0.588 1 1 38 . 2 1 1 A 5 5 LEU C C 5 176.900 176.037 0.863 1 1 39 . 2 1 1 A 5 5 LEU CA C 5 54.700 54.047 0.653 1 1 40 . 2 1 1 A 5 5 LEU CB C 5 43.000 43.582 -0.582 1 1 44 . 2 1 1 A 5 5 LEU N N 5 128.500 126.141 2.359 1 1 45 . 2 1 1 A 6 6 THR H H 6 8.750 8.931 -0.181 1 1 46 . 2 1 1 A 6 6 THR HA H 6 4.530 4.989 -0.459 1 1 51 . 2 1 1 A 6 6 THR C C 6 173.700 173.435 0.265 1 1 52 . 2 1 1 A 6 6 THR CA C 6 61.600 61.163 0.437 1 1 53 . 2 1 1 A 6 6 THR CB C 6 72.000 71.633 0.367 1 1 55 . 2 1 1 A 6 6 THR N N 6 121.000 121.486 -0.486 1 1 56 . 2 1 1 A 7 7 LYS H H 7 9.080 8.788 0.292 1 1 57 . 2 1 1 A 7 7 LYS HA H 7 4.430 4.494 -0.064 1 1 66 . 2 1 1 A 7 7 LYS C C 7 178.600 178.064 0.536 1 1 67 . 2 1 1 A 7 7 LYS CA C 7 54.300 54.550 -0.250 1 1 68 . 2 1 1 A 7 7 LYS CB C 7 32.300 34.200 -1.900 1 1 72 . 2 1 1 A 7 7 LYS N N 7 126.300 124.390 1.910 1 1 73 . 2 1 1 A 8 8 ILE H H 8 9.870 8.741 1.129 1 1 74 . 2 1 1 A 8 8 ILE HA H 8 3.240 3.731 -0.491 1 1 82 . 2 1 1 A 8 8 ILE C C 8 178.700 177.832 0.868 1 1 83 . 2 1 1 A 8 8 ILE CA C 8 66.800 65.091 1.709 1 1 84 . 2 1 1 A 8 8 ILE CB C 8 36.400 37.309 -0.909 1 1 87 . 2 1 1 A 8 8 ILE N N 8 124.700 122.086 2.614 1 1 88 . 2 1 1 A 9 9 VAL H H 9 8.340 7.977 0.363 1 1 89 . 2 1 1 A 9 9 VAL HA H 9 3.930 3.853 0.077 1 1 97 . 2 1 1 A 9 9 VAL C C 9 178.700 176.236 2.464 1 1 98 . 2 1 1 A 9 9 VAL CA C 9 63.300 64.129 -0.829 1 1 99 . 2 1 1 A 9 9 VAL CB C 9 31.700 31.496 0.204 1 1 102 . 2 1 1 A 9 9 VAL N N 9 119.500 120.353 -0.853 1 1 103 . 2 1 1 A 10 10 ASP H H 10 7.510 8.277 -0.767 1 1 104 . 2 1 1 A 10 10 ASP HA H 10 4.730 4.732 -0.002 1 1 107 . 2 1 1 A 10 10 ASP C C 10 174.500 176.568 -2.068 1 1 108 . 2 1 1 A 10 10 ASP CA C 10 54.400 54.133 0.267 1 1 109 . 2 1 1 A 10 10 ASP CB C 10 41.100 41.462 -0.362 1 1 110 . 2 1 1 A 10 10 ASP N N 10 119.100 119.663 -0.563 1 1 111 . 2 1 1 A 11 11 ILE H H 11 7.460 7.506 -0.046 1 1 112 . 2 1 1 A 11 11 ILE HA H 11 3.800 3.551 0.249 1 1 122 . 2 1 1 A 11 11 ILE C C 11 174.900 176.300 -1.400 1 1 123 . 2 1 1 A 11 11 ILE CA C 11 62.100 64.921 -2.821 1 1 124 . 2 1 1 A 11 11 ILE CB C 11 35.300 37.310 -2.010 1 1 128 . 2 1 1 A 11 11 ILE N N 11 124.200 120.738 3.462 1 1 129 . 2 1 1 A 12 12 VAL H H 12 8.530 7.635 0.895 1 1 130 . 2 1 1 A 12 12 VAL HA H 12 4.260 3.613 0.647 1 1 138 . 2 1 1 A 12 12 VAL C C 12 174.900 174.662 0.238 1 1 139 . 2 1 1 A 12 12 VAL CA C 12 60.600 63.185 -2.585 1 1 140 . 2 1 1 A 12 12 VAL CB C 12 35.400 29.534 5.866 1 1 143 . 2 1 1 A 12 12 VAL N N 12 118.400 119.585 -1.185 1 1 144 . 2 1 1 A 13 13 GLU H H 13 7.430 7.367 0.063 1 1 145 . 2 1 1 A 13 13 GLU HA H 13 4.590 4.728 -0.138 1 1 150 . 2 1 1 A 13 13 GLU C C 13 173.800 174.807 -1.007 1 1 151 . 2 1 1 A 13 13 GLU CA C 13 54.800 55.326 -0.526 1 1 152 . 2 1 1 A 13 13 GLU CB C 13 33.160 32.294 0.866 1 1 154 . 2 1 1 A 13 13 GLU N N 13 120.100 118.691 1.409 1 1 155 . 2 1 1 A 14 14 ASN H H 14 8.800 8.722 0.078 1 1 156 . 2 1 1 A 14 14 ASN HA H 14 4.110 5.023 -0.913 1 1 161 . 2 1 1 A 14 14 ASN C C 14 176.600 175.583 1.017 1 1 162 . 2 1 1 A 14 14 ASN CA C 14 54.600 52.112 2.488 1 1 163 . 2 1 1 A 14 14 ASN CB C 14 38.900 39.705 -0.805 1 1 164 . 2 1 1 A 14 14 ASN N N 14 121.500 120.285 1.215 1 1 166 . 2 1 1 A 15 15 GLY H H 15 8.620 9.338 -0.718 1 1 167 . 2 1 1 A 15 15 GLY HA2 H 15 3.460 3.674 -0.214 1 1 168 . 2 1 1 A 15 15 GLY HA3 H 15 4.110 3.791 0.319 1 1 169 . 2 1 1 A 15 15 GLY C C 15 173.100 173.510 -0.410 1 1 170 . 2 1 1 A 15 15 GLY CA C 15 45.300 45.858 -0.558 1 1 171 . 2 1 1 A 15 15 GLY N N 15 114.900 110.065 4.835 1 1 172 . 2 1 1 A 16 16 GLN H H 16 7.280 7.695 -0.415 1 1 173 . 2 1 1 A 16 16 GLN HA H 16 4.160 4.601 -0.441 1 1 180 . 2 1 1 A 16 16 GLN C C 16 174.400 174.792 -0.392 1 1 181 . 2 1 1 A 16 16 GLN CA C 16 56.300 54.514 1.786 1 1 182 . 2 1 1 A 16 16 GLN CB C 16 30.300 30.047 0.253 1 1 184 . 2 1 1 A 16 16 GLN N N 16 121.500 120.055 1.445 1 1 186 . 2 1 1 A 17 17 TRP H H 17 8.640 8.990 -0.350 1 1 187 . 2 1 1 A 17 17 TRP HA H 17 5.400 5.504 -0.104 1 1 196 . 2 1 1 A 17 17 TRP C C 17 176.900 176.071 0.829 1 1 197 . 2 1 1 A 17 17 TRP CA C 17 56.400 56.370 0.030 1 1 198 . 2 1 1 A 17 17 TRP CB C 17 30.300 30.630 -0.330 1 1 204 . 2 1 1 A 17 17 TRP N N 17 125.500 127.118 -1.618 1 1 206 . 2 1 1 A 18 18 ALA H H 18 9.020 8.648 0.372 1 1 207 . 2 1 1 A 18 18 ALA HA H 18 4.650 4.834 -0.184 1 1 211 . 2 1 1 A 18 18 ALA C C 18 174.100 175.376 -1.276 1 1 212 . 2 1 1 A 18 18 ALA CA C 18 51.430 51.334 0.096 1 1 213 . 2 1 1 A 18 18 ALA CB C 18 22.600 22.783 -0.183 1 1 214 . 2 1 1 A 18 18 ALA N N 18 124.000 123.250 0.750 1 1 215 . 2 1 1 A 19 19 ASN H H 19 8.250 8.383 -0.133 1 1 216 . 2 1 1 A 19 19 ASN HA H 19 5.710 5.692 0.018 1 1 221 . 2 1 1 A 19 19 ASN C C 19 173.500 173.914 -0.414 1 1 222 . 2 1 1 A 19 19 ASN CA C 19 51.600 52.292 -0.692 1 1 223 . 2 1 1 A 19 19 ASN CB C 19 40.100 42.673 -2.573 1 1 224 . 2 1 1 A 19 19 ASN N N 19 116.500 115.650 0.850 1 1 226 . 2 1 1 A 20 20 LEU H H 20 9.280 8.435 0.845 1 1 227 . 2 1 1 A 20 20 LEU HA H 20 4.930 4.993 -0.063 1 1 236 . 2 1 1 A 20 20 LEU C C 20 174.800 174.235 0.565 1 1 237 . 2 1 1 A 20 20 LEU CA C 20 54.200 53.970 0.230 1 1 238 . 2 1 1 A 20 20 LEU CB C 20 46.300 46.191 0.109 1 1 241 . 2 1 1 A 20 20 LEU N N 20 121.800 123.348 -1.548 1 1 242 . 2 1 1 A 21 21 LYS H H 21 8.550 8.523 0.027 1 1 243 . 2 1 1 A 21 21 LYS HA H 21 5.450 5.020 0.430 1 1 252 . 2 1 1 A 21 21 LYS C C 21 174.800 175.510 -0.710 1 1 253 . 2 1 1 A 21 21 LYS CA C 21 55.350 55.364 -0.014 1 1 254 . 2 1 1 A 21 21 LYS CB C 21 34.300 34.302 -0.002 1 1 258 . 2 1 1 A 21 21 LYS N N 21 122.500 122.543 -0.043 1 1 259 . 2 1 1 A 22 22 ALA H H 22 9.090 8.407 0.683 1 1 260 . 2 1 1 A 22 22 ALA HA H 22 4.830 4.882 -0.052 1 1 264 . 2 1 1 A 22 22 ALA C C 22 173.800 174.967 -1.167 1 1 265 . 2 1 1 A 22 22 ALA CA C 22 51.300 50.806 0.494 1 1 266 . 2 1 1 A 22 22 ALA CB C 22 24.700 23.896 0.804 1 1 267 . 2 1 1 A 22 22 ALA N N 22 123.200 122.479 0.721 1 1 268 . 2 1 1 A 23 23 LYS H H 23 9.190 8.331 0.859 1 1 269 . 2 1 1 A 23 23 LYS HA H 23 5.080 4.989 0.091 1 1 276 . 2 1 1 A 23 23 LYS C C 23 176.900 175.608 1.292 1 1 277 . 2 1 1 A 23 23 LYS CA C 23 54.100 54.704 -0.604 1 1 278 . 2 1 1 A 23 23 LYS CB C 23 35.800 34.453 1.347 1 1 281 . 2 1 1 A 23 23 LYS N N 23 121.100 121.191 -0.091 1 1 282 . 2 1 1 A 24 24 VAL H H 24 8.620 8.595 0.025 1 1 283 . 2 1 1 A 24 24 VAL HA H 24 4.110 4.149 -0.039 1 1 291 . 2 1 1 A 24 24 VAL C C 24 175.800 175.577 0.223 1 1 292 . 2 1 1 A 24 24 VAL CA C 24 62.750 63.085 -0.335 1 1 293 . 2 1 1 A 24 24 VAL CB C 24 30.500 30.894 -0.394 1 1 296 . 2 1 1 A 24 24 VAL N N 24 125.600 126.425 -0.825 1 1 297 . 2 1 1 A 25 25 ILE H H 25 8.430 8.818 -0.388 1 1 298 . 2 1 1 A 25 25 ILE HA H 25 4.210 4.024 0.186 1 1 308 . 2 1 1 A 25 25 ILE C C 25 176.700 176.720 -0.020 1 1 309 . 2 1 1 A 25 25 ILE CA C 25 62.100 63.475 -1.375 1 1 310 . 2 1 1 A 25 25 ILE CB C 25 38.300 38.469 -0.169 1 1 314 . 2 1 1 A 25 25 ILE N N 25 127.400 129.354 -1.954 1 1 315 . 2 1 1 A 26 26 GLN H H 26 7.590 7.796 -0.206 1 1 316 . 2 1 1 A 26 26 GLN HA H 26 4.560 4.778 -0.218 1 1 323 . 2 1 1 A 26 26 GLN C C 26 173.700 173.503 0.197 1 1 324 . 2 1 1 A 26 26 GLN CA C 26 55.400 54.746 0.654 1 1 325 . 2 1 1 A 26 26 GLN CB C 26 34.100 32.204 1.896 1 1 327 . 2 1 1 A 26 26 GLN N N 26 117.100 119.381 -2.281 1 1 329 . 2 1 1 A 27 27 LEU H H 27 8.470 8.991 -0.521 1 1 330 . 2 1 1 A 27 27 LEU HA H 27 4.710 5.406 -0.696 1 1 340 . 2 1 1 A 27 27 LEU C C 27 176.200 175.017 1.183 1 1 341 . 2 1 1 A 27 27 LEU CA C 27 54.100 53.189 0.911 1 1 342 . 2 1 1 A 27 27 LEU CB C 27 44.000 45.738 -1.738 1 1 346 . 2 1 1 A 27 27 LEU N N 27 123.600 126.434 -2.834 1 1 347 . 2 1 1 A 28 28 TRP H H 28 8.850 8.426 0.424 1 1 348 . 2 1 1 A 28 28 TRP HA H 28 5.180 5.102 0.078 1 1 357 . 2 1 1 A 28 28 TRP C C 28 175.900 175.262 0.638 1 1 358 . 2 1 1 A 28 28 TRP CA C 28 53.300 56.378 -3.078 1 1 359 . 2 1 1 A 28 28 TRP CB C 28 31.400 32.375 -0.975 1 1 365 . 2 1 1 A 28 28 TRP N N 28 123.900 128.053 -4.153 1 1 367 . 2 1 1 A 29 29 GLU H H 29 8.620 8.468 0.152 1 1 368 . 2 1 1 A 29 29 GLU HA H 29 4.250 4.458 -0.208 1 1 373 . 2 1 1 A 29 29 GLU C C 29 175.700 175.526 0.174 1 1 374 . 2 1 1 A 29 29 GLU CA C 29 56.800 56.862 -0.062 1 1 375 . 2 1 1 A 29 29 GLU CB C 29 30.000 30.122 -0.122 1 1 377 . 2 1 1 A 29 29 GLU N N 29 120.700 126.672 -5.972 1 1 378 . 2 1 1 A 30 30 ASN H H 30 8.720 8.452 0.268 1 1 379 . 2 1 1 A 30 30 ASN HA H 30 4.870 5.488 -0.618 1 1 384 . 2 1 1 A 30 30 ASN C C 30 174.800 174.357 0.443 1 1 385 . 2 1 1 A 30 30 ASN CA C 30 53.800 52.433 1.367 1 1 386 . 2 1 1 A 30 30 ASN CB C 30 41.200 41.865 -0.665 1 1 387 . 2 1 1 A 30 30 ASN N N 30 121.400 124.049 -2.649 1 1 389 . 2 1 1 A 31 31 THR H H 31 8.300 8.777 -0.477 1 1 390 . 2 1 1 A 31 31 THR HA H 31 4.430 4.827 -0.397 1 1 395 . 2 1 1 A 31 31 THR C C 31 174.200 174.725 -0.525 1 1 396 . 2 1 1 A 31 31 THR CA C 31 61.000 60.223 0.777 1 1 397 . 2 1 1 A 31 31 THR CB C 31 69.600 69.037 0.563 1 1 399 . 2 1 1 A 31 31 THR N N 31 114.200 119.124 -4.924 1 1 400 . 2 1 1 A 32 32 HIS H H 32 7.840 8.507 -0.667 1 1 401 . 2 1 1 A 32 32 HIS HA H 32 4.560 4.665 -0.105 1 1 405 . 2 1 1 A 32 32 HIS C C 32 177.300 175.051 2.249 1 1 406 . 2 1 1 A 32 32 HIS CA C 32 57.600 55.899 1.701 1 1 407 . 2 1 1 A 32 32 HIS CB C 32 32.000 29.757 2.243 1 1 409 . 2 1 1 A 32 32 HIS N N 32 122.500 122.581 -0.081 1 1 410 . 2 1 1 A 33 33 GLU H H 33 9.020 8.212 0.808 1 1 411 . 2 1 1 A 33 33 GLU HA H 33 4.120 4.142 -0.022 1 1 416 . 2 1 1 A 33 33 GLU C C 33 177.100 177.540 -0.440 1 1 417 . 2 1 1 A 33 33 GLU CA C 33 59.000 58.293 0.707 1 1 418 . 2 1 1 A 33 33 GLU CB C 33 29.400 29.568 -0.168 1 1 420 . 2 1 1 A 33 33 GLU N N 33 127.300 119.262 8.038 1 1 421 . 2 1 1 A 34 34 SER H H 34 9.430 9.130 0.300 1 1 422 . 2 1 1 A 34 34 SER HA H 34 4.580 4.626 -0.046 1 1 425 . 2 1 1 A 34 34 SER C C 34 174.800 174.001 0.799 1 1 426 . 2 1 1 A 34 34 SER CA C 34 59.500 61.765 -2.265 1 1 427 . 2 1 1 A 34 34 SER CB C 34 63.600 63.876 -0.276 1 1 428 . 2 1 1 A 34 34 SER N N 34 113.400 112.442 0.958 1 1 429 . 2 1 1 A 35 35 ILE H H 35 7.920 8.039 -0.119 1 1 430 . 2 1 1 A 35 35 ILE HA H 35 4.080 3.979 0.101 1 1 440 . 2 1 1 A 35 35 ILE C C 35 174.300 175.658 -1.358 1 1 441 . 2 1 1 A 35 35 ILE CA C 35 61.600 60.015 1.585 1 1 442 . 2 1 1 A 35 35 ILE CB C 35 40.700 39.007 1.693 1 1 446 . 2 1 1 A 35 35 ILE N N 35 125.800 120.078 5.722 1 1 447 . 2 1 1 A 36 36 SER H H 36 9.010 8.712 0.298 1 1 448 . 2 1 1 A 36 36 SER HA H 36 4.480 4.422 0.058 1 1 451 . 2 1 1 A 36 36 SER C C 36 174.900 174.340 0.560 1 1 452 . 2 1 1 A 36 36 SER CA C 36 58.800 60.181 -1.381 1 1 453 . 2 1 1 A 36 36 SER CB C 36 64.300 63.151 1.149 1 1 454 . 2 1 1 A 36 36 SER N N 36 119.100 122.348 -3.248 1 1 455 . 2 1 1 A 37 37 GLN H H 37 7.390 7.116 0.274 1 1 456 . 2 1 1 A 37 37 GLN HA H 37 4.690 4.696 -0.006 1 1 463 . 2 1 1 A 37 37 GLN C C 37 171.800 173.119 -1.319 1 1 464 . 2 1 1 A 37 37 GLN CA C 37 54.900 54.704 0.196 1 1 465 . 2 1 1 A 37 37 GLN CB C 37 36.200 31.706 4.494 1 1 466 . 2 1 1 A 37 37 GLN N N 37 116.500 114.580 1.920 1 1 468 . 2 1 1 A 38 38 VAL H H 38 8.640 8.394 0.246 1 1 469 . 2 1 1 A 38 38 VAL HA H 38 4.160 4.542 -0.382 1 1 477 . 2 1 1 A 38 38 VAL C C 38 172.400 174.340 -1.940 1 1 478 . 2 1 1 A 38 38 VAL CA C 38 58.500 59.154 -0.654 1 1 479 . 2 1 1 A 38 38 VAL CB C 38 35.300 35.385 -0.085 1 1 482 . 2 1 1 A 38 38 VAL N N 38 120.400 116.165 4.235 1 1 483 . 2 1 1 A 39 39 GLY H H 39 6.440 7.221 -0.781 1 1 484 . 2 1 1 A 39 39 GLY HA2 H 39 3.690 4.229 -0.539 1 1 485 . 2 1 1 A 39 39 GLY HA3 H 39 1.940 4.340 -2.400 1 1 486 . 2 1 1 A 39 39 GLY C C 39 170.600 171.690 -1.090 1 1 487 . 2 1 1 A 39 39 GLY CA C 39 45.300 46.147 -0.847 1 1 488 . 2 1 1 A 39 39 GLY N N 39 109.600 108.505 1.095 1 1 489 . 2 1 1 A 40 40 LEU H H 40 8.380 8.423 -0.043 1 1 490 . 2 1 1 A 40 40 LEU HA H 40 4.980 5.437 -0.457 1 1 499 . 2 1 1 A 40 40 LEU C C 40 176.000 175.775 0.225 1 1 500 . 2 1 1 A 40 40 LEU CA C 40 53.200 53.367 -0.167 1 1 501 . 2 1 1 A 40 40 LEU CB C 40 47.400 45.393 2.007 1 1 504 . 2 1 1 A 40 40 LEU N N 40 119.500 122.330 -2.830 1 1 505 . 2 1 1 A 41 41 LEU H H 41 9.410 9.387 0.023 1 1 506 . 2 1 1 A 41 41 LEU HA H 41 5.320 5.047 0.273 1 1 516 . 2 1 1 A 41 41 LEU C C 41 176.700 175.678 1.022 1 1 517 . 2 1 1 A 41 41 LEU CA C 41 52.400 53.024 -0.624 1 1 518 . 2 1 1 A 41 41 LEU CB C 41 44.900 43.671 1.229 1 1 522 . 2 1 1 A 41 41 LEU N N 41 122.700 122.482 0.218 1 1 523 . 2 1 1 A 42 42 GLY H H 42 9.210 9.948 -0.738 1 1 524 . 2 1 1 A 42 42 GLY HA2 H 42 3.550 4.054 -0.504 1 1 525 . 2 1 1 A 42 42 GLY HA3 H 42 5.350 4.056 1.294 1 1 526 . 2 1 1 A 42 42 GLY C C 42 171.200 172.629 -1.429 1 1 527 . 2 1 1 A 42 42 GLY CA C 42 45.700 45.815 -0.115 1 1 528 . 2 1 1 A 42 42 GLY N N 42 104.600 112.672 -8.072 1 1 529 . 2 1 1 A 43 43 ASP H H 43 8.960 8.656 0.304 1 1 530 . 2 1 1 A 43 43 ASP HA H 43 4.640 4.929 -0.289 1 1 533 . 2 1 1 A 43 43 ASP C C 43 175.600 177.425 -1.825 1 1 534 . 2 1 1 A 43 43 ASP CA C 43 52.700 53.311 -0.611 1 1 535 . 2 1 1 A 43 43 ASP CB C 43 41.600 42.662 -1.062 1 1 536 . 2 1 1 A 43 43 ASP N N 43 121.900 125.554 -3.654 1 1 537 . 2 1 1 A 44 44 GLU H H 44 10.150 9.041 1.109 1 1 538 . 2 1 1 A 44 44 GLU HA H 44 4.380 4.114 0.266 1 1 543 . 2 1 1 A 44 44 GLU C C 44 176.900 176.884 0.016 1 1 544 . 2 1 1 A 44 44 GLU CA C 44 59.300 58.673 0.627 1 1 545 . 2 1 1 A 44 44 GLU CB C 44 28.100 29.047 -0.947 1 1 547 . 2 1 1 A 44 44 GLU N N 44 118.000 121.242 -3.242 1 1 548 . 2 1 1 A 45 45 THR H H 45 9.600 7.669 1.931 1 1 549 . 2 1 1 A 45 45 THR HA H 45 4.580 4.476 0.104 1 1 554 . 2 1 1 A 45 45 THR C C 45 174.800 173.857 0.943 1 1 555 . 2 1 1 A 45 45 THR CA C 45 61.700 62.352 -0.652 1 1 556 . 2 1 1 A 45 45 THR CB C 45 70.000 69.442 0.558 1 1 558 . 2 1 1 A 45 45 THR N N 45 112.000 109.345 2.655 1 1 559 . 2 1 1 A 46 46 GLY H H 46 7.640 7.369 0.271 1 1 560 . 2 1 1 A 46 46 GLY HA2 H 46 3.830 4.122 -0.292 1 1 561 . 2 1 1 A 46 46 GLY HA3 H 46 4.000 4.122 -0.122 1 1 562 . 2 1 1 A 46 46 GLY C C 46 169.400 171.416 -2.016 1 1 563 . 2 1 1 A 46 46 GLY CA C 46 46.000 45.165 0.835 1 1 564 . 2 1 1 A 46 46 GLY N N 46 110.600 107.777 2.823 1 1 565 . 2 1 1 A 47 47 ILE H H 47 8.000 8.525 -0.525 1 1 566 . 2 1 1 A 47 47 ILE HA H 47 5.450 5.401 0.049 1 1 576 . 2 1 1 A 47 47 ILE C C 47 175.200 174.274 0.926 1 1 577 . 2 1 1 A 47 47 ILE CA C 47 59.100 58.649 0.451 1 1 578 . 2 1 1 A 47 47 ILE CB C 47 42.400 42.472 -0.072 1 1 582 . 2 1 1 A 47 47 ILE N N 47 113.900 118.881 -4.981 1 1 583 . 2 1 1 A 48 48 ILE H H 48 9.340 8.249 1.091 1 1 584 . 2 1 1 A 48 48 ILE HA H 48 4.640 4.660 -0.020 1 1 594 . 2 1 1 A 48 48 ILE C C 48 171.500 174.433 -2.933 1 1 595 . 2 1 1 A 48 48 ILE CA C 48 60.600 59.388 1.212 1 1 596 . 2 1 1 A 48 48 ILE CB C 48 42.000 41.318 0.682 1 1 600 . 2 1 1 A 48 48 ILE N N 48 123.600 121.827 1.773 1 1 601 . 2 1 1 A 49 49 LYS H H 49 8.350 8.370 -0.020 1 1 602 . 2 1 1 A 49 49 LYS HA H 49 4.820 4.840 -0.020 1 1 611 . 2 1 1 A 49 49 LYS C C 49 174.700 176.054 -1.354 1 1 612 . 2 1 1 A 49 49 LYS CA C 49 56.400 56.092 0.308 1 1 613 . 2 1 1 A 49 49 LYS CB C 49 33.800 34.551 -0.751 1 1 617 . 2 1 1 A 49 49 LYS N N 49 129.100 125.559 3.541 1 1 618 . 2 1 1 A 50 50 PHE H H 50 8.570 8.163 0.407 1 1 619 . 2 1 1 A 50 50 PHE HA H 50 5.820 5.340 0.480 1 1 627 . 2 1 1 A 50 50 PHE C C 50 172.100 172.754 -0.654 1 1 628 . 2 1 1 A 50 50 PHE CA C 50 54.800 56.345 -1.545 1 1 629 . 2 1 1 A 50 50 PHE CB C 50 43.900 41.927 1.973 1 1 635 . 2 1 1 A 50 50 PHE N N 50 122.700 116.877 5.823 1 1 636 . 2 1 1 A 51 51 THR H H 51 8.190 8.709 -0.519 1 1 637 . 2 1 1 A 51 51 THR HA H 51 4.320 4.794 -0.474 1 1 642 . 2 1 1 A 51 51 THR C C 51 172.900 173.181 -0.281 1 1 643 . 2 1 1 A 51 51 THR CA C 51 61.700 61.580 0.120 1 1 644 . 2 1 1 A 51 51 THR CB C 51 72.500 72.051 0.449 1 1 646 . 2 1 1 A 51 51 THR N N 51 114.400 114.463 -0.063 1 1 647 . 2 1 1 A 52 52 ILE H H 52 8.880 8.941 -0.061 1 1 648 . 2 1 1 A 52 52 ILE HA H 52 4.650 4.816 -0.166 1 1 658 . 2 1 1 A 52 52 ILE C C 52 176.000 175.160 0.840 1 1 659 . 2 1 1 A 52 52 ILE CA C 52 60.500 60.294 0.206 1 1 660 . 2 1 1 A 52 52 ILE CB C 52 38.900 39.785 -0.885 1 1 664 . 2 1 1 A 52 52 ILE N N 52 123.400 127.274 -3.874 1 1 665 . 2 1 1 A 53 53 TRP H H 53 8.020 8.756 -0.736 1 1 666 . 2 1 1 A 53 53 TRP HA H 53 4.740 4.875 -0.135 1 1 675 . 2 1 1 A 53 53 TRP C C 53 177.500 177.400 0.100 1 1 676 . 2 1 1 A 53 53 TRP CA C 53 57.700 56.871 0.829 1 1 677 . 2 1 1 A 53 53 TRP CB C 53 30.400 30.621 -0.221 1 1 683 . 2 1 1 A 53 53 TRP N N 53 129.500 128.394 1.106 1 1 685 . 2 1 1 A 54 54 LYS H H 54 8.980 9.251 -0.271 1 1 686 . 2 1 1 A 54 54 LYS HA H 54 4.100 4.080 0.020 1 1 695 . 2 1 1 A 54 54 LYS C C 54 177.700 178.415 -0.715 1 1 696 . 2 1 1 A 54 54 LYS CA C 54 59.400 59.938 -0.538 1 1 697 . 2 1 1 A 54 54 LYS CB C 54 32.400 32.228 0.172 1 1 701 . 2 1 1 A 54 54 LYS N N 54 125.500 124.326 1.174 1 1 702 . 2 1 1 A 55 55 ASN H H 55 8.600 8.953 -0.353 1 1 703 . 2 1 1 A 55 55 ASN HA H 55 4.510 4.608 -0.098 1 1 708 . 2 1 1 A 55 55 ASN C C 55 175.300 176.429 -1.129 1 1 709 . 2 1 1 A 55 55 ASN CA C 55 53.700 54.747 -1.047 1 1 710 . 2 1 1 A 55 55 ASN CB C 55 37.100 36.993 0.107 1 1 711 . 2 1 1 A 55 55 ASN N N 55 115.400 116.031 -0.631 1 1 713 . 2 1 1 A 56 56 ALA H H 56 7.630 7.779 -0.149 1 1 714 . 2 1 1 A 56 56 ALA HA H 56 3.970 4.365 -0.395 1 1 718 . 2 1 1 A 56 56 ALA C C 56 176.100 176.898 -0.798 1 1 719 . 2 1 1 A 56 56 ALA CA C 56 53.500 52.899 0.601 1 1 720 . 2 1 1 A 56 56 ALA CB C 56 18.400 19.668 -1.268 1 1 721 . 2 1 1 A 56 56 ALA N N 56 121.200 122.220 -1.020 1 1 722 . 2 1 1 A 57 57 GLU H H 57 7.880 8.317 -0.437 1 1 723 . 2 1 1 A 57 57 GLU HA H 57 3.940 3.878 0.062 1 1 728 . 2 1 1 A 57 57 GLU C C 57 175.400 174.946 0.454 1 1 729 . 2 1 1 A 57 57 GLU CA C 57 56.700 57.545 -0.845 1 1 730 . 2 1 1 A 57 57 GLU CB C 57 27.300 27.040 0.260 1 1 732 . 2 1 1 A 57 57 GLU N N 57 112.500 115.113 -2.613 1 1 733 . 2 1 1 A 58 58 LEU H H 58 7.910 7.825 0.085 1 1 734 . 2 1 1 A 58 58 LEU HA H 58 4.740 4.787 -0.047 1 1 744 . 2 1 1 A 58 58 LEU C C 58 175.400 174.545 0.855 1 1 745 . 2 1 1 A 58 58 LEU CA C 58 52.300 51.882 0.418 1 1 746 . 2 1 1 A 58 58 LEU CB C 58 42.900 42.681 0.219 1 1 750 . 2 1 1 A 58 58 LEU N N 58 120.000 120.107 -0.107 1 1 751 . 2 1 1 A 59 59 PRO HA H 59 4.380 4.484 -0.104 1 1 758 . 2 1 1 A 59 59 PRO CA C 59 62.200 63.040 -0.840 1 1 759 . 2 1 1 A 59 59 PRO CB C 59 32.000 31.884 0.116 1 1 762 . 2 1 1 A 60 60 LEU H H 60 7.860 8.221 -0.361 1 1 763 . 2 1 1 A 60 60 LEU HA H 60 3.920 4.390 -0.470 1 1 773 . 2 1 1 A 60 60 LEU C C 60 178.300 177.085 1.215 1 1 774 . 2 1 1 A 60 60 LEU CA C 60 55.000 54.782 0.218 1 1 775 . 2 1 1 A 60 60 LEU CB C 60 41.800 42.605 -0.805 1 1 779 . 2 1 1 A 60 60 LEU N N 60 117.500 123.953 -6.453 1 1 780 . 2 1 1 A 61 61 LEU H H 61 9.680 8.351 1.329 1 1 781 . 2 1 1 A 61 61 LEU HA H 61 4.040 3.810 0.230 1 1 791 . 2 1 1 A 61 61 LEU C C 61 177.300 176.834 0.466 1 1 792 . 2 1 1 A 61 61 LEU CA C 61 54.100 54.151 -0.051 1 1 793 . 2 1 1 A 61 61 LEU CB C 61 41.300 42.075 -0.775 1 1 797 . 2 1 1 A 61 61 LEU N N 61 122.300 124.527 -2.227 1 1 798 . 2 1 1 A 62 62 GLU H H 62 8.390 9.273 -0.883 1 1 799 . 2 1 1 A 62 62 GLU HA H 62 4.430 4.674 -0.244 1 1 804 . 2 1 1 A 62 62 GLU C C 62 175.600 176.354 -0.754 1 1 805 . 2 1 1 A 62 62 GLU CA C 62 54.800 55.065 -0.265 1 1 806 . 2 1 1 A 62 62 GLU CB C 62 32.200 31.647 0.553 1 1 808 . 2 1 1 A 62 62 GLU N N 62 120.500 123.118 -2.618 1 1 809 . 2 1 1 A 63 63 GLN H H 63 8.780 8.756 0.024 1 1 810 . 2 1 1 A 63 63 GLN HA H 63 3.700 4.035 -0.335 1 1 817 . 2 1 1 A 63 63 GLN C C 63 176.600 176.870 -0.270 1 1 818 . 2 1 1 A 63 63 GLN CA C 63 58.100 57.680 0.420 1 1 819 . 2 1 1 A 63 63 GLN CB C 63 28.300 28.472 -0.172 1 1 821 . 2 1 1 A 63 63 GLN N N 63 123.300 123.614 -0.314 1 1 823 . 2 1 1 A 64 64 GLY H H 64 9.140 8.676 0.464 1 1 824 . 2 1 1 A 64 64 GLY HA2 H 64 3.580 3.958 -0.378 1 1 825 . 2 1 1 A 64 64 GLY HA3 H 64 4.390 3.959 0.431 1 1 826 . 2 1 1 A 64 64 GLY C C 64 173.900 173.833 0.067 1 1 827 . 2 1 1 A 64 64 GLY CA C 64 45.300 45.145 0.155 1 1 828 . 2 1 1 A 64 64 GLY N N 64 115.100 114.852 0.248 1 1 829 . 2 1 1 A 65 65 GLU H H 65 7.590 7.648 -0.058 1 1 830 . 2 1 1 A 65 65 GLU HA H 65 4.490 4.616 -0.126 1 1 835 . 2 1 1 A 65 65 GLU C C 65 174.200 175.715 -1.515 1 1 836 . 2 1 1 A 65 65 GLU CA C 65 54.900 54.602 0.298 1 1 837 . 2 1 1 A 65 65 GLU CB C 65 30.500 31.400 -0.900 1 1 839 . 2 1 1 A 65 65 GLU N N 65 120.300 120.495 -0.195 1 1 840 . 2 1 1 A 66 66 SER H H 66 8.700 8.339 0.361 1 1 841 . 2 1 1 A 66 66 SER HA H 66 5.330 5.129 0.201 1 1 844 . 2 1 1 A 66 66 SER C C 66 174.100 173.333 0.767 1 1 845 . 2 1 1 A 66 66 SER CA C 66 58.300 56.497 1.803 1 1 846 . 2 1 1 A 66 66 SER CB C 66 65.500 65.059 0.441 1 1 847 . 2 1 1 A 66 66 SER N N 66 116.500 113.987 2.513 1 1 848 . 2 1 1 A 67 67 TYR H H 67 9.090 8.645 0.445 1 1 849 . 2 1 1 A 67 67 TYR HA H 67 5.110 4.959 0.151 1 1 856 . 2 1 1 A 67 67 TYR C C 67 173.900 174.517 -0.617 1 1 857 . 2 1 1 A 67 67 TYR CA C 67 57.500 56.349 1.151 1 1 858 . 2 1 1 A 67 67 TYR CB C 67 43.900 42.836 1.064 1 1 863 . 2 1 1 A 67 67 TYR N N 67 119.000 119.924 -0.924 1 1 864 . 2 1 1 A 68 68 LEU H H 68 9.230 9.383 -0.153 1 1 865 . 2 1 1 A 68 68 LEU HA H 68 5.000 4.993 0.007 1 1 875 . 2 1 1 A 68 68 LEU C C 68 175.300 174.545 0.755 1 1 876 . 2 1 1 A 68 68 LEU CA C 68 54.300 54.090 0.210 1 1 877 . 2 1 1 A 68 68 LEU CB C 68 43.800 44.803 -1.003 1 1 881 . 2 1 1 A 68 68 LEU N N 68 121.800 124.698 -2.898 1 1 882 . 2 1 1 A 69 69 LEU H H 69 9.460 8.794 0.666 1 1 883 . 2 1 1 A 69 69 LEU HA H 69 5.010 4.953 0.057 1 1 893 . 2 1 1 A 69 69 LEU C C 69 175.000 175.753 -0.753 1 1 894 . 2 1 1 A 69 69 LEU CA C 69 54.100 53.690 0.410 1 1 895 . 2 1 1 A 69 69 LEU CB C 69 42.300 42.856 -0.556 1 1 899 . 2 1 1 A 69 69 LEU N N 69 128.500 128.428 0.072 1 1 900 . 2 1 1 A 70 70 ARG H H 70 8.910 8.542 0.368 1 1 901 . 2 1 1 A 70 70 ARG HA H 70 4.850 4.845 0.005 1 1 909 . 2 1 1 A 70 70 ARG C C 70 176.400 176.370 0.030 1 1 910 . 2 1 1 A 70 70 ARG CA C 70 54.900 54.242 0.658 1 1 911 . 2 1 1 A 70 70 ARG CB C 70 32.300 33.435 -1.135 1 1 914 . 2 1 1 A 70 70 ARG N N 70 121.500 124.705 -3.205 1 1 916 . 2 1 1 A 71 71 SER H H 71 8.800 9.919 -1.119 1 1 917 . 2 1 1 A 71 71 SER HA H 71 3.870 4.194 -0.324 1 1 920 . 2 1 1 A 71 71 SER C C 71 175.800 173.416 2.384 1 1 921 . 2 1 1 A 71 71 SER CA C 71 58.600 59.175 -0.575 1 1 922 . 2 1 1 A 71 71 SER CB C 71 62.000 61.811 0.189 1 1 923 . 2 1 1 A 71 71 SER N N 71 114.400 117.739 -3.339 1 1 924 . 2 1 1 A 72 72 VAL H H 72 8.750 7.511 1.239 1 1 925 . 2 1 1 A 72 72 VAL HA H 72 4.610 4.985 -0.375 1 1 933 . 2 1 1 A 72 72 VAL C C 72 173.300 173.997 -0.697 1 1 934 . 2 1 1 A 72 72 VAL CA C 72 59.300 59.616 -0.316 1 1 935 . 2 1 1 A 72 72 VAL CB C 72 31.900 34.666 -2.766 1 1 938 . 2 1 1 A 72 72 VAL N N 72 115.500 115.384 0.116 1 1 939 . 2 1 1 A 73 73 VAL H H 73 7.940 8.307 -0.367 1 1 940 . 2 1 1 A 73 73 VAL HA H 73 4.760 4.604 0.156 1 1 948 . 2 1 1 A 73 73 VAL C C 73 174.300 173.513 0.787 1 1 949 . 2 1 1 A 73 73 VAL CA C 73 58.800 59.102 -0.302 1 1 950 . 2 1 1 A 73 73 VAL CB C 73 34.500 34.719 -0.219 1 1 953 . 2 1 1 A 73 73 VAL N N 73 118.200 121.016 -2.816 1 1 954 . 2 1 1 A 74 74 VAL H H 74 8.430 8.089 0.341 1 1 955 . 2 1 1 A 74 74 VAL HA H 74 4.560 4.564 -0.004 1 1 963 . 2 1 1 A 74 74 VAL C C 74 177.300 175.715 1.585 1 1 964 . 2 1 1 A 74 74 VAL CA C 74 62.100 60.972 1.128 1 1 965 . 2 1 1 A 74 74 VAL CB C 74 32.700 32.487 0.213 1 1 968 . 2 1 1 A 74 74 VAL N N 74 127.800 126.894 0.906 1 1 969 . 2 1 1 A 75 75 GLY H H 75 9.040 9.499 -0.459 1 1 970 . 2 1 1 A 75 75 GLY HA2 H 75 3.750 4.243 -0.493 1 1 971 . 2 1 1 A 75 75 GLY HA3 H 75 5.120 4.286 0.834 1 1 972 . 2 1 1 A 75 75 GLY C C 75 172.500 171.886 0.614 1 1 973 . 2 1 1 A 75 75 GLY CA C 75 43.700 44.009 -0.309 1 1 974 . 2 1 1 A 75 75 GLY N N 75 116.000 115.628 0.372 1 1 975 . 2 1 1 A 76 76 GLU H H 76 8.380 8.578 -0.198 1 1 976 . 2 1 1 A 76 76 GLU HA H 76 4.690 4.558 0.132 1 1 981 . 2 1 1 A 76 76 GLU C C 76 176.000 174.780 1.220 1 1 982 . 2 1 1 A 76 76 GLU CA C 76 56.100 55.564 0.536 1 1 983 . 2 1 1 A 76 76 GLU CB C 76 32.000 30.312 1.688 1 1 985 . 2 1 1 A 76 76 GLU N N 76 120.200 122.542 -2.342 1 1 986 . 2 1 1 A 77 77 TYR H H 77 8.430 8.512 -0.082 1 1 987 . 2 1 1 A 77 77 TYR HA H 77 4.570 4.871 -0.301 1 1 994 . 2 1 1 A 77 77 TYR C C 77 174.200 175.195 -0.995 1 1 995 . 2 1 1 A 77 77 TYR CA C 77 56.500 56.892 -0.392 1 1 996 . 2 1 1 A 77 77 TYR CB C 77 39.800 39.178 0.622 1 1 1001 . 2 1 1 A 77 77 TYR N N 77 124.400 129.755 -5.355 1 1 1002 . 2 1 1 A 78 78 ASN H H 78 9.100 8.753 0.347 1 1 1003 . 2 1 1 A 78 78 ASN HA H 78 4.000 4.192 -0.192 1 1 1008 . 2 1 1 A 78 78 ASN C C 78 177.300 175.162 2.138 1 1 1009 . 2 1 1 A 78 78 ASN CA C 78 54.700 55.178 -0.478 1 1 1010 . 2 1 1 A 78 78 ASN CB C 78 36.600 37.330 -0.730 1 1 1011 . 2 1 1 A 78 78 ASN N N 78 125.800 123.373 2.427 1 1 1013 . 2 1 1 A 79 79 ASP H H 79 8.640 8.806 -0.166 1 1 1014 . 2 1 1 A 79 79 ASP HA H 79 4.240 4.522 -0.282 1 1 1017 . 2 1 1 A 79 79 ASP C C 79 174.600 175.898 -1.298 1 1 1018 . 2 1 1 A 79 79 ASP CA C 79 54.900 55.168 -0.268 1 1 1019 . 2 1 1 A 79 79 ASP CB C 79 39.700 42.022 -2.322 1 1 1020 . 2 1 1 A 79 79 ASP N N 79 115.700 125.660 -9.960 1 1 1021 . 2 1 1 A 80 80 ARG H H 80 7.880 7.714 0.166 1 1 1022 . 2 1 1 A 80 80 ARG HA H 80 4.370 4.629 -0.259 1 1 1030 . 2 1 1 A 80 80 ARG C C 80 175.000 175.356 -0.356 1 1 1031 . 2 1 1 A 80 80 ARG CA C 80 54.200 54.554 -0.354 1 1 1032 . 2 1 1 A 80 80 ARG CB C 80 31.800 31.717 0.083 1 1 1035 . 2 1 1 A 80 80 ARG N N 80 119.700 118.568 1.132 1 1 1037 . 2 1 1 A 81 81 PHE H H 81 8.410 9.010 -0.600 1 1 1038 . 2 1 1 A 81 81 PHE HA H 81 5.420 5.073 0.347 1 1 1046 . 2 1 1 A 81 81 PHE C C 81 174.400 174.968 -0.568 1 1 1047 . 2 1 1 A 81 81 PHE CA C 81 57.200 57.194 0.006 1 1 1048 . 2 1 1 A 81 81 PHE CB C 81 42.000 41.407 0.593 1 1 1054 . 2 1 1 A 81 81 PHE N N 81 120.700 119.657 1.043 1 1 1055 . 2 1 1 A 82 82 GLN H H 82 8.950 8.777 0.173 1 1 1056 . 2 1 1 A 82 82 GLN HA H 82 5.110 4.876 0.234 1 1 1063 . 2 1 1 A 82 82 GLN C C 82 172.400 173.864 -1.464 1 1 1064 . 2 1 1 A 82 82 GLN CA C 82 53.500 54.784 -1.284 1 1 1065 . 2 1 1 A 82 82 GLN CB C 82 31.900 33.008 -1.108 1 1 1067 . 2 1 1 A 82 82 GLN N N 82 115.000 120.610 -5.610 1 1 1069 . 2 1 1 A 83 83 VAL H H 83 9.090 8.455 0.635 1 1 1070 . 2 1 1 A 83 83 VAL HA H 83 4.380 4.733 -0.353 1 1 1078 . 2 1 1 A 83 83 VAL C C 83 174.600 175.077 -0.477 1 1 1079 . 2 1 1 A 83 83 VAL CA C 83 61.600 61.823 -0.223 1 1 1080 . 2 1 1 A 83 83 VAL CB C 83 33.500 32.748 0.752 1 1 1083 . 2 1 1 A 83 83 VAL N N 83 118.900 126.591 -7.691 1 1 1084 . 2 1 1 A 84 84 GLN H H 84 9.280 8.715 0.565 1 1 1085 . 2 1 1 A 84 84 GLN HA H 84 5.020 5.026 -0.006 1 1 1092 . 2 1 1 A 84 84 GLN C C 84 174.500 174.715 -0.215 1 1 1093 . 2 1 1 A 84 84 GLN CA C 84 54.400 54.807 -0.407 1 1 1094 . 2 1 1 A 84 84 GLN CB C 84 29.900 30.818 -0.918 1 1 1096 . 2 1 1 A 84 84 GLN N N 84 124.800 127.133 -2.333 1 1 1098 . 2 1 1 A 85 85 VAL H H 85 8.680 8.896 -0.216 1 1 1099 . 2 1 1 A 85 85 VAL HA H 85 4.300 4.960 -0.660 1 1 1107 . 2 1 1 A 85 85 VAL C C 85 174.500 174.778 -0.278 1 1 1108 . 2 1 1 A 85 85 VAL CA C 85 61.700 61.260 0.440 1 1 1109 . 2 1 1 A 85 85 VAL CB C 85 31.700 33.314 -1.614 1 1 1112 . 2 1 1 A 85 85 VAL N N 85 125.500 125.692 -0.192 1 1 1113 . 2 1 1 A 86 86 ASN H H 86 8.740 9.185 -0.445 1 1 1114 . 2 1 1 A 86 86 ASN HA H 86 5.240 5.483 -0.243 1 1 1119 . 2 1 1 A 86 86 ASN C C 86 175.300 173.563 1.737 1 1 1120 . 2 1 1 A 86 86 ASN CA C 86 51.800 51.821 -0.021 1 1 1121 . 2 1 1 A 86 86 ASN CB C 86 42.400 41.024 1.376 1 1 1122 . 2 1 1 A 86 86 ASN N N 86 124.000 123.056 0.944 1 1 1124 . 2 1 1 A 87 87 LYS H H 87 8.530 8.506 0.024 1 1 1125 . 2 1 1 A 87 87 LYS HA H 87 4.210 3.908 0.302 1 1 1134 . 2 1 1 A 87 87 LYS C C 87 176.700 177.161 -0.461 1 1 1135 . 2 1 1 A 87 87 LYS CA C 87 59.000 57.850 1.150 1 1 1136 . 2 1 1 A 87 87 LYS CB C 87 32.400 32.724 -0.324 1 1 1140 . 2 1 1 A 87 87 LYS N N 87 117.600 122.145 -4.545 1 1 1141 . 2 1 1 A 88 88 ASN H H 88 8.600 8.995 -0.395 1 1 1142 . 2 1 1 A 88 88 ASN HA H 88 4.810 4.619 0.191 1 1 1147 . 2 1 1 A 88 88 ASN C C 88 175.600 174.943 0.657 1 1 1148 . 2 1 1 A 88 88 ASN CA C 88 54.100 54.785 -0.685 1 1 1149 . 2 1 1 A 88 88 ASN CB C 88 39.100 38.196 0.904 1 1 1150 . 2 1 1 A 88 88 ASN N N 88 115.500 124.135 -8.635 1 1 1152 . 2 1 1 A 89 89 SER H H 89 8.150 8.327 -0.177 1 1 1153 . 2 1 1 A 89 89 SER HA H 89 5.120 4.770 0.350 1 1 1156 . 2 1 1 A 89 89 SER C C 89 172.400 173.670 -1.270 1 1 1157 . 2 1 1 A 89 89 SER CA C 89 58.100 58.568 -0.468 1 1 1158 . 2 1 1 A 89 89 SER CB C 89 64.000 65.192 -1.192 1 1 1159 . 2 1 1 A 89 89 SER N N 89 117.500 116.414 1.086 1 1 1160 . 2 1 1 A 90 90 SER H H 90 8.200 8.702 -0.502 1 1 1161 . 2 1 1 A 90 90 SER HA H 90 4.680 5.287 -0.607 1 1 1164 . 2 1 1 A 90 90 SER C C 90 172.400 173.306 -0.906 1 1 1165 . 2 1 1 A 90 90 SER CA C 90 57.700 56.728 0.972 1 1 1166 . 2 1 1 A 90 90 SER CB C 90 65.700 66.791 -1.091 1 1 1167 . 2 1 1 A 90 90 SER N N 90 113.200 114.511 -1.311 1 1 1168 . 2 1 1 A 91 91 ILE H H 91 8.640 8.717 -0.077 1 1 1169 . 2 1 1 A 91 91 ILE HA H 91 5.030 5.208 -0.178 1 1 1179 . 2 1 1 A 91 91 ILE C C 91 175.300 174.299 1.001 1 1 1180 . 2 1 1 A 91 91 ILE CA C 91 60.200 60.496 -0.296 1 1 1181 . 2 1 1 A 91 91 ILE CB C 91 42.200 41.933 0.267 1 1 1185 . 2 1 1 A 91 91 ILE N N 91 119.700 121.723 -2.023 1 1 1186 . 2 1 1 A 92 92 GLU H H 92 8.810 8.929 -0.119 1 1 1187 . 2 1 1 A 92 92 GLU HA H 92 4.710 5.212 -0.502 1 1 1192 . 2 1 1 A 92 92 GLU C C 92 174.700 175.170 -0.470 1 1 1193 . 2 1 1 A 92 92 GLU CA C 92 54.600 54.651 -0.051 1 1 1194 . 2 1 1 A 92 92 GLU CB C 92 33.300 33.427 -0.127 1 1 1196 . 2 1 1 A 92 92 GLU N N 92 125.900 127.922 -2.022 1 1 1197 . 2 1 1 A 93 93 LYS H H 93 9.080 8.762 0.318 1 1 1198 . 2 1 1 A 93 93 LYS HA H 93 4.100 4.148 -0.048 1 1 1207 . 2 1 1 A 93 93 LYS C C 93 176.400 175.897 0.503 1 1 1208 . 2 1 1 A 93 93 LYS CA C 93 57.500 57.027 0.473 1 1 1209 . 2 1 1 A 93 93 LYS CB C 93 32.900 33.039 -0.139 1 1 1213 . 2 1 1 A 93 93 LYS N N 93 127.600 127.155 0.445 1 1 1214 . 2 1 1 A 94 94 LEU H H 94 8.410 8.163 0.247 1 1 1215 . 2 1 1 A 94 94 LEU HA H 94 4.480 4.415 0.065 1 1 1224 . 2 1 1 A 94 94 LEU C C 94 177.300 176.775 0.525 1 1 1225 . 2 1 1 A 94 94 LEU CA C 94 53.900 54.723 -0.823 1 1 1226 . 2 1 1 A 94 94 LEU CB C 94 42.900 42.819 0.081 1 1 1230 . 2 1 1 A 94 94 LEU N N 94 127.300 127.756 -0.456 1 1 1231 . 2 1 1 A 95 95 SER H H 95 8.630 8.044 0.586 1 1 1232 . 2 1 1 A 95 95 SER HA H 95 4.350 3.982 0.368 1 1 1235 . 2 1 1 A 95 95 SER C C 95 173.800 173.545 0.255 1 1 1236 . 2 1 1 A 95 95 SER CA C 95 58.900 59.538 -0.638 1 1 1237 . 2 1 1 A 95 95 SER CB C 95 63.400 62.672 0.728 1 1 1238 . 2 1 1 A 95 95 SER N N 95 115.700 114.820 0.880 1 1 1239 . 2 1 1 A 96 96 GLU H H 96 7.230 7.365 -0.135 1 1 1240 . 2 1 1 A 96 96 GLU HA H 96 4.750 4.731 0.019 1 1 1245 . 2 1 1 A 96 96 GLU CA C 96 53.000 53.172 -0.172 1 1 1246 . 2 1 1 A 96 96 GLU CB C 96 30.700 31.512 -0.812 1 1 1248 . 2 1 1 A 96 96 GLU N N 96 121.600 121.352 0.248 1 1 1249 . 2 1 1 A 97 97 PRO HA H 97 4.250 4.790 -0.540 1 1 1256 . 2 1 1 A 97 97 PRO CA C 97 62.400 62.237 0.163 1 1 1257 . 2 1 1 A 97 97 PRO CB C 97 32.600 32.564 0.036 1 1 1260 . 2 1 1 A 98 98 ILE H H 98 7.920 8.548 -0.628 1 1 1261 . 2 1 1 A 98 98 ILE HA H 98 4.070 4.799 -0.729 1 1 1271 . 2 1 1 A 98 98 ILE C C 98 175.400 174.458 0.942 1 1 1272 . 2 1 1 A 98 98 ILE CA C 98 59.300 59.573 -0.273 1 1 1273 . 2 1 1 A 98 98 ILE CB C 98 38.300 40.433 -2.133 1 1 1277 . 2 1 1 A 98 98 ILE N N 98 122.700 121.761 0.939 1 1 1278 . 2 1 1 A 99 99 GLU H H 99 8.550 8.745 -0.195 1 1 1279 . 2 1 1 A 99 99 GLU HA H 99 4.260 4.479 -0.219 1 1 1284 . 2 1 1 A 99 99 GLU C C 99 175.100 177.401 -2.301 1 1 1285 . 2 1 1 A 99 99 GLU CA C 99 55.500 55.699 -0.199 1 1 1286 . 2 1 1 A 99 99 GLU CB C 99 30.000 29.872 0.128 1 1 1288 . 2 1 1 A 99 99 GLU N N 99 127.900 127.119 0.781 1 1 1289 . 2 1 1 A 100 100 VAL H H 100 7.970 8.554 -0.584 1 1 1290 . 2 1 1 A 100 100 VAL HA H 100 3.980 4.179 -0.199 1 1 1298 . 2 1 1 A 100 100 VAL C C 100 176.700 176.413 0.287 1 1 1299 . 2 1 1 A 100 100 VAL CA C 100 61.000 62.665 -1.665 1 1 1300 . 2 1 1 A 100 100 VAL CB C 100 33.000 32.037 0.963 1 1 1303 . 2 1 1 A 100 100 VAL N N 100 121.100 121.376 -0.276 1 1 1304 . 2 1 1 A 101 101 GLY H H 101 8.520 7.858 0.662 1 1 1305 . 2 1 1 A 101 101 GLY HA2 H 101 3.830 3.961 -0.131 1 1 1306 . 2 1 1 A 101 101 GLY HA3 H 101 3.980 3.988 -0.008 1 1 1307 . 2 1 1 A 101 101 GLY C C 101 174.200 172.347 1.853 1 1 1308 . 2 1 1 A 101 101 GLY CA C 101 45.800 45.495 0.305 1 1 1309 . 2 1 1 A 101 101 GLY N N 101 114.000 110.554 3.446 1 1 1310 . 2 1 1 A 102 102 LEU H H 102 8.100 8.775 -0.675 1 1 1311 . 2 1 1 A 102 102 LEU HA H 102 4.170 4.795 -0.625 1 1 1320 . 2 1 1 A 102 102 LEU C C 102 177.700 176.183 1.517 1 1 1321 . 2 1 1 A 102 102 LEU CA C 102 55.500 53.645 1.855 1 1 1322 . 2 1 1 A 102 102 LEU CB C 102 42.600 43.534 -0.934 1 1 1326 . 2 1 1 A 102 102 LEU N N 102 121.000 126.132 -5.132 1 1 1327 . 2 1 1 A 103 103 GLU H H 103 8.420 9.111 -0.691 1 1 1328 . 2 1 1 A 103 103 GLU HA H 103 4.090 3.903 0.187 1 1 1333 . 2 1 1 A 103 103 GLU C C 103 176.400 174.847 1.553 1 1 1334 . 2 1 1 A 103 103 GLU CA C 103 57.100 57.196 -0.096 1 1 1335 . 2 1 1 A 103 103 GLU CB C 103 29.900 28.477 1.423 1 1 1337 . 2 1 1 A 103 103 GLU N N 103 120.000 126.080 -6.080 1 1 1338 . 2 1 1 A 104 104 HIS H H 104 8.180 7.891 0.289 1 1 1339 . 2 1 1 A 104 104 HIS HA H 104 4.580 5.421 -0.841 1 1 1342 . 2 1 1 A 104 104 HIS C C 104 173.800 174.509 -0.709 1 1 1343 . 2 1 1 A 104 104 HIS CA C 104 55.700 54.217 1.483 1 1 1344 . 2 1 1 A 104 104 HIS CB C 104 30.000 32.832 -2.832 1 1 1345 . 2 1 1 A 104 104 HIS N N 104 119.000 119.799 -0.799 1 1 1346 . 2 1 1 A 105 105 HIS H H 105 8.160 8.279 -0.119 1 1 1347 . 2 1 1 A 105 105 HIS HA H 105 4.380 4.837 -0.457 1 1 1350 . 2 1 1 A 105 105 HIS CA C 105 57.200 54.871 2.329 1 1 1351 . 2 1 1 A 105 105 HIS CB C 105 30.000 29.402 0.598 1 1 1 . 3 1 1 A 3 3 PRO HA H 3 4.430 4.521 -0.091 1 1 8 . 3 1 1 A 3 3 PRO C C 3 175.600 176.201 -0.601 1 1 9 . 3 1 1 A 3 3 PRO CA C 3 62.510 62.542 -0.032 1 1 10 . 3 1 1 A 3 3 PRO CB C 3 32.000 31.979 0.021 1 1 13 . 3 1 1 A 4 4 GLN H H 4 8.580 8.472 0.108 1 1 14 . 3 1 1 A 4 4 GLN HA H 4 4.260 4.615 -0.355 1 1 21 . 3 1 1 A 4 4 GLN C C 4 176.900 174.954 1.946 1 1 22 . 3 1 1 A 4 4 GLN CA C 4 55.700 56.084 -0.384 1 1 23 . 3 1 1 A 4 4 GLN CB C 4 29.200 29.245 -0.045 1 1 25 . 3 1 1 A 4 4 GLN N N 4 120.000 121.153 -1.153 1 1 27 . 3 1 1 A 5 5 LEU H H 5 8.920 9.065 -0.145 1 1 28 . 3 1 1 A 5 5 LEU HA H 5 4.660 4.988 -0.328 1 1 38 . 3 1 1 A 5 5 LEU C C 5 176.900 176.215 0.685 1 1 39 . 3 1 1 A 5 5 LEU CA C 5 54.700 53.892 0.808 1 1 40 . 3 1 1 A 5 5 LEU CB C 5 43.000 43.617 -0.617 1 1 44 . 3 1 1 A 5 5 LEU N N 5 128.500 126.788 1.712 1 1 45 . 3 1 1 A 6 6 THR H H 6 8.750 8.902 -0.152 1 1 46 . 3 1 1 A 6 6 THR HA H 6 4.530 4.991 -0.461 1 1 51 . 3 1 1 A 6 6 THR C C 6 173.700 173.571 0.129 1 1 52 . 3 1 1 A 6 6 THR CA C 6 61.600 61.157 0.443 1 1 53 . 3 1 1 A 6 6 THR CB C 6 72.000 71.658 0.342 1 1 55 . 3 1 1 A 6 6 THR N N 6 121.000 121.300 -0.300 1 1 56 . 3 1 1 A 7 7 LYS H H 7 9.080 8.885 0.195 1 1 57 . 3 1 1 A 7 7 LYS HA H 7 4.430 4.491 -0.061 1 1 66 . 3 1 1 A 7 7 LYS C C 7 178.600 178.223 0.377 1 1 67 . 3 1 1 A 7 7 LYS CA C 7 54.300 54.961 -0.661 1 1 68 . 3 1 1 A 7 7 LYS CB C 7 32.300 33.874 -1.574 1 1 72 . 3 1 1 A 7 7 LYS N N 7 126.300 124.466 1.834 1 1 73 . 3 1 1 A 8 8 ILE H H 8 9.870 8.811 1.059 1 1 74 . 3 1 1 A 8 8 ILE HA H 8 3.240 3.736 -0.496 1 1 82 . 3 1 1 A 8 8 ILE C C 8 178.700 177.927 0.773 1 1 83 . 3 1 1 A 8 8 ILE CA C 8 66.800 65.306 1.494 1 1 84 . 3 1 1 A 8 8 ILE CB C 8 36.400 37.456 -1.056 1 1 87 . 3 1 1 A 8 8 ILE N N 8 124.700 122.312 2.388 1 1 88 . 3 1 1 A 9 9 VAL H H 9 8.340 8.042 0.298 1 1 89 . 3 1 1 A 9 9 VAL HA H 9 3.930 3.866 0.064 1 1 97 . 3 1 1 A 9 9 VAL C C 9 178.700 176.244 2.456 1 1 98 . 3 1 1 A 9 9 VAL CA C 9 63.300 64.107 -0.807 1 1 99 . 3 1 1 A 9 9 VAL CB C 9 31.700 31.445 0.255 1 1 102 . 3 1 1 A 9 9 VAL N N 9 119.500 120.259 -0.759 1 1 103 . 3 1 1 A 10 10 ASP H H 10 7.510 7.994 -0.484 1 1 104 . 3 1 1 A 10 10 ASP HA H 10 4.730 4.628 0.102 1 1 107 . 3 1 1 A 10 10 ASP C C 10 174.500 175.552 -1.052 1 1 108 . 3 1 1 A 10 10 ASP CA C 10 54.400 53.941 0.459 1 1 109 . 3 1 1 A 10 10 ASP CB C 10 41.100 41.466 -0.366 1 1 110 . 3 1 1 A 10 10 ASP N N 10 119.100 119.337 -0.237 1 1 111 . 3 1 1 A 11 11 ILE H H 11 7.460 7.581 -0.121 1 1 112 . 3 1 1 A 11 11 ILE HA H 11 3.800 4.118 -0.318 1 1 122 . 3 1 1 A 11 11 ILE C C 11 174.900 176.595 -1.695 1 1 123 . 3 1 1 A 11 11 ILE CA C 11 62.100 60.995 1.105 1 1 124 . 3 1 1 A 11 11 ILE CB C 11 35.300 38.197 -2.897 1 1 128 . 3 1 1 A 11 11 ILE N N 11 124.200 120.878 3.322 1 1 129 . 3 1 1 A 12 12 VAL H H 12 8.530 8.769 -0.239 1 1 130 . 3 1 1 A 12 12 VAL HA H 12 4.260 4.428 -0.168 1 1 138 . 3 1 1 A 12 12 VAL C C 12 174.900 175.236 -0.336 1 1 139 . 3 1 1 A 12 12 VAL CA C 12 60.600 61.144 -0.544 1 1 140 . 3 1 1 A 12 12 VAL CB C 12 35.400 33.785 1.615 1 1 143 . 3 1 1 A 12 12 VAL N N 12 118.400 119.098 -0.698 1 1 144 . 3 1 1 A 13 13 GLU H H 13 7.430 7.580 -0.150 1 1 145 . 3 1 1 A 13 13 GLU HA H 13 4.590 5.034 -0.444 1 1 150 . 3 1 1 A 13 13 GLU C C 13 173.800 174.275 -0.475 1 1 151 . 3 1 1 A 13 13 GLU CA C 13 54.800 55.334 -0.534 1 1 152 . 3 1 1 A 13 13 GLU CB C 13 33.160 33.255 -0.095 1 1 154 . 3 1 1 A 13 13 GLU N N 13 120.100 122.672 -2.572 1 1 155 . 3 1 1 A 14 14 ASN H H 14 8.800 8.753 0.047 1 1 156 . 3 1 1 A 14 14 ASN HA H 14 4.110 5.063 -0.953 1 1 161 . 3 1 1 A 14 14 ASN C C 14 176.600 175.702 0.898 1 1 162 . 3 1 1 A 14 14 ASN CA C 14 54.600 52.223 2.377 1 1 163 . 3 1 1 A 14 14 ASN CB C 14 38.900 39.855 -0.955 1 1 164 . 3 1 1 A 14 14 ASN N N 14 121.500 123.165 -1.665 1 1 166 . 3 1 1 A 15 15 GLY H H 15 8.620 9.135 -0.515 1 1 167 . 3 1 1 A 15 15 GLY HA2 H 15 3.460 3.736 -0.276 1 1 168 . 3 1 1 A 15 15 GLY HA3 H 15 4.110 3.831 0.279 1 1 169 . 3 1 1 A 15 15 GLY C C 15 173.100 173.749 -0.649 1 1 170 . 3 1 1 A 15 15 GLY CA C 15 45.300 45.607 -0.307 1 1 171 . 3 1 1 A 15 15 GLY N N 15 114.900 110.530 4.370 1 1 172 . 3 1 1 A 16 16 GLN H H 16 7.280 7.809 -0.529 1 1 173 . 3 1 1 A 16 16 GLN HA H 16 4.160 4.460 -0.300 1 1 180 . 3 1 1 A 16 16 GLN C C 16 174.400 174.442 -0.042 1 1 181 . 3 1 1 A 16 16 GLN CA C 16 56.300 55.064 1.236 1 1 182 . 3 1 1 A 16 16 GLN CB C 16 30.300 30.268 0.032 1 1 184 . 3 1 1 A 16 16 GLN N N 16 121.500 119.168 2.332 1 1 186 . 3 1 1 A 17 17 TRP H H 17 8.640 8.897 -0.257 1 1 187 . 3 1 1 A 17 17 TRP HA H 17 5.400 5.628 -0.228 1 1 196 . 3 1 1 A 17 17 TRP C C 17 176.900 175.991 0.909 1 1 197 . 3 1 1 A 17 17 TRP CA C 17 56.400 56.154 0.246 1 1 198 . 3 1 1 A 17 17 TRP CB C 17 30.300 31.236 -0.936 1 1 204 . 3 1 1 A 17 17 TRP N N 17 125.500 121.601 3.899 1 1 206 . 3 1 1 A 18 18 ALA H H 18 9.020 8.683 0.337 1 1 207 . 3 1 1 A 18 18 ALA HA H 18 4.650 4.886 -0.236 1 1 211 . 3 1 1 A 18 18 ALA C C 18 174.100 175.077 -0.977 1 1 212 . 3 1 1 A 18 18 ALA CA C 18 51.430 51.295 0.135 1 1 213 . 3 1 1 A 18 18 ALA CB C 18 22.600 23.220 -0.620 1 1 214 . 3 1 1 A 18 18 ALA N N 18 124.000 122.416 1.584 1 1 215 . 3 1 1 A 19 19 ASN H H 19 8.250 8.387 -0.137 1 1 216 . 3 1 1 A 19 19 ASN HA H 19 5.710 5.758 -0.048 1 1 221 . 3 1 1 A 19 19 ASN C C 19 173.500 173.385 0.115 1 1 222 . 3 1 1 A 19 19 ASN CA C 19 51.600 51.886 -0.286 1 1 223 . 3 1 1 A 19 19 ASN CB C 19 40.100 42.456 -2.356 1 1 224 . 3 1 1 A 19 19 ASN N N 19 116.500 117.347 -0.847 1 1 226 . 3 1 1 A 20 20 LEU H H 20 9.280 8.611 0.669 1 1 227 . 3 1 1 A 20 20 LEU HA H 20 4.930 4.993 -0.063 1 1 236 . 3 1 1 A 20 20 LEU C C 20 174.800 173.974 0.826 1 1 237 . 3 1 1 A 20 20 LEU CA C 20 54.200 54.275 -0.075 1 1 238 . 3 1 1 A 20 20 LEU CB C 20 46.300 46.020 0.280 1 1 241 . 3 1 1 A 20 20 LEU N N 20 121.800 124.765 -2.965 1 1 242 . 3 1 1 A 21 21 LYS H H 21 8.550 9.032 -0.482 1 1 243 . 3 1 1 A 21 21 LYS HA H 21 5.450 5.256 0.194 1 1 252 . 3 1 1 A 21 21 LYS C C 21 174.800 175.131 -0.331 1 1 253 . 3 1 1 A 21 21 LYS CA C 21 55.350 54.821 0.529 1 1 254 . 3 1 1 A 21 21 LYS CB C 21 34.300 35.043 -0.743 1 1 258 . 3 1 1 A 21 21 LYS N N 21 122.500 127.778 -5.278 1 1 259 . 3 1 1 A 22 22 ALA H H 22 9.090 8.440 0.650 1 1 260 . 3 1 1 A 22 22 ALA HA H 22 4.830 4.774 0.056 1 1 264 . 3 1 1 A 22 22 ALA C C 22 173.800 175.696 -1.896 1 1 265 . 3 1 1 A 22 22 ALA CA C 22 51.300 51.327 -0.027 1 1 266 . 3 1 1 A 22 22 ALA CB C 22 24.700 22.804 1.896 1 1 267 . 3 1 1 A 22 22 ALA N N 22 123.200 126.778 -3.578 1 1 268 . 3 1 1 A 23 23 LYS H H 23 9.190 8.270 0.920 1 1 269 . 3 1 1 A 23 23 LYS HA H 23 5.080 5.215 -0.135 1 1 276 . 3 1 1 A 23 23 LYS C C 23 176.900 175.227 1.673 1 1 277 . 3 1 1 A 23 23 LYS CA C 23 54.100 54.688 -0.588 1 1 278 . 3 1 1 A 23 23 LYS CB C 23 35.800 35.903 -0.103 1 1 281 . 3 1 1 A 23 23 LYS N N 23 121.100 114.983 6.117 1 1 282 . 3 1 1 A 24 24 VAL H H 24 8.620 8.689 -0.069 1 1 283 . 3 1 1 A 24 24 VAL HA H 24 4.110 4.352 -0.242 1 1 291 . 3 1 1 A 24 24 VAL C C 24 175.800 175.681 0.119 1 1 292 . 3 1 1 A 24 24 VAL CA C 24 62.750 62.897 -0.147 1 1 293 . 3 1 1 A 24 24 VAL CB C 24 30.500 31.555 -1.055 1 1 296 . 3 1 1 A 24 24 VAL N N 24 125.600 122.530 3.070 1 1 297 . 3 1 1 A 25 25 ILE H H 25 8.430 8.775 -0.345 1 1 298 . 3 1 1 A 25 25 ILE HA H 25 4.210 4.063 0.147 1 1 308 . 3 1 1 A 25 25 ILE C C 25 176.700 176.102 0.598 1 1 309 . 3 1 1 A 25 25 ILE CA C 25 62.100 63.054 -0.954 1 1 310 . 3 1 1 A 25 25 ILE CB C 25 38.300 38.678 -0.378 1 1 314 . 3 1 1 A 25 25 ILE N N 25 127.400 128.875 -1.475 1 1 315 . 3 1 1 A 26 26 GLN H H 26 7.590 7.611 -0.021 1 1 316 . 3 1 1 A 26 26 GLN HA H 26 4.560 4.680 -0.120 1 1 323 . 3 1 1 A 26 26 GLN C C 26 173.700 173.872 -0.172 1 1 324 . 3 1 1 A 26 26 GLN CA C 26 55.400 55.424 -0.024 1 1 325 . 3 1 1 A 26 26 GLN CB C 26 34.100 31.995 2.105 1 1 327 . 3 1 1 A 26 26 GLN N N 26 117.100 118.145 -1.045 1 1 329 . 3 1 1 A 27 27 LEU H H 27 8.470 8.660 -0.190 1 1 330 . 3 1 1 A 27 27 LEU HA H 27 4.710 4.962 -0.252 1 1 340 . 3 1 1 A 27 27 LEU C C 27 176.200 175.583 0.617 1 1 341 . 3 1 1 A 27 27 LEU CA C 27 54.100 53.633 0.467 1 1 342 . 3 1 1 A 27 27 LEU CB C 27 44.000 46.680 -2.680 1 1 346 . 3 1 1 A 27 27 LEU N N 27 123.600 122.135 1.465 1 1 347 . 3 1 1 A 28 28 TRP H H 28 8.850 8.719 0.131 1 1 348 . 3 1 1 A 28 28 TRP HA H 28 5.180 5.189 -0.009 1 1 357 . 3 1 1 A 28 28 TRP C C 28 175.900 174.385 1.515 1 1 358 . 3 1 1 A 28 28 TRP CA C 28 53.300 55.559 -2.259 1 1 359 . 3 1 1 A 28 28 TRP CB C 28 31.400 31.765 -0.365 1 1 365 . 3 1 1 A 28 28 TRP N N 28 123.900 125.159 -1.259 1 1 367 . 3 1 1 A 29 29 GLU H H 29 8.620 8.524 0.096 1 1 368 . 3 1 1 A 29 29 GLU HA H 29 4.250 4.445 -0.195 1 1 373 . 3 1 1 A 29 29 GLU C C 29 175.700 175.822 -0.122 1 1 374 . 3 1 1 A 29 29 GLU CA C 29 56.800 56.522 0.278 1 1 375 . 3 1 1 A 29 29 GLU CB C 29 30.000 29.952 0.048 1 1 377 . 3 1 1 A 29 29 GLU N N 29 120.700 129.488 -8.788 1 1 378 . 3 1 1 A 30 30 ASN H H 30 8.720 8.064 0.656 1 1 379 . 3 1 1 A 30 30 ASN HA H 30 4.870 4.552 0.318 1 1 384 . 3 1 1 A 30 30 ASN C C 30 174.800 175.433 -0.633 1 1 385 . 3 1 1 A 30 30 ASN CA C 30 53.800 51.298 2.502 1 1 386 . 3 1 1 A 30 30 ASN CB C 30 41.200 39.352 1.848 1 1 387 . 3 1 1 A 30 30 ASN N N 30 121.400 124.553 -3.153 1 1 389 . 3 1 1 A 31 31 THR H H 31 8.300 8.337 -0.037 1 1 390 . 3 1 1 A 31 31 THR HA H 31 4.430 4.528 -0.098 1 1 395 . 3 1 1 A 31 31 THR C C 31 174.200 173.953 0.247 1 1 396 . 3 1 1 A 31 31 THR CA C 31 61.000 60.916 0.084 1 1 397 . 3 1 1 A 31 31 THR CB C 31 69.600 70.238 -0.638 1 1 399 . 3 1 1 A 31 31 THR N N 31 114.200 110.824 3.376 1 1 400 . 3 1 1 A 32 32 HIS H H 32 7.840 7.575 0.265 1 1 401 . 3 1 1 A 32 32 HIS HA H 32 4.560 4.781 -0.221 1 1 405 . 3 1 1 A 32 32 HIS C C 32 177.300 176.221 1.079 1 1 406 . 3 1 1 A 32 32 HIS CA C 32 57.600 55.927 1.673 1 1 407 . 3 1 1 A 32 32 HIS CB C 32 32.000 31.918 0.082 1 1 409 . 3 1 1 A 32 32 HIS N N 32 122.500 120.691 1.809 1 1 410 . 3 1 1 A 33 33 GLU H H 33 9.020 9.155 -0.135 1 1 411 . 3 1 1 A 33 33 GLU HA H 33 4.120 4.235 -0.115 1 1 416 . 3 1 1 A 33 33 GLU C C 33 177.100 177.136 -0.036 1 1 417 . 3 1 1 A 33 33 GLU CA C 33 59.000 58.611 0.389 1 1 418 . 3 1 1 A 33 33 GLU CB C 33 29.400 30.199 -0.799 1 1 420 . 3 1 1 A 33 33 GLU N N 33 127.300 121.922 5.378 1 1 421 . 3 1 1 A 34 34 SER H H 34 9.430 8.017 1.413 1 1 422 . 3 1 1 A 34 34 SER HA H 34 4.580 4.731 -0.151 1 1 425 . 3 1 1 A 34 34 SER C C 34 174.800 173.713 1.087 1 1 426 . 3 1 1 A 34 34 SER CA C 34 59.500 58.129 1.371 1 1 427 . 3 1 1 A 34 34 SER CB C 34 63.600 61.158 2.442 1 1 428 . 3 1 1 A 34 34 SER N N 34 113.400 113.222 0.178 1 1 429 . 3 1 1 A 35 35 ILE H H 35 7.920 8.652 -0.732 1 1 430 . 3 1 1 A 35 35 ILE HA H 35 4.080 4.202 -0.122 1 1 440 . 3 1 1 A 35 35 ILE C C 35 174.300 175.726 -1.426 1 1 441 . 3 1 1 A 35 35 ILE CA C 35 61.600 60.931 0.669 1 1 442 . 3 1 1 A 35 35 ILE CB C 35 40.700 40.986 -0.286 1 1 446 . 3 1 1 A 35 35 ILE N N 35 125.800 123.145 2.655 1 1 447 . 3 1 1 A 36 36 SER H H 36 9.010 8.804 0.206 1 1 448 . 3 1 1 A 36 36 SER HA H 36 4.480 4.543 -0.063 1 1 451 . 3 1 1 A 36 36 SER C C 36 174.900 172.837 2.063 1 1 452 . 3 1 1 A 36 36 SER CA C 36 58.800 60.195 -1.395 1 1 453 . 3 1 1 A 36 36 SER CB C 36 64.300 63.677 0.623 1 1 454 . 3 1 1 A 36 36 SER N N 36 119.100 122.426 -3.326 1 1 455 . 3 1 1 A 37 37 GLN H H 37 7.390 7.183 0.207 1 1 456 . 3 1 1 A 37 37 GLN HA H 37 4.690 4.950 -0.260 1 1 463 . 3 1 1 A 37 37 GLN C C 37 171.800 174.230 -2.430 1 1 464 . 3 1 1 A 37 37 GLN CA C 37 54.900 55.017 -0.117 1 1 465 . 3 1 1 A 37 37 GLN CB C 37 36.200 33.030 3.170 1 1 466 . 3 1 1 A 37 37 GLN N N 37 116.500 117.428 -0.928 1 1 468 . 3 1 1 A 38 38 VAL H H 38 8.640 8.201 0.439 1 1 469 . 3 1 1 A 38 38 VAL HA H 38 4.160 4.692 -0.532 1 1 477 . 3 1 1 A 38 38 VAL C C 38 172.400 175.249 -2.849 1 1 478 . 3 1 1 A 38 38 VAL CA C 38 58.500 60.498 -1.998 1 1 479 . 3 1 1 A 38 38 VAL CB C 38 35.300 34.541 0.759 1 1 482 . 3 1 1 A 38 38 VAL N N 38 120.400 121.820 -1.420 1 1 483 . 3 1 1 A 39 39 GLY H H 39 6.440 7.123 -0.683 1 1 484 . 3 1 1 A 39 39 GLY HA2 H 39 3.690 4.154 -0.464 1 1 485 . 3 1 1 A 39 39 GLY HA3 H 39 1.940 4.208 -2.268 1 1 486 . 3 1 1 A 39 39 GLY C C 39 170.600 171.701 -1.101 1 1 487 . 3 1 1 A 39 39 GLY CA C 39 45.300 45.401 -0.101 1 1 488 . 3 1 1 A 39 39 GLY N N 39 109.600 112.098 -2.498 1 1 489 . 3 1 1 A 40 40 LEU H H 40 8.380 8.262 0.118 1 1 490 . 3 1 1 A 40 40 LEU HA H 40 4.980 5.477 -0.497 1 1 499 . 3 1 1 A 40 40 LEU C C 40 176.000 175.777 0.223 1 1 500 . 3 1 1 A 40 40 LEU CA C 40 53.200 53.305 -0.105 1 1 501 . 3 1 1 A 40 40 LEU CB C 40 47.400 45.642 1.758 1 1 504 . 3 1 1 A 40 40 LEU N N 40 119.500 121.691 -2.191 1 1 505 . 3 1 1 A 41 41 LEU H H 41 9.410 9.257 0.153 1 1 506 . 3 1 1 A 41 41 LEU HA H 41 5.320 5.245 0.075 1 1 516 . 3 1 1 A 41 41 LEU C C 41 176.700 175.710 0.990 1 1 517 . 3 1 1 A 41 41 LEU CA C 41 52.400 53.084 -0.684 1 1 518 . 3 1 1 A 41 41 LEU CB C 41 44.900 43.610 1.290 1 1 522 . 3 1 1 A 41 41 LEU N N 41 122.700 122.623 0.077 1 1 523 . 3 1 1 A 42 42 GLY H H 42 9.210 9.891 -0.681 1 1 524 . 3 1 1 A 42 42 GLY HA2 H 42 3.550 4.099 -0.549 1 1 525 . 3 1 1 A 42 42 GLY HA3 H 42 5.350 4.106 1.244 1 1 526 . 3 1 1 A 42 42 GLY C C 42 171.200 173.056 -1.856 1 1 527 . 3 1 1 A 42 42 GLY CA C 42 45.700 45.507 0.193 1 1 528 . 3 1 1 A 42 42 GLY N N 42 104.600 112.508 -7.908 1 1 529 . 3 1 1 A 43 43 ASP H H 43 8.960 8.510 0.450 1 1 530 . 3 1 1 A 43 43 ASP HA H 43 4.640 5.030 -0.390 1 1 533 . 3 1 1 A 43 43 ASP C C 43 175.600 176.762 -1.162 1 1 534 . 3 1 1 A 43 43 ASP CA C 43 52.700 51.880 0.820 1 1 535 . 3 1 1 A 43 43 ASP CB C 43 41.600 42.440 -0.840 1 1 536 . 3 1 1 A 43 43 ASP N N 43 121.900 125.614 -3.714 1 1 537 . 3 1 1 A 44 44 GLU H H 44 10.150 9.053 1.097 1 1 538 . 3 1 1 A 44 44 GLU HA H 44 4.380 4.041 0.339 1 1 543 . 3 1 1 A 44 44 GLU C C 44 176.900 177.533 -0.633 1 1 544 . 3 1 1 A 44 44 GLU CA C 44 59.300 58.773 0.527 1 1 545 . 3 1 1 A 44 44 GLU CB C 44 28.100 29.655 -1.555 1 1 547 . 3 1 1 A 44 44 GLU N N 44 118.000 120.901 -2.901 1 1 548 . 3 1 1 A 45 45 THR H H 45 9.600 7.688 1.912 1 1 549 . 3 1 1 A 45 45 THR HA H 45 4.580 4.477 0.103 1 1 554 . 3 1 1 A 45 45 THR C C 45 174.800 173.877 0.923 1 1 555 . 3 1 1 A 45 45 THR CA C 45 61.700 62.158 -0.458 1 1 556 . 3 1 1 A 45 45 THR CB C 45 70.000 69.330 0.670 1 1 558 . 3 1 1 A 45 45 THR N N 45 112.000 109.031 2.969 1 1 559 . 3 1 1 A 46 46 GLY H H 46 7.640 7.431 0.209 1 1 560 . 3 1 1 A 46 46 GLY HA2 H 46 3.830 4.141 -0.311 1 1 561 . 3 1 1 A 46 46 GLY HA3 H 46 4.000 4.145 -0.145 1 1 562 . 3 1 1 A 46 46 GLY C C 46 169.400 171.443 -2.043 1 1 563 . 3 1 1 A 46 46 GLY CA C 46 46.000 45.036 0.964 1 1 564 . 3 1 1 A 46 46 GLY N N 46 110.600 108.036 2.564 1 1 565 . 3 1 1 A 47 47 ILE H H 47 8.000 8.525 -0.525 1 1 566 . 3 1 1 A 47 47 ILE HA H 47 5.450 5.335 0.115 1 1 576 . 3 1 1 A 47 47 ILE C C 47 175.200 174.315 0.885 1 1 577 . 3 1 1 A 47 47 ILE CA C 47 59.100 58.929 0.171 1 1 578 . 3 1 1 A 47 47 ILE CB C 47 42.400 42.602 -0.202 1 1 582 . 3 1 1 A 47 47 ILE N N 47 113.900 119.327 -5.427 1 1 583 . 3 1 1 A 48 48 ILE H H 48 9.340 8.324 1.016 1 1 584 . 3 1 1 A 48 48 ILE HA H 48 4.640 4.652 -0.012 1 1 594 . 3 1 1 A 48 48 ILE C C 48 171.500 174.103 -2.603 1 1 595 . 3 1 1 A 48 48 ILE CA C 48 60.600 59.364 1.236 1 1 596 . 3 1 1 A 48 48 ILE CB C 48 42.000 41.024 0.976 1 1 600 . 3 1 1 A 48 48 ILE N N 48 123.600 122.073 1.527 1 1 601 . 3 1 1 A 49 49 LYS H H 49 8.350 8.447 -0.097 1 1 602 . 3 1 1 A 49 49 LYS HA H 49 4.820 4.935 -0.115 1 1 611 . 3 1 1 A 49 49 LYS C C 49 174.700 176.302 -1.602 1 1 612 . 3 1 1 A 49 49 LYS CA C 49 56.400 55.306 1.094 1 1 613 . 3 1 1 A 49 49 LYS CB C 49 33.800 34.733 -0.933 1 1 617 . 3 1 1 A 49 49 LYS N N 49 129.100 124.863 4.237 1 1 618 . 3 1 1 A 50 50 PHE H H 50 8.570 8.217 0.353 1 1 619 . 3 1 1 A 50 50 PHE HA H 50 5.820 5.426 0.394 1 1 627 . 3 1 1 A 50 50 PHE C C 50 172.100 172.795 -0.695 1 1 628 . 3 1 1 A 50 50 PHE CA C 50 54.800 56.125 -1.325 1 1 629 . 3 1 1 A 50 50 PHE CB C 50 43.900 42.821 1.079 1 1 635 . 3 1 1 A 50 50 PHE N N 50 122.700 117.913 4.787 1 1 636 . 3 1 1 A 51 51 THR H H 51 8.190 8.604 -0.414 1 1 637 . 3 1 1 A 51 51 THR HA H 51 4.320 4.898 -0.578 1 1 642 . 3 1 1 A 51 51 THR C C 51 172.900 172.918 -0.018 1 1 643 . 3 1 1 A 51 51 THR CA C 51 61.700 61.088 0.612 1 1 644 . 3 1 1 A 51 51 THR CB C 51 72.500 71.473 1.027 1 1 646 . 3 1 1 A 51 51 THR N N 51 114.400 114.363 0.037 1 1 647 . 3 1 1 A 52 52 ILE H H 52 8.880 9.040 -0.160 1 1 648 . 3 1 1 A 52 52 ILE HA H 52 4.650 4.547 0.103 1 1 658 . 3 1 1 A 52 52 ILE C C 52 176.000 175.025 0.975 1 1 659 . 3 1 1 A 52 52 ILE CA C 52 60.500 60.278 0.222 1 1 660 . 3 1 1 A 52 52 ILE CB C 52 38.900 39.438 -0.538 1 1 664 . 3 1 1 A 52 52 ILE N N 52 123.400 126.509 -3.109 1 1 665 . 3 1 1 A 53 53 TRP H H 53 8.020 8.515 -0.495 1 1 666 . 3 1 1 A 53 53 TRP HA H 53 4.740 4.796 -0.056 1 1 675 . 3 1 1 A 53 53 TRP C C 53 177.500 177.266 0.234 1 1 676 . 3 1 1 A 53 53 TRP CA C 53 57.700 57.482 0.218 1 1 677 . 3 1 1 A 53 53 TRP CB C 53 30.400 30.146 0.254 1 1 683 . 3 1 1 A 53 53 TRP N N 53 129.500 128.913 0.587 1 1 685 . 3 1 1 A 54 54 LYS H H 54 8.980 9.047 -0.067 1 1 686 . 3 1 1 A 54 54 LYS HA H 54 4.100 4.014 0.086 1 1 695 . 3 1 1 A 54 54 LYS C C 54 177.700 178.044 -0.344 1 1 696 . 3 1 1 A 54 54 LYS CA C 54 59.400 59.735 -0.335 1 1 697 . 3 1 1 A 54 54 LYS CB C 54 32.400 32.180 0.220 1 1 701 . 3 1 1 A 54 54 LYS N N 54 125.500 125.590 -0.090 1 1 702 . 3 1 1 A 55 55 ASN H H 55 8.600 8.490 0.110 1 1 703 . 3 1 1 A 55 55 ASN HA H 55 4.510 4.626 -0.116 1 1 708 . 3 1 1 A 55 55 ASN C C 55 175.300 176.604 -1.304 1 1 709 . 3 1 1 A 55 55 ASN CA C 55 53.700 55.335 -1.635 1 1 710 . 3 1 1 A 55 55 ASN CB C 55 37.100 38.535 -1.435 1 1 711 . 3 1 1 A 55 55 ASN N N 55 115.400 117.984 -2.584 1 1 713 . 3 1 1 A 56 56 ALA H H 56 7.630 7.755 -0.125 1 1 714 . 3 1 1 A 56 56 ALA HA H 56 3.970 4.384 -0.414 1 1 718 . 3 1 1 A 56 56 ALA C C 56 176.100 176.911 -0.811 1 1 719 . 3 1 1 A 56 56 ALA CA C 56 53.500 52.687 0.813 1 1 720 . 3 1 1 A 56 56 ALA CB C 56 18.400 19.610 -1.210 1 1 721 . 3 1 1 A 56 56 ALA N N 56 121.200 120.737 0.463 1 1 722 . 3 1 1 A 57 57 GLU H H 57 7.880 8.341 -0.461 1 1 723 . 3 1 1 A 57 57 GLU HA H 57 3.940 3.856 0.084 1 1 728 . 3 1 1 A 57 57 GLU C C 57 175.400 174.955 0.445 1 1 729 . 3 1 1 A 57 57 GLU CA C 57 56.700 57.450 -0.750 1 1 730 . 3 1 1 A 57 57 GLU CB C 57 27.300 27.294 0.006 1 1 732 . 3 1 1 A 57 57 GLU N N 57 112.500 115.150 -2.650 1 1 733 . 3 1 1 A 58 58 LEU H H 58 7.910 7.799 0.111 1 1 734 . 3 1 1 A 58 58 LEU HA H 58 4.740 4.814 -0.074 1 1 744 . 3 1 1 A 58 58 LEU C C 58 175.400 174.587 0.813 1 1 745 . 3 1 1 A 58 58 LEU CA C 58 52.300 51.812 0.488 1 1 746 . 3 1 1 A 58 58 LEU CB C 58 42.900 42.990 -0.090 1 1 750 . 3 1 1 A 58 58 LEU N N 58 120.000 120.175 -0.175 1 1 751 . 3 1 1 A 59 59 PRO HA H 59 4.380 4.563 -0.183 1 1 758 . 3 1 1 A 59 59 PRO CA C 59 62.200 62.498 -0.298 1 1 759 . 3 1 1 A 59 59 PRO CB C 59 32.000 32.208 -0.208 1 1 762 . 3 1 1 A 60 60 LEU H H 60 7.860 8.323 -0.463 1 1 763 . 3 1 1 A 60 60 LEU HA H 60 3.920 4.383 -0.463 1 1 773 . 3 1 1 A 60 60 LEU C C 60 178.300 177.121 1.179 1 1 774 . 3 1 1 A 60 60 LEU CA C 60 55.000 54.784 0.216 1 1 775 . 3 1 1 A 60 60 LEU CB C 60 41.800 42.402 -0.602 1 1 779 . 3 1 1 A 60 60 LEU N N 60 117.500 123.443 -5.943 1 1 780 . 3 1 1 A 61 61 LEU H H 61 9.680 8.338 1.342 1 1 781 . 3 1 1 A 61 61 LEU HA H 61 4.040 4.048 -0.008 1 1 791 . 3 1 1 A 61 61 LEU C C 61 177.300 176.437 0.863 1 1 792 . 3 1 1 A 61 61 LEU CA C 61 54.100 54.417 -0.317 1 1 793 . 3 1 1 A 61 61 LEU CB C 61 41.300 41.944 -0.644 1 1 797 . 3 1 1 A 61 61 LEU N N 61 122.300 124.804 -2.504 1 1 798 . 3 1 1 A 62 62 GLU H H 62 8.390 9.641 -1.251 1 1 799 . 3 1 1 A 62 62 GLU HA H 62 4.430 4.864 -0.434 1 1 804 . 3 1 1 A 62 62 GLU C C 62 175.600 176.392 -0.792 1 1 805 . 3 1 1 A 62 62 GLU CA C 62 54.800 54.670 0.130 1 1 806 . 3 1 1 A 62 62 GLU CB C 62 32.200 31.727 0.473 1 1 808 . 3 1 1 A 62 62 GLU N N 62 120.500 122.582 -2.082 1 1 809 . 3 1 1 A 63 63 GLN H H 63 8.780 8.840 -0.060 1 1 810 . 3 1 1 A 63 63 GLN HA H 63 3.700 4.022 -0.322 1 1 817 . 3 1 1 A 63 63 GLN C C 63 176.600 177.040 -0.440 1 1 818 . 3 1 1 A 63 63 GLN CA C 63 58.100 58.136 -0.036 1 1 819 . 3 1 1 A 63 63 GLN CB C 63 28.300 28.444 -0.144 1 1 821 . 3 1 1 A 63 63 GLN N N 63 123.300 126.211 -2.911 1 1 823 . 3 1 1 A 64 64 GLY H H 64 9.140 8.810 0.330 1 1 824 . 3 1 1 A 64 64 GLY HA2 H 64 3.580 4.048 -0.468 1 1 825 . 3 1 1 A 64 64 GLY HA3 H 64 4.390 4.071 0.319 1 1 826 . 3 1 1 A 64 64 GLY C C 64 173.900 173.628 0.272 1 1 827 . 3 1 1 A 64 64 GLY CA C 64 45.300 45.128 0.172 1 1 828 . 3 1 1 A 64 64 GLY N N 64 115.100 112.112 2.988 1 1 829 . 3 1 1 A 65 65 GLU H H 65 7.590 7.905 -0.315 1 1 830 . 3 1 1 A 65 65 GLU HA H 65 4.490 4.547 -0.057 1 1 835 . 3 1 1 A 65 65 GLU C C 65 174.200 176.326 -2.126 1 1 836 . 3 1 1 A 65 65 GLU CA C 65 54.900 55.497 -0.597 1 1 837 . 3 1 1 A 65 65 GLU CB C 65 30.500 31.306 -0.806 1 1 839 . 3 1 1 A 65 65 GLU N N 65 120.300 122.212 -1.912 1 1 840 . 3 1 1 A 66 66 SER H H 66 8.700 8.356 0.344 1 1 841 . 3 1 1 A 66 66 SER HA H 66 5.330 5.179 0.151 1 1 844 . 3 1 1 A 66 66 SER C C 66 174.100 173.284 0.816 1 1 845 . 3 1 1 A 66 66 SER CA C 66 58.300 56.979 1.321 1 1 846 . 3 1 1 A 66 66 SER CB C 66 65.500 64.652 0.848 1 1 847 . 3 1 1 A 66 66 SER N N 66 116.500 116.919 -0.419 1 1 848 . 3 1 1 A 67 67 TYR H H 67 9.090 9.398 -0.308 1 1 849 . 3 1 1 A 67 67 TYR HA H 67 5.110 5.172 -0.062 1 1 856 . 3 1 1 A 67 67 TYR C C 67 173.900 174.243 -0.343 1 1 857 . 3 1 1 A 67 67 TYR CA C 67 57.500 56.208 1.292 1 1 858 . 3 1 1 A 67 67 TYR CB C 67 43.900 42.135 1.765 1 1 863 . 3 1 1 A 67 67 TYR N N 67 119.000 122.379 -3.379 1 1 864 . 3 1 1 A 68 68 LEU H H 68 9.230 8.465 0.765 1 1 865 . 3 1 1 A 68 68 LEU HA H 68 5.000 5.173 -0.173 1 1 875 . 3 1 1 A 68 68 LEU C C 68 175.300 174.549 0.751 1 1 876 . 3 1 1 A 68 68 LEU CA C 68 54.300 53.764 0.536 1 1 877 . 3 1 1 A 68 68 LEU CB C 68 43.800 45.020 -1.220 1 1 881 . 3 1 1 A 68 68 LEU N N 68 121.800 124.470 -2.670 1 1 882 . 3 1 1 A 69 69 LEU H H 69 9.460 8.926 0.534 1 1 883 . 3 1 1 A 69 69 LEU HA H 69 5.010 5.051 -0.041 1 1 893 . 3 1 1 A 69 69 LEU C C 69 175.000 175.466 -0.466 1 1 894 . 3 1 1 A 69 69 LEU CA C 69 54.100 53.711 0.389 1 1 895 . 3 1 1 A 69 69 LEU CB C 69 42.300 43.061 -0.761 1 1 899 . 3 1 1 A 69 69 LEU N N 69 128.500 128.249 0.251 1 1 900 . 3 1 1 A 70 70 ARG H H 70 8.910 8.512 0.398 1 1 901 . 3 1 1 A 70 70 ARG HA H 70 4.850 4.788 0.062 1 1 909 . 3 1 1 A 70 70 ARG C C 70 176.400 176.625 -0.225 1 1 910 . 3 1 1 A 70 70 ARG CA C 70 54.900 54.768 0.132 1 1 911 . 3 1 1 A 70 70 ARG CB C 70 32.300 32.753 -0.453 1 1 914 . 3 1 1 A 70 70 ARG N N 70 121.500 124.153 -2.653 1 1 916 . 3 1 1 A 71 71 SER H H 71 8.800 9.047 -0.247 1 1 917 . 3 1 1 A 71 71 SER HA H 71 3.870 4.203 -0.333 1 1 920 . 3 1 1 A 71 71 SER C C 71 175.800 173.542 2.258 1 1 921 . 3 1 1 A 71 71 SER CA C 71 58.600 59.148 -0.548 1 1 922 . 3 1 1 A 71 71 SER CB C 71 62.000 61.708 0.292 1 1 923 . 3 1 1 A 71 71 SER N N 71 114.400 117.650 -3.250 1 1 924 . 3 1 1 A 72 72 VAL H H 72 8.750 7.591 1.159 1 1 925 . 3 1 1 A 72 72 VAL HA H 72 4.610 5.025 -0.415 1 1 933 . 3 1 1 A 72 72 VAL C C 72 173.300 174.033 -0.733 1 1 934 . 3 1 1 A 72 72 VAL CA C 72 59.300 59.572 -0.272 1 1 935 . 3 1 1 A 72 72 VAL CB C 72 31.900 34.423 -2.523 1 1 938 . 3 1 1 A 72 72 VAL N N 72 115.500 115.438 0.062 1 1 939 . 3 1 1 A 73 73 VAL H H 73 7.940 8.394 -0.454 1 1 940 . 3 1 1 A 73 73 VAL HA H 73 4.760 4.723 0.037 1 1 948 . 3 1 1 A 73 73 VAL C C 73 174.300 173.527 0.773 1 1 949 . 3 1 1 A 73 73 VAL CA C 73 58.800 59.276 -0.476 1 1 950 . 3 1 1 A 73 73 VAL CB C 73 34.500 34.552 -0.052 1 1 953 . 3 1 1 A 73 73 VAL N N 73 118.200 121.680 -3.480 1 1 954 . 3 1 1 A 74 74 VAL H H 74 8.430 8.107 0.323 1 1 955 . 3 1 1 A 74 74 VAL HA H 74 4.560 4.592 -0.032 1 1 963 . 3 1 1 A 74 74 VAL C C 74 177.300 175.744 1.556 1 1 964 . 3 1 1 A 74 74 VAL CA C 74 62.100 60.941 1.159 1 1 965 . 3 1 1 A 74 74 VAL CB C 74 32.700 32.332 0.368 1 1 968 . 3 1 1 A 74 74 VAL N N 74 127.800 127.642 0.158 1 1 969 . 3 1 1 A 75 75 GLY H H 75 9.040 8.759 0.281 1 1 970 . 3 1 1 A 75 75 GLY HA2 H 75 3.750 4.381 -0.631 1 1 971 . 3 1 1 A 75 75 GLY HA3 H 75 5.120 4.417 0.703 1 1 972 . 3 1 1 A 75 75 GLY C C 75 172.500 171.808 0.692 1 1 973 . 3 1 1 A 75 75 GLY CA C 75 43.700 44.135 -0.435 1 1 974 . 3 1 1 A 75 75 GLY N N 75 116.000 115.151 0.849 1 1 975 . 3 1 1 A 76 76 GLU H H 76 8.380 8.572 -0.192 1 1 976 . 3 1 1 A 76 76 GLU HA H 76 4.690 4.610 0.080 1 1 981 . 3 1 1 A 76 76 GLU C C 76 176.000 174.974 1.026 1 1 982 . 3 1 1 A 76 76 GLU CA C 76 56.100 55.810 0.290 1 1 983 . 3 1 1 A 76 76 GLU CB C 76 32.000 31.473 0.527 1 1 985 . 3 1 1 A 76 76 GLU N N 76 120.200 120.080 0.120 1 1 986 . 3 1 1 A 77 77 TYR H H 77 8.430 9.412 -0.982 1 1 987 . 3 1 1 A 77 77 TYR HA H 77 4.570 4.895 -0.325 1 1 994 . 3 1 1 A 77 77 TYR C C 77 174.200 174.863 -0.663 1 1 995 . 3 1 1 A 77 77 TYR CA C 77 56.500 57.645 -1.145 1 1 996 . 3 1 1 A 77 77 TYR CB C 77 39.800 41.756 -1.956 1 1 1001 . 3 1 1 A 77 77 TYR N N 77 124.400 125.442 -1.042 1 1 1002 . 3 1 1 A 78 78 ASN H H 78 9.100 9.092 0.008 1 1 1003 . 3 1 1 A 78 78 ASN HA H 78 4.000 4.096 -0.096 1 1 1008 . 3 1 1 A 78 78 ASN C C 78 177.300 173.940 3.360 1 1 1009 . 3 1 1 A 78 78 ASN CA C 78 54.700 53.875 0.825 1 1 1010 . 3 1 1 A 78 78 ASN CB C 78 36.600 36.828 -0.228 1 1 1011 . 3 1 1 A 78 78 ASN N N 78 125.800 125.758 0.042 1 1 1013 . 3 1 1 A 79 79 ASP H H 79 8.640 8.411 0.229 1 1 1014 . 3 1 1 A 79 79 ASP HA H 79 4.240 4.133 0.107 1 1 1017 . 3 1 1 A 79 79 ASP C C 79 174.600 174.633 -0.033 1 1 1018 . 3 1 1 A 79 79 ASP CA C 79 54.900 55.419 -0.519 1 1 1019 . 3 1 1 A 79 79 ASP CB C 79 39.700 40.048 -0.348 1 1 1020 . 3 1 1 A 79 79 ASP N N 79 115.700 116.841 -1.141 1 1 1021 . 3 1 1 A 80 80 ARG H H 80 7.880 7.607 0.273 1 1 1022 . 3 1 1 A 80 80 ARG HA H 80 4.370 4.780 -0.410 1 1 1030 . 3 1 1 A 80 80 ARG C C 80 175.000 174.547 0.453 1 1 1031 . 3 1 1 A 80 80 ARG CA C 80 54.200 53.929 0.271 1 1 1032 . 3 1 1 A 80 80 ARG CB C 80 31.800 34.061 -2.261 1 1 1035 . 3 1 1 A 80 80 ARG N N 80 119.700 118.324 1.376 1 1 1037 . 3 1 1 A 81 81 PHE H H 81 8.410 8.915 -0.505 1 1 1038 . 3 1 1 A 81 81 PHE HA H 81 5.420 4.690 0.730 1 1 1046 . 3 1 1 A 81 81 PHE C C 81 174.400 175.440 -1.040 1 1 1047 . 3 1 1 A 81 81 PHE CA C 81 57.200 59.518 -2.318 1 1 1048 . 3 1 1 A 81 81 PHE CB C 81 42.000 40.334 1.666 1 1 1054 . 3 1 1 A 81 81 PHE N N 81 120.700 120.020 0.680 1 1 1055 . 3 1 1 A 82 82 GLN H H 82 8.950 8.658 0.292 1 1 1056 . 3 1 1 A 82 82 GLN HA H 82 5.110 4.791 0.319 1 1 1063 . 3 1 1 A 82 82 GLN C C 82 172.400 173.946 -1.546 1 1 1064 . 3 1 1 A 82 82 GLN CA C 82 53.500 54.961 -1.461 1 1 1065 . 3 1 1 A 82 82 GLN CB C 82 31.900 33.067 -1.167 1 1 1067 . 3 1 1 A 82 82 GLN N N 82 115.000 122.034 -7.034 1 1 1069 . 3 1 1 A 83 83 VAL H H 83 9.090 8.462 0.628 1 1 1070 . 3 1 1 A 83 83 VAL HA H 83 4.380 4.717 -0.337 1 1 1078 . 3 1 1 A 83 83 VAL C C 83 174.600 174.763 -0.163 1 1 1079 . 3 1 1 A 83 83 VAL CA C 83 61.600 61.654 -0.054 1 1 1080 . 3 1 1 A 83 83 VAL CB C 83 33.500 32.953 0.547 1 1 1083 . 3 1 1 A 83 83 VAL N N 83 118.900 126.003 -7.103 1 1 1084 . 3 1 1 A 84 84 GLN H H 84 9.280 8.705 0.575 1 1 1085 . 3 1 1 A 84 84 GLN HA H 84 5.020 4.780 0.240 1 1 1092 . 3 1 1 A 84 84 GLN C C 84 174.500 174.612 -0.112 1 1 1093 . 3 1 1 A 84 84 GLN CA C 84 54.400 54.866 -0.466 1 1 1094 . 3 1 1 A 84 84 GLN CB C 84 29.900 30.357 -0.457 1 1 1096 . 3 1 1 A 84 84 GLN N N 84 124.800 127.286 -2.486 1 1 1098 . 3 1 1 A 85 85 VAL H H 85 8.680 8.813 -0.133 1 1 1099 . 3 1 1 A 85 85 VAL HA H 85 4.300 4.780 -0.480 1 1 1107 . 3 1 1 A 85 85 VAL C C 85 174.500 175.470 -0.970 1 1 1108 . 3 1 1 A 85 85 VAL CA C 85 61.700 61.452 0.248 1 1 1109 . 3 1 1 A 85 85 VAL CB C 85 31.700 33.179 -1.479 1 1 1112 . 3 1 1 A 85 85 VAL N N 85 125.500 125.570 -0.070 1 1 1113 . 3 1 1 A 86 86 ASN H H 86 8.740 8.731 0.009 1 1 1114 . 3 1 1 A 86 86 ASN HA H 86 5.240 5.290 -0.050 1 1 1119 . 3 1 1 A 86 86 ASN C C 86 175.300 176.589 -1.289 1 1 1120 . 3 1 1 A 86 86 ASN CA C 86 51.800 51.669 0.131 1 1 1121 . 3 1 1 A 86 86 ASN CB C 86 42.400 41.478 0.922 1 1 1122 . 3 1 1 A 86 86 ASN N N 86 124.000 125.933 -1.933 1 1 1124 . 3 1 1 A 87 87 LYS H H 87 8.530 8.879 -0.349 1 1 1125 . 3 1 1 A 87 87 LYS HA H 87 4.210 4.014 0.196 1 1 1134 . 3 1 1 A 87 87 LYS C C 87 176.700 178.561 -1.861 1 1 1135 . 3 1 1 A 87 87 LYS CA C 87 59.000 59.857 -0.857 1 1 1136 . 3 1 1 A 87 87 LYS CB C 87 32.400 32.114 0.286 1 1 1140 . 3 1 1 A 87 87 LYS N N 87 117.600 123.277 -5.677 1 1 1141 . 3 1 1 A 88 88 ASN H H 88 8.600 8.571 0.029 1 1 1142 . 3 1 1 A 88 88 ASN HA H 88 4.810 4.652 0.158 1 1 1147 . 3 1 1 A 88 88 ASN C C 88 175.600 175.626 -0.026 1 1 1148 . 3 1 1 A 88 88 ASN CA C 88 54.100 54.536 -0.436 1 1 1149 . 3 1 1 A 88 88 ASN CB C 88 39.100 37.492 1.608 1 1 1150 . 3 1 1 A 88 88 ASN N N 88 115.500 115.573 -0.073 1 1 1152 . 3 1 1 A 89 89 SER H H 89 8.150 7.521 0.629 1 1 1153 . 3 1 1 A 89 89 SER HA H 89 5.120 4.701 0.419 1 1 1156 . 3 1 1 A 89 89 SER C C 89 172.400 173.783 -1.383 1 1 1157 . 3 1 1 A 89 89 SER CA C 89 58.100 57.971 0.129 1 1 1158 . 3 1 1 A 89 89 SER CB C 89 64.000 65.416 -1.416 1 1 1159 . 3 1 1 A 89 89 SER N N 89 117.500 114.999 2.501 1 1 1160 . 3 1 1 A 90 90 SER H H 90 8.200 8.420 -0.220 1 1 1161 . 3 1 1 A 90 90 SER HA H 90 4.680 5.329 -0.649 1 1 1164 . 3 1 1 A 90 90 SER C C 90 172.400 172.793 -0.393 1 1 1165 . 3 1 1 A 90 90 SER CA C 90 57.700 57.011 0.689 1 1 1166 . 3 1 1 A 90 90 SER CB C 90 65.700 66.290 -0.590 1 1 1167 . 3 1 1 A 90 90 SER N N 90 113.200 116.714 -3.514 1 1 1168 . 3 1 1 A 91 91 ILE H H 91 8.640 8.929 -0.289 1 1 1169 . 3 1 1 A 91 91 ILE HA H 91 5.030 5.263 -0.233 1 1 1179 . 3 1 1 A 91 91 ILE C C 91 175.300 174.676 0.624 1 1 1180 . 3 1 1 A 91 91 ILE CA C 91 60.200 60.320 -0.120 1 1 1181 . 3 1 1 A 91 91 ILE CB C 91 42.200 40.479 1.721 1 1 1185 . 3 1 1 A 91 91 ILE N N 91 119.700 123.312 -3.612 1 1 1186 . 3 1 1 A 92 92 GLU H H 92 8.810 8.645 0.165 1 1 1187 . 3 1 1 A 92 92 GLU HA H 92 4.710 5.023 -0.313 1 1 1192 . 3 1 1 A 92 92 GLU C C 92 174.700 175.608 -0.908 1 1 1193 . 3 1 1 A 92 92 GLU CA C 92 54.600 54.483 0.117 1 1 1194 . 3 1 1 A 92 92 GLU CB C 92 33.300 33.364 -0.064 1 1 1196 . 3 1 1 A 92 92 GLU N N 92 125.900 126.380 -0.480 1 1 1197 . 3 1 1 A 93 93 LYS H H 93 9.080 8.724 0.356 1 1 1198 . 3 1 1 A 93 93 LYS HA H 93 4.100 4.155 -0.055 1 1 1207 . 3 1 1 A 93 93 LYS C C 93 176.400 176.368 0.032 1 1 1208 . 3 1 1 A 93 93 LYS CA C 93 57.500 56.604 0.896 1 1 1209 . 3 1 1 A 93 93 LYS CB C 93 32.900 32.502 0.398 1 1 1213 . 3 1 1 A 93 93 LYS N N 93 127.600 123.973 3.627 1 1 1214 . 3 1 1 A 94 94 LEU H H 94 8.410 8.206 0.204 1 1 1215 . 3 1 1 A 94 94 LEU HA H 94 4.480 4.490 -0.010 1 1 1224 . 3 1 1 A 94 94 LEU C C 94 177.300 176.467 0.833 1 1 1225 . 3 1 1 A 94 94 LEU CA C 94 53.900 54.519 -0.619 1 1 1226 . 3 1 1 A 94 94 LEU CB C 94 42.900 42.514 0.386 1 1 1230 . 3 1 1 A 94 94 LEU N N 94 127.300 125.203 2.097 1 1 1231 . 3 1 1 A 95 95 SER H H 95 8.630 7.991 0.639 1 1 1232 . 3 1 1 A 95 95 SER HA H 95 4.350 4.023 0.327 1 1 1235 . 3 1 1 A 95 95 SER C C 95 173.800 173.667 0.133 1 1 1236 . 3 1 1 A 95 95 SER CA C 95 58.900 59.465 -0.565 1 1 1237 . 3 1 1 A 95 95 SER CB C 95 63.400 62.663 0.737 1 1 1238 . 3 1 1 A 95 95 SER N N 95 115.700 114.504 1.196 1 1 1239 . 3 1 1 A 96 96 GLU H H 96 7.230 7.330 -0.100 1 1 1240 . 3 1 1 A 96 96 GLU HA H 96 4.750 4.728 0.022 1 1 1245 . 3 1 1 A 96 96 GLU CA C 96 53.000 53.443 -0.443 1 1 1246 . 3 1 1 A 96 96 GLU CB C 96 30.700 31.265 -0.565 1 1 1248 . 3 1 1 A 96 96 GLU N N 96 121.600 121.376 0.224 1 1 1249 . 3 1 1 A 97 97 PRO HA H 97 4.250 4.794 -0.544 1 1 1256 . 3 1 1 A 97 97 PRO CA C 97 62.400 62.182 0.218 1 1 1257 . 3 1 1 A 97 97 PRO CB C 97 32.600 32.563 0.037 1 1 1260 . 3 1 1 A 98 98 ILE H H 98 7.920 8.536 -0.616 1 1 1261 . 3 1 1 A 98 98 ILE HA H 98 4.070 4.766 -0.696 1 1 1271 . 3 1 1 A 98 98 ILE C C 98 175.400 174.552 0.848 1 1 1272 . 3 1 1 A 98 98 ILE CA C 98 59.300 59.598 -0.298 1 1 1273 . 3 1 1 A 98 98 ILE CB C 98 38.300 39.883 -1.583 1 1 1277 . 3 1 1 A 98 98 ILE N N 98 122.700 121.633 1.067 1 1 1278 . 3 1 1 A 99 99 GLU H H 99 8.550 9.034 -0.484 1 1 1279 . 3 1 1 A 99 99 GLU HA H 99 4.260 4.687 -0.427 1 1 1284 . 3 1 1 A 99 99 GLU C C 99 175.100 176.328 -1.228 1 1 1285 . 3 1 1 A 99 99 GLU CA C 99 55.500 55.295 0.205 1 1 1286 . 3 1 1 A 99 99 GLU CB C 99 30.000 31.323 -1.323 1 1 1288 . 3 1 1 A 99 99 GLU N N 99 127.900 127.918 -0.018 1 1 1289 . 3 1 1 A 100 100 VAL H H 100 7.970 9.009 -1.039 1 1 1290 . 3 1 1 A 100 100 VAL HA H 100 3.980 4.378 -0.398 1 1 1298 . 3 1 1 A 100 100 VAL C C 100 176.700 175.419 1.281 1 1 1299 . 3 1 1 A 100 100 VAL CA C 100 61.000 61.692 -0.692 1 1 1300 . 3 1 1 A 100 100 VAL CB C 100 33.000 30.469 2.531 1 1 1303 . 3 1 1 A 100 100 VAL N N 100 121.100 128.776 -7.676 1 1 1304 . 3 1 1 A 101 101 GLY H H 101 8.520 7.373 1.147 1 1 1305 . 3 1 1 A 101 101 GLY HA2 H 101 3.830 4.184 -0.354 1 1 1306 . 3 1 1 A 101 101 GLY HA3 H 101 3.980 4.191 -0.211 1 1 1307 . 3 1 1 A 101 101 GLY C C 101 174.200 174.216 -0.016 1 1 1308 . 3 1 1 A 101 101 GLY CA C 101 45.800 44.987 0.813 1 1 1309 . 3 1 1 A 101 101 GLY N N 101 114.000 110.181 3.819 1 1 1310 . 3 1 1 A 102 102 LEU H H 102 8.100 8.476 -0.376 1 1 1311 . 3 1 1 A 102 102 LEU HA H 102 4.170 4.384 -0.214 1 1 1320 . 3 1 1 A 102 102 LEU C C 102 177.700 176.966 0.734 1 1 1321 . 3 1 1 A 102 102 LEU CA C 102 55.500 56.003 -0.503 1 1 1322 . 3 1 1 A 102 102 LEU CB C 102 42.600 42.476 0.124 1 1 1326 . 3 1 1 A 102 102 LEU N N 102 121.000 124.796 -3.796 1 1 1327 . 3 1 1 A 103 103 GLU H H 103 8.420 7.765 0.655 1 1 1328 . 3 1 1 A 103 103 GLU HA H 103 4.090 4.406 -0.316 1 1 1333 . 3 1 1 A 103 103 GLU C C 103 176.400 176.092 0.308 1 1 1334 . 3 1 1 A 103 103 GLU CA C 103 57.100 56.691 0.409 1 1 1335 . 3 1 1 A 103 103 GLU CB C 103 29.900 30.023 -0.123 1 1 1337 . 3 1 1 A 103 103 GLU N N 103 120.000 117.788 2.212 1 1 1338 . 3 1 1 A 104 104 HIS H H 104 8.180 8.942 -0.762 1 1 1339 . 3 1 1 A 104 104 HIS HA H 104 4.580 4.788 -0.208 1 1 1342 . 3 1 1 A 104 104 HIS C C 104 173.800 174.898 -1.098 1 1 1343 . 3 1 1 A 104 104 HIS CA C 104 55.700 54.708 0.992 1 1 1344 . 3 1 1 A 104 104 HIS CB C 104 30.000 30.923 -0.923 1 1 1345 . 3 1 1 A 104 104 HIS N N 104 119.000 123.592 -4.592 1 1 1346 . 3 1 1 A 105 105 HIS H H 105 8.160 7.845 0.315 1 1 1347 . 3 1 1 A 105 105 HIS HA H 105 4.380 4.199 0.181 1 1 1350 . 3 1 1 A 105 105 HIS CA C 105 57.200 56.294 0.906 1 1 1351 . 3 1 1 A 105 105 HIS CB C 105 30.000 28.083 1.917 1 1 1 . 4 1 1 A 3 3 PRO HA H 3 4.430 4.643 -0.213 1 1 8 . 4 1 1 A 3 3 PRO C C 3 175.600 176.240 -0.640 1 1 9 . 4 1 1 A 3 3 PRO CA C 3 62.510 62.538 -0.028 1 1 10 . 4 1 1 A 3 3 PRO CB C 3 32.000 32.137 -0.137 1 1 13 . 4 1 1 A 4 4 GLN H H 4 8.580 8.446 0.134 1 1 14 . 4 1 1 A 4 4 GLN HA H 4 4.260 4.548 -0.288 1 1 21 . 4 1 1 A 4 4 GLN C C 4 176.900 175.219 1.681 1 1 22 . 4 1 1 A 4 4 GLN CA C 4 55.700 55.436 0.264 1 1 23 . 4 1 1 A 4 4 GLN CB C 4 29.200 29.239 -0.039 1 1 25 . 4 1 1 A 4 4 GLN N N 4 120.000 121.374 -1.374 1 1 27 . 4 1 1 A 5 5 LEU H H 5 8.920 9.065 -0.145 1 1 28 . 4 1 1 A 5 5 LEU HA H 5 4.660 4.980 -0.320 1 1 38 . 4 1 1 A 5 5 LEU C C 5 176.900 176.310 0.590 1 1 39 . 4 1 1 A 5 5 LEU CA C 5 54.700 53.780 0.920 1 1 40 . 4 1 1 A 5 5 LEU CB C 5 43.000 43.707 -0.707 1 1 44 . 4 1 1 A 5 5 LEU N N 5 128.500 129.340 -0.840 1 1 45 . 4 1 1 A 6 6 THR H H 6 8.750 8.991 -0.241 1 1 46 . 4 1 1 A 6 6 THR HA H 6 4.530 5.027 -0.497 1 1 51 . 4 1 1 A 6 6 THR C C 6 173.700 173.825 -0.125 1 1 52 . 4 1 1 A 6 6 THR CA C 6 61.600 61.132 0.468 1 1 53 . 4 1 1 A 6 6 THR CB C 6 72.000 71.585 0.415 1 1 55 . 4 1 1 A 6 6 THR N N 6 121.000 121.276 -0.276 1 1 56 . 4 1 1 A 7 7 LYS H H 7 9.080 8.855 0.225 1 1 57 . 4 1 1 A 7 7 LYS HA H 7 4.430 4.524 -0.094 1 1 66 . 4 1 1 A 7 7 LYS C C 7 178.600 178.256 0.344 1 1 67 . 4 1 1 A 7 7 LYS CA C 7 54.300 54.623 -0.323 1 1 68 . 4 1 1 A 7 7 LYS CB C 7 32.300 33.866 -1.566 1 1 72 . 4 1 1 A 7 7 LYS N N 7 126.300 124.581 1.719 1 1 73 . 4 1 1 A 8 8 ILE H H 8 9.870 8.881 0.989 1 1 74 . 4 1 1 A 8 8 ILE HA H 8 3.240 3.767 -0.527 1 1 82 . 4 1 1 A 8 8 ILE C C 8 178.700 177.908 0.792 1 1 83 . 4 1 1 A 8 8 ILE CA C 8 66.800 65.377 1.423 1 1 84 . 4 1 1 A 8 8 ILE CB C 8 36.400 37.568 -1.168 1 1 87 . 4 1 1 A 8 8 ILE N N 8 124.700 122.685 2.015 1 1 88 . 4 1 1 A 9 9 VAL H H 9 8.340 8.012 0.328 1 1 89 . 4 1 1 A 9 9 VAL HA H 9 3.930 3.890 0.040 1 1 97 . 4 1 1 A 9 9 VAL C C 9 178.700 176.319 2.381 1 1 98 . 4 1 1 A 9 9 VAL CA C 9 63.300 64.349 -1.049 1 1 99 . 4 1 1 A 9 9 VAL CB C 9 31.700 31.511 0.189 1 1 102 . 4 1 1 A 9 9 VAL N N 9 119.500 120.459 -0.959 1 1 103 . 4 1 1 A 10 10 ASP H H 10 7.510 7.884 -0.374 1 1 104 . 4 1 1 A 10 10 ASP HA H 10 4.730 4.663 0.067 1 1 107 . 4 1 1 A 10 10 ASP C C 10 174.500 175.672 -1.172 1 1 108 . 4 1 1 A 10 10 ASP CA C 10 54.400 54.126 0.274 1 1 109 . 4 1 1 A 10 10 ASP CB C 10 41.100 41.629 -0.529 1 1 110 . 4 1 1 A 10 10 ASP N N 10 119.100 119.194 -0.094 1 1 111 . 4 1 1 A 11 11 ILE H H 11 7.460 7.583 -0.123 1 1 112 . 4 1 1 A 11 11 ILE HA H 11 3.800 4.083 -0.283 1 1 122 . 4 1 1 A 11 11 ILE C C 11 174.900 176.403 -1.503 1 1 123 . 4 1 1 A 11 11 ILE CA C 11 62.100 60.668 1.432 1 1 124 . 4 1 1 A 11 11 ILE CB C 11 35.300 38.114 -2.814 1 1 128 . 4 1 1 A 11 11 ILE N N 11 124.200 120.726 3.474 1 1 129 . 4 1 1 A 12 12 VAL H H 12 8.530 8.594 -0.064 1 1 130 . 4 1 1 A 12 12 VAL HA H 12 4.260 4.071 0.189 1 1 138 . 4 1 1 A 12 12 VAL C C 12 174.900 174.994 -0.094 1 1 139 . 4 1 1 A 12 12 VAL CA C 12 60.600 61.046 -0.446 1 1 140 . 4 1 1 A 12 12 VAL CB C 12 35.400 33.910 1.490 1 1 143 . 4 1 1 A 12 12 VAL N N 12 118.400 119.075 -0.675 1 1 144 . 4 1 1 A 13 13 GLU H H 13 7.430 7.349 0.081 1 1 145 . 4 1 1 A 13 13 GLU HA H 13 4.590 4.976 -0.386 1 1 150 . 4 1 1 A 13 13 GLU C C 13 173.800 174.421 -0.621 1 1 151 . 4 1 1 A 13 13 GLU CA C 13 54.800 54.741 0.059 1 1 152 . 4 1 1 A 13 13 GLU CB C 13 33.160 33.319 -0.159 1 1 154 . 4 1 1 A 13 13 GLU N N 13 120.100 122.754 -2.654 1 1 155 . 4 1 1 A 14 14 ASN H H 14 8.800 8.759 0.041 1 1 156 . 4 1 1 A 14 14 ASN HA H 14 4.110 5.034 -0.924 1 1 161 . 4 1 1 A 14 14 ASN C C 14 176.600 175.661 0.939 1 1 162 . 4 1 1 A 14 14 ASN CA C 14 54.600 52.367 2.233 1 1 163 . 4 1 1 A 14 14 ASN CB C 14 38.900 39.563 -0.663 1 1 164 . 4 1 1 A 14 14 ASN N N 14 121.500 123.352 -1.852 1 1 166 . 4 1 1 A 15 15 GLY H H 15 8.620 9.243 -0.623 1 1 167 . 4 1 1 A 15 15 GLY HA2 H 15 3.460 3.700 -0.240 1 1 168 . 4 1 1 A 15 15 GLY HA3 H 15 4.110 3.795 0.315 1 1 169 . 4 1 1 A 15 15 GLY C C 15 173.100 173.296 -0.196 1 1 170 . 4 1 1 A 15 15 GLY CA C 15 45.300 45.663 -0.363 1 1 171 . 4 1 1 A 15 15 GLY N N 15 114.900 110.412 4.488 1 1 172 . 4 1 1 A 16 16 GLN H H 16 7.280 7.666 -0.386 1 1 173 . 4 1 1 A 16 16 GLN HA H 16 4.160 4.629 -0.469 1 1 180 . 4 1 1 A 16 16 GLN C C 16 174.400 174.784 -0.384 1 1 181 . 4 1 1 A 16 16 GLN CA C 16 56.300 54.510 1.790 1 1 182 . 4 1 1 A 16 16 GLN CB C 16 30.300 30.687 -0.387 1 1 184 . 4 1 1 A 16 16 GLN N N 16 121.500 119.984 1.516 1 1 186 . 4 1 1 A 17 17 TRP H H 17 8.640 8.933 -0.293 1 1 187 . 4 1 1 A 17 17 TRP HA H 17 5.400 5.437 -0.037 1 1 196 . 4 1 1 A 17 17 TRP C C 17 176.900 176.097 0.803 1 1 197 . 4 1 1 A 17 17 TRP CA C 17 56.400 56.334 0.066 1 1 198 . 4 1 1 A 17 17 TRP CB C 17 30.300 30.986 -0.686 1 1 204 . 4 1 1 A 17 17 TRP N N 17 125.500 125.598 -0.098 1 1 206 . 4 1 1 A 18 18 ALA H H 18 9.020 8.801 0.219 1 1 207 . 4 1 1 A 18 18 ALA HA H 18 4.650 4.889 -0.239 1 1 211 . 4 1 1 A 18 18 ALA C C 18 174.100 175.120 -1.020 1 1 212 . 4 1 1 A 18 18 ALA CA C 18 51.430 51.278 0.152 1 1 213 . 4 1 1 A 18 18 ALA CB C 18 22.600 23.454 -0.854 1 1 214 . 4 1 1 A 18 18 ALA N N 18 124.000 122.893 1.107 1 1 215 . 4 1 1 A 19 19 ASN H H 19 8.250 8.235 0.015 1 1 216 . 4 1 1 A 19 19 ASN HA H 19 5.710 5.644 0.066 1 1 221 . 4 1 1 A 19 19 ASN C C 19 173.500 174.307 -0.807 1 1 222 . 4 1 1 A 19 19 ASN CA C 19 51.600 52.033 -0.433 1 1 223 . 4 1 1 A 19 19 ASN CB C 19 40.100 41.853 -1.753 1 1 224 . 4 1 1 A 19 19 ASN N N 19 116.500 116.392 0.108 1 1 226 . 4 1 1 A 20 20 LEU H H 20 9.280 9.024 0.256 1 1 227 . 4 1 1 A 20 20 LEU HA H 20 4.930 5.171 -0.241 1 1 236 . 4 1 1 A 20 20 LEU C C 20 174.800 175.507 -0.707 1 1 237 . 4 1 1 A 20 20 LEU CA C 20 54.200 53.394 0.806 1 1 238 . 4 1 1 A 20 20 LEU CB C 20 46.300 45.752 0.548 1 1 241 . 4 1 1 A 20 20 LEU N N 20 121.800 123.057 -1.257 1 1 242 . 4 1 1 A 21 21 LYS H H 21 8.550 8.564 -0.014 1 1 243 . 4 1 1 A 21 21 LYS HA H 21 5.450 5.494 -0.044 1 1 252 . 4 1 1 A 21 21 LYS C C 21 174.800 174.891 -0.091 1 1 253 . 4 1 1 A 21 21 LYS CA C 21 55.350 54.867 0.483 1 1 254 . 4 1 1 A 21 21 LYS CB C 21 34.300 36.074 -1.774 1 1 258 . 4 1 1 A 21 21 LYS N N 21 122.500 122.664 -0.164 1 1 259 . 4 1 1 A 22 22 ALA H H 22 9.090 8.353 0.737 1 1 260 . 4 1 1 A 22 22 ALA HA H 22 4.830 4.764 0.066 1 1 264 . 4 1 1 A 22 22 ALA C C 22 173.800 175.117 -1.317 1 1 265 . 4 1 1 A 22 22 ALA CA C 22 51.300 51.219 0.081 1 1 266 . 4 1 1 A 22 22 ALA CB C 22 24.700 22.870 1.830 1 1 267 . 4 1 1 A 22 22 ALA N N 22 123.200 126.321 -3.121 1 1 268 . 4 1 1 A 23 23 LYS H H 23 9.190 8.213 0.977 1 1 269 . 4 1 1 A 23 23 LYS HA H 23 5.080 5.032 0.048 1 1 276 . 4 1 1 A 23 23 LYS C C 23 176.900 176.032 0.868 1 1 277 . 4 1 1 A 23 23 LYS CA C 23 54.100 54.311 -0.211 1 1 278 . 4 1 1 A 23 23 LYS CB C 23 35.800 35.222 0.578 1 1 281 . 4 1 1 A 23 23 LYS N N 23 121.100 118.557 2.543 1 1 282 . 4 1 1 A 24 24 VAL H H 24 8.620 8.650 -0.030 1 1 283 . 4 1 1 A 24 24 VAL HA H 24 4.110 4.326 -0.216 1 1 291 . 4 1 1 A 24 24 VAL C C 24 175.800 175.566 0.234 1 1 292 . 4 1 1 A 24 24 VAL CA C 24 62.750 62.874 -0.124 1 1 293 . 4 1 1 A 24 24 VAL CB C 24 30.500 31.353 -0.853 1 1 296 . 4 1 1 A 24 24 VAL N N 24 125.600 122.439 3.161 1 1 297 . 4 1 1 A 25 25 ILE H H 25 8.430 8.635 -0.205 1 1 298 . 4 1 1 A 25 25 ILE HA H 25 4.210 4.042 0.168 1 1 308 . 4 1 1 A 25 25 ILE C C 25 176.700 175.823 0.877 1 1 309 . 4 1 1 A 25 25 ILE CA C 25 62.100 63.171 -1.071 1 1 310 . 4 1 1 A 25 25 ILE CB C 25 38.300 38.563 -0.263 1 1 314 . 4 1 1 A 25 25 ILE N N 25 127.400 129.443 -2.043 1 1 315 . 4 1 1 A 26 26 GLN H H 26 7.590 7.630 -0.040 1 1 316 . 4 1 1 A 26 26 GLN HA H 26 4.560 4.737 -0.177 1 1 323 . 4 1 1 A 26 26 GLN C C 26 173.700 173.371 0.329 1 1 324 . 4 1 1 A 26 26 GLN CA C 26 55.400 55.404 -0.004 1 1 325 . 4 1 1 A 26 26 GLN CB C 26 34.100 31.964 2.136 1 1 327 . 4 1 1 A 26 26 GLN N N 26 117.100 118.126 -1.026 1 1 329 . 4 1 1 A 27 27 LEU H H 27 8.470 8.778 -0.308 1 1 330 . 4 1 1 A 27 27 LEU HA H 27 4.710 5.379 -0.669 1 1 340 . 4 1 1 A 27 27 LEU C C 27 176.200 175.639 0.561 1 1 341 . 4 1 1 A 27 27 LEU CA C 27 54.100 53.749 0.351 1 1 342 . 4 1 1 A 27 27 LEU CB C 27 44.000 45.333 -1.333 1 1 346 . 4 1 1 A 27 27 LEU N N 27 123.600 124.063 -0.463 1 1 347 . 4 1 1 A 28 28 TRP H H 28 8.850 8.488 0.362 1 1 348 . 4 1 1 A 28 28 TRP HA H 28 5.180 5.130 0.050 1 1 357 . 4 1 1 A 28 28 TRP C C 28 175.900 174.760 1.140 1 1 358 . 4 1 1 A 28 28 TRP CA C 28 53.300 56.440 -3.140 1 1 359 . 4 1 1 A 28 28 TRP CB C 28 31.400 32.730 -1.330 1 1 365 . 4 1 1 A 28 28 TRP N N 28 123.900 126.262 -2.362 1 1 367 . 4 1 1 A 29 29 GLU H H 29 8.620 8.449 0.171 1 1 368 . 4 1 1 A 29 29 GLU HA H 29 4.250 4.585 -0.335 1 1 373 . 4 1 1 A 29 29 GLU C C 29 175.700 176.636 -0.936 1 1 374 . 4 1 1 A 29 29 GLU CA C 29 56.800 56.361 0.439 1 1 375 . 4 1 1 A 29 29 GLU CB C 29 30.000 30.721 -0.721 1 1 377 . 4 1 1 A 29 29 GLU N N 29 120.700 125.668 -4.968 1 1 378 . 4 1 1 A 30 30 ASN H H 30 8.720 7.934 0.786 1 1 379 . 4 1 1 A 30 30 ASN HA H 30 4.870 5.122 -0.252 1 1 384 . 4 1 1 A 30 30 ASN C C 30 174.800 175.772 -0.972 1 1 385 . 4 1 1 A 30 30 ASN CA C 30 53.800 52.007 1.793 1 1 386 . 4 1 1 A 30 30 ASN CB C 30 41.200 39.936 1.264 1 1 387 . 4 1 1 A 30 30 ASN N N 30 121.400 120.851 0.549 1 1 389 . 4 1 1 A 31 31 THR H H 31 8.300 8.416 -0.116 1 1 390 . 4 1 1 A 31 31 THR HA H 31 4.430 4.379 0.051 1 1 395 . 4 1 1 A 31 31 THR C C 31 174.200 174.661 -0.461 1 1 396 . 4 1 1 A 31 31 THR CA C 31 61.000 61.894 -0.894 1 1 397 . 4 1 1 A 31 31 THR CB C 31 69.600 69.520 0.080 1 1 399 . 4 1 1 A 31 31 THR N N 31 114.200 113.223 0.977 1 1 400 . 4 1 1 A 32 32 HIS H H 32 7.840 7.237 0.603 1 1 401 . 4 1 1 A 32 32 HIS HA H 32 4.560 4.519 0.041 1 1 405 . 4 1 1 A 32 32 HIS C C 32 177.300 176.201 1.099 1 1 406 . 4 1 1 A 32 32 HIS CA C 32 57.600 56.935 0.665 1 1 407 . 4 1 1 A 32 32 HIS CB C 32 32.000 30.067 1.933 1 1 409 . 4 1 1 A 32 32 HIS N N 32 122.500 121.151 1.349 1 1 410 . 4 1 1 A 33 33 GLU H H 33 9.020 9.143 -0.123 1 1 411 . 4 1 1 A 33 33 GLU HA H 33 4.120 4.003 0.117 1 1 416 . 4 1 1 A 33 33 GLU C C 33 177.100 178.936 -1.836 1 1 417 . 4 1 1 A 33 33 GLU CA C 33 59.000 59.839 -0.839 1 1 418 . 4 1 1 A 33 33 GLU CB C 33 29.400 29.180 0.220 1 1 420 . 4 1 1 A 33 33 GLU N N 33 127.300 124.032 3.268 1 1 421 . 4 1 1 A 34 34 SER H H 34 9.430 7.915 1.515 1 1 422 . 4 1 1 A 34 34 SER HA H 34 4.580 4.317 0.263 1 1 425 . 4 1 1 A 34 34 SER C C 34 174.800 174.932 -0.132 1 1 426 . 4 1 1 A 34 34 SER CA C 34 59.500 61.689 -2.189 1 1 427 . 4 1 1 A 34 34 SER CB C 34 63.600 63.570 0.030 1 1 428 . 4 1 1 A 34 34 SER N N 34 113.400 115.229 -1.829 1 1 429 . 4 1 1 A 35 35 ILE H H 35 7.920 7.605 0.315 1 1 430 . 4 1 1 A 35 35 ILE HA H 35 4.080 3.561 0.519 1 1 440 . 4 1 1 A 35 35 ILE C C 35 174.300 175.886 -1.586 1 1 441 . 4 1 1 A 35 35 ILE CA C 35 61.600 61.827 -0.227 1 1 442 . 4 1 1 A 35 35 ILE CB C 35 40.700 37.684 3.016 1 1 446 . 4 1 1 A 35 35 ILE N N 35 125.800 120.955 4.845 1 1 447 . 4 1 1 A 36 36 SER H H 36 9.010 9.307 -0.297 1 1 448 . 4 1 1 A 36 36 SER HA H 36 4.480 4.631 -0.151 1 1 451 . 4 1 1 A 36 36 SER C C 36 174.900 173.337 1.563 1 1 452 . 4 1 1 A 36 36 SER CA C 36 58.800 59.875 -1.075 1 1 453 . 4 1 1 A 36 36 SER CB C 36 64.300 64.410 -0.110 1 1 454 . 4 1 1 A 36 36 SER N N 36 119.100 121.486 -2.386 1 1 455 . 4 1 1 A 37 37 GLN H H 37 7.390 7.162 0.228 1 1 456 . 4 1 1 A 37 37 GLN HA H 37 4.690 4.732 -0.042 1 1 463 . 4 1 1 A 37 37 GLN C C 37 171.800 174.027 -2.227 1 1 464 . 4 1 1 A 37 37 GLN CA C 37 54.900 54.967 -0.067 1 1 465 . 4 1 1 A 37 37 GLN CB C 37 36.200 33.159 3.041 1 1 466 . 4 1 1 A 37 37 GLN N N 37 116.500 116.403 0.097 1 1 468 . 4 1 1 A 38 38 VAL H H 38 8.640 8.452 0.188 1 1 469 . 4 1 1 A 38 38 VAL HA H 38 4.160 4.630 -0.470 1 1 477 . 4 1 1 A 38 38 VAL C C 38 172.400 174.407 -2.007 1 1 478 . 4 1 1 A 38 38 VAL CA C 38 58.500 59.193 -0.693 1 1 479 . 4 1 1 A 38 38 VAL CB C 38 35.300 35.667 -0.367 1 1 482 . 4 1 1 A 38 38 VAL N N 38 120.400 117.133 3.267 1 1 483 . 4 1 1 A 39 39 GLY H H 39 6.440 7.434 -0.994 1 1 484 . 4 1 1 A 39 39 GLY HA2 H 39 3.690 4.300 -0.610 1 1 485 . 4 1 1 A 39 39 GLY HA3 H 39 1.940 4.352 -2.412 1 1 486 . 4 1 1 A 39 39 GLY C C 39 170.600 171.778 -1.178 1 1 487 . 4 1 1 A 39 39 GLY CA C 39 45.300 45.677 -0.377 1 1 488 . 4 1 1 A 39 39 GLY N N 39 109.600 108.806 0.794 1 1 489 . 4 1 1 A 40 40 LEU H H 40 8.380 8.342 0.038 1 1 490 . 4 1 1 A 40 40 LEU HA H 40 4.980 5.238 -0.258 1 1 499 . 4 1 1 A 40 40 LEU C C 40 176.000 175.898 0.102 1 1 500 . 4 1 1 A 40 40 LEU CA C 40 53.200 53.482 -0.282 1 1 501 . 4 1 1 A 40 40 LEU CB C 40 47.400 45.230 2.170 1 1 504 . 4 1 1 A 40 40 LEU N N 40 119.500 121.356 -1.856 1 1 505 . 4 1 1 A 41 41 LEU H H 41 9.410 9.049 0.361 1 1 506 . 4 1 1 A 41 41 LEU HA H 41 5.320 5.327 -0.007 1 1 516 . 4 1 1 A 41 41 LEU C C 41 176.700 175.672 1.028 1 1 517 . 4 1 1 A 41 41 LEU CA C 41 52.400 52.949 -0.549 1 1 518 . 4 1 1 A 41 41 LEU CB C 41 44.900 44.064 0.836 1 1 522 . 4 1 1 A 41 41 LEU N N 41 122.700 122.791 -0.091 1 1 523 . 4 1 1 A 42 42 GLY H H 42 9.210 9.887 -0.677 1 1 524 . 4 1 1 A 42 42 GLY HA2 H 42 3.550 4.080 -0.530 1 1 525 . 4 1 1 A 42 42 GLY HA3 H 42 5.350 4.080 1.270 1 1 526 . 4 1 1 A 42 42 GLY C C 42 171.200 171.866 -0.666 1 1 527 . 4 1 1 A 42 42 GLY CA C 42 45.700 45.450 0.250 1 1 528 . 4 1 1 A 42 42 GLY N N 42 104.600 112.705 -8.105 1 1 529 . 4 1 1 A 43 43 ASP H H 43 8.960 8.675 0.285 1 1 530 . 4 1 1 A 43 43 ASP HA H 43 4.640 5.044 -0.404 1 1 533 . 4 1 1 A 43 43 ASP C C 43 175.600 176.492 -0.892 1 1 534 . 4 1 1 A 43 43 ASP CA C 43 52.700 52.214 0.486 1 1 535 . 4 1 1 A 43 43 ASP CB C 43 41.600 43.522 -1.922 1 1 536 . 4 1 1 A 43 43 ASP N N 43 121.900 126.147 -4.247 1 1 537 . 4 1 1 A 44 44 GLU H H 44 10.150 8.856 1.294 1 1 538 . 4 1 1 A 44 44 GLU HA H 44 4.380 4.075 0.305 1 1 543 . 4 1 1 A 44 44 GLU C C 44 176.900 177.614 -0.714 1 1 544 . 4 1 1 A 44 44 GLU CA C 44 59.300 59.330 -0.030 1 1 545 . 4 1 1 A 44 44 GLU CB C 44 28.100 29.345 -1.245 1 1 547 . 4 1 1 A 44 44 GLU N N 44 118.000 123.683 -5.683 1 1 548 . 4 1 1 A 45 45 THR H H 45 9.600 7.683 1.917 1 1 549 . 4 1 1 A 45 45 THR HA H 45 4.580 4.476 0.104 1 1 554 . 4 1 1 A 45 45 THR C C 45 174.800 173.845 0.955 1 1 555 . 4 1 1 A 45 45 THR CA C 45 61.700 62.391 -0.691 1 1 556 . 4 1 1 A 45 45 THR CB C 45 70.000 69.393 0.607 1 1 558 . 4 1 1 A 45 45 THR N N 45 112.000 108.508 3.492 1 1 559 . 4 1 1 A 46 46 GLY H H 46 7.640 7.289 0.351 1 1 560 . 4 1 1 A 46 46 GLY HA2 H 46 3.830 4.128 -0.298 1 1 561 . 4 1 1 A 46 46 GLY HA3 H 46 4.000 4.131 -0.131 1 1 562 . 4 1 1 A 46 46 GLY C C 46 169.400 171.592 -2.192 1 1 563 . 4 1 1 A 46 46 GLY CA C 46 46.000 45.209 0.791 1 1 564 . 4 1 1 A 46 46 GLY N N 46 110.600 107.807 2.793 1 1 565 . 4 1 1 A 47 47 ILE H H 47 8.000 8.263 -0.263 1 1 566 . 4 1 1 A 47 47 ILE HA H 47 5.450 5.208 0.242 1 1 576 . 4 1 1 A 47 47 ILE C C 47 175.200 174.214 0.986 1 1 577 . 4 1 1 A 47 47 ILE CA C 47 59.100 59.513 -0.413 1 1 578 . 4 1 1 A 47 47 ILE CB C 47 42.400 42.355 0.045 1 1 582 . 4 1 1 A 47 47 ILE N N 47 113.900 121.329 -7.429 1 1 583 . 4 1 1 A 48 48 ILE H H 48 9.340 8.458 0.882 1 1 584 . 4 1 1 A 48 48 ILE HA H 48 4.640 4.967 -0.327 1 1 594 . 4 1 1 A 48 48 ILE C C 48 171.500 173.917 -2.417 1 1 595 . 4 1 1 A 48 48 ILE CA C 48 60.600 59.027 1.573 1 1 596 . 4 1 1 A 48 48 ILE CB C 48 42.000 42.197 -0.197 1 1 600 . 4 1 1 A 48 48 ILE N N 48 123.600 124.174 -0.574 1 1 601 . 4 1 1 A 49 49 LYS H H 49 8.350 8.524 -0.174 1 1 602 . 4 1 1 A 49 49 LYS HA H 49 4.820 5.166 -0.346 1 1 611 . 4 1 1 A 49 49 LYS C C 49 174.700 176.120 -1.420 1 1 612 . 4 1 1 A 49 49 LYS CA C 49 56.400 55.183 1.217 1 1 613 . 4 1 1 A 49 49 LYS CB C 49 33.800 34.653 -0.853 1 1 617 . 4 1 1 A 49 49 LYS N N 49 129.100 127.340 1.760 1 1 618 . 4 1 1 A 50 50 PHE H H 50 8.570 8.837 -0.267 1 1 619 . 4 1 1 A 50 50 PHE HA H 50 5.820 5.897 -0.077 1 1 627 . 4 1 1 A 50 50 PHE C C 50 172.100 172.612 -0.512 1 1 628 . 4 1 1 A 50 50 PHE CA C 50 54.800 55.321 -0.521 1 1 629 . 4 1 1 A 50 50 PHE CB C 50 43.900 41.813 2.087 1 1 635 . 4 1 1 A 50 50 PHE N N 50 122.700 119.424 3.276 1 1 636 . 4 1 1 A 51 51 THR H H 51 8.190 8.880 -0.690 1 1 637 . 4 1 1 A 51 51 THR HA H 51 4.320 4.893 -0.573 1 1 642 . 4 1 1 A 51 51 THR C C 51 172.900 172.606 0.294 1 1 643 . 4 1 1 A 51 51 THR CA C 51 61.700 59.709 1.991 1 1 644 . 4 1 1 A 51 51 THR CB C 51 72.500 71.187 1.313 1 1 646 . 4 1 1 A 51 51 THR N N 51 114.400 113.914 0.486 1 1 647 . 4 1 1 A 52 52 ILE H H 52 8.880 9.312 -0.432 1 1 648 . 4 1 1 A 52 52 ILE HA H 52 4.650 4.710 -0.060 1 1 658 . 4 1 1 A 52 52 ILE C C 52 176.000 175.217 0.783 1 1 659 . 4 1 1 A 52 52 ILE CA C 52 60.500 60.321 0.179 1 1 660 . 4 1 1 A 52 52 ILE CB C 52 38.900 39.642 -0.742 1 1 664 . 4 1 1 A 52 52 ILE N N 52 123.400 127.191 -3.791 1 1 665 . 4 1 1 A 53 53 TRP H H 53 8.020 8.774 -0.754 1 1 666 . 4 1 1 A 53 53 TRP HA H 53 4.740 4.837 -0.097 1 1 675 . 4 1 1 A 53 53 TRP C C 53 177.500 177.617 -0.117 1 1 676 . 4 1 1 A 53 53 TRP CA C 53 57.700 57.141 0.559 1 1 677 . 4 1 1 A 53 53 TRP CB C 53 30.400 30.584 -0.184 1 1 683 . 4 1 1 A 53 53 TRP N N 53 129.500 128.819 0.681 1 1 685 . 4 1 1 A 54 54 LYS H H 54 8.980 8.585 0.395 1 1 686 . 4 1 1 A 54 54 LYS HA H 54 4.100 4.086 0.014 1 1 695 . 4 1 1 A 54 54 LYS C C 54 177.700 178.449 -0.749 1 1 696 . 4 1 1 A 54 54 LYS CA C 54 59.400 59.928 -0.528 1 1 697 . 4 1 1 A 54 54 LYS CB C 54 32.400 32.225 0.175 1 1 701 . 4 1 1 A 54 54 LYS N N 54 125.500 123.809 1.691 1 1 702 . 4 1 1 A 55 55 ASN H H 55 8.600 8.338 0.262 1 1 703 . 4 1 1 A 55 55 ASN HA H 55 4.510 4.608 -0.098 1 1 708 . 4 1 1 A 55 55 ASN C C 55 175.300 176.085 -0.785 1 1 709 . 4 1 1 A 55 55 ASN CA C 55 53.700 54.999 -1.299 1 1 710 . 4 1 1 A 55 55 ASN CB C 55 37.100 38.182 -1.082 1 1 711 . 4 1 1 A 55 55 ASN N N 55 115.400 116.659 -1.259 1 1 713 . 4 1 1 A 56 56 ALA H H 56 7.630 8.501 -0.871 1 1 714 . 4 1 1 A 56 56 ALA HA H 56 3.970 4.676 -0.706 1 1 718 . 4 1 1 A 56 56 ALA C C 56 176.100 177.196 -1.096 1 1 719 . 4 1 1 A 56 56 ALA CA C 56 53.500 50.836 2.664 1 1 720 . 4 1 1 A 56 56 ALA CB C 56 18.400 19.495 -1.095 1 1 721 . 4 1 1 A 56 56 ALA N N 56 121.200 121.046 0.154 1 1 722 . 4 1 1 A 57 57 GLU H H 57 7.880 7.300 0.580 1 1 723 . 4 1 1 A 57 57 GLU HA H 57 3.940 4.231 -0.291 1 1 728 . 4 1 1 A 57 57 GLU C C 57 175.400 176.479 -1.079 1 1 729 . 4 1 1 A 57 57 GLU CA C 57 56.700 56.578 0.122 1 1 730 . 4 1 1 A 57 57 GLU CB C 57 27.300 29.079 -1.779 1 1 732 . 4 1 1 A 57 57 GLU N N 57 112.500 117.877 -5.377 1 1 733 . 4 1 1 A 58 58 LEU H H 58 7.910 8.340 -0.430 1 1 734 . 4 1 1 A 58 58 LEU HA H 58 4.740 4.802 -0.062 1 1 744 . 4 1 1 A 58 58 LEU C C 58 175.400 174.543 0.857 1 1 745 . 4 1 1 A 58 58 LEU CA C 58 52.300 51.650 0.650 1 1 746 . 4 1 1 A 58 58 LEU CB C 58 42.900 43.345 -0.445 1 1 750 . 4 1 1 A 58 58 LEU N N 58 120.000 124.987 -4.987 1 1 751 . 4 1 1 A 59 59 PRO HA H 59 4.380 4.577 -0.197 1 1 758 . 4 1 1 A 59 59 PRO CA C 59 62.200 62.481 -0.281 1 1 759 . 4 1 1 A 59 59 PRO CB C 59 32.000 32.348 -0.348 1 1 762 . 4 1 1 A 60 60 LEU H H 60 7.860 8.279 -0.419 1 1 763 . 4 1 1 A 60 60 LEU HA H 60 3.920 4.368 -0.448 1 1 773 . 4 1 1 A 60 60 LEU C C 60 178.300 177.137 1.163 1 1 774 . 4 1 1 A 60 60 LEU CA C 60 55.000 54.797 0.203 1 1 775 . 4 1 1 A 60 60 LEU CB C 60 41.800 42.256 -0.456 1 1 779 . 4 1 1 A 60 60 LEU N N 60 117.500 123.179 -5.679 1 1 780 . 4 1 1 A 61 61 LEU H H 61 9.680 8.457 1.223 1 1 781 . 4 1 1 A 61 61 LEU HA H 61 4.040 4.235 -0.195 1 1 791 . 4 1 1 A 61 61 LEU C C 61 177.300 176.959 0.341 1 1 792 . 4 1 1 A 61 61 LEU CA C 61 54.100 54.469 -0.369 1 1 793 . 4 1 1 A 61 61 LEU CB C 61 41.300 42.059 -0.759 1 1 797 . 4 1 1 A 61 61 LEU N N 61 122.300 125.298 -2.998 1 1 798 . 4 1 1 A 62 62 GLU H H 62 8.390 9.377 -0.987 1 1 799 . 4 1 1 A 62 62 GLU HA H 62 4.430 4.730 -0.300 1 1 804 . 4 1 1 A 62 62 GLU C C 62 175.600 176.404 -0.804 1 1 805 . 4 1 1 A 62 62 GLU CA C 62 54.800 55.643 -0.843 1 1 806 . 4 1 1 A 62 62 GLU CB C 62 32.200 30.868 1.332 1 1 808 . 4 1 1 A 62 62 GLU N N 62 120.500 122.807 -2.307 1 1 809 . 4 1 1 A 63 63 GLN H H 63 8.780 8.744 0.036 1 1 810 . 4 1 1 A 63 63 GLN HA H 63 3.700 4.334 -0.634 1 1 817 . 4 1 1 A 63 63 GLN C C 63 176.600 176.352 0.248 1 1 818 . 4 1 1 A 63 63 GLN CA C 63 58.100 56.515 1.585 1 1 819 . 4 1 1 A 63 63 GLN CB C 63 28.300 28.937 -0.637 1 1 821 . 4 1 1 A 63 63 GLN N N 63 123.300 124.716 -1.416 1 1 823 . 4 1 1 A 64 64 GLY H H 64 9.140 8.759 0.381 1 1 824 . 4 1 1 A 64 64 GLY HA2 H 64 3.580 3.994 -0.414 1 1 825 . 4 1 1 A 64 64 GLY HA3 H 64 4.390 3.997 0.393 1 1 826 . 4 1 1 A 64 64 GLY C C 64 173.900 173.818 0.082 1 1 827 . 4 1 1 A 64 64 GLY CA C 64 45.300 45.249 0.051 1 1 828 . 4 1 1 A 64 64 GLY N N 64 115.100 111.991 3.109 1 1 829 . 4 1 1 A 65 65 GLU H H 65 7.590 7.654 -0.064 1 1 830 . 4 1 1 A 65 65 GLU HA H 65 4.490 4.600 -0.110 1 1 835 . 4 1 1 A 65 65 GLU C C 65 174.200 175.971 -1.771 1 1 836 . 4 1 1 A 65 65 GLU CA C 65 54.900 54.776 0.124 1 1 837 . 4 1 1 A 65 65 GLU CB C 65 30.500 31.136 -0.636 1 1 839 . 4 1 1 A 65 65 GLU N N 65 120.300 120.509 -0.209 1 1 840 . 4 1 1 A 66 66 SER H H 66 8.700 8.193 0.507 1 1 841 . 4 1 1 A 66 66 SER HA H 66 5.330 4.948 0.382 1 1 844 . 4 1 1 A 66 66 SER C C 66 174.100 173.224 0.876 1 1 845 . 4 1 1 A 66 66 SER CA C 66 58.300 57.157 1.143 1 1 846 . 4 1 1 A 66 66 SER CB C 66 65.500 64.686 0.814 1 1 847 . 4 1 1 A 66 66 SER N N 66 116.500 115.105 1.395 1 1 848 . 4 1 1 A 67 67 TYR H H 67 9.090 8.843 0.247 1 1 849 . 4 1 1 A 67 67 TYR HA H 67 5.110 5.037 0.073 1 1 856 . 4 1 1 A 67 67 TYR C C 67 173.900 174.314 -0.414 1 1 857 . 4 1 1 A 67 67 TYR CA C 67 57.500 56.159 1.341 1 1 858 . 4 1 1 A 67 67 TYR CB C 67 43.900 43.074 0.826 1 1 863 . 4 1 1 A 67 67 TYR N N 67 119.000 120.221 -1.221 1 1 864 . 4 1 1 A 68 68 LEU H H 68 9.230 9.111 0.119 1 1 865 . 4 1 1 A 68 68 LEU HA H 68 5.000 5.176 -0.176 1 1 875 . 4 1 1 A 68 68 LEU C C 68 175.300 174.538 0.762 1 1 876 . 4 1 1 A 68 68 LEU CA C 68 54.300 53.764 0.536 1 1 877 . 4 1 1 A 68 68 LEU CB C 68 43.800 45.218 -1.418 1 1 881 . 4 1 1 A 68 68 LEU N N 68 121.800 124.656 -2.856 1 1 882 . 4 1 1 A 69 69 LEU H H 69 9.460 9.429 0.031 1 1 883 . 4 1 1 A 69 69 LEU HA H 69 5.010 5.061 -0.051 1 1 893 . 4 1 1 A 69 69 LEU C C 69 175.000 175.757 -0.757 1 1 894 . 4 1 1 A 69 69 LEU CA C 69 54.100 53.385 0.715 1 1 895 . 4 1 1 A 69 69 LEU CB C 69 42.300 43.163 -0.863 1 1 899 . 4 1 1 A 69 69 LEU N N 69 128.500 128.280 0.220 1 1 900 . 4 1 1 A 70 70 ARG H H 70 8.910 8.504 0.406 1 1 901 . 4 1 1 A 70 70 ARG HA H 70 4.850 5.115 -0.265 1 1 909 . 4 1 1 A 70 70 ARG C C 70 176.400 175.699 0.701 1 1 910 . 4 1 1 A 70 70 ARG CA C 70 54.900 54.300 0.600 1 1 911 . 4 1 1 A 70 70 ARG CB C 70 32.300 33.516 -1.216 1 1 914 . 4 1 1 A 70 70 ARG N N 70 121.500 123.739 -2.239 1 1 916 . 4 1 1 A 71 71 SER H H 71 8.800 8.572 0.228 1 1 917 . 4 1 1 A 71 71 SER HA H 71 3.870 4.123 -0.253 1 1 920 . 4 1 1 A 71 71 SER C C 71 175.800 173.343 2.457 1 1 921 . 4 1 1 A 71 71 SER CA C 71 58.600 59.078 -0.478 1 1 922 . 4 1 1 A 71 71 SER CB C 71 62.000 61.631 0.369 1 1 923 . 4 1 1 A 71 71 SER N N 71 114.400 113.462 0.938 1 1 924 . 4 1 1 A 72 72 VAL H H 72 8.750 7.502 1.248 1 1 925 . 4 1 1 A 72 72 VAL HA H 72 4.610 5.098 -0.488 1 1 933 . 4 1 1 A 72 72 VAL C C 72 173.300 173.984 -0.684 1 1 934 . 4 1 1 A 72 72 VAL CA C 72 59.300 59.599 -0.299 1 1 935 . 4 1 1 A 72 72 VAL CB C 72 31.900 34.707 -2.807 1 1 938 . 4 1 1 A 72 72 VAL N N 72 115.500 115.413 0.087 1 1 939 . 4 1 1 A 73 73 VAL H H 73 7.940 8.385 -0.445 1 1 940 . 4 1 1 A 73 73 VAL HA H 73 4.760 4.840 -0.080 1 1 948 . 4 1 1 A 73 73 VAL C C 73 174.300 174.305 -0.005 1 1 949 . 4 1 1 A 73 73 VAL CA C 73 58.800 59.230 -0.430 1 1 950 . 4 1 1 A 73 73 VAL CB C 73 34.500 34.958 -0.458 1 1 953 . 4 1 1 A 73 73 VAL N N 73 118.200 121.050 -2.850 1 1 954 . 4 1 1 A 74 74 VAL H H 74 8.430 8.196 0.234 1 1 955 . 4 1 1 A 74 74 VAL HA H 74 4.560 4.976 -0.416 1 1 963 . 4 1 1 A 74 74 VAL C C 74 177.300 175.000 2.300 1 1 964 . 4 1 1 A 74 74 VAL CA C 74 62.100 60.281 1.819 1 1 965 . 4 1 1 A 74 74 VAL CB C 74 32.700 33.405 -0.705 1 1 968 . 4 1 1 A 74 74 VAL N N 74 127.800 123.821 3.979 1 1 969 . 4 1 1 A 75 75 GLY H H 75 9.040 8.918 0.122 1 1 970 . 4 1 1 A 75 75 GLY HA2 H 75 3.750 4.322 -0.572 1 1 971 . 4 1 1 A 75 75 GLY HA3 H 75 5.120 4.355 0.765 1 1 972 . 4 1 1 A 75 75 GLY C C 75 172.500 172.016 0.484 1 1 973 . 4 1 1 A 75 75 GLY CA C 75 43.700 43.995 -0.295 1 1 974 . 4 1 1 A 75 75 GLY N N 75 116.000 111.537 4.463 1 1 975 . 4 1 1 A 76 76 GLU H H 76 8.380 8.563 -0.183 1 1 976 . 4 1 1 A 76 76 GLU HA H 76 4.690 4.483 0.207 1 1 981 . 4 1 1 A 76 76 GLU C C 76 176.000 174.820 1.180 1 1 982 . 4 1 1 A 76 76 GLU CA C 76 56.100 55.596 0.504 1 1 983 . 4 1 1 A 76 76 GLU CB C 76 32.000 30.375 1.625 1 1 985 . 4 1 1 A 76 76 GLU N N 76 120.200 122.497 -2.297 1 1 986 . 4 1 1 A 77 77 TYR H H 77 8.430 8.570 -0.140 1 1 987 . 4 1 1 A 77 77 TYR HA H 77 4.570 4.921 -0.351 1 1 994 . 4 1 1 A 77 77 TYR C C 77 174.200 175.444 -1.244 1 1 995 . 4 1 1 A 77 77 TYR CA C 77 56.500 57.037 -0.537 1 1 996 . 4 1 1 A 77 77 TYR CB C 77 39.800 39.824 -0.024 1 1 1001 . 4 1 1 A 77 77 TYR N N 77 124.400 129.462 -5.062 1 1 1002 . 4 1 1 A 78 78 ASN H H 78 9.100 8.795 0.305 1 1 1003 . 4 1 1 A 78 78 ASN HA H 78 4.000 4.351 -0.351 1 1 1008 . 4 1 1 A 78 78 ASN C C 78 177.300 175.142 2.158 1 1 1009 . 4 1 1 A 78 78 ASN CA C 78 54.700 54.821 -0.121 1 1 1010 . 4 1 1 A 78 78 ASN CB C 78 36.600 37.322 -0.722 1 1 1011 . 4 1 1 A 78 78 ASN N N 78 125.800 126.783 -0.983 1 1 1013 . 4 1 1 A 79 79 ASP H H 79 8.640 8.675 -0.035 1 1 1014 . 4 1 1 A 79 79 ASP HA H 79 4.240 4.505 -0.265 1 1 1017 . 4 1 1 A 79 79 ASP C C 79 174.600 175.663 -1.063 1 1 1018 . 4 1 1 A 79 79 ASP CA C 79 54.900 54.880 0.020 1 1 1019 . 4 1 1 A 79 79 ASP CB C 79 39.700 41.925 -2.225 1 1 1020 . 4 1 1 A 79 79 ASP N N 79 115.700 125.762 -10.062 1 1 1021 . 4 1 1 A 80 80 ARG H H 80 7.880 7.404 0.476 1 1 1022 . 4 1 1 A 80 80 ARG HA H 80 4.370 4.830 -0.460 1 1 1030 . 4 1 1 A 80 80 ARG C C 80 175.000 174.935 0.065 1 1 1031 . 4 1 1 A 80 80 ARG CA C 80 54.200 54.614 -0.414 1 1 1032 . 4 1 1 A 80 80 ARG CB C 80 31.800 33.634 -1.834 1 1 1035 . 4 1 1 A 80 80 ARG N N 80 119.700 119.825 -0.125 1 1 1037 . 4 1 1 A 81 81 PHE H H 81 8.410 9.039 -0.629 1 1 1038 . 4 1 1 A 81 81 PHE HA H 81 5.420 5.030 0.390 1 1 1046 . 4 1 1 A 81 81 PHE C C 81 174.400 175.387 -0.987 1 1 1047 . 4 1 1 A 81 81 PHE CA C 81 57.200 57.531 -0.331 1 1 1048 . 4 1 1 A 81 81 PHE CB C 81 42.000 41.186 0.814 1 1 1054 . 4 1 1 A 81 81 PHE N N 81 120.700 123.641 -2.941 1 1 1055 . 4 1 1 A 82 82 GLN H H 82 8.950 9.141 -0.191 1 1 1056 . 4 1 1 A 82 82 GLN HA H 82 5.110 5.016 0.094 1 1 1063 . 4 1 1 A 82 82 GLN C C 82 172.400 173.576 -1.176 1 1 1064 . 4 1 1 A 82 82 GLN CA C 82 53.500 54.377 -0.877 1 1 1065 . 4 1 1 A 82 82 GLN CB C 82 31.900 32.536 -0.636 1 1 1067 . 4 1 1 A 82 82 GLN N N 82 115.000 118.580 -3.580 1 1 1069 . 4 1 1 A 83 83 VAL H H 83 9.090 8.398 0.692 1 1 1070 . 4 1 1 A 83 83 VAL HA H 83 4.380 4.720 -0.340 1 1 1078 . 4 1 1 A 83 83 VAL C C 83 174.600 174.893 -0.293 1 1 1079 . 4 1 1 A 83 83 VAL CA C 83 61.600 61.603 -0.003 1 1 1080 . 4 1 1 A 83 83 VAL CB C 83 33.500 33.346 0.154 1 1 1083 . 4 1 1 A 83 83 VAL N N 83 118.900 122.474 -3.574 1 1 1084 . 4 1 1 A 84 84 GLN H H 84 9.280 8.985 0.295 1 1 1085 . 4 1 1 A 84 84 GLN HA H 84 5.020 5.076 -0.056 1 1 1092 . 4 1 1 A 84 84 GLN C C 84 174.500 174.710 -0.210 1 1 1093 . 4 1 1 A 84 84 GLN CA C 84 54.400 54.986 -0.586 1 1 1094 . 4 1 1 A 84 84 GLN CB C 84 29.900 30.477 -0.577 1 1 1096 . 4 1 1 A 84 84 GLN N N 84 124.800 127.351 -2.551 1 1 1098 . 4 1 1 A 85 85 VAL H H 85 8.680 9.089 -0.409 1 1 1099 . 4 1 1 A 85 85 VAL HA H 85 4.300 4.763 -0.463 1 1 1107 . 4 1 1 A 85 85 VAL C C 85 174.500 175.181 -0.681 1 1 1108 . 4 1 1 A 85 85 VAL CA C 85 61.700 61.614 0.086 1 1 1109 . 4 1 1 A 85 85 VAL CB C 85 31.700 32.892 -1.192 1 1 1112 . 4 1 1 A 85 85 VAL N N 85 125.500 125.536 -0.036 1 1 1113 . 4 1 1 A 86 86 ASN H H 86 8.740 8.453 0.287 1 1 1114 . 4 1 1 A 86 86 ASN HA H 86 5.240 5.251 -0.011 1 1 1119 . 4 1 1 A 86 86 ASN C C 86 175.300 175.990 -0.690 1 1 1120 . 4 1 1 A 86 86 ASN CA C 86 51.800 51.124 0.676 1 1 1121 . 4 1 1 A 86 86 ASN CB C 86 42.400 40.172 2.228 1 1 1122 . 4 1 1 A 86 86 ASN N N 86 124.000 125.312 -1.312 1 1 1124 . 4 1 1 A 87 87 LYS H H 87 8.530 8.770 -0.240 1 1 1125 . 4 1 1 A 87 87 LYS HA H 87 4.210 4.016 0.194 1 1 1134 . 4 1 1 A 87 87 LYS C C 87 176.700 178.480 -1.780 1 1 1135 . 4 1 1 A 87 87 LYS CA C 87 59.000 59.679 -0.679 1 1 1136 . 4 1 1 A 87 87 LYS CB C 87 32.400 32.178 0.222 1 1 1140 . 4 1 1 A 87 87 LYS N N 87 117.600 119.394 -1.794 1 1 1141 . 4 1 1 A 88 88 ASN H H 88 8.600 8.057 0.543 1 1 1142 . 4 1 1 A 88 88 ASN HA H 88 4.810 4.634 0.176 1 1 1147 . 4 1 1 A 88 88 ASN C C 88 175.600 176.049 -0.449 1 1 1148 . 4 1 1 A 88 88 ASN CA C 88 54.100 55.001 -0.901 1 1 1149 . 4 1 1 A 88 88 ASN CB C 88 39.100 38.398 0.702 1 1 1150 . 4 1 1 A 88 88 ASN N N 88 115.500 117.018 -1.518 1 1 1152 . 4 1 1 A 89 89 SER H H 89 8.150 7.778 0.372 1 1 1153 . 4 1 1 A 89 89 SER HA H 89 5.120 4.908 0.212 1 1 1156 . 4 1 1 A 89 89 SER C C 89 172.400 173.959 -1.559 1 1 1157 . 4 1 1 A 89 89 SER CA C 89 58.100 58.584 -0.484 1 1 1158 . 4 1 1 A 89 89 SER CB C 89 64.000 64.845 -0.845 1 1 1159 . 4 1 1 A 89 89 SER N N 89 117.500 116.262 1.238 1 1 1160 . 4 1 1 A 90 90 SER H H 90 8.200 8.682 -0.482 1 1 1161 . 4 1 1 A 90 90 SER HA H 90 4.680 5.280 -0.600 1 1 1164 . 4 1 1 A 90 90 SER C C 90 172.400 173.218 -0.818 1 1 1165 . 4 1 1 A 90 90 SER CA C 90 57.700 56.823 0.877 1 1 1166 . 4 1 1 A 90 90 SER CB C 90 65.700 66.882 -1.182 1 1 1167 . 4 1 1 A 90 90 SER N N 90 113.200 114.363 -1.163 1 1 1168 . 4 1 1 A 91 91 ILE H H 91 8.640 8.635 0.005 1 1 1169 . 4 1 1 A 91 91 ILE HA H 91 5.030 5.153 -0.123 1 1 1179 . 4 1 1 A 91 91 ILE C C 91 175.300 174.419 0.881 1 1 1180 . 4 1 1 A 91 91 ILE CA C 91 60.200 60.298 -0.098 1 1 1181 . 4 1 1 A 91 91 ILE CB C 91 42.200 41.442 0.758 1 1 1185 . 4 1 1 A 91 91 ILE N N 91 119.700 121.015 -1.315 1 1 1186 . 4 1 1 A 92 92 GLU H H 92 8.810 9.017 -0.207 1 1 1187 . 4 1 1 A 92 92 GLU HA H 92 4.710 5.260 -0.550 1 1 1192 . 4 1 1 A 92 92 GLU C C 92 174.700 175.222 -0.522 1 1 1193 . 4 1 1 A 92 92 GLU CA C 92 54.600 54.577 0.023 1 1 1194 . 4 1 1 A 92 92 GLU CB C 92 33.300 33.436 -0.136 1 1 1196 . 4 1 1 A 92 92 GLU N N 92 125.900 128.482 -2.582 1 1 1197 . 4 1 1 A 93 93 LYS H H 93 9.080 8.499 0.581 1 1 1198 . 4 1 1 A 93 93 LYS HA H 93 4.100 4.447 -0.347 1 1 1207 . 4 1 1 A 93 93 LYS C C 93 176.400 176.467 -0.067 1 1 1208 . 4 1 1 A 93 93 LYS CA C 93 57.500 56.387 1.113 1 1 1209 . 4 1 1 A 93 93 LYS CB C 93 32.900 33.376 -0.476 1 1 1213 . 4 1 1 A 93 93 LYS N N 93 127.600 127.949 -0.349 1 1 1214 . 4 1 1 A 94 94 LEU H H 94 8.410 8.208 0.202 1 1 1215 . 4 1 1 A 94 94 LEU HA H 94 4.480 4.623 -0.143 1 1 1224 . 4 1 1 A 94 94 LEU C C 94 177.300 177.374 -0.074 1 1 1225 . 4 1 1 A 94 94 LEU CA C 94 53.900 53.664 0.236 1 1 1226 . 4 1 1 A 94 94 LEU CB C 94 42.900 43.212 -0.312 1 1 1230 . 4 1 1 A 94 94 LEU N N 94 127.300 127.711 -0.411 1 1 1231 . 4 1 1 A 95 95 SER H H 95 8.630 8.907 -0.277 1 1 1232 . 4 1 1 A 95 95 SER HA H 95 4.350 4.411 -0.061 1 1 1235 . 4 1 1 A 95 95 SER C C 95 173.800 174.001 -0.201 1 1 1236 . 4 1 1 A 95 95 SER CA C 95 58.900 59.219 -0.319 1 1 1237 . 4 1 1 A 95 95 SER CB C 95 63.400 63.504 -0.104 1 1 1238 . 4 1 1 A 95 95 SER N N 95 115.700 120.770 -5.070 1 1 1239 . 4 1 1 A 96 96 GLU H H 96 7.230 7.603 -0.373 1 1 1240 . 4 1 1 A 96 96 GLU HA H 96 4.750 4.653 0.097 1 1 1245 . 4 1 1 A 96 96 GLU CA C 96 53.000 53.461 -0.461 1 1 1246 . 4 1 1 A 96 96 GLU CB C 96 30.700 30.269 0.431 1 1 1248 . 4 1 1 A 96 96 GLU N N 96 121.600 120.140 1.460 1 1 1249 . 4 1 1 A 97 97 PRO HA H 97 4.250 4.423 -0.173 1 1 1256 . 4 1 1 A 97 97 PRO CA C 97 62.400 62.925 -0.525 1 1 1257 . 4 1 1 A 97 97 PRO CB C 97 32.600 32.333 0.267 1 1 1260 . 4 1 1 A 98 98 ILE H H 98 7.920 8.368 -0.448 1 1 1261 . 4 1 1 A 98 98 ILE HA H 98 4.070 4.571 -0.501 1 1 1271 . 4 1 1 A 98 98 ILE C C 98 175.400 175.438 -0.038 1 1 1272 . 4 1 1 A 98 98 ILE CA C 98 59.300 60.116 -0.816 1 1 1273 . 4 1 1 A 98 98 ILE CB C 98 38.300 39.257 -0.957 1 1 1277 . 4 1 1 A 98 98 ILE N N 98 122.700 121.738 0.962 1 1 1278 . 4 1 1 A 99 99 GLU H H 99 8.550 8.701 -0.151 1 1 1279 . 4 1 1 A 99 99 GLU HA H 99 4.260 4.656 -0.396 1 1 1284 . 4 1 1 A 99 99 GLU C C 99 175.100 175.653 -0.553 1 1 1285 . 4 1 1 A 99 99 GLU CA C 99 55.500 55.984 -0.484 1 1 1286 . 4 1 1 A 99 99 GLU CB C 99 30.000 30.603 -0.603 1 1 1288 . 4 1 1 A 99 99 GLU N N 99 127.900 127.664 0.236 1 1 1289 . 4 1 1 A 100 100 VAL H H 100 7.970 8.635 -0.665 1 1 1290 . 4 1 1 A 100 100 VAL HA H 100 3.980 4.490 -0.510 1 1 1298 . 4 1 1 A 100 100 VAL C C 100 176.700 175.863 0.837 1 1 1299 . 4 1 1 A 100 100 VAL CA C 100 61.000 61.324 -0.324 1 1 1300 . 4 1 1 A 100 100 VAL CB C 100 33.000 30.879 2.121 1 1 1303 . 4 1 1 A 100 100 VAL N N 100 121.100 123.880 -2.780 1 1 1304 . 4 1 1 A 101 101 GLY H H 101 8.520 8.042 0.478 1 1 1305 . 4 1 1 A 101 101 GLY HA2 H 101 3.830 4.199 -0.369 1 1 1306 . 4 1 1 A 101 101 GLY HA3 H 101 3.980 4.205 -0.225 1 1 1307 . 4 1 1 A 101 101 GLY C C 101 174.200 172.423 1.777 1 1 1308 . 4 1 1 A 101 101 GLY CA C 101 45.800 46.069 -0.269 1 1 1309 . 4 1 1 A 101 101 GLY N N 101 114.000 113.273 0.727 1 1 1310 . 4 1 1 A 102 102 LEU H H 102 8.100 8.238 -0.138 1 1 1311 . 4 1 1 A 102 102 LEU HA H 102 4.170 4.572 -0.402 1 1 1320 . 4 1 1 A 102 102 LEU C C 102 177.700 176.889 0.811 1 1 1321 . 4 1 1 A 102 102 LEU CA C 102 55.500 54.026 1.474 1 1 1322 . 4 1 1 A 102 102 LEU CB C 102 42.600 41.267 1.333 1 1 1326 . 4 1 1 A 102 102 LEU N N 102 121.000 125.910 -4.910 1 1 1327 . 4 1 1 A 103 103 GLU H H 103 8.420 9.076 -0.656 1 1 1328 . 4 1 1 A 103 103 GLU HA H 103 4.090 4.204 -0.114 1 1 1333 . 4 1 1 A 103 103 GLU C C 103 176.400 176.369 0.031 1 1 1334 . 4 1 1 A 103 103 GLU CA C 103 57.100 58.872 -1.772 1 1 1335 . 4 1 1 A 103 103 GLU CB C 103 29.900 30.746 -0.846 1 1 1337 . 4 1 1 A 103 103 GLU N N 103 120.000 127.071 -7.071 1 1 1338 . 4 1 1 A 104 104 HIS H H 104 8.180 7.925 0.255 1 1 1339 . 4 1 1 A 104 104 HIS HA H 104 4.580 4.752 -0.172 1 1 1342 . 4 1 1 A 104 104 HIS C C 104 173.800 174.321 -0.521 1 1 1343 . 4 1 1 A 104 104 HIS CA C 104 55.700 54.676 1.024 1 1 1344 . 4 1 1 A 104 104 HIS CB C 104 30.000 31.606 -1.606 1 1 1345 . 4 1 1 A 104 104 HIS N N 104 119.000 111.922 7.078 1 1 1346 . 4 1 1 A 105 105 HIS H H 105 8.160 9.350 -1.190 1 1 1347 . 4 1 1 A 105 105 HIS HA H 105 4.380 4.069 0.311 1 1 1350 . 4 1 1 A 105 105 HIS CA C 105 57.200 59.137 -1.937 1 1 1351 . 4 1 1 A 105 105 HIS CB C 105 30.000 30.054 -0.054 1 1 1 . 5 1 1 A 3 3 PRO HA H 3 4.430 4.613 -0.183 1 1 8 . 5 1 1 A 3 3 PRO C C 3 175.600 176.201 -0.601 1 1 9 . 5 1 1 A 3 3 PRO CA C 3 62.510 62.440 0.070 1 1 10 . 5 1 1 A 3 3 PRO CB C 3 32.000 32.386 -0.386 1 1 13 . 5 1 1 A 4 4 GLN H H 4 8.580 8.458 0.122 1 1 14 . 5 1 1 A 4 4 GLN HA H 4 4.260 4.577 -0.317 1 1 21 . 5 1 1 A 4 4 GLN C C 4 176.900 175.053 1.847 1 1 22 . 5 1 1 A 4 4 GLN CA C 4 55.700 55.396 0.304 1 1 23 . 5 1 1 A 4 4 GLN CB C 4 29.200 29.392 -0.192 1 1 25 . 5 1 1 A 4 4 GLN N N 4 120.000 121.231 -1.231 1 1 27 . 5 1 1 A 5 5 LEU H H 5 8.920 9.135 -0.215 1 1 28 . 5 1 1 A 5 5 LEU HA H 5 4.660 5.386 -0.726 1 1 38 . 5 1 1 A 5 5 LEU C C 5 176.900 176.135 0.765 1 1 39 . 5 1 1 A 5 5 LEU CA C 5 54.700 53.688 1.012 1 1 40 . 5 1 1 A 5 5 LEU CB C 5 43.000 43.457 -0.457 1 1 44 . 5 1 1 A 5 5 LEU N N 5 128.500 129.565 -1.065 1 1 45 . 5 1 1 A 6 6 THR H H 6 8.750 8.888 -0.138 1 1 46 . 5 1 1 A 6 6 THR HA H 6 4.530 5.017 -0.487 1 1 51 . 5 1 1 A 6 6 THR C C 6 173.700 173.382 0.318 1 1 52 . 5 1 1 A 6 6 THR CA C 6 61.600 60.861 0.739 1 1 53 . 5 1 1 A 6 6 THR CB C 6 72.000 72.709 -0.709 1 1 55 . 5 1 1 A 6 6 THR N N 6 121.000 120.707 0.293 1 1 56 . 5 1 1 A 7 7 LYS H H 7 9.080 8.738 0.342 1 1 57 . 5 1 1 A 7 7 LYS HA H 7 4.430 4.512 -0.082 1 1 66 . 5 1 1 A 7 7 LYS C C 7 178.600 178.146 0.454 1 1 67 . 5 1 1 A 7 7 LYS CA C 7 54.300 54.469 -0.169 1 1 68 . 5 1 1 A 7 7 LYS CB C 7 32.300 34.206 -1.906 1 1 72 . 5 1 1 A 7 7 LYS N N 7 126.300 123.790 2.510 1 1 73 . 5 1 1 A 8 8 ILE H H 8 9.870 8.431 1.439 1 1 74 . 5 1 1 A 8 8 ILE HA H 8 3.240 3.766 -0.526 1 1 82 . 5 1 1 A 8 8 ILE C C 8 178.700 177.852 0.848 1 1 83 . 5 1 1 A 8 8 ILE CA C 8 66.800 65.353 1.447 1 1 84 . 5 1 1 A 8 8 ILE CB C 8 36.400 37.473 -1.073 1 1 87 . 5 1 1 A 8 8 ILE N N 8 124.700 122.519 2.181 1 1 88 . 5 1 1 A 9 9 VAL H H 9 8.340 7.983 0.357 1 1 89 . 5 1 1 A 9 9 VAL HA H 9 3.930 3.884 0.046 1 1 97 . 5 1 1 A 9 9 VAL C C 9 178.700 176.760 1.940 1 1 98 . 5 1 1 A 9 9 VAL CA C 9 63.300 64.169 -0.869 1 1 99 . 5 1 1 A 9 9 VAL CB C 9 31.700 31.524 0.176 1 1 102 . 5 1 1 A 9 9 VAL N N 9 119.500 120.449 -0.949 1 1 103 . 5 1 1 A 10 10 ASP H H 10 7.510 8.036 -0.526 1 1 104 . 5 1 1 A 10 10 ASP HA H 10 4.730 4.676 0.054 1 1 107 . 5 1 1 A 10 10 ASP C C 10 174.500 176.144 -1.644 1 1 108 . 5 1 1 A 10 10 ASP CA C 10 54.400 53.113 1.287 1 1 109 . 5 1 1 A 10 10 ASP CB C 10 41.100 40.978 0.122 1 1 110 . 5 1 1 A 10 10 ASP N N 10 119.100 119.937 -0.837 1 1 111 . 5 1 1 A 11 11 ILE H H 11 7.460 7.439 0.021 1 1 112 . 5 1 1 A 11 11 ILE HA H 11 3.800 4.039 -0.239 1 1 122 . 5 1 1 A 11 11 ILE C C 11 174.900 176.324 -1.424 1 1 123 . 5 1 1 A 11 11 ILE CA C 11 62.100 60.669 1.431 1 1 124 . 5 1 1 A 11 11 ILE CB C 11 35.300 37.963 -2.663 1 1 128 . 5 1 1 A 11 11 ILE N N 11 124.200 121.489 2.711 1 1 129 . 5 1 1 A 12 12 VAL H H 12 8.530 8.586 -0.056 1 1 130 . 5 1 1 A 12 12 VAL HA H 12 4.260 4.177 0.083 1 1 138 . 5 1 1 A 12 12 VAL C C 12 174.900 175.190 -0.290 1 1 139 . 5 1 1 A 12 12 VAL CA C 12 60.600 61.116 -0.516 1 1 140 . 5 1 1 A 12 12 VAL CB C 12 35.400 34.005 1.395 1 1 143 . 5 1 1 A 12 12 VAL N N 12 118.400 119.047 -0.647 1 1 144 . 5 1 1 A 13 13 GLU H H 13 7.430 7.400 0.030 1 1 145 . 5 1 1 A 13 13 GLU HA H 13 4.590 5.137 -0.547 1 1 150 . 5 1 1 A 13 13 GLU C C 13 173.800 174.618 -0.818 1 1 151 . 5 1 1 A 13 13 GLU CA C 13 54.800 54.702 0.098 1 1 152 . 5 1 1 A 13 13 GLU CB C 13 33.160 33.363 -0.203 1 1 154 . 5 1 1 A 13 13 GLU N N 13 120.100 122.825 -2.725 1 1 155 . 5 1 1 A 14 14 ASN H H 14 8.800 8.865 -0.065 1 1 156 . 5 1 1 A 14 14 ASN HA H 14 4.110 5.170 -1.060 1 1 161 . 5 1 1 A 14 14 ASN C C 14 176.600 175.613 0.987 1 1 162 . 5 1 1 A 14 14 ASN CA C 14 54.600 52.226 2.374 1 1 163 . 5 1 1 A 14 14 ASN CB C 14 38.900 39.692 -0.792 1 1 164 . 5 1 1 A 14 14 ASN N N 14 121.500 123.716 -2.216 1 1 166 . 5 1 1 A 15 15 GLY H H 15 8.620 9.334 -0.714 1 1 167 . 5 1 1 A 15 15 GLY HA2 H 15 3.460 3.717 -0.257 1 1 168 . 5 1 1 A 15 15 GLY HA3 H 15 4.110 3.803 0.307 1 1 169 . 5 1 1 A 15 15 GLY C C 15 173.100 173.714 -0.614 1 1 170 . 5 1 1 A 15 15 GLY CA C 15 45.300 45.668 -0.368 1 1 171 . 5 1 1 A 15 15 GLY N N 15 114.900 110.412 4.488 1 1 172 . 5 1 1 A 16 16 GLN H H 16 7.280 7.814 -0.534 1 1 173 . 5 1 1 A 16 16 GLN HA H 16 4.160 4.643 -0.483 1 1 180 . 5 1 1 A 16 16 GLN C C 16 174.400 174.525 -0.125 1 1 181 . 5 1 1 A 16 16 GLN CA C 16 56.300 54.681 1.619 1 1 182 . 5 1 1 A 16 16 GLN CB C 16 30.300 30.977 -0.677 1 1 184 . 5 1 1 A 16 16 GLN N N 16 121.500 117.493 4.007 1 1 186 . 5 1 1 A 17 17 TRP H H 17 8.640 8.841 -0.201 1 1 187 . 5 1 1 A 17 17 TRP HA H 17 5.400 5.568 -0.168 1 1 196 . 5 1 1 A 17 17 TRP C C 17 176.900 176.121 0.779 1 1 197 . 5 1 1 A 17 17 TRP CA C 17 56.400 56.426 -0.026 1 1 198 . 5 1 1 A 17 17 TRP CB C 17 30.300 31.007 -0.707 1 1 204 . 5 1 1 A 17 17 TRP N N 17 125.500 121.220 4.280 1 1 206 . 5 1 1 A 18 18 ALA H H 18 9.020 8.638 0.382 1 1 207 . 5 1 1 A 18 18 ALA HA H 18 4.650 4.909 -0.259 1 1 211 . 5 1 1 A 18 18 ALA C C 18 174.100 175.225 -1.125 1 1 212 . 5 1 1 A 18 18 ALA CA C 18 51.430 51.371 0.059 1 1 213 . 5 1 1 A 18 18 ALA CB C 18 22.600 23.786 -1.186 1 1 214 . 5 1 1 A 18 18 ALA N N 18 124.000 122.904 1.096 1 1 215 . 5 1 1 A 19 19 ASN H H 19 8.250 8.364 -0.114 1 1 216 . 5 1 1 A 19 19 ASN HA H 19 5.710 5.691 0.019 1 1 221 . 5 1 1 A 19 19 ASN C C 19 173.500 173.814 -0.314 1 1 222 . 5 1 1 A 19 19 ASN CA C 19 51.600 52.217 -0.617 1 1 223 . 5 1 1 A 19 19 ASN CB C 19 40.100 42.774 -2.674 1 1 224 . 5 1 1 A 19 19 ASN N N 19 116.500 116.147 0.353 1 1 226 . 5 1 1 A 20 20 LEU H H 20 9.280 8.321 0.959 1 1 227 . 5 1 1 A 20 20 LEU HA H 20 4.930 4.905 0.025 1 1 236 . 5 1 1 A 20 20 LEU C C 20 174.800 173.942 0.858 1 1 237 . 5 1 1 A 20 20 LEU CA C 20 54.200 54.073 0.127 1 1 238 . 5 1 1 A 20 20 LEU CB C 20 46.300 46.088 0.212 1 1 241 . 5 1 1 A 20 20 LEU N N 20 121.800 123.151 -1.351 1 1 242 . 5 1 1 A 21 21 LYS H H 21 8.550 8.842 -0.292 1 1 243 . 5 1 1 A 21 21 LYS HA H 21 5.450 5.016 0.434 1 1 252 . 5 1 1 A 21 21 LYS C C 21 174.800 175.618 -0.818 1 1 253 . 5 1 1 A 21 21 LYS CA C 21 55.350 55.524 -0.174 1 1 254 . 5 1 1 A 21 21 LYS CB C 21 34.300 33.606 0.694 1 1 258 . 5 1 1 A 21 21 LYS N N 21 122.500 126.541 -4.041 1 1 259 . 5 1 1 A 22 22 ALA H H 22 9.090 8.441 0.649 1 1 260 . 5 1 1 A 22 22 ALA HA H 22 4.830 4.945 -0.115 1 1 264 . 5 1 1 A 22 22 ALA C C 22 173.800 174.931 -1.131 1 1 265 . 5 1 1 A 22 22 ALA CA C 22 51.300 50.794 0.506 1 1 266 . 5 1 1 A 22 22 ALA CB C 22 24.700 23.659 1.041 1 1 267 . 5 1 1 A 22 22 ALA N N 22 123.200 127.646 -4.446 1 1 268 . 5 1 1 A 23 23 LYS H H 23 9.190 8.326 0.864 1 1 269 . 5 1 1 A 23 23 LYS HA H 23 5.080 4.723 0.357 1 1 276 . 5 1 1 A 23 23 LYS C C 23 176.900 175.717 1.183 1 1 277 . 5 1 1 A 23 23 LYS CA C 23 54.100 54.871 -0.771 1 1 278 . 5 1 1 A 23 23 LYS CB C 23 35.800 33.827 1.973 1 1 281 . 5 1 1 A 23 23 LYS N N 23 121.100 121.477 -0.377 1 1 282 . 5 1 1 A 24 24 VAL H H 24 8.620 8.561 0.059 1 1 283 . 5 1 1 A 24 24 VAL HA H 24 4.110 4.225 -0.115 1 1 291 . 5 1 1 A 24 24 VAL C C 24 175.800 175.611 0.189 1 1 292 . 5 1 1 A 24 24 VAL CA C 24 62.750 62.873 -0.123 1 1 293 . 5 1 1 A 24 24 VAL CB C 24 30.500 31.058 -0.558 1 1 296 . 5 1 1 A 24 24 VAL N N 24 125.600 126.101 -0.501 1 1 297 . 5 1 1 A 25 25 ILE H H 25 8.430 8.346 0.084 1 1 298 . 5 1 1 A 25 25 ILE HA H 25 4.210 4.084 0.126 1 1 308 . 5 1 1 A 25 25 ILE C C 25 176.700 175.923 0.777 1 1 309 . 5 1 1 A 25 25 ILE CA C 25 62.100 62.824 -0.724 1 1 310 . 5 1 1 A 25 25 ILE CB C 25 38.300 38.728 -0.428 1 1 314 . 5 1 1 A 25 25 ILE N N 25 127.400 129.246 -1.846 1 1 315 . 5 1 1 A 26 26 GLN H H 26 7.590 7.603 -0.013 1 1 316 . 5 1 1 A 26 26 GLN HA H 26 4.560 4.754 -0.194 1 1 323 . 5 1 1 A 26 26 GLN C C 26 173.700 173.706 -0.006 1 1 324 . 5 1 1 A 26 26 GLN CA C 26 55.400 55.463 -0.063 1 1 325 . 5 1 1 A 26 26 GLN CB C 26 34.100 31.897 2.203 1 1 327 . 5 1 1 A 26 26 GLN N N 26 117.100 118.061 -0.961 1 1 329 . 5 1 1 A 27 27 LEU H H 27 8.470 8.719 -0.249 1 1 330 . 5 1 1 A 27 27 LEU HA H 27 4.710 5.138 -0.428 1 1 340 . 5 1 1 A 27 27 LEU C C 27 176.200 175.704 0.496 1 1 341 . 5 1 1 A 27 27 LEU CA C 27 54.100 53.721 0.379 1 1 342 . 5 1 1 A 27 27 LEU CB C 27 44.000 46.811 -2.811 1 1 346 . 5 1 1 A 27 27 LEU N N 27 123.600 123.814 -0.214 1 1 347 . 5 1 1 A 28 28 TRP H H 28 8.850 8.588 0.262 1 1 348 . 5 1 1 A 28 28 TRP HA H 28 5.180 5.129 0.051 1 1 357 . 5 1 1 A 28 28 TRP C C 28 175.900 174.408 1.492 1 1 358 . 5 1 1 A 28 28 TRP CA C 28 53.300 56.321 -3.021 1 1 359 . 5 1 1 A 28 28 TRP CB C 28 31.400 32.639 -1.239 1 1 365 . 5 1 1 A 28 28 TRP N N 28 123.900 125.330 -1.430 1 1 367 . 5 1 1 A 29 29 GLU H H 29 8.620 8.438 0.182 1 1 368 . 5 1 1 A 29 29 GLU HA H 29 4.250 4.379 -0.129 1 1 373 . 5 1 1 A 29 29 GLU C C 29 175.700 175.156 0.544 1 1 374 . 5 1 1 A 29 29 GLU CA C 29 56.800 56.702 0.098 1 1 375 . 5 1 1 A 29 29 GLU CB C 29 30.000 30.374 -0.374 1 1 377 . 5 1 1 A 29 29 GLU N N 29 120.700 129.024 -8.324 1 1 378 . 5 1 1 A 30 30 ASN H H 30 8.720 8.162 0.558 1 1 379 . 5 1 1 A 30 30 ASN HA H 30 4.870 5.236 -0.366 1 1 384 . 5 1 1 A 30 30 ASN C C 30 174.800 175.137 -0.337 1 1 385 . 5 1 1 A 30 30 ASN CA C 30 53.800 51.766 2.034 1 1 386 . 5 1 1 A 30 30 ASN CB C 30 41.200 41.708 -0.508 1 1 387 . 5 1 1 A 30 30 ASN N N 30 121.400 124.829 -3.429 1 1 389 . 5 1 1 A 31 31 THR H H 31 8.300 8.464 -0.164 1 1 390 . 5 1 1 A 31 31 THR HA H 31 4.430 4.619 -0.189 1 1 395 . 5 1 1 A 31 31 THR C C 31 174.200 175.318 -1.118 1 1 396 . 5 1 1 A 31 31 THR CA C 31 61.000 61.693 -0.693 1 1 397 . 5 1 1 A 31 31 THR CB C 31 69.600 68.887 0.713 1 1 399 . 5 1 1 A 31 31 THR N N 31 114.200 121.256 -7.056 1 1 400 . 5 1 1 A 32 32 HIS H H 32 7.840 8.169 -0.329 1 1 401 . 5 1 1 A 32 32 HIS HA H 32 4.560 4.465 0.095 1 1 405 . 5 1 1 A 32 32 HIS C C 32 177.300 175.154 2.146 1 1 406 . 5 1 1 A 32 32 HIS CA C 32 57.600 58.316 -0.716 1 1 407 . 5 1 1 A 32 32 HIS CB C 32 32.000 30.005 1.995 1 1 409 . 5 1 1 A 32 32 HIS N N 32 122.500 121.831 0.669 1 1 410 . 5 1 1 A 33 33 GLU H H 33 9.020 8.153 0.867 1 1 411 . 5 1 1 A 33 33 GLU HA H 33 4.120 4.220 -0.100 1 1 416 . 5 1 1 A 33 33 GLU C C 33 177.100 177.112 -0.012 1 1 417 . 5 1 1 A 33 33 GLU CA C 33 59.000 58.618 0.382 1 1 418 . 5 1 1 A 33 33 GLU CB C 33 29.400 29.419 -0.019 1 1 420 . 5 1 1 A 33 33 GLU N N 33 127.300 119.287 8.013 1 1 421 . 5 1 1 A 34 34 SER H H 34 9.430 9.746 -0.316 1 1 422 . 5 1 1 A 34 34 SER HA H 34 4.580 4.423 0.157 1 1 425 . 5 1 1 A 34 34 SER C C 34 174.800 175.107 -0.307 1 1 426 . 5 1 1 A 34 34 SER CA C 34 59.500 61.819 -2.319 1 1 427 . 5 1 1 A 34 34 SER CB C 34 63.600 62.459 1.141 1 1 428 . 5 1 1 A 34 34 SER N N 34 113.400 113.808 -0.408 1 1 429 . 5 1 1 A 35 35 ILE H H 35 7.920 8.144 -0.224 1 1 430 . 5 1 1 A 35 35 ILE HA H 35 4.080 4.223 -0.143 1 1 440 . 5 1 1 A 35 35 ILE C C 35 174.300 175.847 -1.547 1 1 441 . 5 1 1 A 35 35 ILE CA C 35 61.600 60.115 1.485 1 1 442 . 5 1 1 A 35 35 ILE CB C 35 40.700 39.022 1.678 1 1 446 . 5 1 1 A 35 35 ILE N N 35 125.800 121.697 4.103 1 1 447 . 5 1 1 A 36 36 SER H H 36 9.010 8.700 0.310 1 1 448 . 5 1 1 A 36 36 SER HA H 36 4.480 4.493 -0.013 1 1 451 . 5 1 1 A 36 36 SER C C 36 174.900 174.264 0.636 1 1 452 . 5 1 1 A 36 36 SER CA C 36 58.800 59.487 -0.687 1 1 453 . 5 1 1 A 36 36 SER CB C 36 64.300 63.245 1.055 1 1 454 . 5 1 1 A 36 36 SER N N 36 119.100 120.669 -1.569 1 1 455 . 5 1 1 A 37 37 GLN H H 37 7.390 7.180 0.210 1 1 456 . 5 1 1 A 37 37 GLN HA H 37 4.690 4.575 0.115 1 1 463 . 5 1 1 A 37 37 GLN C C 37 171.800 173.228 -1.428 1 1 464 . 5 1 1 A 37 37 GLN CA C 37 54.900 55.130 -0.230 1 1 465 . 5 1 1 A 37 37 GLN CB C 37 36.200 32.028 4.172 1 1 466 . 5 1 1 A 37 37 GLN N N 37 116.500 118.789 -2.289 1 1 468 . 5 1 1 A 38 38 VAL H H 38 8.640 8.328 0.312 1 1 469 . 5 1 1 A 38 38 VAL HA H 38 4.160 4.468 -0.308 1 1 477 . 5 1 1 A 38 38 VAL C C 38 172.400 174.301 -1.901 1 1 478 . 5 1 1 A 38 38 VAL CA C 38 58.500 59.344 -0.844 1 1 479 . 5 1 1 A 38 38 VAL CB C 38 35.300 35.432 -0.132 1 1 482 . 5 1 1 A 38 38 VAL N N 38 120.400 121.934 -1.534 1 1 483 . 5 1 1 A 39 39 GLY H H 39 6.440 7.266 -0.826 1 1 484 . 5 1 1 A 39 39 GLY HA2 H 39 3.690 4.329 -0.639 1 1 485 . 5 1 1 A 39 39 GLY HA3 H 39 1.940 4.466 -2.526 1 1 486 . 5 1 1 A 39 39 GLY C C 39 170.600 171.881 -1.281 1 1 487 . 5 1 1 A 39 39 GLY CA C 39 45.300 46.140 -0.840 1 1 488 . 5 1 1 A 39 39 GLY N N 39 109.600 111.553 -1.953 1 1 489 . 5 1 1 A 40 40 LEU H H 40 8.380 8.374 0.006 1 1 490 . 5 1 1 A 40 40 LEU HA H 40 4.980 5.331 -0.351 1 1 499 . 5 1 1 A 40 40 LEU C C 40 176.000 176.062 -0.062 1 1 500 . 5 1 1 A 40 40 LEU CA C 40 53.200 53.334 -0.134 1 1 501 . 5 1 1 A 40 40 LEU CB C 40 47.400 45.349 2.051 1 1 504 . 5 1 1 A 40 40 LEU N N 40 119.500 122.229 -2.729 1 1 505 . 5 1 1 A 41 41 LEU H H 41 9.410 9.038 0.372 1 1 506 . 5 1 1 A 41 41 LEU HA H 41 5.320 5.188 0.132 1 1 516 . 5 1 1 A 41 41 LEU C C 41 176.700 175.648 1.052 1 1 517 . 5 1 1 A 41 41 LEU CA C 41 52.400 52.900 -0.500 1 1 518 . 5 1 1 A 41 41 LEU CB C 41 44.900 44.282 0.618 1 1 522 . 5 1 1 A 41 41 LEU N N 41 122.700 122.414 0.286 1 1 523 . 5 1 1 A 42 42 GLY H H 42 9.210 9.880 -0.670 1 1 524 . 5 1 1 A 42 42 GLY HA2 H 42 3.550 4.067 -0.517 1 1 525 . 5 1 1 A 42 42 GLY HA3 H 42 5.350 4.071 1.279 1 1 526 . 5 1 1 A 42 42 GLY C C 42 171.200 172.186 -0.986 1 1 527 . 5 1 1 A 42 42 GLY CA C 42 45.700 45.610 0.090 1 1 528 . 5 1 1 A 42 42 GLY N N 42 104.600 112.353 -7.753 1 1 529 . 5 1 1 A 43 43 ASP H H 43 8.960 8.783 0.177 1 1 530 . 5 1 1 A 43 43 ASP HA H 43 4.640 5.012 -0.372 1 1 533 . 5 1 1 A 43 43 ASP C C 43 175.600 176.653 -1.053 1 1 534 . 5 1 1 A 43 43 ASP CA C 43 52.700 53.360 -0.660 1 1 535 . 5 1 1 A 43 43 ASP CB C 43 41.600 42.502 -0.902 1 1 536 . 5 1 1 A 43 43 ASP N N 43 121.900 125.520 -3.620 1 1 537 . 5 1 1 A 44 44 GLU H H 44 10.150 8.953 1.197 1 1 538 . 5 1 1 A 44 44 GLU HA H 44 4.380 4.031 0.349 1 1 543 . 5 1 1 A 44 44 GLU C C 44 176.900 177.574 -0.674 1 1 544 . 5 1 1 A 44 44 GLU CA C 44 59.300 58.810 0.490 1 1 545 . 5 1 1 A 44 44 GLU CB C 44 28.100 29.653 -1.553 1 1 547 . 5 1 1 A 44 44 GLU N N 44 118.000 125.925 -7.925 1 1 548 . 5 1 1 A 45 45 THR H H 45 9.600 7.585 2.015 1 1 549 . 5 1 1 A 45 45 THR HA H 45 4.580 4.516 0.064 1 1 554 . 5 1 1 A 45 45 THR C C 45 174.800 174.090 0.710 1 1 555 . 5 1 1 A 45 45 THR CA C 45 61.700 62.173 -0.473 1 1 556 . 5 1 1 A 45 45 THR CB C 45 70.000 69.614 0.386 1 1 558 . 5 1 1 A 45 45 THR N N 45 112.000 108.134 3.866 1 1 559 . 5 1 1 A 46 46 GLY H H 46 7.640 7.243 0.397 1 1 560 . 5 1 1 A 46 46 GLY HA2 H 46 3.830 4.101 -0.271 1 1 561 . 5 1 1 A 46 46 GLY HA3 H 46 4.000 4.103 -0.103 1 1 562 . 5 1 1 A 46 46 GLY C C 46 169.400 171.422 -2.022 1 1 563 . 5 1 1 A 46 46 GLY CA C 46 46.000 45.567 0.433 1 1 564 . 5 1 1 A 46 46 GLY N N 46 110.600 107.734 2.866 1 1 565 . 5 1 1 A 47 47 ILE H H 47 8.000 8.562 -0.562 1 1 566 . 5 1 1 A 47 47 ILE HA H 47 5.450 5.366 0.084 1 1 576 . 5 1 1 A 47 47 ILE C C 47 175.200 174.212 0.988 1 1 577 . 5 1 1 A 47 47 ILE CA C 47 59.100 58.501 0.599 1 1 578 . 5 1 1 A 47 47 ILE CB C 47 42.400 42.517 -0.117 1 1 582 . 5 1 1 A 47 47 ILE N N 47 113.900 118.301 -4.401 1 1 583 . 5 1 1 A 48 48 ILE H H 48 9.340 8.493 0.847 1 1 584 . 5 1 1 A 48 48 ILE HA H 48 4.640 4.787 -0.147 1 1 594 . 5 1 1 A 48 48 ILE C C 48 171.500 174.298 -2.798 1 1 595 . 5 1 1 A 48 48 ILE CA C 48 60.600 59.327 1.273 1 1 596 . 5 1 1 A 48 48 ILE CB C 48 42.000 41.539 0.461 1 1 600 . 5 1 1 A 48 48 ILE N N 48 123.600 122.087 1.513 1 1 601 . 5 1 1 A 49 49 LYS H H 49 8.350 8.389 -0.039 1 1 602 . 5 1 1 A 49 49 LYS HA H 49 4.820 4.823 -0.003 1 1 611 . 5 1 1 A 49 49 LYS C C 49 174.700 176.148 -1.448 1 1 612 . 5 1 1 A 49 49 LYS CA C 49 56.400 56.450 -0.050 1 1 613 . 5 1 1 A 49 49 LYS CB C 49 33.800 34.611 -0.811 1 1 617 . 5 1 1 A 49 49 LYS N N 49 129.100 126.783 2.317 1 1 618 . 5 1 1 A 50 50 PHE H H 50 8.570 8.281 0.289 1 1 619 . 5 1 1 A 50 50 PHE HA H 50 5.820 5.355 0.465 1 1 627 . 5 1 1 A 50 50 PHE C C 50 172.100 172.183 -0.083 1 1 628 . 5 1 1 A 50 50 PHE CA C 50 54.800 56.437 -1.637 1 1 629 . 5 1 1 A 50 50 PHE CB C 50 43.900 41.854 2.046 1 1 635 . 5 1 1 A 50 50 PHE N N 50 122.700 116.953 5.747 1 1 636 . 5 1 1 A 51 51 THR H H 51 8.190 8.453 -0.263 1 1 637 . 5 1 1 A 51 51 THR HA H 51 4.320 4.728 -0.408 1 1 642 . 5 1 1 A 51 51 THR C C 51 172.900 172.595 0.305 1 1 643 . 5 1 1 A 51 51 THR CA C 51 61.700 59.646 2.054 1 1 644 . 5 1 1 A 51 51 THR CB C 51 72.500 70.875 1.625 1 1 646 . 5 1 1 A 51 51 THR N N 51 114.400 113.797 0.603 1 1 647 . 5 1 1 A 52 52 ILE H H 52 8.880 8.975 -0.095 1 1 648 . 5 1 1 A 52 52 ILE HA H 52 4.650 4.586 0.064 1 1 658 . 5 1 1 A 52 52 ILE C C 52 176.000 175.046 0.954 1 1 659 . 5 1 1 A 52 52 ILE CA C 52 60.500 60.192 0.308 1 1 660 . 5 1 1 A 52 52 ILE CB C 52 38.900 39.633 -0.733 1 1 664 . 5 1 1 A 52 52 ILE N N 52 123.400 127.196 -3.796 1 1 665 . 5 1 1 A 53 53 TRP H H 53 8.020 8.566 -0.546 1 1 666 . 5 1 1 A 53 53 TRP HA H 53 4.740 4.792 -0.052 1 1 675 . 5 1 1 A 53 53 TRP C C 53 177.500 177.398 0.102 1 1 676 . 5 1 1 A 53 53 TRP CA C 53 57.700 57.367 0.333 1 1 677 . 5 1 1 A 53 53 TRP CB C 53 30.400 30.242 0.158 1 1 683 . 5 1 1 A 53 53 TRP N N 53 129.500 128.512 0.988 1 1 685 . 5 1 1 A 54 54 LYS H H 54 8.980 8.959 0.021 1 1 686 . 5 1 1 A 54 54 LYS HA H 54 4.100 3.976 0.124 1 1 695 . 5 1 1 A 54 54 LYS C C 54 177.700 178.035 -0.335 1 1 696 . 5 1 1 A 54 54 LYS CA C 54 59.400 60.190 -0.790 1 1 697 . 5 1 1 A 54 54 LYS CB C 54 32.400 32.239 0.161 1 1 701 . 5 1 1 A 54 54 LYS N N 54 125.500 125.110 0.390 1 1 702 . 5 1 1 A 55 55 ASN H H 55 8.600 8.456 0.144 1 1 703 . 5 1 1 A 55 55 ASN HA H 55 4.510 4.628 -0.118 1 1 708 . 5 1 1 A 55 55 ASN C C 55 175.300 176.703 -1.403 1 1 709 . 5 1 1 A 55 55 ASN CA C 55 53.700 55.334 -1.634 1 1 710 . 5 1 1 A 55 55 ASN CB C 55 37.100 38.567 -1.467 1 1 711 . 5 1 1 A 55 55 ASN N N 55 115.400 117.844 -2.444 1 1 713 . 5 1 1 A 56 56 ALA H H 56 7.630 7.808 -0.178 1 1 714 . 5 1 1 A 56 56 ALA HA H 56 3.970 4.349 -0.379 1 1 718 . 5 1 1 A 56 56 ALA C C 56 176.100 176.953 -0.853 1 1 719 . 5 1 1 A 56 56 ALA CA C 56 53.500 52.824 0.676 1 1 720 . 5 1 1 A 56 56 ALA CB C 56 18.400 19.680 -1.280 1 1 721 . 5 1 1 A 56 56 ALA N N 56 121.200 120.723 0.477 1 1 722 . 5 1 1 A 57 57 GLU H H 57 7.880 8.141 -0.261 1 1 723 . 5 1 1 A 57 57 GLU HA H 57 3.940 3.850 0.090 1 1 728 . 5 1 1 A 57 57 GLU C C 57 175.400 174.965 0.435 1 1 729 . 5 1 1 A 57 57 GLU CA C 57 56.700 57.347 -0.647 1 1 730 . 5 1 1 A 57 57 GLU CB C 57 27.300 27.203 0.097 1 1 732 . 5 1 1 A 57 57 GLU N N 57 112.500 114.823 -2.323 1 1 733 . 5 1 1 A 58 58 LEU H H 58 7.910 7.795 0.115 1 1 734 . 5 1 1 A 58 58 LEU HA H 58 4.740 4.774 -0.034 1 1 744 . 5 1 1 A 58 58 LEU C C 58 175.400 174.482 0.918 1 1 745 . 5 1 1 A 58 58 LEU CA C 58 52.300 52.166 0.134 1 1 746 . 5 1 1 A 58 58 LEU CB C 58 42.900 42.251 0.649 1 1 750 . 5 1 1 A 58 58 LEU N N 58 120.000 120.199 -0.199 1 1 751 . 5 1 1 A 59 59 PRO HA H 59 4.380 4.492 -0.112 1 1 758 . 5 1 1 A 59 59 PRO CA C 59 62.200 62.640 -0.440 1 1 759 . 5 1 1 A 59 59 PRO CB C 59 32.000 31.857 0.143 1 1 762 . 5 1 1 A 60 60 LEU H H 60 7.860 8.292 -0.432 1 1 763 . 5 1 1 A 60 60 LEU HA H 60 3.920 4.450 -0.530 1 1 773 . 5 1 1 A 60 60 LEU C C 60 178.300 177.207 1.093 1 1 774 . 5 1 1 A 60 60 LEU CA C 60 55.000 54.718 0.282 1 1 775 . 5 1 1 A 60 60 LEU CB C 60 41.800 42.525 -0.725 1 1 779 . 5 1 1 A 60 60 LEU N N 60 117.500 123.589 -6.089 1 1 780 . 5 1 1 A 61 61 LEU H H 61 9.680 7.919 1.761 1 1 781 . 5 1 1 A 61 61 LEU HA H 61 4.040 4.015 0.025 1 1 791 . 5 1 1 A 61 61 LEU C C 61 177.300 176.734 0.566 1 1 792 . 5 1 1 A 61 61 LEU CA C 61 54.100 54.304 -0.204 1 1 793 . 5 1 1 A 61 61 LEU CB C 61 41.300 41.968 -0.668 1 1 797 . 5 1 1 A 61 61 LEU N N 61 122.300 124.093 -1.793 1 1 798 . 5 1 1 A 62 62 GLU H H 62 8.390 8.546 -0.156 1 1 799 . 5 1 1 A 62 62 GLU HA H 62 4.430 4.768 -0.338 1 1 804 . 5 1 1 A 62 62 GLU C C 62 175.600 175.990 -0.390 1 1 805 . 5 1 1 A 62 62 GLU CA C 62 54.800 54.662 0.138 1 1 806 . 5 1 1 A 62 62 GLU CB C 62 32.200 31.962 0.238 1 1 808 . 5 1 1 A 62 62 GLU N N 62 120.500 121.850 -1.350 1 1 809 . 5 1 1 A 63 63 GLN H H 63 8.780 8.765 0.015 1 1 810 . 5 1 1 A 63 63 GLN HA H 63 3.700 4.031 -0.331 1 1 817 . 5 1 1 A 63 63 GLN C C 63 176.600 176.809 -0.209 1 1 818 . 5 1 1 A 63 63 GLN CA C 63 58.100 57.654 0.446 1 1 819 . 5 1 1 A 63 63 GLN CB C 63 28.300 28.494 -0.194 1 1 821 . 5 1 1 A 63 63 GLN N N 63 123.300 123.546 -0.246 1 1 823 . 5 1 1 A 64 64 GLY H H 64 9.140 8.830 0.310 1 1 824 . 5 1 1 A 64 64 GLY HA2 H 64 3.580 3.979 -0.399 1 1 825 . 5 1 1 A 64 64 GLY HA3 H 64 4.390 3.981 0.409 1 1 826 . 5 1 1 A 64 64 GLY C C 64 173.900 174.390 -0.490 1 1 827 . 5 1 1 A 64 64 GLY CA C 64 45.300 44.926 0.374 1 1 828 . 5 1 1 A 64 64 GLY N N 64 115.100 114.891 0.209 1 1 829 . 5 1 1 A 65 65 GLU H H 65 7.590 7.590 0.000 1 1 830 . 5 1 1 A 65 65 GLU HA H 65 4.490 4.585 -0.095 1 1 835 . 5 1 1 A 65 65 GLU C C 65 174.200 175.855 -1.655 1 1 836 . 5 1 1 A 65 65 GLU CA C 65 54.900 54.751 0.149 1 1 837 . 5 1 1 A 65 65 GLU CB C 65 30.500 31.241 -0.741 1 1 839 . 5 1 1 A 65 65 GLU N N 65 120.300 120.580 -0.280 1 1 840 . 5 1 1 A 66 66 SER H H 66 8.700 8.386 0.314 1 1 841 . 5 1 1 A 66 66 SER HA H 66 5.330 5.210 0.120 1 1 844 . 5 1 1 A 66 66 SER C C 66 174.100 172.982 1.118 1 1 845 . 5 1 1 A 66 66 SER CA C 66 58.300 56.424 1.876 1 1 846 . 5 1 1 A 66 66 SER CB C 66 65.500 65.105 0.395 1 1 847 . 5 1 1 A 66 66 SER N N 66 116.500 113.898 2.602 1 1 848 . 5 1 1 A 67 67 TYR H H 67 9.090 8.727 0.363 1 1 849 . 5 1 1 A 67 67 TYR HA H 67 5.110 5.113 -0.003 1 1 856 . 5 1 1 A 67 67 TYR C C 67 173.900 174.581 -0.681 1 1 857 . 5 1 1 A 67 67 TYR CA C 67 57.500 56.283 1.217 1 1 858 . 5 1 1 A 67 67 TYR CB C 67 43.900 43.284 0.616 1 1 863 . 5 1 1 A 67 67 TYR N N 67 119.000 120.382 -1.382 1 1 864 . 5 1 1 A 68 68 LEU H H 68 9.230 9.248 -0.018 1 1 865 . 5 1 1 A 68 68 LEU HA H 68 5.000 5.034 -0.034 1 1 875 . 5 1 1 A 68 68 LEU C C 68 175.300 174.458 0.842 1 1 876 . 5 1 1 A 68 68 LEU CA C 68 54.300 53.961 0.339 1 1 877 . 5 1 1 A 68 68 LEU CB C 68 43.800 45.068 -1.268 1 1 881 . 5 1 1 A 68 68 LEU N N 68 121.800 123.677 -1.877 1 1 882 . 5 1 1 A 69 69 LEU H H 69 9.460 8.811 0.649 1 1 883 . 5 1 1 A 69 69 LEU HA H 69 5.010 5.003 0.007 1 1 893 . 5 1 1 A 69 69 LEU C C 69 175.000 175.687 -0.687 1 1 894 . 5 1 1 A 69 69 LEU CA C 69 54.100 53.822 0.278 1 1 895 . 5 1 1 A 69 69 LEU CB C 69 42.300 42.687 -0.387 1 1 899 . 5 1 1 A 69 69 LEU N N 69 128.500 128.288 0.212 1 1 900 . 5 1 1 A 70 70 ARG H H 70 8.910 8.474 0.436 1 1 901 . 5 1 1 A 70 70 ARG HA H 70 4.850 4.835 0.015 1 1 909 . 5 1 1 A 70 70 ARG C C 70 176.400 176.702 -0.302 1 1 910 . 5 1 1 A 70 70 ARG CA C 70 54.900 54.675 0.225 1 1 911 . 5 1 1 A 70 70 ARG CB C 70 32.300 33.098 -0.798 1 1 914 . 5 1 1 A 70 70 ARG N N 70 121.500 124.435 -2.935 1 1 916 . 5 1 1 A 71 71 SER H H 71 8.800 9.637 -0.837 1 1 917 . 5 1 1 A 71 71 SER HA H 71 3.870 4.315 -0.445 1 1 920 . 5 1 1 A 71 71 SER C C 71 175.800 173.895 1.905 1 1 921 . 5 1 1 A 71 71 SER CA C 71 58.600 59.149 -0.549 1 1 922 . 5 1 1 A 71 71 SER CB C 71 62.000 60.932 1.068 1 1 923 . 5 1 1 A 71 71 SER N N 71 114.400 118.749 -4.349 1 1 924 . 5 1 1 A 72 72 VAL H H 72 8.750 7.536 1.214 1 1 925 . 5 1 1 A 72 72 VAL HA H 72 4.610 5.126 -0.516 1 1 933 . 5 1 1 A 72 72 VAL C C 72 173.300 174.058 -0.758 1 1 934 . 5 1 1 A 72 72 VAL CA C 72 59.300 59.536 -0.236 1 1 935 . 5 1 1 A 72 72 VAL CB C 72 31.900 34.661 -2.761 1 1 938 . 5 1 1 A 72 72 VAL N N 72 115.500 117.538 -2.038 1 1 939 . 5 1 1 A 73 73 VAL H H 73 7.940 8.406 -0.466 1 1 940 . 5 1 1 A 73 73 VAL HA H 73 4.760 4.699 0.061 1 1 948 . 5 1 1 A 73 73 VAL C C 73 174.300 173.370 0.930 1 1 949 . 5 1 1 A 73 73 VAL CA C 73 58.800 59.344 -0.544 1 1 950 . 5 1 1 A 73 73 VAL CB C 73 34.500 34.889 -0.389 1 1 953 . 5 1 1 A 73 73 VAL N N 73 118.200 121.168 -2.968 1 1 954 . 5 1 1 A 74 74 VAL H H 74 8.430 8.169 0.261 1 1 955 . 5 1 1 A 74 74 VAL HA H 74 4.560 4.977 -0.417 1 1 963 . 5 1 1 A 74 74 VAL C C 74 177.300 175.637 1.663 1 1 964 . 5 1 1 A 74 74 VAL CA C 74 62.100 60.837 1.263 1 1 965 . 5 1 1 A 74 74 VAL CB C 74 32.700 33.531 -0.831 1 1 968 . 5 1 1 A 74 74 VAL N N 74 127.800 126.796 1.004 1 1 969 . 5 1 1 A 75 75 GLY H H 75 9.040 9.369 -0.329 1 1 970 . 5 1 1 A 75 75 GLY HA2 H 75 3.750 4.323 -0.573 1 1 971 . 5 1 1 A 75 75 GLY HA3 H 75 5.120 4.347 0.773 1 1 972 . 5 1 1 A 75 75 GLY C C 75 172.500 171.819 0.681 1 1 973 . 5 1 1 A 75 75 GLY CA C 75 43.700 43.914 -0.214 1 1 974 . 5 1 1 A 75 75 GLY N N 75 116.000 115.359 0.641 1 1 975 . 5 1 1 A 76 76 GLU H H 76 8.380 8.588 -0.208 1 1 976 . 5 1 1 A 76 76 GLU HA H 76 4.690 4.459 0.231 1 1 981 . 5 1 1 A 76 76 GLU C C 76 176.000 174.638 1.362 1 1 982 . 5 1 1 A 76 76 GLU CA C 76 56.100 54.845 1.255 1 1 983 . 5 1 1 A 76 76 GLU CB C 76 32.000 30.381 1.619 1 1 985 . 5 1 1 A 76 76 GLU N N 76 120.200 122.359 -2.159 1 1 986 . 5 1 1 A 77 77 TYR H H 77 8.430 8.889 -0.459 1 1 987 . 5 1 1 A 77 77 TYR HA H 77 4.570 4.869 -0.299 1 1 994 . 5 1 1 A 77 77 TYR C C 77 174.200 175.000 -0.800 1 1 995 . 5 1 1 A 77 77 TYR CA C 77 56.500 57.699 -1.199 1 1 996 . 5 1 1 A 77 77 TYR CB C 77 39.800 40.717 -0.917 1 1 1001 . 5 1 1 A 77 77 TYR N N 77 124.400 129.053 -4.653 1 1 1002 . 5 1 1 A 78 78 ASN H H 78 9.100 9.105 -0.005 1 1 1003 . 5 1 1 A 78 78 ASN HA H 78 4.000 4.143 -0.143 1 1 1008 . 5 1 1 A 78 78 ASN C C 78 177.300 174.665 2.635 1 1 1009 . 5 1 1 A 78 78 ASN CA C 78 54.700 54.346 0.354 1 1 1010 . 5 1 1 A 78 78 ASN CB C 78 36.600 36.310 0.290 1 1 1011 . 5 1 1 A 78 78 ASN N N 78 125.800 125.369 0.431 1 1 1013 . 5 1 1 A 79 79 ASP H H 79 8.640 8.352 0.288 1 1 1014 . 5 1 1 A 79 79 ASP HA H 79 4.240 4.179 0.061 1 1 1017 . 5 1 1 A 79 79 ASP C C 79 174.600 174.541 0.059 1 1 1018 . 5 1 1 A 79 79 ASP CA C 79 54.900 55.432 -0.532 1 1 1019 . 5 1 1 A 79 79 ASP CB C 79 39.700 40.492 -0.792 1 1 1020 . 5 1 1 A 79 79 ASP N N 79 115.700 115.353 0.347 1 1 1021 . 5 1 1 A 80 80 ARG H H 80 7.880 7.623 0.257 1 1 1022 . 5 1 1 A 80 80 ARG HA H 80 4.370 4.604 -0.234 1 1 1030 . 5 1 1 A 80 80 ARG C C 80 175.000 176.159 -1.159 1 1 1031 . 5 1 1 A 80 80 ARG CA C 80 54.200 55.212 -1.012 1 1 1032 . 5 1 1 A 80 80 ARG CB C 80 31.800 31.806 -0.006 1 1 1035 . 5 1 1 A 80 80 ARG N N 80 119.700 120.192 -0.492 1 1 1037 . 5 1 1 A 81 81 PHE H H 81 8.410 8.691 -0.281 1 1 1038 . 5 1 1 A 81 81 PHE HA H 81 5.420 4.787 0.633 1 1 1046 . 5 1 1 A 81 81 PHE C C 81 174.400 175.269 -0.869 1 1 1047 . 5 1 1 A 81 81 PHE CA C 81 57.200 58.938 -1.738 1 1 1048 . 5 1 1 A 81 81 PHE CB C 81 42.000 40.183 1.817 1 1 1054 . 5 1 1 A 81 81 PHE N N 81 120.700 120.683 0.017 1 1 1055 . 5 1 1 A 82 82 GLN H H 82 8.950 8.782 0.168 1 1 1056 . 5 1 1 A 82 82 GLN HA H 82 5.110 4.838 0.272 1 1 1063 . 5 1 1 A 82 82 GLN C C 82 172.400 174.173 -1.773 1 1 1064 . 5 1 1 A 82 82 GLN CA C 82 53.500 54.936 -1.436 1 1 1065 . 5 1 1 A 82 82 GLN CB C 82 31.900 33.065 -1.165 1 1 1067 . 5 1 1 A 82 82 GLN N N 82 115.000 121.096 -6.096 1 1 1069 . 5 1 1 A 83 83 VAL H H 83 9.090 8.526 0.564 1 1 1070 . 5 1 1 A 83 83 VAL HA H 83 4.380 5.080 -0.700 1 1 1078 . 5 1 1 A 83 83 VAL C C 83 174.600 174.760 -0.160 1 1 1079 . 5 1 1 A 83 83 VAL CA C 83 61.600 60.745 0.855 1 1 1080 . 5 1 1 A 83 83 VAL CB C 83 33.500 33.726 -0.226 1 1 1083 . 5 1 1 A 83 83 VAL N N 83 118.900 119.732 -0.832 1 1 1084 . 5 1 1 A 84 84 GLN H H 84 9.280 8.965 0.315 1 1 1085 . 5 1 1 A 84 84 GLN HA H 84 5.020 4.832 0.188 1 1 1092 . 5 1 1 A 84 84 GLN C C 84 174.500 174.673 -0.173 1 1 1093 . 5 1 1 A 84 84 GLN CA C 84 54.400 55.172 -0.772 1 1 1094 . 5 1 1 A 84 84 GLN CB C 84 29.900 30.378 -0.478 1 1 1096 . 5 1 1 A 84 84 GLN N N 84 124.800 126.056 -1.256 1 1 1098 . 5 1 1 A 85 85 VAL H H 85 8.680 8.875 -0.195 1 1 1099 . 5 1 1 A 85 85 VAL HA H 85 4.300 4.784 -0.484 1 1 1107 . 5 1 1 A 85 85 VAL C C 85 174.500 175.053 -0.553 1 1 1108 . 5 1 1 A 85 85 VAL CA C 85 61.700 61.387 0.313 1 1 1109 . 5 1 1 A 85 85 VAL CB C 85 31.700 33.007 -1.307 1 1 1112 . 5 1 1 A 85 85 VAL N N 85 125.500 125.431 0.069 1 1 1113 . 5 1 1 A 86 86 ASN H H 86 8.740 8.648 0.092 1 1 1114 . 5 1 1 A 86 86 ASN HA H 86 5.240 5.292 -0.052 1 1 1119 . 5 1 1 A 86 86 ASN C C 86 175.300 175.940 -0.640 1 1 1120 . 5 1 1 A 86 86 ASN CA C 86 51.800 51.493 0.307 1 1 1121 . 5 1 1 A 86 86 ASN CB C 86 42.400 40.069 2.331 1 1 1122 . 5 1 1 A 86 86 ASN N N 86 124.000 124.604 -0.604 1 1 1124 . 5 1 1 A 87 87 LYS H H 87 8.530 8.694 -0.164 1 1 1125 . 5 1 1 A 87 87 LYS HA H 87 4.210 4.018 0.192 1 1 1134 . 5 1 1 A 87 87 LYS C C 87 176.700 178.317 -1.617 1 1 1135 . 5 1 1 A 87 87 LYS CA C 87 59.000 59.870 -0.870 1 1 1136 . 5 1 1 A 87 87 LYS CB C 87 32.400 32.146 0.254 1 1 1140 . 5 1 1 A 87 87 LYS N N 87 117.600 119.291 -1.691 1 1 1141 . 5 1 1 A 88 88 ASN H H 88 8.600 8.036 0.564 1 1 1142 . 5 1 1 A 88 88 ASN HA H 88 4.810 4.580 0.230 1 1 1147 . 5 1 1 A 88 88 ASN C C 88 175.600 176.224 -0.624 1 1 1148 . 5 1 1 A 88 88 ASN CA C 88 54.100 55.720 -1.620 1 1 1149 . 5 1 1 A 88 88 ASN CB C 88 39.100 38.192 0.908 1 1 1150 . 5 1 1 A 88 88 ASN N N 88 115.500 117.510 -2.010 1 1 1152 . 5 1 1 A 89 89 SER H H 89 8.150 7.988 0.162 1 1 1153 . 5 1 1 A 89 89 SER HA H 89 5.120 4.905 0.215 1 1 1156 . 5 1 1 A 89 89 SER C C 89 172.400 173.919 -1.519 1 1 1157 . 5 1 1 A 89 89 SER CA C 89 58.100 58.600 -0.500 1 1 1158 . 5 1 1 A 89 89 SER CB C 89 64.000 64.850 -0.850 1 1 1159 . 5 1 1 A 89 89 SER N N 89 117.500 116.111 1.389 1 1 1160 . 5 1 1 A 90 90 SER H H 90 8.200 8.592 -0.392 1 1 1161 . 5 1 1 A 90 90 SER HA H 90 4.680 5.280 -0.600 1 1 1164 . 5 1 1 A 90 90 SER C C 90 172.400 173.213 -0.813 1 1 1165 . 5 1 1 A 90 90 SER CA C 90 57.700 56.780 0.920 1 1 1166 . 5 1 1 A 90 90 SER CB C 90 65.700 66.946 -1.246 1 1 1167 . 5 1 1 A 90 90 SER N N 90 113.200 114.356 -1.156 1 1 1168 . 5 1 1 A 91 91 ILE H H 91 8.640 8.634 0.006 1 1 1169 . 5 1 1 A 91 91 ILE HA H 91 5.030 5.185 -0.155 1 1 1179 . 5 1 1 A 91 91 ILE C C 91 175.300 174.542 0.758 1 1 1180 . 5 1 1 A 91 91 ILE CA C 91 60.200 60.288 -0.088 1 1 1181 . 5 1 1 A 91 91 ILE CB C 91 42.200 41.767 0.433 1 1 1185 . 5 1 1 A 91 91 ILE N N 91 119.700 121.188 -1.488 1 1 1186 . 5 1 1 A 92 92 GLU H H 92 8.810 8.639 0.171 1 1 1187 . 5 1 1 A 92 92 GLU HA H 92 4.710 5.095 -0.385 1 1 1192 . 5 1 1 A 92 92 GLU C C 92 174.700 174.804 -0.104 1 1 1193 . 5 1 1 A 92 92 GLU CA C 92 54.600 54.408 0.192 1 1 1194 . 5 1 1 A 92 92 GLU CB C 92 33.300 33.466 -0.166 1 1 1196 . 5 1 1 A 92 92 GLU N N 92 125.900 125.912 -0.012 1 1 1197 . 5 1 1 A 93 93 LYS H H 93 9.080 8.846 0.234 1 1 1198 . 5 1 1 A 93 93 LYS HA H 93 4.100 4.268 -0.168 1 1 1207 . 5 1 1 A 93 93 LYS C C 93 176.400 176.126 0.274 1 1 1208 . 5 1 1 A 93 93 LYS CA C 93 57.500 56.926 0.574 1 1 1209 . 5 1 1 A 93 93 LYS CB C 93 32.900 32.929 -0.029 1 1 1213 . 5 1 1 A 93 93 LYS N N 93 127.600 126.240 1.360 1 1 1214 . 5 1 1 A 94 94 LEU H H 94 8.410 8.220 0.190 1 1 1215 . 5 1 1 A 94 94 LEU HA H 94 4.480 4.534 -0.054 1 1 1224 . 5 1 1 A 94 94 LEU C C 94 177.300 176.667 0.633 1 1 1225 . 5 1 1 A 94 94 LEU CA C 94 53.900 54.345 -0.445 1 1 1226 . 5 1 1 A 94 94 LEU CB C 94 42.900 42.425 0.475 1 1 1230 . 5 1 1 A 94 94 LEU N N 94 127.300 127.820 -0.520 1 1 1231 . 5 1 1 A 95 95 SER H H 95 8.630 7.993 0.637 1 1 1232 . 5 1 1 A 95 95 SER HA H 95 4.350 4.085 0.265 1 1 1235 . 5 1 1 A 95 95 SER C C 95 173.800 173.469 0.331 1 1 1236 . 5 1 1 A 95 95 SER CA C 95 58.900 59.237 -0.337 1 1 1237 . 5 1 1 A 95 95 SER CB C 95 63.400 60.977 2.423 1 1 1238 . 5 1 1 A 95 95 SER N N 95 115.700 114.447 1.253 1 1 1239 . 5 1 1 A 96 96 GLU H H 96 7.230 7.565 -0.335 1 1 1240 . 5 1 1 A 96 96 GLU HA H 96 4.750 4.635 0.115 1 1 1245 . 5 1 1 A 96 96 GLU CA C 96 53.000 52.555 0.445 1 1 1246 . 5 1 1 A 96 96 GLU CB C 96 30.700 30.493 0.207 1 1 1248 . 5 1 1 A 96 96 GLU N N 96 121.600 122.822 -1.222 1 1 1249 . 5 1 1 A 97 97 PRO HA H 97 4.250 4.621 -0.371 1 1 1256 . 5 1 1 A 97 97 PRO CA C 97 62.400 62.460 -0.060 1 1 1257 . 5 1 1 A 97 97 PRO CB C 97 32.600 32.541 0.059 1 1 1260 . 5 1 1 A 98 98 ILE H H 98 7.920 8.449 -0.529 1 1 1261 . 5 1 1 A 98 98 ILE HA H 98 4.070 4.731 -0.661 1 1 1271 . 5 1 1 A 98 98 ILE C C 98 175.400 175.016 0.384 1 1 1272 . 5 1 1 A 98 98 ILE CA C 98 59.300 59.703 -0.403 1 1 1273 . 5 1 1 A 98 98 ILE CB C 98 38.300 40.246 -1.946 1 1 1277 . 5 1 1 A 98 98 ILE N N 98 122.700 121.059 1.641 1 1 1278 . 5 1 1 A 99 99 GLU H H 99 8.550 8.754 -0.204 1 1 1279 . 5 1 1 A 99 99 GLU HA H 99 4.260 4.665 -0.405 1 1 1284 . 5 1 1 A 99 99 GLU C C 99 175.100 177.780 -2.680 1 1 1285 . 5 1 1 A 99 99 GLU CA C 99 55.500 56.016 -0.516 1 1 1286 . 5 1 1 A 99 99 GLU CB C 99 30.000 30.503 -0.503 1 1 1288 . 5 1 1 A 99 99 GLU N N 99 127.900 126.228 1.672 1 1 1289 . 5 1 1 A 100 100 VAL H H 100 7.970 8.567 -0.597 1 1 1290 . 5 1 1 A 100 100 VAL HA H 100 3.980 4.525 -0.545 1 1 1298 . 5 1 1 A 100 100 VAL C C 100 176.700 175.893 0.807 1 1 1299 . 5 1 1 A 100 100 VAL CA C 100 61.000 60.940 0.060 1 1 1300 . 5 1 1 A 100 100 VAL CB C 100 33.000 31.337 1.663 1 1 1303 . 5 1 1 A 100 100 VAL N N 100 121.100 120.813 0.287 1 1 1304 . 5 1 1 A 101 101 GLY H H 101 8.520 7.832 0.688 1 1 1305 . 5 1 1 A 101 101 GLY HA2 H 101 3.830 3.955 -0.125 1 1 1306 . 5 1 1 A 101 101 GLY HA3 H 101 3.980 3.972 0.008 1 1 1307 . 5 1 1 A 101 101 GLY C C 101 174.200 174.380 -0.180 1 1 1308 . 5 1 1 A 101 101 GLY CA C 101 45.800 46.281 -0.481 1 1 1309 . 5 1 1 A 101 101 GLY N N 101 114.000 109.685 4.315 1 1 1310 . 5 1 1 A 102 102 LEU H H 102 8.100 7.705 0.395 1 1 1311 . 5 1 1 A 102 102 LEU HA H 102 4.170 4.583 -0.413 1 1 1320 . 5 1 1 A 102 102 LEU C C 102 177.700 175.960 1.740 1 1 1321 . 5 1 1 A 102 102 LEU CA C 102 55.500 54.460 1.040 1 1 1322 . 5 1 1 A 102 102 LEU CB C 102 42.600 42.012 0.588 1 1 1326 . 5 1 1 A 102 102 LEU N N 102 121.000 122.278 -1.278 1 1 1327 . 5 1 1 A 103 103 GLU H H 103 8.420 8.582 -0.162 1 1 1328 . 5 1 1 A 103 103 GLU HA H 103 4.090 4.558 -0.468 1 1 1333 . 5 1 1 A 103 103 GLU C C 103 176.400 177.112 -0.712 1 1 1334 . 5 1 1 A 103 103 GLU CA C 103 57.100 57.451 -0.351 1 1 1335 . 5 1 1 A 103 103 GLU CB C 103 29.900 32.568 -2.668 1 1 1337 . 5 1 1 A 103 103 GLU N N 103 120.000 128.221 -8.221 1 1 1338 . 5 1 1 A 104 104 HIS H H 104 8.180 8.224 -0.044 1 1 1339 . 5 1 1 A 104 104 HIS HA H 104 4.580 4.708 -0.128 1 1 1342 . 5 1 1 A 104 104 HIS C C 104 173.800 175.835 -2.035 1 1 1343 . 5 1 1 A 104 104 HIS CA C 104 55.700 56.389 -0.689 1 1 1344 . 5 1 1 A 104 104 HIS CB C 104 30.000 29.186 0.814 1 1 1345 . 5 1 1 A 104 104 HIS N N 104 119.000 117.646 1.354 1 1 1346 . 5 1 1 A 105 105 HIS H H 105 8.160 7.828 0.332 1 1 1347 . 5 1 1 A 105 105 HIS HA H 105 4.380 4.145 0.235 1 1 1350 . 5 1 1 A 105 105 HIS CA C 105 57.200 59.681 -2.481 1 1 1351 . 5 1 1 A 105 105 HIS CB C 105 30.000 29.925 0.075 1 1 1 . 6 1 1 A 3 3 PRO HA H 3 4.430 4.615 -0.185 1 1 8 . 6 1 1 A 3 3 PRO C C 3 175.600 176.047 -0.447 1 1 9 . 6 1 1 A 3 3 PRO CA C 3 62.510 62.361 0.149 1 1 10 . 6 1 1 A 3 3 PRO CB C 3 32.000 32.537 -0.537 1 1 13 . 6 1 1 A 4 4 GLN H H 4 8.580 8.529 0.051 1 1 14 . 6 1 1 A 4 4 GLN HA H 4 4.260 4.609 -0.349 1 1 21 . 6 1 1 A 4 4 GLN C C 4 176.900 175.119 1.781 1 1 22 . 6 1 1 A 4 4 GLN CA C 4 55.700 55.912 -0.212 1 1 23 . 6 1 1 A 4 4 GLN CB C 4 29.200 29.184 0.016 1 1 25 . 6 1 1 A 4 4 GLN N N 4 120.000 120.878 -0.878 1 1 27 . 6 1 1 A 5 5 LEU H H 5 8.920 8.883 0.037 1 1 28 . 6 1 1 A 5 5 LEU HA H 5 4.660 4.666 -0.006 1 1 38 . 6 1 1 A 5 5 LEU C C 5 176.900 176.333 0.567 1 1 39 . 6 1 1 A 5 5 LEU CA C 5 54.700 54.433 0.267 1 1 40 . 6 1 1 A 5 5 LEU CB C 5 43.000 43.327 -0.327 1 1 44 . 6 1 1 A 5 5 LEU N N 5 128.500 126.237 2.263 1 1 45 . 6 1 1 A 6 6 THR H H 6 8.750 8.773 -0.023 1 1 46 . 6 1 1 A 6 6 THR HA H 6 4.530 4.929 -0.399 1 1 51 . 6 1 1 A 6 6 THR C C 6 173.700 173.826 -0.126 1 1 52 . 6 1 1 A 6 6 THR CA C 6 61.600 61.678 -0.078 1 1 53 . 6 1 1 A 6 6 THR CB C 6 72.000 70.774 1.226 1 1 55 . 6 1 1 A 6 6 THR N N 6 121.000 121.173 -0.173 1 1 56 . 6 1 1 A 7 7 LYS H H 7 9.080 8.930 0.150 1 1 57 . 6 1 1 A 7 7 LYS HA H 7 4.430 4.575 -0.145 1 1 66 . 6 1 1 A 7 7 LYS C C 7 178.600 178.382 0.218 1 1 67 . 6 1 1 A 7 7 LYS CA C 7 54.300 54.528 -0.228 1 1 68 . 6 1 1 A 7 7 LYS CB C 7 32.300 33.843 -1.543 1 1 72 . 6 1 1 A 7 7 LYS N N 7 126.300 124.462 1.838 1 1 73 . 6 1 1 A 8 8 ILE H H 8 9.870 8.916 0.954 1 1 74 . 6 1 1 A 8 8 ILE HA H 8 3.240 3.738 -0.498 1 1 82 . 6 1 1 A 8 8 ILE C C 8 178.700 177.860 0.840 1 1 83 . 6 1 1 A 8 8 ILE CA C 8 66.800 65.370 1.430 1 1 84 . 6 1 1 A 8 8 ILE CB C 8 36.400 37.771 -1.371 1 1 87 . 6 1 1 A 8 8 ILE N N 8 124.700 122.926 1.774 1 1 88 . 6 1 1 A 9 9 VAL H H 9 8.340 8.034 0.306 1 1 89 . 6 1 1 A 9 9 VAL HA H 9 3.930 3.873 0.057 1 1 97 . 6 1 1 A 9 9 VAL C C 9 178.700 176.822 1.878 1 1 98 . 6 1 1 A 9 9 VAL CA C 9 63.300 64.332 -1.032 1 1 99 . 6 1 1 A 9 9 VAL CB C 9 31.700 31.588 0.112 1 1 102 . 6 1 1 A 9 9 VAL N N 9 119.500 120.667 -1.167 1 1 103 . 6 1 1 A 10 10 ASP H H 10 7.510 7.859 -0.349 1 1 104 . 6 1 1 A 10 10 ASP HA H 10 4.730 4.566 0.164 1 1 107 . 6 1 1 A 10 10 ASP C C 10 174.500 178.368 -3.868 1 1 108 . 6 1 1 A 10 10 ASP CA C 10 54.400 54.348 0.052 1 1 109 . 6 1 1 A 10 10 ASP CB C 10 41.100 40.761 0.339 1 1 110 . 6 1 1 A 10 10 ASP N N 10 119.100 120.745 -1.645 1 1 111 . 6 1 1 A 11 11 ILE H H 11 7.460 7.452 0.008 1 1 112 . 6 1 1 A 11 11 ILE HA H 11 3.800 3.537 0.263 1 1 122 . 6 1 1 A 11 11 ILE C C 11 174.900 176.240 -1.340 1 1 123 . 6 1 1 A 11 11 ILE CA C 11 62.100 64.873 -2.773 1 1 124 . 6 1 1 A 11 11 ILE CB C 11 35.300 37.313 -2.013 1 1 128 . 6 1 1 A 11 11 ILE N N 11 124.200 120.425 3.775 1 1 129 . 6 1 1 A 12 12 VAL H H 12 8.530 7.784 0.746 1 1 130 . 6 1 1 A 12 12 VAL HA H 12 4.260 3.504 0.756 1 1 138 . 6 1 1 A 12 12 VAL C C 12 174.900 174.676 0.224 1 1 139 . 6 1 1 A 12 12 VAL CA C 12 60.600 62.981 -2.381 1 1 140 . 6 1 1 A 12 12 VAL CB C 12 35.400 29.588 5.812 1 1 143 . 6 1 1 A 12 12 VAL N N 12 118.400 118.742 -0.342 1 1 144 . 6 1 1 A 13 13 GLU H H 13 7.430 7.394 0.036 1 1 145 . 6 1 1 A 13 13 GLU HA H 13 4.590 4.610 -0.020 1 1 150 . 6 1 1 A 13 13 GLU C C 13 173.800 174.059 -0.259 1 1 151 . 6 1 1 A 13 13 GLU CA C 13 54.800 56.046 -1.246 1 1 152 . 6 1 1 A 13 13 GLU CB C 13 33.160 31.831 1.329 1 1 154 . 6 1 1 A 13 13 GLU N N 13 120.100 121.512 -1.412 1 1 155 . 6 1 1 A 14 14 ASN H H 14 8.800 8.722 0.078 1 1 156 . 6 1 1 A 14 14 ASN HA H 14 4.110 4.925 -0.815 1 1 161 . 6 1 1 A 14 14 ASN C C 14 176.600 175.869 0.731 1 1 162 . 6 1 1 A 14 14 ASN CA C 14 54.600 53.030 1.570 1 1 163 . 6 1 1 A 14 14 ASN CB C 14 38.900 39.500 -0.600 1 1 164 . 6 1 1 A 14 14 ASN N N 14 121.500 123.990 -2.490 1 1 166 . 6 1 1 A 15 15 GLY H H 15 8.620 9.080 -0.460 1 1 167 . 6 1 1 A 15 15 GLY HA2 H 15 3.460 3.695 -0.235 1 1 168 . 6 1 1 A 15 15 GLY HA3 H 15 4.110 3.801 0.309 1 1 169 . 6 1 1 A 15 15 GLY C C 15 173.100 173.569 -0.469 1 1 170 . 6 1 1 A 15 15 GLY CA C 15 45.300 45.846 -0.546 1 1 171 . 6 1 1 A 15 15 GLY N N 15 114.900 110.419 4.481 1 1 172 . 6 1 1 A 16 16 GLN H H 16 7.280 7.736 -0.456 1 1 173 . 6 1 1 A 16 16 GLN HA H 16 4.160 4.593 -0.433 1 1 180 . 6 1 1 A 16 16 GLN C C 16 174.400 174.877 -0.477 1 1 181 . 6 1 1 A 16 16 GLN CA C 16 56.300 54.514 1.786 1 1 182 . 6 1 1 A 16 16 GLN CB C 16 30.300 30.084 0.216 1 1 184 . 6 1 1 A 16 16 GLN N N 16 121.500 120.155 1.345 1 1 186 . 6 1 1 A 17 17 TRP H H 17 8.640 8.952 -0.312 1 1 187 . 6 1 1 A 17 17 TRP HA H 17 5.400 5.379 0.021 1 1 196 . 6 1 1 A 17 17 TRP C C 17 176.900 176.200 0.700 1 1 197 . 6 1 1 A 17 17 TRP CA C 17 56.400 56.619 -0.219 1 1 198 . 6 1 1 A 17 17 TRP CB C 17 30.300 30.605 -0.305 1 1 204 . 6 1 1 A 17 17 TRP N N 17 125.500 127.057 -1.557 1 1 206 . 6 1 1 A 18 18 ALA H H 18 9.020 8.689 0.331 1 1 207 . 6 1 1 A 18 18 ALA HA H 18 4.650 4.786 -0.136 1 1 211 . 6 1 1 A 18 18 ALA C C 18 174.100 175.242 -1.142 1 1 212 . 6 1 1 A 18 18 ALA CA C 18 51.430 51.322 0.108 1 1 213 . 6 1 1 A 18 18 ALA CB C 18 22.600 22.146 0.454 1 1 214 . 6 1 1 A 18 18 ALA N N 18 124.000 123.662 0.338 1 1 215 . 6 1 1 A 19 19 ASN H H 19 8.250 8.235 0.015 1 1 216 . 6 1 1 A 19 19 ASN HA H 19 5.710 5.809 -0.099 1 1 221 . 6 1 1 A 19 19 ASN C C 19 173.500 174.332 -0.832 1 1 222 . 6 1 1 A 19 19 ASN CA C 19 51.600 51.912 -0.312 1 1 223 . 6 1 1 A 19 19 ASN CB C 19 40.100 41.810 -1.710 1 1 224 . 6 1 1 A 19 19 ASN N N 19 116.500 116.177 0.323 1 1 226 . 6 1 1 A 20 20 LEU H H 20 9.280 9.045 0.235 1 1 227 . 6 1 1 A 20 20 LEU HA H 20 4.930 5.024 -0.094 1 1 236 . 6 1 1 A 20 20 LEU C C 20 174.800 174.096 0.704 1 1 237 . 6 1 1 A 20 20 LEU CA C 20 54.200 54.175 0.025 1 1 238 . 6 1 1 A 20 20 LEU CB C 20 46.300 46.116 0.184 1 1 241 . 6 1 1 A 20 20 LEU N N 20 121.800 124.355 -2.555 1 1 242 . 6 1 1 A 21 21 LYS H H 21 8.550 8.999 -0.449 1 1 243 . 6 1 1 A 21 21 LYS HA H 21 5.450 5.222 0.228 1 1 252 . 6 1 1 A 21 21 LYS C C 21 174.800 175.300 -0.500 1 1 253 . 6 1 1 A 21 21 LYS CA C 21 55.350 54.783 0.567 1 1 254 . 6 1 1 A 21 21 LYS CB C 21 34.300 35.355 -1.055 1 1 258 . 6 1 1 A 21 21 LYS N N 21 122.500 128.260 -5.760 1 1 259 . 6 1 1 A 22 22 ALA H H 22 9.090 8.366 0.724 1 1 260 . 6 1 1 A 22 22 ALA HA H 22 4.830 4.739 0.091 1 1 264 . 6 1 1 A 22 22 ALA C C 22 173.800 175.069 -1.269 1 1 265 . 6 1 1 A 22 22 ALA CA C 22 51.300 51.020 0.280 1 1 266 . 6 1 1 A 22 22 ALA CB C 22 24.700 23.394 1.306 1 1 267 . 6 1 1 A 22 22 ALA N N 22 123.200 126.864 -3.664 1 1 268 . 6 1 1 A 23 23 LYS H H 23 9.190 8.324 0.866 1 1 269 . 6 1 1 A 23 23 LYS HA H 23 5.080 4.991 0.089 1 1 276 . 6 1 1 A 23 23 LYS C C 23 176.900 175.456 1.444 1 1 277 . 6 1 1 A 23 23 LYS CA C 23 54.100 54.780 -0.680 1 1 278 . 6 1 1 A 23 23 LYS CB C 23 35.800 34.349 1.451 1 1 281 . 6 1 1 A 23 23 LYS N N 23 121.100 120.459 0.641 1 1 282 . 6 1 1 A 24 24 VAL H H 24 8.620 8.593 0.027 1 1 283 . 6 1 1 A 24 24 VAL HA H 24 4.110 4.394 -0.284 1 1 291 . 6 1 1 A 24 24 VAL C C 24 175.800 176.413 -0.613 1 1 292 . 6 1 1 A 24 24 VAL CA C 24 62.750 62.620 0.130 1 1 293 . 6 1 1 A 24 24 VAL CB C 24 30.500 31.723 -1.223 1 1 296 . 6 1 1 A 24 24 VAL N N 24 125.600 125.644 -0.044 1 1 297 . 6 1 1 A 25 25 ILE H H 25 8.430 8.480 -0.050 1 1 298 . 6 1 1 A 25 25 ILE HA H 25 4.210 4.378 -0.168 1 1 308 . 6 1 1 A 25 25 ILE C C 25 176.700 175.905 0.795 1 1 309 . 6 1 1 A 25 25 ILE CA C 25 62.100 61.611 0.489 1 1 310 . 6 1 1 A 25 25 ILE CB C 25 38.300 38.839 -0.539 1 1 314 . 6 1 1 A 25 25 ILE N N 25 127.400 124.067 3.333 1 1 315 . 6 1 1 A 26 26 GLN H H 26 7.590 7.701 -0.111 1 1 316 . 6 1 1 A 26 26 GLN HA H 26 4.560 4.762 -0.202 1 1 323 . 6 1 1 A 26 26 GLN C C 26 173.700 173.298 0.402 1 1 324 . 6 1 1 A 26 26 GLN CA C 26 55.400 55.495 -0.095 1 1 325 . 6 1 1 A 26 26 GLN CB C 26 34.100 32.179 1.921 1 1 327 . 6 1 1 A 26 26 GLN N N 26 117.100 120.943 -3.843 1 1 329 . 6 1 1 A 27 27 LEU H H 27 8.470 8.718 -0.248 1 1 330 . 6 1 1 A 27 27 LEU HA H 27 4.710 5.189 -0.479 1 1 340 . 6 1 1 A 27 27 LEU C C 27 176.200 175.783 0.417 1 1 341 . 6 1 1 A 27 27 LEU CA C 27 54.100 53.705 0.395 1 1 342 . 6 1 1 A 27 27 LEU CB C 27 44.000 44.305 -0.305 1 1 346 . 6 1 1 A 27 27 LEU N N 27 123.600 126.831 -3.231 1 1 347 . 6 1 1 A 28 28 TRP H H 28 8.850 8.689 0.161 1 1 348 . 6 1 1 A 28 28 TRP HA H 28 5.180 5.181 -0.001 1 1 357 . 6 1 1 A 28 28 TRP C C 28 175.900 175.856 0.044 1 1 358 . 6 1 1 A 28 28 TRP CA C 28 53.300 55.733 -2.433 1 1 359 . 6 1 1 A 28 28 TRP CB C 28 31.400 32.588 -1.188 1 1 365 . 6 1 1 A 28 28 TRP N N 28 123.900 122.900 1.000 1 1 367 . 6 1 1 A 29 29 GLU H H 29 8.620 8.875 -0.255 1 1 368 . 6 1 1 A 29 29 GLU HA H 29 4.250 4.807 -0.557 1 1 373 . 6 1 1 A 29 29 GLU C C 29 175.700 175.396 0.304 1 1 374 . 6 1 1 A 29 29 GLU CA C 29 56.800 56.018 0.782 1 1 375 . 6 1 1 A 29 29 GLU CB C 29 30.000 30.522 -0.522 1 1 377 . 6 1 1 A 29 29 GLU N N 29 120.700 123.658 -2.958 1 1 378 . 6 1 1 A 30 30 ASN H H 30 8.720 8.527 0.193 1 1 379 . 6 1 1 A 30 30 ASN HA H 30 4.870 5.216 -0.346 1 1 384 . 6 1 1 A 30 30 ASN C C 30 174.800 173.867 0.933 1 1 385 . 6 1 1 A 30 30 ASN CA C 30 53.800 52.290 1.510 1 1 386 . 6 1 1 A 30 30 ASN CB C 30 41.200 41.760 -0.560 1 1 387 . 6 1 1 A 30 30 ASN N N 30 121.400 121.321 0.079 1 1 389 . 6 1 1 A 31 31 THR H H 31 8.300 8.185 0.115 1 1 390 . 6 1 1 A 31 31 THR HA H 31 4.430 4.822 -0.392 1 1 395 . 6 1 1 A 31 31 THR C C 31 174.200 175.089 -0.889 1 1 396 . 6 1 1 A 31 31 THR CA C 31 61.000 61.157 -0.157 1 1 397 . 6 1 1 A 31 31 THR CB C 31 69.600 70.240 -0.640 1 1 399 . 6 1 1 A 31 31 THR N N 31 114.200 120.823 -6.623 1 1 400 . 6 1 1 A 32 32 HIS H H 32 7.840 7.825 0.015 1 1 401 . 6 1 1 A 32 32 HIS HA H 32 4.560 4.226 0.334 1 1 405 . 6 1 1 A 32 32 HIS C C 32 177.300 175.497 1.803 1 1 406 . 6 1 1 A 32 32 HIS CA C 32 57.600 59.784 -2.184 1 1 407 . 6 1 1 A 32 32 HIS CB C 32 32.000 30.078 1.922 1 1 409 . 6 1 1 A 32 32 HIS N N 32 122.500 120.587 1.913 1 1 410 . 6 1 1 A 33 33 GLU H H 33 9.020 8.095 0.925 1 1 411 . 6 1 1 A 33 33 GLU HA H 33 4.120 4.683 -0.563 1 1 416 . 6 1 1 A 33 33 GLU C C 33 177.100 176.694 0.406 1 1 417 . 6 1 1 A 33 33 GLU CA C 33 59.000 55.465 3.535 1 1 418 . 6 1 1 A 33 33 GLU CB C 33 29.400 31.442 -2.042 1 1 420 . 6 1 1 A 33 33 GLU N N 33 127.300 117.731 9.569 1 1 421 . 6 1 1 A 34 34 SER H H 34 9.430 8.570 0.860 1 1 422 . 6 1 1 A 34 34 SER HA H 34 4.580 4.600 -0.020 1 1 425 . 6 1 1 A 34 34 SER C C 34 174.800 174.773 0.027 1 1 426 . 6 1 1 A 34 34 SER CA C 34 59.500 59.214 0.286 1 1 427 . 6 1 1 A 34 34 SER CB C 34 63.600 63.786 -0.186 1 1 428 . 6 1 1 A 34 34 SER N N 34 113.400 115.958 -2.558 1 1 429 . 6 1 1 A 35 35 ILE H H 35 7.920 7.723 0.197 1 1 430 . 6 1 1 A 35 35 ILE HA H 35 4.080 4.070 0.010 1 1 440 . 6 1 1 A 35 35 ILE C C 35 174.300 175.994 -1.694 1 1 441 . 6 1 1 A 35 35 ILE CA C 35 61.600 62.294 -0.694 1 1 442 . 6 1 1 A 35 35 ILE CB C 35 40.700 37.683 3.017 1 1 446 . 6 1 1 A 35 35 ILE N N 35 125.800 124.670 1.130 1 1 447 . 6 1 1 A 36 36 SER H H 36 9.010 8.687 0.323 1 1 448 . 6 1 1 A 36 36 SER HA H 36 4.480 4.535 -0.055 1 1 451 . 6 1 1 A 36 36 SER C C 36 174.900 173.631 1.269 1 1 452 . 6 1 1 A 36 36 SER CA C 36 58.800 60.203 -1.403 1 1 453 . 6 1 1 A 36 36 SER CB C 36 64.300 63.835 0.465 1 1 454 . 6 1 1 A 36 36 SER N N 36 119.100 122.715 -3.615 1 1 455 . 6 1 1 A 37 37 GLN H H 37 7.390 7.364 0.026 1 1 456 . 6 1 1 A 37 37 GLN HA H 37 4.690 4.664 0.026 1 1 463 . 6 1 1 A 37 37 GLN C C 37 171.800 173.250 -1.450 1 1 464 . 6 1 1 A 37 37 GLN CA C 37 54.900 55.146 -0.246 1 1 465 . 6 1 1 A 37 37 GLN CB C 37 36.200 32.328 3.872 1 1 466 . 6 1 1 A 37 37 GLN N N 37 116.500 118.571 -2.071 1 1 468 . 6 1 1 A 38 38 VAL H H 38 8.640 8.703 -0.063 1 1 469 . 6 1 1 A 38 38 VAL HA H 38 4.160 4.404 -0.244 1 1 477 . 6 1 1 A 38 38 VAL C C 38 172.400 174.117 -1.717 1 1 478 . 6 1 1 A 38 38 VAL CA C 38 58.500 59.186 -0.686 1 1 479 . 6 1 1 A 38 38 VAL CB C 38 35.300 35.593 -0.293 1 1 482 . 6 1 1 A 38 38 VAL N N 38 120.400 121.680 -1.280 1 1 483 . 6 1 1 A 39 39 GLY H H 39 6.440 6.815 -0.375 1 1 484 . 6 1 1 A 39 39 GLY HA2 H 39 3.690 4.278 -0.588 1 1 485 . 6 1 1 A 39 39 GLY HA3 H 39 1.940 4.296 -2.356 1 1 486 . 6 1 1 A 39 39 GLY C C 39 170.600 171.605 -1.005 1 1 487 . 6 1 1 A 39 39 GLY CA C 39 45.300 45.754 -0.454 1 1 488 . 6 1 1 A 39 39 GLY N N 39 109.600 110.500 -0.900 1 1 489 . 6 1 1 A 40 40 LEU H H 40 8.380 8.480 -0.100 1 1 490 . 6 1 1 A 40 40 LEU HA H 40 4.980 5.284 -0.304 1 1 499 . 6 1 1 A 40 40 LEU C C 40 176.000 176.227 -0.227 1 1 500 . 6 1 1 A 40 40 LEU CA C 40 53.200 53.547 -0.347 1 1 501 . 6 1 1 A 40 40 LEU CB C 40 47.400 45.258 2.142 1 1 504 . 6 1 1 A 40 40 LEU N N 40 119.500 121.669 -2.169 1 1 505 . 6 1 1 A 41 41 LEU H H 41 9.410 9.136 0.274 1 1 506 . 6 1 1 A 41 41 LEU HA H 41 5.320 5.322 -0.002 1 1 516 . 6 1 1 A 41 41 LEU C C 41 176.700 175.622 1.078 1 1 517 . 6 1 1 A 41 41 LEU CA C 41 52.400 52.983 -0.583 1 1 518 . 6 1 1 A 41 41 LEU CB C 41 44.900 44.271 0.629 1 1 522 . 6 1 1 A 41 41 LEU N N 41 122.700 122.700 0.000 1 1 523 . 6 1 1 A 42 42 GLY H H 42 9.210 9.917 -0.707 1 1 524 . 6 1 1 A 42 42 GLY HA2 H 42 3.550 4.072 -0.522 1 1 525 . 6 1 1 A 42 42 GLY HA3 H 42 5.350 4.079 1.271 1 1 526 . 6 1 1 A 42 42 GLY C C 42 171.200 171.990 -0.790 1 1 527 . 6 1 1 A 42 42 GLY CA C 42 45.700 45.589 0.111 1 1 528 . 6 1 1 A 42 42 GLY N N 42 104.600 112.479 -7.879 1 1 529 . 6 1 1 A 43 43 ASP H H 43 8.960 8.798 0.162 1 1 530 . 6 1 1 A 43 43 ASP HA H 43 4.640 5.040 -0.400 1 1 533 . 6 1 1 A 43 43 ASP C C 43 175.600 176.754 -1.154 1 1 534 . 6 1 1 A 43 43 ASP CA C 43 52.700 53.189 -0.489 1 1 535 . 6 1 1 A 43 43 ASP CB C 43 41.600 42.905 -1.305 1 1 536 . 6 1 1 A 43 43 ASP N N 43 121.900 125.760 -3.860 1 1 537 . 6 1 1 A 44 44 GLU H H 44 10.150 8.870 1.280 1 1 538 . 6 1 1 A 44 44 GLU HA H 44 4.380 4.088 0.292 1 1 543 . 6 1 1 A 44 44 GLU C C 44 176.900 177.370 -0.470 1 1 544 . 6 1 1 A 44 44 GLU CA C 44 59.300 59.319 -0.019 1 1 545 . 6 1 1 A 44 44 GLU CB C 44 28.100 29.118 -1.018 1 1 547 . 6 1 1 A 44 44 GLU N N 44 118.000 124.304 -6.304 1 1 548 . 6 1 1 A 45 45 THR H H 45 9.600 7.675 1.925 1 1 549 . 6 1 1 A 45 45 THR HA H 45 4.580 4.487 0.093 1 1 554 . 6 1 1 A 45 45 THR C C 45 174.800 173.844 0.956 1 1 555 . 6 1 1 A 45 45 THR CA C 45 61.700 62.159 -0.459 1 1 556 . 6 1 1 A 45 45 THR CB C 45 70.000 69.315 0.685 1 1 558 . 6 1 1 A 45 45 THR N N 45 112.000 108.349 3.651 1 1 559 . 6 1 1 A 46 46 GLY H H 46 7.640 7.461 0.179 1 1 560 . 6 1 1 A 46 46 GLY HA2 H 46 3.830 4.135 -0.305 1 1 561 . 6 1 1 A 46 46 GLY HA3 H 46 4.000 4.139 -0.139 1 1 562 . 6 1 1 A 46 46 GLY C C 46 169.400 171.558 -2.158 1 1 563 . 6 1 1 A 46 46 GLY CA C 46 46.000 45.088 0.912 1 1 564 . 6 1 1 A 46 46 GLY N N 46 110.600 108.085 2.515 1 1 565 . 6 1 1 A 47 47 ILE H H 47 8.000 8.497 -0.497 1 1 566 . 6 1 1 A 47 47 ILE HA H 47 5.450 5.387 0.063 1 1 576 . 6 1 1 A 47 47 ILE C C 47 175.200 174.265 0.935 1 1 577 . 6 1 1 A 47 47 ILE CA C 47 59.100 58.639 0.461 1 1 578 . 6 1 1 A 47 47 ILE CB C 47 42.400 42.434 -0.034 1 1 582 . 6 1 1 A 47 47 ILE N N 47 113.900 119.063 -5.163 1 1 583 . 6 1 1 A 48 48 ILE H H 48 9.340 8.371 0.969 1 1 584 . 6 1 1 A 48 48 ILE HA H 48 4.640 4.744 -0.104 1 1 594 . 6 1 1 A 48 48 ILE C C 48 171.500 174.233 -2.733 1 1 595 . 6 1 1 A 48 48 ILE CA C 48 60.600 59.355 1.245 1 1 596 . 6 1 1 A 48 48 ILE CB C 48 42.000 41.449 0.551 1 1 600 . 6 1 1 A 48 48 ILE N N 48 123.600 122.143 1.457 1 1 601 . 6 1 1 A 49 49 LYS H H 49 8.350 8.472 -0.122 1 1 602 . 6 1 1 A 49 49 LYS HA H 49 4.820 4.801 0.019 1 1 611 . 6 1 1 A 49 49 LYS C C 49 174.700 176.298 -1.598 1 1 612 . 6 1 1 A 49 49 LYS CA C 49 56.400 55.916 0.484 1 1 613 . 6 1 1 A 49 49 LYS CB C 49 33.800 34.950 -1.150 1 1 617 . 6 1 1 A 49 49 LYS N N 49 129.100 126.352 2.748 1 1 618 . 6 1 1 A 50 50 PHE H H 50 8.570 8.163 0.407 1 1 619 . 6 1 1 A 50 50 PHE HA H 50 5.820 5.497 0.323 1 1 627 . 6 1 1 A 50 50 PHE C C 50 172.100 172.935 -0.835 1 1 628 . 6 1 1 A 50 50 PHE CA C 50 54.800 56.202 -1.402 1 1 629 . 6 1 1 A 50 50 PHE CB C 50 43.900 42.446 1.454 1 1 635 . 6 1 1 A 50 50 PHE N N 50 122.700 117.092 5.608 1 1 636 . 6 1 1 A 51 51 THR H H 51 8.190 8.777 -0.587 1 1 637 . 6 1 1 A 51 51 THR HA H 51 4.320 4.782 -0.462 1 1 642 . 6 1 1 A 51 51 THR C C 51 172.900 172.826 0.074 1 1 643 . 6 1 1 A 51 51 THR CA C 51 61.700 61.277 0.423 1 1 644 . 6 1 1 A 51 51 THR CB C 51 72.500 71.583 0.917 1 1 646 . 6 1 1 A 51 51 THR N N 51 114.400 114.362 0.038 1 1 647 . 6 1 1 A 52 52 ILE H H 52 8.880 9.185 -0.305 1 1 648 . 6 1 1 A 52 52 ILE HA H 52 4.650 4.512 0.138 1 1 658 . 6 1 1 A 52 52 ILE C C 52 176.000 175.083 0.917 1 1 659 . 6 1 1 A 52 52 ILE CA C 52 60.500 60.216 0.284 1 1 660 . 6 1 1 A 52 52 ILE CB C 52 38.900 39.545 -0.645 1 1 664 . 6 1 1 A 52 52 ILE N N 52 123.400 126.805 -3.405 1 1 665 . 6 1 1 A 53 53 TRP H H 53 8.020 8.444 -0.424 1 1 666 . 6 1 1 A 53 53 TRP HA H 53 4.740 4.845 -0.105 1 1 675 . 6 1 1 A 53 53 TRP C C 53 177.500 177.501 -0.001 1 1 676 . 6 1 1 A 53 53 TRP CA C 53 57.700 57.284 0.416 1 1 677 . 6 1 1 A 53 53 TRP CB C 53 30.400 30.581 -0.181 1 1 683 . 6 1 1 A 53 53 TRP N N 53 129.500 128.495 1.005 1 1 685 . 6 1 1 A 54 54 LYS H H 54 8.980 9.313 -0.333 1 1 686 . 6 1 1 A 54 54 LYS HA H 54 4.100 4.066 0.034 1 1 695 . 6 1 1 A 54 54 LYS C C 54 177.700 178.173 -0.473 1 1 696 . 6 1 1 A 54 54 LYS CA C 54 59.400 60.035 -0.635 1 1 697 . 6 1 1 A 54 54 LYS CB C 54 32.400 32.148 0.252 1 1 701 . 6 1 1 A 54 54 LYS N N 54 125.500 124.289 1.211 1 1 702 . 6 1 1 A 55 55 ASN H H 55 8.600 9.093 -0.493 1 1 703 . 6 1 1 A 55 55 ASN HA H 55 4.510 4.624 -0.114 1 1 708 . 6 1 1 A 55 55 ASN C C 55 175.300 176.509 -1.209 1 1 709 . 6 1 1 A 55 55 ASN CA C 55 53.700 54.686 -0.986 1 1 710 . 6 1 1 A 55 55 ASN CB C 55 37.100 37.014 0.086 1 1 711 . 6 1 1 A 55 55 ASN N N 55 115.400 115.970 -0.570 1 1 713 . 6 1 1 A 56 56 ALA H H 56 7.630 7.921 -0.291 1 1 714 . 6 1 1 A 56 56 ALA HA H 56 3.970 4.378 -0.408 1 1 718 . 6 1 1 A 56 56 ALA C C 56 176.100 176.987 -0.887 1 1 719 . 6 1 1 A 56 56 ALA CA C 56 53.500 52.889 0.611 1 1 720 . 6 1 1 A 56 56 ALA CB C 56 18.400 19.673 -1.273 1 1 721 . 6 1 1 A 56 56 ALA N N 56 121.200 122.365 -1.165 1 1 722 . 6 1 1 A 57 57 GLU H H 57 7.880 8.157 -0.277 1 1 723 . 6 1 1 A 57 57 GLU HA H 57 3.940 3.852 0.088 1 1 728 . 6 1 1 A 57 57 GLU C C 57 175.400 174.881 0.519 1 1 729 . 6 1 1 A 57 57 GLU CA C 57 56.700 57.339 -0.639 1 1 730 . 6 1 1 A 57 57 GLU CB C 57 27.300 27.210 0.090 1 1 732 . 6 1 1 A 57 57 GLU N N 57 112.500 114.616 -2.116 1 1 733 . 6 1 1 A 58 58 LEU H H 58 7.910 7.798 0.112 1 1 734 . 6 1 1 A 58 58 LEU HA H 58 4.740 4.810 -0.070 1 1 744 . 6 1 1 A 58 58 LEU C C 58 175.400 174.630 0.770 1 1 745 . 6 1 1 A 58 58 LEU CA C 58 52.300 51.501 0.799 1 1 746 . 6 1 1 A 58 58 LEU CB C 58 42.900 43.556 -0.656 1 1 750 . 6 1 1 A 58 58 LEU N N 58 120.000 119.998 0.002 1 1 751 . 6 1 1 A 59 59 PRO HA H 59 4.380 4.547 -0.167 1 1 758 . 6 1 1 A 59 59 PRO CA C 59 62.200 62.388 -0.188 1 1 759 . 6 1 1 A 59 59 PRO CB C 59 32.000 32.356 -0.356 1 1 762 . 6 1 1 A 60 60 LEU H H 60 7.860 8.329 -0.469 1 1 763 . 6 1 1 A 60 60 LEU HA H 60 3.920 4.445 -0.525 1 1 773 . 6 1 1 A 60 60 LEU C C 60 178.300 177.062 1.238 1 1 774 . 6 1 1 A 60 60 LEU CA C 60 55.000 54.763 0.237 1 1 775 . 6 1 1 A 60 60 LEU CB C 60 41.800 42.604 -0.804 1 1 779 . 6 1 1 A 60 60 LEU N N 60 117.500 122.956 -5.456 1 1 780 . 6 1 1 A 61 61 LEU H H 61 9.680 8.397 1.283 1 1 781 . 6 1 1 A 61 61 LEU HA H 61 4.040 4.091 -0.051 1 1 791 . 6 1 1 A 61 61 LEU C C 61 177.300 177.068 0.232 1 1 792 . 6 1 1 A 61 61 LEU CA C 61 54.100 54.028 0.072 1 1 793 . 6 1 1 A 61 61 LEU CB C 61 41.300 42.132 -0.832 1 1 797 . 6 1 1 A 61 61 LEU N N 61 122.300 124.664 -2.364 1 1 798 . 6 1 1 A 62 62 GLU H H 62 8.390 8.928 -0.538 1 1 799 . 6 1 1 A 62 62 GLU HA H 62 4.430 4.660 -0.230 1 1 804 . 6 1 1 A 62 62 GLU C C 62 175.600 176.215 -0.615 1 1 805 . 6 1 1 A 62 62 GLU CA C 62 54.800 55.069 -0.269 1 1 806 . 6 1 1 A 62 62 GLU CB C 62 32.200 31.813 0.387 1 1 808 . 6 1 1 A 62 62 GLU N N 62 120.500 122.789 -2.289 1 1 809 . 6 1 1 A 63 63 GLN H H 63 8.780 8.717 0.063 1 1 810 . 6 1 1 A 63 63 GLN HA H 63 3.700 4.049 -0.349 1 1 817 . 6 1 1 A 63 63 GLN C C 63 176.600 176.768 -0.168 1 1 818 . 6 1 1 A 63 63 GLN CA C 63 58.100 57.584 0.516 1 1 819 . 6 1 1 A 63 63 GLN CB C 63 28.300 28.670 -0.370 1 1 821 . 6 1 1 A 63 63 GLN N N 63 123.300 123.502 -0.202 1 1 823 . 6 1 1 A 64 64 GLY H H 64 9.140 8.659 0.481 1 1 824 . 6 1 1 A 64 64 GLY HA2 H 64 3.580 3.950 -0.370 1 1 825 . 6 1 1 A 64 64 GLY HA3 H 64 4.390 3.955 0.435 1 1 826 . 6 1 1 A 64 64 GLY C C 64 173.900 173.836 0.064 1 1 827 . 6 1 1 A 64 64 GLY CA C 64 45.300 44.940 0.360 1 1 828 . 6 1 1 A 64 64 GLY N N 64 115.100 114.873 0.227 1 1 829 . 6 1 1 A 65 65 GLU H H 65 7.590 7.521 0.069 1 1 830 . 6 1 1 A 65 65 GLU HA H 65 4.490 4.617 -0.127 1 1 835 . 6 1 1 A 65 65 GLU C C 65 174.200 175.698 -1.498 1 1 836 . 6 1 1 A 65 65 GLU CA C 65 54.900 54.494 0.406 1 1 837 . 6 1 1 A 65 65 GLU CB C 65 30.500 31.510 -1.010 1 1 839 . 6 1 1 A 65 65 GLU N N 65 120.300 120.386 -0.086 1 1 840 . 6 1 1 A 66 66 SER H H 66 8.700 8.331 0.369 1 1 841 . 6 1 1 A 66 66 SER HA H 66 5.330 5.012 0.318 1 1 844 . 6 1 1 A 66 66 SER C C 66 174.100 172.517 1.583 1 1 845 . 6 1 1 A 66 66 SER CA C 66 58.300 57.497 0.803 1 1 846 . 6 1 1 A 66 66 SER CB C 66 65.500 65.022 0.478 1 1 847 . 6 1 1 A 66 66 SER N N 66 116.500 118.559 -2.059 1 1 848 . 6 1 1 A 67 67 TYR H H 67 9.090 8.688 0.402 1 1 849 . 6 1 1 A 67 67 TYR HA H 67 5.110 5.065 0.045 1 1 856 . 6 1 1 A 67 67 TYR C C 67 173.900 174.355 -0.455 1 1 857 . 6 1 1 A 67 67 TYR CA C 67 57.500 56.232 1.268 1 1 858 . 6 1 1 A 67 67 TYR CB C 67 43.900 43.320 0.580 1 1 863 . 6 1 1 A 67 67 TYR N N 67 119.000 122.083 -3.083 1 1 864 . 6 1 1 A 68 68 LEU H H 68 9.230 8.892 0.338 1 1 865 . 6 1 1 A 68 68 LEU HA H 68 5.000 5.115 -0.115 1 1 875 . 6 1 1 A 68 68 LEU C C 68 175.300 174.455 0.845 1 1 876 . 6 1 1 A 68 68 LEU CA C 68 54.300 53.821 0.479 1 1 877 . 6 1 1 A 68 68 LEU CB C 68 43.800 45.077 -1.277 1 1 881 . 6 1 1 A 68 68 LEU N N 68 121.800 124.175 -2.375 1 1 882 . 6 1 1 A 69 69 LEU H H 69 9.460 9.361 0.099 1 1 883 . 6 1 1 A 69 69 LEU HA H 69 5.010 4.997 0.013 1 1 893 . 6 1 1 A 69 69 LEU C C 69 175.000 175.715 -0.715 1 1 894 . 6 1 1 A 69 69 LEU CA C 69 54.100 53.730 0.370 1 1 895 . 6 1 1 A 69 69 LEU CB C 69 42.300 42.857 -0.557 1 1 899 . 6 1 1 A 69 69 LEU N N 69 128.500 128.389 0.111 1 1 900 . 6 1 1 A 70 70 ARG H H 70 8.910 8.448 0.462 1 1 901 . 6 1 1 A 70 70 ARG HA H 70 4.850 4.780 0.070 1 1 909 . 6 1 1 A 70 70 ARG C C 70 176.400 176.704 -0.304 1 1 910 . 6 1 1 A 70 70 ARG CA C 70 54.900 54.817 0.083 1 1 911 . 6 1 1 A 70 70 ARG CB C 70 32.300 32.778 -0.478 1 1 914 . 6 1 1 A 70 70 ARG N N 70 121.500 124.354 -2.854 1 1 916 . 6 1 1 A 71 71 SER H H 71 8.800 8.940 -0.140 1 1 917 . 6 1 1 A 71 71 SER HA H 71 3.870 4.283 -0.413 1 1 920 . 6 1 1 A 71 71 SER C C 71 175.800 173.755 2.045 1 1 921 . 6 1 1 A 71 71 SER CA C 71 58.600 59.150 -0.550 1 1 922 . 6 1 1 A 71 71 SER CB C 71 62.000 60.925 1.075 1 1 923 . 6 1 1 A 71 71 SER N N 71 114.400 118.728 -4.328 1 1 924 . 6 1 1 A 72 72 VAL H H 72 8.750 7.453 1.297 1 1 925 . 6 1 1 A 72 72 VAL HA H 72 4.610 5.040 -0.430 1 1 933 . 6 1 1 A 72 72 VAL C C 72 173.300 174.004 -0.704 1 1 934 . 6 1 1 A 72 72 VAL CA C 72 59.300 59.469 -0.169 1 1 935 . 6 1 1 A 72 72 VAL CB C 72 31.900 35.184 -3.284 1 1 938 . 6 1 1 A 72 72 VAL N N 72 115.500 117.427 -1.927 1 1 939 . 6 1 1 A 73 73 VAL H H 73 7.940 8.323 -0.383 1 1 940 . 6 1 1 A 73 73 VAL HA H 73 4.760 4.587 0.173 1 1 948 . 6 1 1 A 73 73 VAL C C 73 174.300 173.657 0.643 1 1 949 . 6 1 1 A 73 73 VAL CA C 73 58.800 59.239 -0.439 1 1 950 . 6 1 1 A 73 73 VAL CB C 73 34.500 34.914 -0.414 1 1 953 . 6 1 1 A 73 73 VAL N N 73 118.200 120.944 -2.744 1 1 954 . 6 1 1 A 74 74 VAL H H 74 8.430 8.060 0.370 1 1 955 . 6 1 1 A 74 74 VAL HA H 74 4.560 4.524 0.036 1 1 963 . 6 1 1 A 74 74 VAL C C 74 177.300 175.804 1.496 1 1 964 . 6 1 1 A 74 74 VAL CA C 74 62.100 60.959 1.141 1 1 965 . 6 1 1 A 74 74 VAL CB C 74 32.700 32.492 0.208 1 1 968 . 6 1 1 A 74 74 VAL N N 74 127.800 125.917 1.883 1 1 969 . 6 1 1 A 75 75 GLY H H 75 9.040 9.601 -0.561 1 1 970 . 6 1 1 A 75 75 GLY HA2 H 75 3.750 4.294 -0.544 1 1 971 . 6 1 1 A 75 75 GLY HA3 H 75 5.120 4.332 0.788 1 1 972 . 6 1 1 A 75 75 GLY C C 75 172.500 172.020 0.480 1 1 973 . 6 1 1 A 75 75 GLY CA C 75 43.700 44.200 -0.500 1 1 974 . 6 1 1 A 75 75 GLY N N 75 116.000 115.628 0.372 1 1 975 . 6 1 1 A 76 76 GLU H H 76 8.380 8.618 -0.238 1 1 976 . 6 1 1 A 76 76 GLU HA H 76 4.690 4.549 0.141 1 1 981 . 6 1 1 A 76 76 GLU C C 76 176.000 174.775 1.225 1 1 982 . 6 1 1 A 76 76 GLU CA C 76 56.100 55.666 0.434 1 1 983 . 6 1 1 A 76 76 GLU CB C 76 32.000 30.361 1.639 1 1 985 . 6 1 1 A 76 76 GLU N N 76 120.200 122.637 -2.437 1 1 986 . 6 1 1 A 77 77 TYR H H 77 8.430 8.527 -0.097 1 1 987 . 6 1 1 A 77 77 TYR HA H 77 4.570 4.917 -0.347 1 1 994 . 6 1 1 A 77 77 TYR C C 77 174.200 175.492 -1.292 1 1 995 . 6 1 1 A 77 77 TYR CA C 77 56.500 56.884 -0.384 1 1 996 . 6 1 1 A 77 77 TYR CB C 77 39.800 39.211 0.589 1 1 1001 . 6 1 1 A 77 77 TYR N N 77 124.400 129.514 -5.114 1 1 1002 . 6 1 1 A 78 78 ASN H H 78 9.100 8.746 0.354 1 1 1003 . 6 1 1 A 78 78 ASN HA H 78 4.000 4.446 -0.446 1 1 1008 . 6 1 1 A 78 78 ASN C C 78 177.300 175.111 2.189 1 1 1009 . 6 1 1 A 78 78 ASN CA C 78 54.700 54.771 -0.071 1 1 1010 . 6 1 1 A 78 78 ASN CB C 78 36.600 37.497 -0.897 1 1 1011 . 6 1 1 A 78 78 ASN N N 78 125.800 126.390 -0.590 1 1 1013 . 6 1 1 A 79 79 ASP H H 79 8.640 8.788 -0.148 1 1 1014 . 6 1 1 A 79 79 ASP HA H 79 4.240 4.435 -0.195 1 1 1017 . 6 1 1 A 79 79 ASP C C 79 174.600 175.723 -1.123 1 1 1018 . 6 1 1 A 79 79 ASP CA C 79 54.900 55.298 -0.398 1 1 1019 . 6 1 1 A 79 79 ASP CB C 79 39.700 41.976 -2.276 1 1 1020 . 6 1 1 A 79 79 ASP N N 79 115.700 125.907 -10.207 1 1 1021 . 6 1 1 A 80 80 ARG H H 80 7.880 8.051 -0.171 1 1 1022 . 6 1 1 A 80 80 ARG HA H 80 4.370 4.697 -0.327 1 1 1030 . 6 1 1 A 80 80 ARG C C 80 175.000 174.966 0.034 1 1 1031 . 6 1 1 A 80 80 ARG CA C 80 54.200 54.744 -0.544 1 1 1032 . 6 1 1 A 80 80 ARG CB C 80 31.800 32.336 -0.536 1 1 1035 . 6 1 1 A 80 80 ARG N N 80 119.700 119.785 -0.085 1 1 1037 . 6 1 1 A 81 81 PHE H H 81 8.410 8.939 -0.529 1 1 1038 . 6 1 1 A 81 81 PHE HA H 81 5.420 5.079 0.341 1 1 1046 . 6 1 1 A 81 81 PHE C C 81 174.400 175.036 -0.636 1 1 1047 . 6 1 1 A 81 81 PHE CA C 81 57.200 57.279 -0.079 1 1 1048 . 6 1 1 A 81 81 PHE CB C 81 42.000 41.400 0.600 1 1 1054 . 6 1 1 A 81 81 PHE N N 81 120.700 124.048 -3.348 1 1 1055 . 6 1 1 A 82 82 GLN H H 82 8.950 8.666 0.284 1 1 1056 . 6 1 1 A 82 82 GLN HA H 82 5.110 4.808 0.302 1 1 1063 . 6 1 1 A 82 82 GLN C C 82 172.400 173.934 -1.534 1 1 1064 . 6 1 1 A 82 82 GLN CA C 82 53.500 54.829 -1.329 1 1 1065 . 6 1 1 A 82 82 GLN CB C 82 31.900 33.062 -1.162 1 1 1067 . 6 1 1 A 82 82 GLN N N 82 115.000 120.706 -5.706 1 1 1069 . 6 1 1 A 83 83 VAL H H 83 9.090 8.462 0.628 1 1 1070 . 6 1 1 A 83 83 VAL HA H 83 4.380 4.690 -0.310 1 1 1078 . 6 1 1 A 83 83 VAL C C 83 174.600 174.819 -0.219 1 1 1079 . 6 1 1 A 83 83 VAL CA C 83 61.600 61.710 -0.110 1 1 1080 . 6 1 1 A 83 83 VAL CB C 83 33.500 32.787 0.713 1 1 1083 . 6 1 1 A 83 83 VAL N N 83 118.900 126.397 -7.497 1 1 1084 . 6 1 1 A 84 84 GLN H H 84 9.280 8.697 0.583 1 1 1085 . 6 1 1 A 84 84 GLN HA H 84 5.020 5.091 -0.071 1 1 1092 . 6 1 1 A 84 84 GLN C C 84 174.500 174.636 -0.136 1 1 1093 . 6 1 1 A 84 84 GLN CA C 84 54.400 54.613 -0.213 1 1 1094 . 6 1 1 A 84 84 GLN CB C 84 29.900 31.039 -1.139 1 1 1096 . 6 1 1 A 84 84 GLN N N 84 124.800 127.170 -2.370 1 1 1098 . 6 1 1 A 85 85 VAL H H 85 8.680 8.691 -0.011 1 1 1099 . 6 1 1 A 85 85 VAL HA H 85 4.300 4.713 -0.413 1 1 1107 . 6 1 1 A 85 85 VAL C C 85 174.500 175.672 -1.172 1 1 1108 . 6 1 1 A 85 85 VAL CA C 85 61.700 61.355 0.345 1 1 1109 . 6 1 1 A 85 85 VAL CB C 85 31.700 32.666 -0.966 1 1 1112 . 6 1 1 A 85 85 VAL N N 85 125.500 124.993 0.507 1 1 1113 . 6 1 1 A 86 86 ASN H H 86 8.740 8.983 -0.243 1 1 1114 . 6 1 1 A 86 86 ASN HA H 86 5.240 5.387 -0.147 1 1 1119 . 6 1 1 A 86 86 ASN C C 86 175.300 173.990 1.310 1 1 1120 . 6 1 1 A 86 86 ASN CA C 86 51.800 51.589 0.211 1 1 1121 . 6 1 1 A 86 86 ASN CB C 86 42.400 43.161 -0.761 1 1 1122 . 6 1 1 A 86 86 ASN N N 86 124.000 124.238 -0.238 1 1 1124 . 6 1 1 A 87 87 LYS H H 87 8.530 8.547 -0.017 1 1 1125 . 6 1 1 A 87 87 LYS HA H 87 4.210 3.953 0.257 1 1 1134 . 6 1 1 A 87 87 LYS C C 87 176.700 177.235 -0.535 1 1 1135 . 6 1 1 A 87 87 LYS CA C 87 59.000 57.808 1.192 1 1 1136 . 6 1 1 A 87 87 LYS CB C 87 32.400 32.514 -0.114 1 1 1140 . 6 1 1 A 87 87 LYS N N 87 117.600 121.501 -3.901 1 1 1141 . 6 1 1 A 88 88 ASN H H 88 8.600 9.059 -0.459 1 1 1142 . 6 1 1 A 88 88 ASN HA H 88 4.810 4.664 0.146 1 1 1147 . 6 1 1 A 88 88 ASN C C 88 175.600 174.773 0.827 1 1 1148 . 6 1 1 A 88 88 ASN CA C 88 54.100 54.671 -0.571 1 1 1149 . 6 1 1 A 88 88 ASN CB C 88 39.100 38.137 0.963 1 1 1150 . 6 1 1 A 88 88 ASN N N 88 115.500 124.058 -8.558 1 1 1152 . 6 1 1 A 89 89 SER H H 89 8.150 7.921 0.229 1 1 1153 . 6 1 1 A 89 89 SER HA H 89 5.120 4.856 0.264 1 1 1156 . 6 1 1 A 89 89 SER C C 89 172.400 173.579 -1.179 1 1 1157 . 6 1 1 A 89 89 SER CA C 89 58.100 58.559 -0.459 1 1 1158 . 6 1 1 A 89 89 SER CB C 89 64.000 65.289 -1.289 1 1 1159 . 6 1 1 A 89 89 SER N N 89 117.500 116.655 0.845 1 1 1160 . 6 1 1 A 90 90 SER H H 90 8.200 8.476 -0.276 1 1 1161 . 6 1 1 A 90 90 SER HA H 90 4.680 5.203 -0.523 1 1 1164 . 6 1 1 A 90 90 SER C C 90 172.400 172.531 -0.131 1 1 1165 . 6 1 1 A 90 90 SER CA C 90 57.700 56.977 0.723 1 1 1166 . 6 1 1 A 90 90 SER CB C 90 65.700 66.831 -1.131 1 1 1167 . 6 1 1 A 90 90 SER N N 90 113.200 114.526 -1.326 1 1 1168 . 6 1 1 A 91 91 ILE H H 91 8.640 8.535 0.105 1 1 1169 . 6 1 1 A 91 91 ILE HA H 91 5.030 5.164 -0.134 1 1 1179 . 6 1 1 A 91 91 ILE C C 91 175.300 174.542 0.758 1 1 1180 . 6 1 1 A 91 91 ILE CA C 91 60.200 60.314 -0.114 1 1 1181 . 6 1 1 A 91 91 ILE CB C 91 42.200 41.654 0.546 1 1 1185 . 6 1 1 A 91 91 ILE N N 91 119.700 120.427 -0.727 1 1 1186 . 6 1 1 A 92 92 GLU H H 92 8.810 8.639 0.171 1 1 1187 . 6 1 1 A 92 92 GLU HA H 92 4.710 5.000 -0.290 1 1 1192 . 6 1 1 A 92 92 GLU C C 92 174.700 175.195 -0.495 1 1 1193 . 6 1 1 A 92 92 GLU CA C 92 54.600 54.442 0.158 1 1 1194 . 6 1 1 A 92 92 GLU CB C 92 33.300 33.146 0.154 1 1 1196 . 6 1 1 A 92 92 GLU N N 92 125.900 125.894 0.006 1 1 1197 . 6 1 1 A 93 93 LYS H H 93 9.080 8.483 0.597 1 1 1198 . 6 1 1 A 93 93 LYS HA H 93 4.100 4.330 -0.230 1 1 1207 . 6 1 1 A 93 93 LYS C C 93 176.400 176.482 -0.082 1 1 1208 . 6 1 1 A 93 93 LYS CA C 93 57.500 56.693 0.807 1 1 1209 . 6 1 1 A 93 93 LYS CB C 93 32.900 33.197 -0.297 1 1 1213 . 6 1 1 A 93 93 LYS N N 93 127.600 125.383 2.217 1 1 1214 . 6 1 1 A 94 94 LEU H H 94 8.410 8.260 0.150 1 1 1215 . 6 1 1 A 94 94 LEU HA H 94 4.480 4.672 -0.192 1 1 1224 . 6 1 1 A 94 94 LEU C C 94 177.300 177.097 0.203 1 1 1225 . 6 1 1 A 94 94 LEU CA C 94 53.900 53.513 0.387 1 1 1226 . 6 1 1 A 94 94 LEU CB C 94 42.900 43.641 -0.741 1 1 1230 . 6 1 1 A 94 94 LEU N N 94 127.300 127.500 -0.200 1 1 1231 . 6 1 1 A 95 95 SER H H 95 8.630 8.783 -0.153 1 1 1232 . 6 1 1 A 95 95 SER HA H 95 4.350 4.591 -0.241 1 1 1235 . 6 1 1 A 95 95 SER C C 95 173.800 174.367 -0.567 1 1 1236 . 6 1 1 A 95 95 SER CA C 95 58.900 59.148 -0.248 1 1 1237 . 6 1 1 A 95 95 SER CB C 95 63.400 63.867 -0.467 1 1 1238 . 6 1 1 A 95 95 SER N N 95 115.700 118.823 -3.123 1 1 1239 . 6 1 1 A 96 96 GLU H H 96 7.230 7.570 -0.340 1 1 1240 . 6 1 1 A 96 96 GLU HA H 96 4.750 4.857 -0.107 1 1 1245 . 6 1 1 A 96 96 GLU CA C 96 53.000 52.865 0.135 1 1 1246 . 6 1 1 A 96 96 GLU CB C 96 30.700 32.372 -1.672 1 1 1248 . 6 1 1 A 96 96 GLU N N 96 121.600 120.594 1.006 1 1 1249 . 6 1 1 A 97 97 PRO HA H 97 4.250 4.820 -0.570 1 1 1256 . 6 1 1 A 97 97 PRO CA C 97 62.400 62.353 0.047 1 1 1257 . 6 1 1 A 97 97 PRO CB C 97 32.600 32.550 0.050 1 1 1260 . 6 1 1 A 98 98 ILE H H 98 7.920 8.197 -0.277 1 1 1261 . 6 1 1 A 98 98 ILE HA H 98 4.070 4.311 -0.241 1 1 1271 . 6 1 1 A 98 98 ILE C C 98 175.400 177.338 -1.938 1 1 1272 . 6 1 1 A 98 98 ILE CA C 98 59.300 59.253 0.047 1 1 1273 . 6 1 1 A 98 98 ILE CB C 98 38.300 40.198 -1.898 1 1 1277 . 6 1 1 A 98 98 ILE N N 98 122.700 118.102 4.598 1 1 1278 . 6 1 1 A 99 99 GLU H H 99 8.550 8.793 -0.243 1 1 1279 . 6 1 1 A 99 99 GLU HA H 99 4.260 3.831 0.429 1 1 1284 . 6 1 1 A 99 99 GLU C C 99 175.100 176.863 -1.763 1 1 1285 . 6 1 1 A 99 99 GLU CA C 99 55.500 59.476 -3.976 1 1 1286 . 6 1 1 A 99 99 GLU CB C 99 30.000 29.823 0.177 1 1 1288 . 6 1 1 A 99 99 GLU N N 99 127.900 123.666 4.234 1 1 1289 . 6 1 1 A 100 100 VAL H H 100 7.970 7.755 0.215 1 1 1290 . 6 1 1 A 100 100 VAL HA H 100 3.980 3.642 0.338 1 1 1298 . 6 1 1 A 100 100 VAL C C 100 176.700 177.342 -0.642 1 1 1299 . 6 1 1 A 100 100 VAL CA C 100 61.000 65.206 -4.206 1 1 1300 . 6 1 1 A 100 100 VAL CB C 100 33.000 30.160 2.840 1 1 1303 . 6 1 1 A 100 100 VAL N N 100 121.100 118.104 2.996 1 1 1304 . 6 1 1 A 101 101 GLY H H 101 8.520 9.294 -0.774 1 1 1305 . 6 1 1 A 101 101 GLY HA2 H 101 3.830 3.696 0.134 1 1 1306 . 6 1 1 A 101 101 GLY HA3 H 101 3.980 3.711 0.269 1 1 1307 . 6 1 1 A 101 101 GLY C C 101 174.200 174.247 -0.047 1 1 1308 . 6 1 1 A 101 101 GLY CA C 101 45.800 47.031 -1.231 1 1 1309 . 6 1 1 A 101 101 GLY N N 101 114.000 108.525 5.475 1 1 1310 . 6 1 1 A 102 102 LEU H H 102 8.100 7.583 0.517 1 1 1311 . 6 1 1 A 102 102 LEU HA H 102 4.170 4.492 -0.322 1 1 1320 . 6 1 1 A 102 102 LEU C C 102 177.700 173.947 3.753 1 1 1321 . 6 1 1 A 102 102 LEU CA C 102 55.500 52.607 2.893 1 1 1322 . 6 1 1 A 102 102 LEU CB C 102 42.600 43.980 -1.380 1 1 1326 . 6 1 1 A 102 102 LEU N N 102 121.000 118.332 2.668 1 1 1327 . 6 1 1 A 103 103 GLU H H 103 8.420 8.602 -0.182 1 1 1328 . 6 1 1 A 103 103 GLU HA H 103 4.090 4.576 -0.486 1 1 1333 . 6 1 1 A 103 103 GLU C C 103 176.400 176.089 0.311 1 1 1334 . 6 1 1 A 103 103 GLU CA C 103 57.100 54.826 2.274 1 1 1335 . 6 1 1 A 103 103 GLU CB C 103 29.900 31.042 -1.142 1 1 1337 . 6 1 1 A 103 103 GLU N N 103 120.000 121.966 -1.966 1 1 1338 . 6 1 1 A 104 104 HIS H H 104 8.180 8.592 -0.412 1 1 1339 . 6 1 1 A 104 104 HIS HA H 104 4.580 4.236 0.344 1 1 1342 . 6 1 1 A 104 104 HIS C C 104 173.800 176.536 -2.736 1 1 1343 . 6 1 1 A 104 104 HIS CA C 104 55.700 58.225 -2.525 1 1 1344 . 6 1 1 A 104 104 HIS CB C 104 30.000 28.380 1.620 1 1 1345 . 6 1 1 A 104 104 HIS N N 104 119.000 125.610 -6.610 1 1 1346 . 6 1 1 A 105 105 HIS H H 105 8.160 8.931 -0.771 1 1 1347 . 6 1 1 A 105 105 HIS HA H 105 4.380 4.181 0.199 1 1 1350 . 6 1 1 A 105 105 HIS CA C 105 57.200 59.651 -2.451 1 1 1351 . 6 1 1 A 105 105 HIS CB C 105 30.000 29.530 0.470 1 1 1 . 7 1 1 A 3 3 PRO HA H 3 4.430 4.579 -0.149 1 1 8 . 7 1 1 A 3 3 PRO C C 3 175.600 176.115 -0.515 1 1 9 . 7 1 1 A 3 3 PRO CA C 3 62.510 62.219 0.291 1 1 10 . 7 1 1 A 3 3 PRO CB C 3 32.000 32.621 -0.621 1 1 13 . 7 1 1 A 4 4 GLN H H 4 8.580 8.506 0.074 1 1 14 . 7 1 1 A 4 4 GLN HA H 4 4.260 4.567 -0.307 1 1 21 . 7 1 1 A 4 4 GLN C C 4 176.900 175.391 1.509 1 1 22 . 7 1 1 A 4 4 GLN CA C 4 55.700 56.044 -0.344 1 1 23 . 7 1 1 A 4 4 GLN CB C 4 29.200 29.183 0.017 1 1 25 . 7 1 1 A 4 4 GLN N N 4 120.000 120.802 -0.802 1 1 27 . 7 1 1 A 5 5 LEU H H 5 8.920 8.965 -0.045 1 1 28 . 7 1 1 A 5 5 LEU HA H 5 4.660 5.151 -0.491 1 1 38 . 7 1 1 A 5 5 LEU C C 5 176.900 176.233 0.667 1 1 39 . 7 1 1 A 5 5 LEU CA C 5 54.700 54.065 0.635 1 1 40 . 7 1 1 A 5 5 LEU CB C 5 43.000 43.190 -0.190 1 1 44 . 7 1 1 A 5 5 LEU N N 5 128.500 126.202 2.298 1 1 45 . 7 1 1 A 6 6 THR H H 6 8.750 8.862 -0.112 1 1 46 . 7 1 1 A 6 6 THR HA H 6 4.530 5.020 -0.490 1 1 51 . 7 1 1 A 6 6 THR C C 6 173.700 173.813 -0.113 1 1 52 . 7 1 1 A 6 6 THR CA C 6 61.600 61.197 0.403 1 1 53 . 7 1 1 A 6 6 THR CB C 6 72.000 71.393 0.607 1 1 55 . 7 1 1 A 6 6 THR N N 6 121.000 121.480 -0.480 1 1 56 . 7 1 1 A 7 7 LYS H H 7 9.080 8.875 0.205 1 1 57 . 7 1 1 A 7 7 LYS HA H 7 4.430 4.486 -0.056 1 1 66 . 7 1 1 A 7 7 LYS C C 7 178.600 178.239 0.361 1 1 67 . 7 1 1 A 7 7 LYS CA C 7 54.300 54.547 -0.247 1 1 68 . 7 1 1 A 7 7 LYS CB C 7 32.300 33.951 -1.651 1 1 72 . 7 1 1 A 7 7 LYS N N 7 126.300 124.373 1.927 1 1 73 . 7 1 1 A 8 8 ILE H H 8 9.870 8.414 1.456 1 1 74 . 7 1 1 A 8 8 ILE HA H 8 3.240 3.768 -0.528 1 1 82 . 7 1 1 A 8 8 ILE C C 8 178.700 177.921 0.779 1 1 83 . 7 1 1 A 8 8 ILE CA C 8 66.800 65.365 1.435 1 1 84 . 7 1 1 A 8 8 ILE CB C 8 36.400 37.494 -1.094 1 1 87 . 7 1 1 A 8 8 ILE N N 8 124.700 122.648 2.052 1 1 88 . 7 1 1 A 9 9 VAL H H 9 8.340 8.039 0.301 1 1 89 . 7 1 1 A 9 9 VAL HA H 9 3.930 3.903 0.027 1 1 97 . 7 1 1 A 9 9 VAL C C 9 178.700 176.927 1.773 1 1 98 . 7 1 1 A 9 9 VAL CA C 9 63.300 64.428 -1.128 1 1 99 . 7 1 1 A 9 9 VAL CB C 9 31.700 31.540 0.160 1 1 102 . 7 1 1 A 9 9 VAL N N 9 119.500 120.464 -0.964 1 1 103 . 7 1 1 A 10 10 ASP H H 10 7.510 7.689 -0.179 1 1 104 . 7 1 1 A 10 10 ASP HA H 10 4.730 4.659 0.071 1 1 107 . 7 1 1 A 10 10 ASP C C 10 174.500 176.190 -1.690 1 1 108 . 7 1 1 A 10 10 ASP CA C 10 54.400 53.400 1.000 1 1 109 . 7 1 1 A 10 10 ASP CB C 10 41.100 41.011 0.089 1 1 110 . 7 1 1 A 10 10 ASP N N 10 119.100 120.298 -1.198 1 1 111 . 7 1 1 A 11 11 ILE H H 11 7.460 7.492 -0.032 1 1 112 . 7 1 1 A 11 11 ILE HA H 11 3.800 4.070 -0.270 1 1 122 . 7 1 1 A 11 11 ILE C C 11 174.900 176.357 -1.457 1 1 123 . 7 1 1 A 11 11 ILE CA C 11 62.100 60.664 1.436 1 1 124 . 7 1 1 A 11 11 ILE CB C 11 35.300 38.111 -2.811 1 1 128 . 7 1 1 A 11 11 ILE N N 11 124.200 121.459 2.741 1 1 129 . 7 1 1 A 12 12 VAL H H 12 8.530 8.554 -0.024 1 1 130 . 7 1 1 A 12 12 VAL HA H 12 4.260 4.290 -0.030 1 1 138 . 7 1 1 A 12 12 VAL C C 12 174.900 175.111 -0.211 1 1 139 . 7 1 1 A 12 12 VAL CA C 12 60.600 61.114 -0.514 1 1 140 . 7 1 1 A 12 12 VAL CB C 12 35.400 33.871 1.529 1 1 143 . 7 1 1 A 12 12 VAL N N 12 118.400 118.786 -0.386 1 1 144 . 7 1 1 A 13 13 GLU H H 13 7.430 7.317 0.113 1 1 145 . 7 1 1 A 13 13 GLU HA H 13 4.590 5.009 -0.419 1 1 150 . 7 1 1 A 13 13 GLU C C 13 173.800 174.730 -0.930 1 1 151 . 7 1 1 A 13 13 GLU CA C 13 54.800 54.342 0.458 1 1 152 . 7 1 1 A 13 13 GLU CB C 13 33.160 33.376 -0.216 1 1 154 . 7 1 1 A 13 13 GLU N N 13 120.100 122.562 -2.462 1 1 155 . 7 1 1 A 14 14 ASN H H 14 8.800 8.846 -0.046 1 1 156 . 7 1 1 A 14 14 ASN HA H 14 4.110 4.977 -0.867 1 1 161 . 7 1 1 A 14 14 ASN C C 14 176.600 175.767 0.833 1 1 162 . 7 1 1 A 14 14 ASN CA C 14 54.600 52.425 2.175 1 1 163 . 7 1 1 A 14 14 ASN CB C 14 38.900 39.501 -0.601 1 1 164 . 7 1 1 A 14 14 ASN N N 14 121.500 123.535 -2.035 1 1 166 . 7 1 1 A 15 15 GLY H H 15 8.620 9.278 -0.658 1 1 167 . 7 1 1 A 15 15 GLY HA2 H 15 3.460 3.711 -0.251 1 1 168 . 7 1 1 A 15 15 GLY HA3 H 15 4.110 3.802 0.308 1 1 169 . 7 1 1 A 15 15 GLY C C 15 173.100 173.354 -0.254 1 1 170 . 7 1 1 A 15 15 GLY CA C 15 45.300 45.842 -0.542 1 1 171 . 7 1 1 A 15 15 GLY N N 15 114.900 110.250 4.650 1 1 172 . 7 1 1 A 16 16 GLN H H 16 7.280 7.690 -0.410 1 1 173 . 7 1 1 A 16 16 GLN HA H 16 4.160 4.652 -0.492 1 1 180 . 7 1 1 A 16 16 GLN C C 16 174.400 174.821 -0.421 1 1 181 . 7 1 1 A 16 16 GLN CA C 16 56.300 54.529 1.771 1 1 182 . 7 1 1 A 16 16 GLN CB C 16 30.300 30.651 -0.351 1 1 184 . 7 1 1 A 16 16 GLN N N 16 121.500 120.040 1.460 1 1 186 . 7 1 1 A 17 17 TRP H H 17 8.640 8.963 -0.323 1 1 187 . 7 1 1 A 17 17 TRP HA H 17 5.400 5.241 0.159 1 1 196 . 7 1 1 A 17 17 TRP C C 17 176.900 176.073 0.827 1 1 197 . 7 1 1 A 17 17 TRP CA C 17 56.400 56.727 -0.327 1 1 198 . 7 1 1 A 17 17 TRP CB C 17 30.300 30.880 -0.580 1 1 204 . 7 1 1 A 17 17 TRP N N 17 125.500 126.332 -0.832 1 1 206 . 7 1 1 A 18 18 ALA H H 18 9.020 8.717 0.303 1 1 207 . 7 1 1 A 18 18 ALA HA H 18 4.650 4.936 -0.286 1 1 211 . 7 1 1 A 18 18 ALA C C 18 174.100 175.067 -0.967 1 1 212 . 7 1 1 A 18 18 ALA CA C 18 51.430 51.423 0.007 1 1 213 . 7 1 1 A 18 18 ALA CB C 18 22.600 23.884 -1.284 1 1 214 . 7 1 1 A 18 18 ALA N N 18 124.000 122.767 1.233 1 1 215 . 7 1 1 A 19 19 ASN H H 19 8.250 8.169 0.081 1 1 216 . 7 1 1 A 19 19 ASN HA H 19 5.710 5.649 0.061 1 1 221 . 7 1 1 A 19 19 ASN C C 19 173.500 174.155 -0.655 1 1 222 . 7 1 1 A 19 19 ASN CA C 19 51.600 52.066 -0.466 1 1 223 . 7 1 1 A 19 19 ASN CB C 19 40.100 42.240 -2.140 1 1 224 . 7 1 1 A 19 19 ASN N N 19 116.500 116.693 -0.193 1 1 226 . 7 1 1 A 20 20 LEU H H 20 9.280 8.492 0.788 1 1 227 . 7 1 1 A 20 20 LEU HA H 20 4.930 4.887 0.043 1 1 236 . 7 1 1 A 20 20 LEU C C 20 174.800 174.751 0.049 1 1 237 . 7 1 1 A 20 20 LEU CA C 20 54.200 53.698 0.502 1 1 238 . 7 1 1 A 20 20 LEU CB C 20 46.300 45.111 1.189 1 1 241 . 7 1 1 A 20 20 LEU N N 20 121.800 119.516 2.284 1 1 242 . 7 1 1 A 21 21 LYS H H 21 8.550 8.638 -0.088 1 1 243 . 7 1 1 A 21 21 LYS HA H 21 5.450 5.239 0.211 1 1 252 . 7 1 1 A 21 21 LYS C C 21 174.800 174.667 0.133 1 1 253 . 7 1 1 A 21 21 LYS CA C 21 55.350 54.233 1.117 1 1 254 . 7 1 1 A 21 21 LYS CB C 21 34.300 36.559 -2.259 1 1 258 . 7 1 1 A 21 21 LYS N N 21 122.500 116.742 5.758 1 1 259 . 7 1 1 A 22 22 ALA H H 22 9.090 8.143 0.947 1 1 260 . 7 1 1 A 22 22 ALA HA H 22 4.830 4.870 -0.040 1 1 264 . 7 1 1 A 22 22 ALA C C 22 173.800 175.024 -1.224 1 1 265 . 7 1 1 A 22 22 ALA CA C 22 51.300 50.879 0.421 1 1 266 . 7 1 1 A 22 22 ALA CB C 22 24.700 23.462 1.238 1 1 267 . 7 1 1 A 22 22 ALA N N 22 123.200 121.006 2.194 1 1 268 . 7 1 1 A 23 23 LYS H H 23 9.190 8.274 0.916 1 1 269 . 7 1 1 A 23 23 LYS HA H 23 5.080 4.717 0.363 1 1 276 . 7 1 1 A 23 23 LYS C C 23 176.900 175.577 1.323 1 1 277 . 7 1 1 A 23 23 LYS CA C 23 54.100 55.240 -1.140 1 1 278 . 7 1 1 A 23 23 LYS CB C 23 35.800 33.671 2.129 1 1 281 . 7 1 1 A 23 23 LYS N N 23 121.100 121.530 -0.430 1 1 282 . 7 1 1 A 24 24 VAL H H 24 8.620 8.564 0.056 1 1 283 . 7 1 1 A 24 24 VAL HA H 24 4.110 4.252 -0.142 1 1 291 . 7 1 1 A 24 24 VAL C C 24 175.800 175.609 0.191 1 1 292 . 7 1 1 A 24 24 VAL CA C 24 62.750 62.750 0.000 1 1 293 . 7 1 1 A 24 24 VAL CB C 24 30.500 31.123 -0.623 1 1 296 . 7 1 1 A 24 24 VAL N N 24 125.600 126.019 -0.419 1 1 297 . 7 1 1 A 25 25 ILE H H 25 8.430 8.851 -0.421 1 1 298 . 7 1 1 A 25 25 ILE HA H 25 4.210 4.070 0.140 1 1 308 . 7 1 1 A 25 25 ILE C C 25 176.700 175.943 0.757 1 1 309 . 7 1 1 A 25 25 ILE CA C 25 62.100 62.758 -0.658 1 1 310 . 7 1 1 A 25 25 ILE CB C 25 38.300 38.849 -0.549 1 1 314 . 7 1 1 A 25 25 ILE N N 25 127.400 129.252 -1.852 1 1 315 . 7 1 1 A 26 26 GLN H H 26 7.590 7.639 -0.049 1 1 316 . 7 1 1 A 26 26 GLN HA H 26 4.560 4.751 -0.191 1 1 323 . 7 1 1 A 26 26 GLN C C 26 173.700 173.961 -0.261 1 1 324 . 7 1 1 A 26 26 GLN CA C 26 55.400 55.471 -0.071 1 1 325 . 7 1 1 A 26 26 GLN CB C 26 34.100 32.123 1.977 1 1 327 . 7 1 1 A 26 26 GLN N N 26 117.100 118.240 -1.140 1 1 329 . 7 1 1 A 27 27 LEU H H 27 8.470 8.647 -0.177 1 1 330 . 7 1 1 A 27 27 LEU HA H 27 4.710 5.504 -0.794 1 1 340 . 7 1 1 A 27 27 LEU C C 27 176.200 175.828 0.372 1 1 341 . 7 1 1 A 27 27 LEU CA C 27 54.100 53.142 0.958 1 1 342 . 7 1 1 A 27 27 LEU CB C 27 44.000 46.135 -2.135 1 1 346 . 7 1 1 A 27 27 LEU N N 27 123.600 119.701 3.899 1 1 347 . 7 1 1 A 28 28 TRP H H 28 8.850 9.181 -0.331 1 1 348 . 7 1 1 A 28 28 TRP HA H 28 5.180 5.146 0.034 1 1 357 . 7 1 1 A 28 28 TRP C C 28 175.900 176.026 -0.126 1 1 358 . 7 1 1 A 28 28 TRP CA C 28 53.300 55.705 -2.405 1 1 359 . 7 1 1 A 28 28 TRP CB C 28 31.400 32.587 -1.187 1 1 365 . 7 1 1 A 28 28 TRP N N 28 123.900 119.570 4.330 1 1 367 . 7 1 1 A 29 29 GLU H H 29 8.620 8.491 0.129 1 1 368 . 7 1 1 A 29 29 GLU HA H 29 4.250 4.207 0.043 1 1 373 . 7 1 1 A 29 29 GLU C C 29 175.700 176.174 -0.474 1 1 374 . 7 1 1 A 29 29 GLU CA C 29 56.800 56.644 0.156 1 1 375 . 7 1 1 A 29 29 GLU CB C 29 30.000 29.846 0.154 1 1 377 . 7 1 1 A 29 29 GLU N N 29 120.700 123.747 -3.047 1 1 378 . 7 1 1 A 30 30 ASN H H 30 8.720 8.255 0.465 1 1 379 . 7 1 1 A 30 30 ASN HA H 30 4.870 4.718 0.152 1 1 384 . 7 1 1 A 30 30 ASN C C 30 174.800 176.221 -1.421 1 1 385 . 7 1 1 A 30 30 ASN CA C 30 53.800 53.659 0.141 1 1 386 . 7 1 1 A 30 30 ASN CB C 30 41.200 38.862 2.338 1 1 387 . 7 1 1 A 30 30 ASN N N 30 121.400 121.108 0.292 1 1 389 . 7 1 1 A 31 31 THR H H 31 8.300 8.857 -0.557 1 1 390 . 7 1 1 A 31 31 THR HA H 31 4.430 4.296 0.134 1 1 395 . 7 1 1 A 31 31 THR C C 31 174.200 174.062 0.138 1 1 396 . 7 1 1 A 31 31 THR CA C 31 61.000 61.682 -0.682 1 1 397 . 7 1 1 A 31 31 THR CB C 31 69.600 69.172 0.428 1 1 399 . 7 1 1 A 31 31 THR N N 31 114.200 113.271 0.929 1 1 400 . 7 1 1 A 32 32 HIS H H 32 7.840 7.506 0.334 1 1 401 . 7 1 1 A 32 32 HIS HA H 32 4.560 5.082 -0.522 1 1 405 . 7 1 1 A 32 32 HIS C C 32 177.300 174.990 2.310 1 1 406 . 7 1 1 A 32 32 HIS CA C 32 57.600 54.210 3.390 1 1 407 . 7 1 1 A 32 32 HIS CB C 32 32.000 33.572 -1.572 1 1 409 . 7 1 1 A 32 32 HIS N N 32 122.500 119.411 3.089 1 1 410 . 7 1 1 A 33 33 GLU H H 33 9.020 8.881 0.139 1 1 411 . 7 1 1 A 33 33 GLU HA H 33 4.120 4.289 -0.169 1 1 416 . 7 1 1 A 33 33 GLU C C 33 177.100 176.531 0.569 1 1 417 . 7 1 1 A 33 33 GLU CA C 33 59.000 55.984 3.016 1 1 418 . 7 1 1 A 33 33 GLU CB C 33 29.400 30.451 -1.051 1 1 420 . 7 1 1 A 33 33 GLU N N 33 127.300 121.493 5.807 1 1 421 . 7 1 1 A 34 34 SER H H 34 9.430 8.829 0.601 1 1 422 . 7 1 1 A 34 34 SER HA H 34 4.580 4.585 -0.005 1 1 425 . 7 1 1 A 34 34 SER C C 34 174.800 173.537 1.263 1 1 426 . 7 1 1 A 34 34 SER CA C 34 59.500 60.063 -0.563 1 1 427 . 7 1 1 A 34 34 SER CB C 34 63.600 61.875 1.725 1 1 428 . 7 1 1 A 34 34 SER N N 34 113.400 115.968 -2.568 1 1 429 . 7 1 1 A 35 35 ILE H H 35 7.920 8.385 -0.465 1 1 430 . 7 1 1 A 35 35 ILE HA H 35 4.080 3.522 0.558 1 1 440 . 7 1 1 A 35 35 ILE C C 35 174.300 176.452 -2.152 1 1 441 . 7 1 1 A 35 35 ILE CA C 35 61.600 61.175 0.425 1 1 442 . 7 1 1 A 35 35 ILE CB C 35 40.700 37.327 3.373 1 1 446 . 7 1 1 A 35 35 ILE N N 35 125.800 122.098 3.702 1 1 447 . 7 1 1 A 36 36 SER H H 36 9.010 9.011 -0.001 1 1 448 . 7 1 1 A 36 36 SER HA H 36 4.480 4.444 0.036 1 1 451 . 7 1 1 A 36 36 SER C C 36 174.900 174.127 0.773 1 1 452 . 7 1 1 A 36 36 SER CA C 36 58.800 59.539 -0.739 1 1 453 . 7 1 1 A 36 36 SER CB C 36 64.300 63.161 1.139 1 1 454 . 7 1 1 A 36 36 SER N N 36 119.100 120.716 -1.616 1 1 455 . 7 1 1 A 37 37 GLN H H 37 7.390 7.359 0.031 1 1 456 . 7 1 1 A 37 37 GLN HA H 37 4.690 4.629 0.061 1 1 463 . 7 1 1 A 37 37 GLN C C 37 171.800 173.440 -1.640 1 1 464 . 7 1 1 A 37 37 GLN CA C 37 54.900 55.008 -0.108 1 1 465 . 7 1 1 A 37 37 GLN CB C 37 36.200 32.167 4.033 1 1 466 . 7 1 1 A 37 37 GLN N N 37 116.500 118.780 -2.280 1 1 468 . 7 1 1 A 38 38 VAL H H 38 8.640 8.634 0.006 1 1 469 . 7 1 1 A 38 38 VAL HA H 38 4.160 4.497 -0.337 1 1 477 . 7 1 1 A 38 38 VAL C C 38 172.400 174.874 -2.474 1 1 478 . 7 1 1 A 38 38 VAL CA C 38 58.500 59.974 -1.474 1 1 479 . 7 1 1 A 38 38 VAL CB C 38 35.300 35.985 -0.685 1 1 482 . 7 1 1 A 38 38 VAL N N 38 120.400 123.303 -2.903 1 1 483 . 7 1 1 A 39 39 GLY H H 39 6.440 7.545 -1.105 1 1 484 . 7 1 1 A 39 39 GLY HA2 H 39 3.690 4.334 -0.644 1 1 485 . 7 1 1 A 39 39 GLY HA3 H 39 1.940 4.413 -2.473 1 1 486 . 7 1 1 A 39 39 GLY C C 39 170.600 171.765 -1.165 1 1 487 . 7 1 1 A 39 39 GLY CA C 39 45.300 46.394 -1.094 1 1 488 . 7 1 1 A 39 39 GLY N N 39 109.600 110.531 -0.931 1 1 489 . 7 1 1 A 40 40 LEU H H 40 8.380 8.419 -0.039 1 1 490 . 7 1 1 A 40 40 LEU HA H 40 4.980 5.363 -0.383 1 1 499 . 7 1 1 A 40 40 LEU C C 40 176.000 176.163 -0.163 1 1 500 . 7 1 1 A 40 40 LEU CA C 40 53.200 53.419 -0.219 1 1 501 . 7 1 1 A 40 40 LEU CB C 40 47.400 45.612 1.788 1 1 504 . 7 1 1 A 40 40 LEU N N 40 119.500 122.210 -2.710 1 1 505 . 7 1 1 A 41 41 LEU H H 41 9.410 8.960 0.450 1 1 506 . 7 1 1 A 41 41 LEU HA H 41 5.320 5.355 -0.035 1 1 516 . 7 1 1 A 41 41 LEU C C 41 176.700 175.876 0.824 1 1 517 . 7 1 1 A 41 41 LEU CA C 41 52.400 52.889 -0.489 1 1 518 . 7 1 1 A 41 41 LEU CB C 41 44.900 44.832 0.068 1 1 522 . 7 1 1 A 41 41 LEU N N 41 122.700 122.556 0.144 1 1 523 . 7 1 1 A 42 42 GLY H H 42 9.210 9.634 -0.424 1 1 524 . 7 1 1 A 42 42 GLY HA2 H 42 3.550 4.134 -0.584 1 1 525 . 7 1 1 A 42 42 GLY HA3 H 42 5.350 4.137 1.213 1 1 526 . 7 1 1 A 42 42 GLY C C 42 171.200 171.700 -0.500 1 1 527 . 7 1 1 A 42 42 GLY CA C 42 45.700 45.255 0.445 1 1 528 . 7 1 1 A 42 42 GLY N N 42 104.600 112.138 -7.538 1 1 529 . 7 1 1 A 43 43 ASP H H 43 8.960 8.845 0.115 1 1 530 . 7 1 1 A 43 43 ASP HA H 43 4.640 5.056 -0.416 1 1 533 . 7 1 1 A 43 43 ASP C C 43 175.600 176.445 -0.845 1 1 534 . 7 1 1 A 43 43 ASP CA C 43 52.700 52.863 -0.163 1 1 535 . 7 1 1 A 43 43 ASP CB C 43 41.600 43.128 -1.528 1 1 536 . 7 1 1 A 43 43 ASP N N 43 121.900 125.905 -4.005 1 1 537 . 7 1 1 A 44 44 GLU H H 44 10.150 9.014 1.136 1 1 538 . 7 1 1 A 44 44 GLU HA H 44 4.380 4.028 0.352 1 1 543 . 7 1 1 A 44 44 GLU C C 44 176.900 177.714 -0.814 1 1 544 . 7 1 1 A 44 44 GLU CA C 44 59.300 58.866 0.434 1 1 545 . 7 1 1 A 44 44 GLU CB C 44 28.100 29.631 -1.531 1 1 547 . 7 1 1 A 44 44 GLU N N 44 118.000 125.767 -7.767 1 1 548 . 7 1 1 A 45 45 THR H H 45 9.600 7.684 1.916 1 1 549 . 7 1 1 A 45 45 THR HA H 45 4.580 4.477 0.103 1 1 554 . 7 1 1 A 45 45 THR C C 45 174.800 173.874 0.926 1 1 555 . 7 1 1 A 45 45 THR CA C 45 61.700 62.389 -0.689 1 1 556 . 7 1 1 A 45 45 THR CB C 45 70.000 69.538 0.462 1 1 558 . 7 1 1 A 45 45 THR N N 45 112.000 109.383 2.617 1 1 559 . 7 1 1 A 46 46 GLY H H 46 7.640 7.248 0.392 1 1 560 . 7 1 1 A 46 46 GLY HA2 H 46 3.830 4.114 -0.284 1 1 561 . 7 1 1 A 46 46 GLY HA3 H 46 4.000 4.119 -0.119 1 1 562 . 7 1 1 A 46 46 GLY C C 46 169.400 171.417 -2.017 1 1 563 . 7 1 1 A 46 46 GLY CA C 46 46.000 45.280 0.720 1 1 564 . 7 1 1 A 46 46 GLY N N 46 110.600 107.787 2.813 1 1 565 . 7 1 1 A 47 47 ILE H H 47 8.000 8.503 -0.503 1 1 566 . 7 1 1 A 47 47 ILE HA H 47 5.450 5.363 0.087 1 1 576 . 7 1 1 A 47 47 ILE C C 47 175.200 174.194 1.006 1 1 577 . 7 1 1 A 47 47 ILE CA C 47 59.100 58.535 0.565 1 1 578 . 7 1 1 A 47 47 ILE CB C 47 42.400 42.535 -0.135 1 1 582 . 7 1 1 A 47 47 ILE N N 47 113.900 118.620 -4.720 1 1 583 . 7 1 1 A 48 48 ILE H H 48 9.340 8.406 0.934 1 1 584 . 7 1 1 A 48 48 ILE HA H 48 4.640 4.780 -0.140 1 1 594 . 7 1 1 A 48 48 ILE C C 48 171.500 174.310 -2.810 1 1 595 . 7 1 1 A 48 48 ILE CA C 48 60.600 59.431 1.169 1 1 596 . 7 1 1 A 48 48 ILE CB C 48 42.000 41.465 0.535 1 1 600 . 7 1 1 A 48 48 ILE N N 48 123.600 122.058 1.542 1 1 601 . 7 1 1 A 49 49 LYS H H 49 8.350 8.336 0.014 1 1 602 . 7 1 1 A 49 49 LYS HA H 49 4.820 4.822 -0.002 1 1 611 . 7 1 1 A 49 49 LYS C C 49 174.700 176.189 -1.489 1 1 612 . 7 1 1 A 49 49 LYS CA C 49 56.400 56.443 -0.043 1 1 613 . 7 1 1 A 49 49 LYS CB C 49 33.800 34.633 -0.833 1 1 617 . 7 1 1 A 49 49 LYS N N 49 129.100 126.577 2.523 1 1 618 . 7 1 1 A 50 50 PHE H H 50 8.570 8.353 0.217 1 1 619 . 7 1 1 A 50 50 PHE HA H 50 5.820 5.557 0.263 1 1 627 . 7 1 1 A 50 50 PHE C C 50 172.100 172.265 -0.165 1 1 628 . 7 1 1 A 50 50 PHE CA C 50 54.800 56.360 -1.560 1 1 629 . 7 1 1 A 50 50 PHE CB C 50 43.900 41.981 1.919 1 1 635 . 7 1 1 A 50 50 PHE N N 50 122.700 116.969 5.731 1 1 636 . 7 1 1 A 51 51 THR H H 51 8.190 8.501 -0.311 1 1 637 . 7 1 1 A 51 51 THR HA H 51 4.320 4.717 -0.397 1 1 642 . 7 1 1 A 51 51 THR C C 51 172.900 172.728 0.172 1 1 643 . 7 1 1 A 51 51 THR CA C 51 61.700 59.984 1.716 1 1 644 . 7 1 1 A 51 51 THR CB C 51 72.500 71.139 1.361 1 1 646 . 7 1 1 A 51 51 THR N N 51 114.400 114.087 0.313 1 1 647 . 7 1 1 A 52 52 ILE H H 52 8.880 9.160 -0.280 1 1 648 . 7 1 1 A 52 52 ILE HA H 52 4.650 4.805 -0.155 1 1 658 . 7 1 1 A 52 52 ILE C C 52 176.000 175.342 0.658 1 1 659 . 7 1 1 A 52 52 ILE CA C 52 60.500 60.342 0.158 1 1 660 . 7 1 1 A 52 52 ILE CB C 52 38.900 39.654 -0.754 1 1 664 . 7 1 1 A 52 52 ILE N N 52 123.400 127.397 -3.997 1 1 665 . 7 1 1 A 53 53 TRP H H 53 8.020 8.795 -0.775 1 1 666 . 7 1 1 A 53 53 TRP HA H 53 4.740 4.954 -0.214 1 1 675 . 7 1 1 A 53 53 TRP C C 53 177.500 177.310 0.190 1 1 676 . 7 1 1 A 53 53 TRP CA C 53 57.700 56.708 0.992 1 1 677 . 7 1 1 A 53 53 TRP CB C 53 30.400 31.078 -0.678 1 1 683 . 7 1 1 A 53 53 TRP N N 53 129.500 128.240 1.260 1 1 685 . 7 1 1 A 54 54 LYS H H 54 8.980 8.521 0.459 1 1 686 . 7 1 1 A 54 54 LYS HA H 54 4.100 4.023 0.077 1 1 695 . 7 1 1 A 54 54 LYS C C 54 177.700 178.312 -0.612 1 1 696 . 7 1 1 A 54 54 LYS CA C 54 59.400 59.201 0.199 1 1 697 . 7 1 1 A 54 54 LYS CB C 54 32.400 32.473 -0.073 1 1 701 . 7 1 1 A 54 54 LYS N N 54 125.500 124.310 1.190 1 1 702 . 7 1 1 A 55 55 ASN H H 55 8.600 8.390 0.210 1 1 703 . 7 1 1 A 55 55 ASN HA H 55 4.510 4.450 0.060 1 1 708 . 7 1 1 A 55 55 ASN C C 55 175.300 177.238 -1.938 1 1 709 . 7 1 1 A 55 55 ASN CA C 55 53.700 56.227 -2.527 1 1 710 . 7 1 1 A 55 55 ASN CB C 55 37.100 38.092 -0.992 1 1 711 . 7 1 1 A 55 55 ASN N N 55 115.400 117.062 -1.662 1 1 713 . 7 1 1 A 56 56 ALA H H 56 7.630 7.528 0.102 1 1 714 . 7 1 1 A 56 56 ALA HA H 56 3.970 4.595 -0.625 1 1 718 . 7 1 1 A 56 56 ALA C C 56 176.100 176.825 -0.725 1 1 719 . 7 1 1 A 56 56 ALA CA C 56 53.500 52.703 0.797 1 1 720 . 7 1 1 A 56 56 ALA CB C 56 18.400 19.628 -1.228 1 1 721 . 7 1 1 A 56 56 ALA N N 56 121.200 119.220 1.980 1 1 722 . 7 1 1 A 57 57 GLU H H 57 7.880 7.897 -0.017 1 1 723 . 7 1 1 A 57 57 GLU HA H 57 3.940 3.857 0.083 1 1 728 . 7 1 1 A 57 57 GLU C C 57 175.400 175.017 0.383 1 1 729 . 7 1 1 A 57 57 GLU CA C 57 56.700 57.407 -0.707 1 1 730 . 7 1 1 A 57 57 GLU CB C 57 27.300 27.355 -0.055 1 1 732 . 7 1 1 A 57 57 GLU N N 57 112.500 115.693 -3.193 1 1 733 . 7 1 1 A 58 58 LEU H H 58 7.910 7.832 0.078 1 1 734 . 7 1 1 A 58 58 LEU HA H 58 4.740 4.793 -0.053 1 1 744 . 7 1 1 A 58 58 LEU C C 58 175.400 174.629 0.771 1 1 745 . 7 1 1 A 58 58 LEU CA C 58 52.300 51.682 0.618 1 1 746 . 7 1 1 A 58 58 LEU CB C 58 42.900 43.286 -0.386 1 1 750 . 7 1 1 A 58 58 LEU N N 58 120.000 120.172 -0.172 1 1 751 . 7 1 1 A 59 59 PRO HA H 59 4.380 4.561 -0.181 1 1 758 . 7 1 1 A 59 59 PRO CA C 59 62.200 62.417 -0.217 1 1 759 . 7 1 1 A 59 59 PRO CB C 59 32.000 32.246 -0.246 1 1 762 . 7 1 1 A 60 60 LEU H H 60 7.860 8.302 -0.442 1 1 763 . 7 1 1 A 60 60 LEU HA H 60 3.920 4.438 -0.518 1 1 773 . 7 1 1 A 60 60 LEU C C 60 178.300 177.349 0.951 1 1 774 . 7 1 1 A 60 60 LEU CA C 60 55.000 54.786 0.214 1 1 775 . 7 1 1 A 60 60 LEU CB C 60 41.800 42.562 -0.762 1 1 779 . 7 1 1 A 60 60 LEU N N 60 117.500 123.204 -5.704 1 1 780 . 7 1 1 A 61 61 LEU H H 61 9.680 7.908 1.772 1 1 781 . 7 1 1 A 61 61 LEU HA H 61 4.040 4.083 -0.043 1 1 791 . 7 1 1 A 61 61 LEU C C 61 177.300 176.380 0.920 1 1 792 . 7 1 1 A 61 61 LEU CA C 61 54.100 53.955 0.145 1 1 793 . 7 1 1 A 61 61 LEU CB C 61 41.300 42.379 -1.079 1 1 797 . 7 1 1 A 61 61 LEU N N 61 122.300 124.252 -1.952 1 1 798 . 7 1 1 A 62 62 GLU H H 62 8.390 9.483 -1.093 1 1 799 . 7 1 1 A 62 62 GLU HA H 62 4.430 4.817 -0.387 1 1 804 . 7 1 1 A 62 62 GLU C C 62 175.600 176.773 -1.173 1 1 805 . 7 1 1 A 62 62 GLU CA C 62 54.800 55.174 -0.374 1 1 806 . 7 1 1 A 62 62 GLU CB C 62 32.200 31.365 0.835 1 1 808 . 7 1 1 A 62 62 GLU N N 62 120.500 123.028 -2.528 1 1 809 . 7 1 1 A 63 63 GLN H H 63 8.780 8.747 0.033 1 1 810 . 7 1 1 A 63 63 GLN HA H 63 3.700 4.009 -0.309 1 1 817 . 7 1 1 A 63 63 GLN C C 63 176.600 176.818 -0.218 1 1 818 . 7 1 1 A 63 63 GLN CA C 63 58.100 57.773 0.327 1 1 819 . 7 1 1 A 63 63 GLN CB C 63 28.300 28.414 -0.114 1 1 821 . 7 1 1 A 63 63 GLN N N 63 123.300 125.532 -2.232 1 1 823 . 7 1 1 A 64 64 GLY H H 64 9.140 8.936 0.204 1 1 824 . 7 1 1 A 64 64 GLY HA2 H 64 3.580 4.004 -0.424 1 1 825 . 7 1 1 A 64 64 GLY HA3 H 64 4.390 4.006 0.384 1 1 826 . 7 1 1 A 64 64 GLY C C 64 173.900 174.277 -0.377 1 1 827 . 7 1 1 A 64 64 GLY CA C 64 45.300 44.928 0.372 1 1 828 . 7 1 1 A 64 64 GLY N N 64 115.100 114.941 0.159 1 1 829 . 7 1 1 A 65 65 GLU H H 65 7.590 7.611 -0.021 1 1 830 . 7 1 1 A 65 65 GLU HA H 65 4.490 4.611 -0.121 1 1 835 . 7 1 1 A 65 65 GLU C C 65 174.200 175.855 -1.655 1 1 836 . 7 1 1 A 65 65 GLU CA C 65 54.900 54.757 0.143 1 1 837 . 7 1 1 A 65 65 GLU CB C 65 30.500 31.221 -0.721 1 1 839 . 7 1 1 A 65 65 GLU N N 65 120.300 120.498 -0.198 1 1 840 . 7 1 1 A 66 66 SER H H 66 8.700 8.277 0.423 1 1 841 . 7 1 1 A 66 66 SER HA H 66 5.330 5.129 0.201 1 1 844 . 7 1 1 A 66 66 SER C C 66 174.100 173.170 0.930 1 1 845 . 7 1 1 A 66 66 SER CA C 66 58.300 56.576 1.724 1 1 846 . 7 1 1 A 66 66 SER CB C 66 65.500 64.909 0.591 1 1 847 . 7 1 1 A 66 66 SER N N 66 116.500 114.188 2.312 1 1 848 . 7 1 1 A 67 67 TYR H H 67 9.090 8.686 0.404 1 1 849 . 7 1 1 A 67 67 TYR HA H 67 5.110 5.043 0.067 1 1 856 . 7 1 1 A 67 67 TYR C C 67 173.900 174.561 -0.661 1 1 857 . 7 1 1 A 67 67 TYR CA C 67 57.500 56.353 1.147 1 1 858 . 7 1 1 A 67 67 TYR CB C 67 43.900 43.465 0.435 1 1 863 . 7 1 1 A 67 67 TYR N N 67 119.000 120.359 -1.359 1 1 864 . 7 1 1 A 68 68 LEU H H 68 9.230 9.003 0.227 1 1 865 . 7 1 1 A 68 68 LEU HA H 68 5.000 4.986 0.014 1 1 875 . 7 1 1 A 68 68 LEU C C 68 175.300 174.422 0.878 1 1 876 . 7 1 1 A 68 68 LEU CA C 68 54.300 54.084 0.216 1 1 877 . 7 1 1 A 68 68 LEU CB C 68 43.800 44.700 -0.900 1 1 881 . 7 1 1 A 68 68 LEU N N 68 121.800 124.453 -2.653 1 1 882 . 7 1 1 A 69 69 LEU H H 69 9.460 9.204 0.256 1 1 883 . 7 1 1 A 69 69 LEU HA H 69 5.010 4.956 0.054 1 1 893 . 7 1 1 A 69 69 LEU C C 69 175.000 175.611 -0.611 1 1 894 . 7 1 1 A 69 69 LEU CA C 69 54.100 53.932 0.168 1 1 895 . 7 1 1 A 69 69 LEU CB C 69 42.300 42.450 -0.150 1 1 899 . 7 1 1 A 69 69 LEU N N 69 128.500 128.573 -0.073 1 1 900 . 7 1 1 A 70 70 ARG H H 70 8.910 8.535 0.375 1 1 901 . 7 1 1 A 70 70 ARG HA H 70 4.850 4.823 0.027 1 1 909 . 7 1 1 A 70 70 ARG C C 70 176.400 175.935 0.465 1 1 910 . 7 1 1 A 70 70 ARG CA C 70 54.900 54.949 -0.049 1 1 911 . 7 1 1 A 70 70 ARG CB C 70 32.300 32.266 0.034 1 1 914 . 7 1 1 A 70 70 ARG N N 70 121.500 124.352 -2.852 1 1 916 . 7 1 1 A 71 71 SER H H 71 8.800 8.581 0.219 1 1 917 . 7 1 1 A 71 71 SER HA H 71 3.870 4.161 -0.291 1 1 920 . 7 1 1 A 71 71 SER C C 71 175.800 173.312 2.488 1 1 921 . 7 1 1 A 71 71 SER CA C 71 58.600 59.441 -0.841 1 1 922 . 7 1 1 A 71 71 SER CB C 71 62.000 61.371 0.629 1 1 923 . 7 1 1 A 71 71 SER N N 71 114.400 115.291 -0.891 1 1 924 . 7 1 1 A 72 72 VAL H H 72 8.750 7.480 1.270 1 1 925 . 7 1 1 A 72 72 VAL HA H 72 4.610 4.908 -0.298 1 1 933 . 7 1 1 A 72 72 VAL C C 72 173.300 174.040 -0.740 1 1 934 . 7 1 1 A 72 72 VAL CA C 72 59.300 59.615 -0.315 1 1 935 . 7 1 1 A 72 72 VAL CB C 72 31.900 34.709 -2.809 1 1 938 . 7 1 1 A 72 72 VAL N N 72 115.500 115.644 -0.144 1 1 939 . 7 1 1 A 73 73 VAL H H 73 7.940 8.282 -0.342 1 1 940 . 7 1 1 A 73 73 VAL HA H 73 4.760 4.729 0.031 1 1 948 . 7 1 1 A 73 73 VAL C C 73 174.300 173.581 0.719 1 1 949 . 7 1 1 A 73 73 VAL CA C 73 58.800 59.314 -0.514 1 1 950 . 7 1 1 A 73 73 VAL CB C 73 34.500 35.013 -0.513 1 1 953 . 7 1 1 A 73 73 VAL N N 73 118.200 121.613 -3.413 1 1 954 . 7 1 1 A 74 74 VAL H H 74 8.430 8.140 0.290 1 1 955 . 7 1 1 A 74 74 VAL HA H 74 4.560 4.852 -0.292 1 1 963 . 7 1 1 A 74 74 VAL C C 74 177.300 175.593 1.707 1 1 964 . 7 1 1 A 74 74 VAL CA C 74 62.100 60.861 1.239 1 1 965 . 7 1 1 A 74 74 VAL CB C 74 32.700 32.975 -0.275 1 1 968 . 7 1 1 A 74 74 VAL N N 74 127.800 125.719 2.081 1 1 969 . 7 1 1 A 75 75 GLY H H 75 9.040 8.970 0.070 1 1 970 . 7 1 1 A 75 75 GLY HA2 H 75 3.750 4.285 -0.535 1 1 971 . 7 1 1 A 75 75 GLY HA3 H 75 5.120 4.305 0.815 1 1 972 . 7 1 1 A 75 75 GLY C C 75 172.500 171.891 0.609 1 1 973 . 7 1 1 A 75 75 GLY CA C 75 43.700 43.897 -0.197 1 1 974 . 7 1 1 A 75 75 GLY N N 75 116.000 115.547 0.453 1 1 975 . 7 1 1 A 76 76 GLU H H 76 8.380 8.663 -0.283 1 1 976 . 7 1 1 A 76 76 GLU HA H 76 4.690 4.605 0.085 1 1 981 . 7 1 1 A 76 76 GLU C C 76 176.000 174.705 1.295 1 1 982 . 7 1 1 A 76 76 GLU CA C 76 56.100 55.255 0.845 1 1 983 . 7 1 1 A 76 76 GLU CB C 76 32.000 30.359 1.641 1 1 985 . 7 1 1 A 76 76 GLU N N 76 120.200 122.669 -2.469 1 1 986 . 7 1 1 A 77 77 TYR H H 77 8.430 8.867 -0.437 1 1 987 . 7 1 1 A 77 77 TYR HA H 77 4.570 4.847 -0.277 1 1 994 . 7 1 1 A 77 77 TYR C C 77 174.200 175.305 -1.105 1 1 995 . 7 1 1 A 77 77 TYR CA C 77 56.500 57.673 -1.173 1 1 996 . 7 1 1 A 77 77 TYR CB C 77 39.800 40.571 -0.771 1 1 1001 . 7 1 1 A 77 77 TYR N N 77 124.400 129.205 -4.805 1 1 1002 . 7 1 1 A 78 78 ASN H H 78 9.100 8.996 0.104 1 1 1003 . 7 1 1 A 78 78 ASN HA H 78 4.000 4.069 -0.069 1 1 1008 . 7 1 1 A 78 78 ASN C C 78 177.300 173.800 3.500 1 1 1009 . 7 1 1 A 78 78 ASN CA C 78 54.700 53.794 0.906 1 1 1010 . 7 1 1 A 78 78 ASN CB C 78 36.600 36.762 -0.162 1 1 1011 . 7 1 1 A 78 78 ASN N N 78 125.800 125.920 -0.120 1 1 1013 . 7 1 1 A 79 79 ASP H H 79 8.640 8.638 0.002 1 1 1014 . 7 1 1 A 79 79 ASP HA H 79 4.240 4.246 -0.006 1 1 1017 . 7 1 1 A 79 79 ASP C C 79 174.600 175.046 -0.446 1 1 1018 . 7 1 1 A 79 79 ASP CA C 79 54.900 55.402 -0.502 1 1 1019 . 7 1 1 A 79 79 ASP CB C 79 39.700 39.358 0.342 1 1 1020 . 7 1 1 A 79 79 ASP N N 79 115.700 110.351 5.349 1 1 1021 . 7 1 1 A 80 80 ARG H H 80 7.880 7.612 0.268 1 1 1022 . 7 1 1 A 80 80 ARG HA H 80 4.370 4.486 -0.116 1 1 1030 . 7 1 1 A 80 80 ARG C C 80 175.000 175.403 -0.403 1 1 1031 . 7 1 1 A 80 80 ARG CA C 80 54.200 54.563 -0.363 1 1 1032 . 7 1 1 A 80 80 ARG CB C 80 31.800 31.934 -0.134 1 1 1035 . 7 1 1 A 80 80 ARG N N 80 119.700 119.079 0.621 1 1 1037 . 7 1 1 A 81 81 PHE H H 81 8.410 8.848 -0.438 1 1 1038 . 7 1 1 A 81 81 PHE HA H 81 5.420 5.202 0.218 1 1 1046 . 7 1 1 A 81 81 PHE C C 81 174.400 175.185 -0.785 1 1 1047 . 7 1 1 A 81 81 PHE CA C 81 57.200 57.128 0.072 1 1 1048 . 7 1 1 A 81 81 PHE CB C 81 42.000 41.787 0.213 1 1 1054 . 7 1 1 A 81 81 PHE N N 81 120.700 119.620 1.080 1 1 1055 . 7 1 1 A 82 82 GLN H H 82 8.950 8.680 0.270 1 1 1056 . 7 1 1 A 82 82 GLN HA H 82 5.110 4.993 0.117 1 1 1063 . 7 1 1 A 82 82 GLN C C 82 172.400 174.270 -1.870 1 1 1064 . 7 1 1 A 82 82 GLN CA C 82 53.500 54.523 -1.023 1 1 1065 . 7 1 1 A 82 82 GLN CB C 82 31.900 33.377 -1.477 1 1 1067 . 7 1 1 A 82 82 GLN N N 82 115.000 119.992 -4.992 1 1 1069 . 7 1 1 A 83 83 VAL H H 83 9.090 8.440 0.650 1 1 1070 . 7 1 1 A 83 83 VAL HA H 83 4.380 4.965 -0.585 1 1 1078 . 7 1 1 A 83 83 VAL C C 83 174.600 174.828 -0.228 1 1 1079 . 7 1 1 A 83 83 VAL CA C 83 61.600 60.772 0.828 1 1 1080 . 7 1 1 A 83 83 VAL CB C 83 33.500 33.637 -0.137 1 1 1083 . 7 1 1 A 83 83 VAL N N 83 118.900 118.365 0.535 1 1 1084 . 7 1 1 A 84 84 GLN H H 84 9.280 8.716 0.564 1 1 1085 . 7 1 1 A 84 84 GLN HA H 84 5.020 5.000 0.020 1 1 1092 . 7 1 1 A 84 84 GLN C C 84 174.500 174.757 -0.257 1 1 1093 . 7 1 1 A 84 84 GLN CA C 84 54.400 54.698 -0.298 1 1 1094 . 7 1 1 A 84 84 GLN CB C 84 29.900 30.927 -1.027 1 1 1096 . 7 1 1 A 84 84 GLN N N 84 124.800 126.603 -1.803 1 1 1098 . 7 1 1 A 85 85 VAL H H 85 8.680 8.894 -0.214 1 1 1099 . 7 1 1 A 85 85 VAL HA H 85 4.300 4.635 -0.335 1 1 1107 . 7 1 1 A 85 85 VAL C C 85 174.500 175.008 -0.508 1 1 1108 . 7 1 1 A 85 85 VAL CA C 85 61.700 62.065 -0.365 1 1 1109 . 7 1 1 A 85 85 VAL CB C 85 31.700 32.282 -0.582 1 1 1112 . 7 1 1 A 85 85 VAL N N 85 125.500 124.820 0.680 1 1 1113 . 7 1 1 A 86 86 ASN H H 86 8.740 8.790 -0.050 1 1 1114 . 7 1 1 A 86 86 ASN HA H 86 5.240 5.234 0.006 1 1 1119 . 7 1 1 A 86 86 ASN C C 86 175.300 175.130 0.170 1 1 1120 . 7 1 1 A 86 86 ASN CA C 86 51.800 51.782 0.018 1 1 1121 . 7 1 1 A 86 86 ASN CB C 86 42.400 41.059 1.341 1 1 1122 . 7 1 1 A 86 86 ASN N N 86 124.000 123.566 0.434 1 1 1124 . 7 1 1 A 87 87 LYS H H 87 8.530 8.918 -0.388 1 1 1125 . 7 1 1 A 87 87 LYS HA H 87 4.210 3.995 0.215 1 1 1134 . 7 1 1 A 87 87 LYS C C 87 176.700 176.857 -0.157 1 1 1135 . 7 1 1 A 87 87 LYS CA C 87 59.000 58.021 0.979 1 1 1136 . 7 1 1 A 87 87 LYS CB C 87 32.400 30.861 1.539 1 1 1140 . 7 1 1 A 87 87 LYS N N 87 117.600 119.580 -1.980 1 1 1141 . 7 1 1 A 88 88 ASN H H 88 8.600 8.700 -0.100 1 1 1142 . 7 1 1 A 88 88 ASN HA H 88 4.810 4.918 -0.108 1 1 1147 . 7 1 1 A 88 88 ASN C C 88 175.600 174.979 0.621 1 1 1148 . 7 1 1 A 88 88 ASN CA C 88 54.100 53.209 0.891 1 1 1149 . 7 1 1 A 88 88 ASN CB C 88 39.100 38.764 0.336 1 1 1150 . 7 1 1 A 88 88 ASN N N 88 115.500 123.405 -7.905 1 1 1152 . 7 1 1 A 89 89 SER H H 89 8.150 7.438 0.712 1 1 1153 . 7 1 1 A 89 89 SER HA H 89 5.120 4.419 0.701 1 1 1156 . 7 1 1 A 89 89 SER C C 89 172.400 174.371 -1.971 1 1 1157 . 7 1 1 A 89 89 SER CA C 89 58.100 58.858 -0.758 1 1 1158 . 7 1 1 A 89 89 SER CB C 89 64.000 64.276 -0.276 1 1 1159 . 7 1 1 A 89 89 SER N N 89 117.500 115.600 1.900 1 1 1160 . 7 1 1 A 90 90 SER H H 90 8.200 8.329 -0.129 1 1 1161 . 7 1 1 A 90 90 SER HA H 90 4.680 5.251 -0.571 1 1 1164 . 7 1 1 A 90 90 SER C C 90 172.400 173.256 -0.856 1 1 1165 . 7 1 1 A 90 90 SER CA C 90 57.700 56.766 0.934 1 1 1166 . 7 1 1 A 90 90 SER CB C 90 65.700 66.826 -1.126 1 1 1167 . 7 1 1 A 90 90 SER N N 90 113.200 113.854 -0.654 1 1 1168 . 7 1 1 A 91 91 ILE H H 91 8.640 8.758 -0.118 1 1 1169 . 7 1 1 A 91 91 ILE HA H 91 5.030 5.220 -0.190 1 1 1179 . 7 1 1 A 91 91 ILE C C 91 175.300 174.220 1.080 1 1 1180 . 7 1 1 A 91 91 ILE CA C 91 60.200 60.480 -0.280 1 1 1181 . 7 1 1 A 91 91 ILE CB C 91 42.200 42.013 0.187 1 1 1185 . 7 1 1 A 91 91 ILE N N 91 119.700 121.428 -1.728 1 1 1186 . 7 1 1 A 92 92 GLU H H 92 8.810 8.943 -0.133 1 1 1187 . 7 1 1 A 92 92 GLU HA H 92 4.710 5.199 -0.489 1 1 1192 . 7 1 1 A 92 92 GLU C C 92 174.700 175.438 -0.738 1 1 1193 . 7 1 1 A 92 92 GLU CA C 92 54.600 54.692 -0.092 1 1 1194 . 7 1 1 A 92 92 GLU CB C 92 33.300 32.809 0.491 1 1 1196 . 7 1 1 A 92 92 GLU N N 92 125.900 128.454 -2.554 1 1 1197 . 7 1 1 A 93 93 LYS H H 93 9.080 8.522 0.558 1 1 1198 . 7 1 1 A 93 93 LYS HA H 93 4.100 4.462 -0.362 1 1 1207 . 7 1 1 A 93 93 LYS C C 93 176.400 176.138 0.262 1 1 1208 . 7 1 1 A 93 93 LYS CA C 93 57.500 56.341 1.159 1 1 1209 . 7 1 1 A 93 93 LYS CB C 93 32.900 33.365 -0.465 1 1 1213 . 7 1 1 A 93 93 LYS N N 93 127.600 128.516 -0.916 1 1 1214 . 7 1 1 A 94 94 LEU H H 94 8.410 8.474 -0.064 1 1 1215 . 7 1 1 A 94 94 LEU HA H 94 4.480 4.750 -0.270 1 1 1224 . 7 1 1 A 94 94 LEU C C 94 177.300 178.160 -0.860 1 1 1225 . 7 1 1 A 94 94 LEU CA C 94 53.900 53.565 0.335 1 1 1226 . 7 1 1 A 94 94 LEU CB C 94 42.900 43.710 -0.810 1 1 1230 . 7 1 1 A 94 94 LEU N N 94 127.300 126.889 0.411 1 1 1231 . 7 1 1 A 95 95 SER H H 95 8.630 8.776 -0.146 1 1 1232 . 7 1 1 A 95 95 SER HA H 95 4.350 4.389 -0.039 1 1 1235 . 7 1 1 A 95 95 SER C C 95 173.800 173.755 0.045 1 1 1236 . 7 1 1 A 95 95 SER CA C 95 58.900 59.098 -0.198 1 1 1237 . 7 1 1 A 95 95 SER CB C 95 63.400 63.530 -0.130 1 1 1238 . 7 1 1 A 95 95 SER N N 95 115.700 117.600 -1.900 1 1 1239 . 7 1 1 A 96 96 GLU H H 96 7.230 7.609 -0.379 1 1 1240 . 7 1 1 A 96 96 GLU HA H 96 4.750 4.769 -0.019 1 1 1245 . 7 1 1 A 96 96 GLU CA C 96 53.000 53.063 -0.063 1 1 1246 . 7 1 1 A 96 96 GLU CB C 96 30.700 32.543 -1.843 1 1 1248 . 7 1 1 A 96 96 GLU N N 96 121.600 122.484 -0.884 1 1 1249 . 7 1 1 A 97 97 PRO HA H 97 4.250 4.681 -0.431 1 1 1256 . 7 1 1 A 97 97 PRO CA C 97 62.400 62.393 0.007 1 1 1257 . 7 1 1 A 97 97 PRO CB C 97 32.600 32.634 -0.034 1 1 1260 . 7 1 1 A 98 98 ILE H H 98 7.920 8.439 -0.519 1 1 1261 . 7 1 1 A 98 98 ILE HA H 98 4.070 4.692 -0.622 1 1 1271 . 7 1 1 A 98 98 ILE C C 98 175.400 174.499 0.901 1 1 1272 . 7 1 1 A 98 98 ILE CA C 98 59.300 59.702 -0.402 1 1 1273 . 7 1 1 A 98 98 ILE CB C 98 38.300 39.659 -1.359 1 1 1277 . 7 1 1 A 98 98 ILE N N 98 122.700 121.206 1.494 1 1 1278 . 7 1 1 A 99 99 GLU H H 99 8.550 8.769 -0.219 1 1 1279 . 7 1 1 A 99 99 GLU HA H 99 4.260 4.510 -0.250 1 1 1284 . 7 1 1 A 99 99 GLU C C 99 175.100 176.956 -1.856 1 1 1285 . 7 1 1 A 99 99 GLU CA C 99 55.500 56.089 -0.589 1 1 1286 . 7 1 1 A 99 99 GLU CB C 99 30.000 30.086 -0.086 1 1 1288 . 7 1 1 A 99 99 GLU N N 99 127.900 127.333 0.567 1 1 1289 . 7 1 1 A 100 100 VAL H H 100 7.970 8.727 -0.757 1 1 1290 . 7 1 1 A 100 100 VAL HA H 100 3.980 4.478 -0.498 1 1 1298 . 7 1 1 A 100 100 VAL C C 100 176.700 176.101 0.599 1 1 1299 . 7 1 1 A 100 100 VAL CA C 100 61.000 61.666 -0.666 1 1 1300 . 7 1 1 A 100 100 VAL CB C 100 33.000 32.994 0.006 1 1 1303 . 7 1 1 A 100 100 VAL N N 100 121.100 121.023 0.077 1 1 1304 . 7 1 1 A 101 101 GLY H H 101 8.520 7.888 0.632 1 1 1305 . 7 1 1 A 101 101 GLY HA2 H 101 3.830 3.952 -0.122 1 1 1306 . 7 1 1 A 101 101 GLY HA3 H 101 3.980 3.957 0.023 1 1 1307 . 7 1 1 A 101 101 GLY C C 101 174.200 172.590 1.610 1 1 1308 . 7 1 1 A 101 101 GLY CA C 101 45.800 44.846 0.954 1 1 1309 . 7 1 1 A 101 101 GLY N N 101 114.000 110.507 3.493 1 1 1310 . 7 1 1 A 102 102 LEU H H 102 8.100 9.507 -1.407 1 1 1311 . 7 1 1 A 102 102 LEU HA H 102 4.170 4.816 -0.646 1 1 1320 . 7 1 1 A 102 102 LEU C C 102 177.700 176.412 1.288 1 1 1321 . 7 1 1 A 102 102 LEU CA C 102 55.500 53.615 1.885 1 1 1322 . 7 1 1 A 102 102 LEU CB C 102 42.600 42.515 0.085 1 1 1326 . 7 1 1 A 102 102 LEU N N 102 121.000 126.901 -5.901 1 1 1327 . 7 1 1 A 103 103 GLU H H 103 8.420 8.744 -0.324 1 1 1328 . 7 1 1 A 103 103 GLU HA H 103 4.090 4.105 -0.015 1 1 1333 . 7 1 1 A 103 103 GLU C C 103 176.400 177.297 -0.897 1 1 1334 . 7 1 1 A 103 103 GLU CA C 103 57.100 57.197 -0.097 1 1 1335 . 7 1 1 A 103 103 GLU CB C 103 29.900 29.756 0.144 1 1 1337 . 7 1 1 A 103 103 GLU N N 103 120.000 125.199 -5.199 1 1 1338 . 7 1 1 A 104 104 HIS H H 104 8.180 8.406 -0.226 1 1 1339 . 7 1 1 A 104 104 HIS HA H 104 4.580 4.171 0.409 1 1 1342 . 7 1 1 A 104 104 HIS C C 104 173.800 175.279 -1.479 1 1 1343 . 7 1 1 A 104 104 HIS CA C 104 55.700 58.532 -2.832 1 1 1344 . 7 1 1 A 104 104 HIS CB C 104 30.000 29.798 0.202 1 1 1345 . 7 1 1 A 104 104 HIS N N 104 119.000 122.947 -3.947 1 1 1346 . 7 1 1 A 105 105 HIS H H 105 8.160 8.217 -0.057 1 1 1347 . 7 1 1 A 105 105 HIS HA H 105 4.380 4.648 -0.268 1 1 1350 . 7 1 1 A 105 105 HIS CA C 105 57.200 54.303 2.897 1 1 1351 . 7 1 1 A 105 105 HIS CB C 105 30.000 31.818 -1.818 1 1 1 . 8 1 1 A 3 3 PRO HA H 3 4.430 4.527 -0.097 1 1 8 . 8 1 1 A 3 3 PRO C C 3 175.600 175.912 -0.312 1 1 9 . 8 1 1 A 3 3 PRO CA C 3 62.510 62.630 -0.120 1 1 10 . 8 1 1 A 3 3 PRO CB C 3 32.000 32.245 -0.245 1 1 13 . 8 1 1 A 4 4 GLN H H 4 8.580 8.518 0.062 1 1 14 . 8 1 1 A 4 4 GLN HA H 4 4.260 4.586 -0.326 1 1 21 . 8 1 1 A 4 4 GLN C C 4 176.900 174.754 2.146 1 1 22 . 8 1 1 A 4 4 GLN CA C 4 55.700 55.891 -0.191 1 1 23 . 8 1 1 A 4 4 GLN CB C 4 29.200 29.367 -0.167 1 1 25 . 8 1 1 A 4 4 GLN N N 4 120.000 121.113 -1.113 1 1 27 . 8 1 1 A 5 5 LEU H H 5 8.920 9.148 -0.228 1 1 28 . 8 1 1 A 5 5 LEU HA H 5 4.660 4.991 -0.331 1 1 38 . 8 1 1 A 5 5 LEU C C 5 176.900 176.140 0.760 1 1 39 . 8 1 1 A 5 5 LEU CA C 5 54.700 53.771 0.929 1 1 40 . 8 1 1 A 5 5 LEU CB C 5 43.000 43.749 -0.749 1 1 44 . 8 1 1 A 5 5 LEU N N 5 128.500 126.692 1.808 1 1 45 . 8 1 1 A 6 6 THR H H 6 8.750 9.011 -0.261 1 1 46 . 8 1 1 A 6 6 THR HA H 6 4.530 4.992 -0.462 1 1 51 . 8 1 1 A 6 6 THR C C 6 173.700 173.537 0.163 1 1 52 . 8 1 1 A 6 6 THR CA C 6 61.600 61.135 0.465 1 1 53 . 8 1 1 A 6 6 THR CB C 6 72.000 71.745 0.255 1 1 55 . 8 1 1 A 6 6 THR N N 6 121.000 120.892 0.108 1 1 56 . 8 1 1 A 7 7 LYS H H 7 9.080 8.849 0.231 1 1 57 . 8 1 1 A 7 7 LYS HA H 7 4.430 4.490 -0.060 1 1 66 . 8 1 1 A 7 7 LYS C C 7 178.600 178.284 0.316 1 1 67 . 8 1 1 A 7 7 LYS CA C 7 54.300 54.854 -0.554 1 1 68 . 8 1 1 A 7 7 LYS CB C 7 32.300 33.962 -1.662 1 1 72 . 8 1 1 A 7 7 LYS N N 7 126.300 124.344 1.956 1 1 73 . 8 1 1 A 8 8 ILE H H 8 9.870 8.809 1.061 1 1 74 . 8 1 1 A 8 8 ILE HA H 8 3.240 3.749 -0.509 1 1 82 . 8 1 1 A 8 8 ILE C C 8 178.700 177.921 0.779 1 1 83 . 8 1 1 A 8 8 ILE CA C 8 66.800 65.375 1.425 1 1 84 . 8 1 1 A 8 8 ILE CB C 8 36.400 37.471 -1.071 1 1 87 . 8 1 1 A 8 8 ILE N N 8 124.700 122.319 2.381 1 1 88 . 8 1 1 A 9 9 VAL H H 9 8.340 8.050 0.290 1 1 89 . 8 1 1 A 9 9 VAL HA H 9 3.930 3.904 0.026 1 1 97 . 8 1 1 A 9 9 VAL C C 9 178.700 176.323 2.377 1 1 98 . 8 1 1 A 9 9 VAL CA C 9 63.300 64.124 -0.824 1 1 99 . 8 1 1 A 9 9 VAL CB C 9 31.700 31.479 0.221 1 1 102 . 8 1 1 A 9 9 VAL N N 9 119.500 120.309 -0.809 1 1 103 . 8 1 1 A 10 10 ASP H H 10 7.510 8.117 -0.607 1 1 104 . 8 1 1 A 10 10 ASP HA H 10 4.730 4.664 0.066 1 1 107 . 8 1 1 A 10 10 ASP C C 10 174.500 176.118 -1.618 1 1 108 . 8 1 1 A 10 10 ASP CA C 10 54.400 52.987 1.413 1 1 109 . 8 1 1 A 10 10 ASP CB C 10 41.100 40.972 0.128 1 1 110 . 8 1 1 A 10 10 ASP N N 10 119.100 120.143 -1.043 1 1 111 . 8 1 1 A 11 11 ILE H H 11 7.460 7.569 -0.109 1 1 112 . 8 1 1 A 11 11 ILE HA H 11 3.800 4.087 -0.287 1 1 122 . 8 1 1 A 11 11 ILE C C 11 174.900 176.225 -1.325 1 1 123 . 8 1 1 A 11 11 ILE CA C 11 62.100 60.550 1.550 1 1 124 . 8 1 1 A 11 11 ILE CB C 11 35.300 37.442 -2.142 1 1 128 . 8 1 1 A 11 11 ILE N N 11 124.200 121.511 2.689 1 1 129 . 8 1 1 A 12 12 VAL H H 12 8.530 8.528 0.002 1 1 130 . 8 1 1 A 12 12 VAL HA H 12 4.260 3.838 0.422 1 1 138 . 8 1 1 A 12 12 VAL C C 12 174.900 174.793 0.107 1 1 139 . 8 1 1 A 12 12 VAL CA C 12 60.600 61.008 -0.408 1 1 140 . 8 1 1 A 12 12 VAL CB C 12 35.400 33.962 1.438 1 1 143 . 8 1 1 A 12 12 VAL N N 12 118.400 119.284 -0.884 1 1 144 . 8 1 1 A 13 13 GLU H H 13 7.430 7.424 0.006 1 1 145 . 8 1 1 A 13 13 GLU HA H 13 4.590 5.002 -0.412 1 1 150 . 8 1 1 A 13 13 GLU C C 13 173.800 175.127 -1.327 1 1 151 . 8 1 1 A 13 13 GLU CA C 13 54.800 54.642 0.158 1 1 152 . 8 1 1 A 13 13 GLU CB C 13 33.160 32.543 0.617 1 1 154 . 8 1 1 A 13 13 GLU N N 13 120.100 123.187 -3.087 1 1 155 . 8 1 1 A 14 14 ASN H H 14 8.800 8.891 -0.091 1 1 156 . 8 1 1 A 14 14 ASN HA H 14 4.110 4.571 -0.461 1 1 161 . 8 1 1 A 14 14 ASN C C 14 176.600 176.558 0.042 1 1 162 . 8 1 1 A 14 14 ASN CA C 14 54.600 54.454 0.146 1 1 163 . 8 1 1 A 14 14 ASN CB C 14 38.900 38.839 0.061 1 1 164 . 8 1 1 A 14 14 ASN N N 14 121.500 125.363 -3.863 1 1 166 . 8 1 1 A 15 15 GLY H H 15 8.620 8.860 -0.240 1 1 167 . 8 1 1 A 15 15 GLY HA2 H 15 3.460 3.735 -0.275 1 1 168 . 8 1 1 A 15 15 GLY HA3 H 15 4.110 3.833 0.277 1 1 169 . 8 1 1 A 15 15 GLY C C 15 173.100 173.412 -0.312 1 1 170 . 8 1 1 A 15 15 GLY CA C 15 45.300 45.699 -0.399 1 1 171 . 8 1 1 A 15 15 GLY N N 15 114.900 113.717 1.183 1 1 172 . 8 1 1 A 16 16 GLN H H 16 7.280 7.730 -0.450 1 1 173 . 8 1 1 A 16 16 GLN HA H 16 4.160 4.678 -0.518 1 1 180 . 8 1 1 A 16 16 GLN C C 16 174.400 174.872 -0.472 1 1 181 . 8 1 1 A 16 16 GLN CA C 16 56.300 54.630 1.670 1 1 182 . 8 1 1 A 16 16 GLN CB C 16 30.300 30.348 -0.048 1 1 184 . 8 1 1 A 16 16 GLN N N 16 121.500 120.109 1.391 1 1 186 . 8 1 1 A 17 17 TRP H H 17 8.640 8.914 -0.274 1 1 187 . 8 1 1 A 17 17 TRP HA H 17 5.400 5.471 -0.071 1 1 196 . 8 1 1 A 17 17 TRP C C 17 176.900 176.093 0.807 1 1 197 . 8 1 1 A 17 17 TRP CA C 17 56.400 56.243 0.157 1 1 198 . 8 1 1 A 17 17 TRP CB C 17 30.300 31.013 -0.713 1 1 204 . 8 1 1 A 17 17 TRP N N 17 125.500 126.359 -0.859 1 1 206 . 8 1 1 A 18 18 ALA H H 18 9.020 8.826 0.194 1 1 207 . 8 1 1 A 18 18 ALA HA H 18 4.650 4.878 -0.228 1 1 211 . 8 1 1 A 18 18 ALA C C 18 174.100 175.176 -1.076 1 1 212 . 8 1 1 A 18 18 ALA CA C 18 51.430 51.277 0.153 1 1 213 . 8 1 1 A 18 18 ALA CB C 18 22.600 23.074 -0.474 1 1 214 . 8 1 1 A 18 18 ALA N N 18 124.000 122.732 1.268 1 1 215 . 8 1 1 A 19 19 ASN H H 19 8.250 8.166 0.084 1 1 216 . 8 1 1 A 19 19 ASN HA H 19 5.710 5.686 0.024 1 1 221 . 8 1 1 A 19 19 ASN C C 19 173.500 174.266 -0.766 1 1 222 . 8 1 1 A 19 19 ASN CA C 19 51.600 52.086 -0.486 1 1 223 . 8 1 1 A 19 19 ASN CB C 19 40.100 42.106 -2.006 1 1 224 . 8 1 1 A 19 19 ASN N N 19 116.500 116.297 0.203 1 1 226 . 8 1 1 A 20 20 LEU H H 20 9.280 8.482 0.798 1 1 227 . 8 1 1 A 20 20 LEU HA H 20 4.930 4.976 -0.046 1 1 236 . 8 1 1 A 20 20 LEU C C 20 174.800 173.846 0.954 1 1 237 . 8 1 1 A 20 20 LEU CA C 20 54.200 54.164 0.036 1 1 238 . 8 1 1 A 20 20 LEU CB C 20 46.300 46.007 0.293 1 1 241 . 8 1 1 A 20 20 LEU N N 20 121.800 123.658 -1.858 1 1 242 . 8 1 1 A 21 21 LYS H H 21 8.550 9.132 -0.582 1 1 243 . 8 1 1 A 21 21 LYS HA H 21 5.450 5.206 0.244 1 1 252 . 8 1 1 A 21 21 LYS C C 21 174.800 175.314 -0.514 1 1 253 . 8 1 1 A 21 21 LYS CA C 21 55.350 54.927 0.423 1 1 254 . 8 1 1 A 21 21 LYS CB C 21 34.300 34.963 -0.663 1 1 258 . 8 1 1 A 21 21 LYS N N 21 122.500 127.895 -5.395 1 1 259 . 8 1 1 A 22 22 ALA H H 22 9.090 8.340 0.750 1 1 260 . 8 1 1 A 22 22 ALA HA H 22 4.830 4.805 0.025 1 1 264 . 8 1 1 A 22 22 ALA C C 22 173.800 175.066 -1.266 1 1 265 . 8 1 1 A 22 22 ALA CA C 22 51.300 51.008 0.292 1 1 266 . 8 1 1 A 22 22 ALA CB C 22 24.700 23.394 1.306 1 1 267 . 8 1 1 A 22 22 ALA N N 22 123.200 127.219 -4.019 1 1 268 . 8 1 1 A 23 23 LYS H H 23 9.190 8.174 1.016 1 1 269 . 8 1 1 A 23 23 LYS HA H 23 5.080 4.707 0.373 1 1 276 . 8 1 1 A 23 23 LYS C C 23 176.900 175.631 1.269 1 1 277 . 8 1 1 A 23 23 LYS CA C 23 54.100 55.300 -1.200 1 1 278 . 8 1 1 A 23 23 LYS CB C 23 35.800 33.664 2.136 1 1 281 . 8 1 1 A 23 23 LYS N N 23 121.100 121.455 -0.355 1 1 282 . 8 1 1 A 24 24 VAL H H 24 8.620 8.581 0.039 1 1 283 . 8 1 1 A 24 24 VAL HA H 24 4.110 4.282 -0.172 1 1 291 . 8 1 1 A 24 24 VAL C C 24 175.800 176.496 -0.696 1 1 292 . 8 1 1 A 24 24 VAL CA C 24 62.750 62.599 0.151 1 1 293 . 8 1 1 A 24 24 VAL CB C 24 30.500 31.647 -1.147 1 1 296 . 8 1 1 A 24 24 VAL N N 24 125.600 125.905 -0.305 1 1 297 . 8 1 1 A 25 25 ILE H H 25 8.430 8.454 -0.024 1 1 298 . 8 1 1 A 25 25 ILE HA H 25 4.210 4.374 -0.164 1 1 308 . 8 1 1 A 25 25 ILE C C 25 176.700 175.885 0.815 1 1 309 . 8 1 1 A 25 25 ILE CA C 25 62.100 61.662 0.438 1 1 310 . 8 1 1 A 25 25 ILE CB C 25 38.300 38.729 -0.429 1 1 314 . 8 1 1 A 25 25 ILE N N 25 127.400 123.617 3.783 1 1 315 . 8 1 1 A 26 26 GLN H H 26 7.590 7.591 -0.001 1 1 316 . 8 1 1 A 26 26 GLN HA H 26 4.560 4.752 -0.192 1 1 323 . 8 1 1 A 26 26 GLN C C 26 173.700 173.727 -0.027 1 1 324 . 8 1 1 A 26 26 GLN CA C 26 55.400 55.441 -0.041 1 1 325 . 8 1 1 A 26 26 GLN CB C 26 34.100 32.003 2.097 1 1 327 . 8 1 1 A 26 26 GLN N N 26 117.100 120.587 -3.487 1 1 329 . 8 1 1 A 27 27 LEU H H 27 8.470 8.784 -0.314 1 1 330 . 8 1 1 A 27 27 LEU HA H 27 4.710 5.123 -0.413 1 1 340 . 8 1 1 A 27 27 LEU C C 27 176.200 175.738 0.462 1 1 341 . 8 1 1 A 27 27 LEU CA C 27 54.100 53.711 0.389 1 1 342 . 8 1 1 A 27 27 LEU CB C 27 44.000 46.806 -2.806 1 1 346 . 8 1 1 A 27 27 LEU N N 27 123.600 123.654 -0.054 1 1 347 . 8 1 1 A 28 28 TRP H H 28 8.850 8.674 0.176 1 1 348 . 8 1 1 A 28 28 TRP HA H 28 5.180 5.092 0.088 1 1 357 . 8 1 1 A 28 28 TRP C C 28 175.900 175.182 0.718 1 1 358 . 8 1 1 A 28 28 TRP CA C 28 53.300 56.456 -3.156 1 1 359 . 8 1 1 A 28 28 TRP CB C 28 31.400 32.622 -1.222 1 1 365 . 8 1 1 A 28 28 TRP N N 28 123.900 124.996 -1.096 1 1 367 . 8 1 1 A 29 29 GLU H H 29 8.620 8.388 0.232 1 1 368 . 8 1 1 A 29 29 GLU HA H 29 4.250 4.417 -0.167 1 1 373 . 8 1 1 A 29 29 GLU C C 29 175.700 175.171 0.529 1 1 374 . 8 1 1 A 29 29 GLU CA C 29 56.800 56.721 0.079 1 1 375 . 8 1 1 A 29 29 GLU CB C 29 30.000 30.198 -0.198 1 1 377 . 8 1 1 A 29 29 GLU N N 29 120.700 126.195 -5.495 1 1 378 . 8 1 1 A 30 30 ASN H H 30 8.720 8.161 0.559 1 1 379 . 8 1 1 A 30 30 ASN HA H 30 4.870 5.263 -0.393 1 1 384 . 8 1 1 A 30 30 ASN C C 30 174.800 175.791 -0.991 1 1 385 . 8 1 1 A 30 30 ASN CA C 30 53.800 51.787 2.013 1 1 386 . 8 1 1 A 30 30 ASN CB C 30 41.200 41.647 -0.447 1 1 387 . 8 1 1 A 30 30 ASN N N 30 121.400 123.470 -2.070 1 1 389 . 8 1 1 A 31 31 THR H H 31 8.300 8.397 -0.097 1 1 390 . 8 1 1 A 31 31 THR HA H 31 4.430 4.660 -0.230 1 1 395 . 8 1 1 A 31 31 THR C C 31 174.200 175.281 -1.081 1 1 396 . 8 1 1 A 31 31 THR CA C 31 61.000 61.367 -0.367 1 1 397 . 8 1 1 A 31 31 THR CB C 31 69.600 69.146 0.454 1 1 399 . 8 1 1 A 31 31 THR N N 31 114.200 115.802 -1.602 1 1 400 . 8 1 1 A 32 32 HIS H H 32 7.840 7.717 0.123 1 1 401 . 8 1 1 A 32 32 HIS HA H 32 4.560 4.511 0.049 1 1 405 . 8 1 1 A 32 32 HIS C C 32 177.300 174.938 2.362 1 1 406 . 8 1 1 A 32 32 HIS CA C 32 57.600 57.842 -0.242 1 1 407 . 8 1 1 A 32 32 HIS CB C 32 32.000 29.916 2.084 1 1 409 . 8 1 1 A 32 32 HIS N N 32 122.500 121.726 0.774 1 1 410 . 8 1 1 A 33 33 GLU H H 33 9.020 8.098 0.922 1 1 411 . 8 1 1 A 33 33 GLU HA H 33 4.120 3.771 0.349 1 1 416 . 8 1 1 A 33 33 GLU C C 33 177.100 177.684 -0.584 1 1 417 . 8 1 1 A 33 33 GLU CA C 33 59.000 59.228 -0.228 1 1 418 . 8 1 1 A 33 33 GLU CB C 33 29.400 27.956 1.444 1 1 420 . 8 1 1 A 33 33 GLU N N 33 127.300 116.449 10.851 1 1 421 . 8 1 1 A 34 34 SER H H 34 9.430 9.227 0.203 1 1 422 . 8 1 1 A 34 34 SER HA H 34 4.580 4.408 0.172 1 1 425 . 8 1 1 A 34 34 SER C C 34 174.800 174.375 0.425 1 1 426 . 8 1 1 A 34 34 SER CA C 34 59.500 62.441 -2.941 1 1 427 . 8 1 1 A 34 34 SER CB C 34 63.600 63.170 0.430 1 1 428 . 8 1 1 A 34 34 SER N N 34 113.400 115.397 -1.997 1 1 429 . 8 1 1 A 35 35 ILE H H 35 7.920 7.971 -0.051 1 1 430 . 8 1 1 A 35 35 ILE HA H 35 4.080 3.925 0.155 1 1 440 . 8 1 1 A 35 35 ILE C C 35 174.300 175.836 -1.536 1 1 441 . 8 1 1 A 35 35 ILE CA C 35 61.600 59.748 1.852 1 1 442 . 8 1 1 A 35 35 ILE CB C 35 40.700 39.164 1.536 1 1 446 . 8 1 1 A 35 35 ILE N N 35 125.800 120.281 5.519 1 1 447 . 8 1 1 A 36 36 SER H H 36 9.010 8.896 0.114 1 1 448 . 8 1 1 A 36 36 SER HA H 36 4.480 4.439 0.041 1 1 451 . 8 1 1 A 36 36 SER C C 36 174.900 174.686 0.214 1 1 452 . 8 1 1 A 36 36 SER CA C 36 58.800 59.698 -0.898 1 1 453 . 8 1 1 A 36 36 SER CB C 36 64.300 63.112 1.188 1 1 454 . 8 1 1 A 36 36 SER N N 36 119.100 120.608 -1.508 1 1 455 . 8 1 1 A 37 37 GLN H H 37 7.390 7.104 0.286 1 1 456 . 8 1 1 A 37 37 GLN HA H 37 4.690 4.645 0.045 1 1 463 . 8 1 1 A 37 37 GLN C C 37 171.800 173.162 -1.362 1 1 464 . 8 1 1 A 37 37 GLN CA C 37 54.900 54.713 0.187 1 1 465 . 8 1 1 A 37 37 GLN CB C 37 36.200 31.489 4.711 1 1 466 . 8 1 1 A 37 37 GLN N N 37 116.500 117.254 -0.754 1 1 468 . 8 1 1 A 38 38 VAL H H 38 8.640 8.618 0.022 1 1 469 . 8 1 1 A 38 38 VAL HA H 38 4.160 4.630 -0.470 1 1 477 . 8 1 1 A 38 38 VAL C C 38 172.400 174.350 -1.950 1 1 478 . 8 1 1 A 38 38 VAL CA C 38 58.500 59.099 -0.599 1 1 479 . 8 1 1 A 38 38 VAL CB C 38 35.300 35.444 -0.144 1 1 482 . 8 1 1 A 38 38 VAL N N 38 120.400 115.965 4.435 1 1 483 . 8 1 1 A 39 39 GLY H H 39 6.440 7.195 -0.755 1 1 484 . 8 1 1 A 39 39 GLY HA2 H 39 3.690 4.232 -0.542 1 1 485 . 8 1 1 A 39 39 GLY HA3 H 39 1.940 4.317 -2.377 1 1 486 . 8 1 1 A 39 39 GLY C C 39 170.600 171.639 -1.039 1 1 487 . 8 1 1 A 39 39 GLY CA C 39 45.300 46.036 -0.736 1 1 488 . 8 1 1 A 39 39 GLY N N 39 109.600 108.635 0.965 1 1 489 . 8 1 1 A 40 40 LEU H H 40 8.380 8.376 0.004 1 1 490 . 8 1 1 A 40 40 LEU HA H 40 4.980 5.318 -0.338 1 1 499 . 8 1 1 A 40 40 LEU C C 40 176.000 175.788 0.212 1 1 500 . 8 1 1 A 40 40 LEU CA C 40 53.200 53.412 -0.212 1 1 501 . 8 1 1 A 40 40 LEU CB C 40 47.400 45.456 1.944 1 1 504 . 8 1 1 A 40 40 LEU N N 40 119.500 121.696 -2.196 1 1 505 . 8 1 1 A 41 41 LEU H H 41 9.410 9.171 0.239 1 1 506 . 8 1 1 A 41 41 LEU HA H 41 5.320 5.164 0.156 1 1 516 . 8 1 1 A 41 41 LEU C C 41 176.700 175.713 0.987 1 1 517 . 8 1 1 A 41 41 LEU CA C 41 52.400 52.918 -0.518 1 1 518 . 8 1 1 A 41 41 LEU CB C 41 44.900 44.222 0.678 1 1 522 . 8 1 1 A 41 41 LEU N N 41 122.700 122.722 -0.022 1 1 523 . 8 1 1 A 42 42 GLY H H 42 9.210 9.794 -0.584 1 1 524 . 8 1 1 A 42 42 GLY HA2 H 42 3.550 4.078 -0.528 1 1 525 . 8 1 1 A 42 42 GLY HA3 H 42 5.350 4.078 1.272 1 1 526 . 8 1 1 A 42 42 GLY C C 42 171.200 171.949 -0.749 1 1 527 . 8 1 1 A 42 42 GLY CA C 42 45.700 45.471 0.229 1 1 528 . 8 1 1 A 42 42 GLY N N 42 104.600 112.501 -7.901 1 1 529 . 8 1 1 A 43 43 ASP H H 43 8.960 8.747 0.213 1 1 530 . 8 1 1 A 43 43 ASP HA H 43 4.640 5.092 -0.452 1 1 533 . 8 1 1 A 43 43 ASP C C 43 175.600 176.479 -0.879 1 1 534 . 8 1 1 A 43 43 ASP CA C 43 52.700 52.771 -0.071 1 1 535 . 8 1 1 A 43 43 ASP CB C 43 41.600 43.337 -1.737 1 1 536 . 8 1 1 A 43 43 ASP N N 43 121.900 126.159 -4.259 1 1 537 . 8 1 1 A 44 44 GLU H H 44 10.150 9.042 1.108 1 1 538 . 8 1 1 A 44 44 GLU HA H 44 4.380 4.027 0.353 1 1 543 . 8 1 1 A 44 44 GLU C C 44 176.900 177.599 -0.699 1 1 544 . 8 1 1 A 44 44 GLU CA C 44 59.300 58.796 0.504 1 1 545 . 8 1 1 A 44 44 GLU CB C 44 28.100 29.644 -1.544 1 1 547 . 8 1 1 A 44 44 GLU N N 44 118.000 125.795 -7.795 1 1 548 . 8 1 1 A 45 45 THR H H 45 9.600 7.697 1.903 1 1 549 . 8 1 1 A 45 45 THR HA H 45 4.580 4.468 0.112 1 1 554 . 8 1 1 A 45 45 THR C C 45 174.800 173.840 0.960 1 1 555 . 8 1 1 A 45 45 THR CA C 45 61.700 62.272 -0.572 1 1 556 . 8 1 1 A 45 45 THR CB C 45 70.000 69.471 0.529 1 1 558 . 8 1 1 A 45 45 THR N N 45 112.000 109.068 2.932 1 1 559 . 8 1 1 A 46 46 GLY H H 46 7.640 7.288 0.352 1 1 560 . 8 1 1 A 46 46 GLY HA2 H 46 3.830 4.116 -0.286 1 1 561 . 8 1 1 A 46 46 GLY HA3 H 46 4.000 4.119 -0.119 1 1 562 . 8 1 1 A 46 46 GLY C C 46 169.400 171.521 -2.121 1 1 563 . 8 1 1 A 46 46 GLY CA C 46 46.000 45.225 0.775 1 1 564 . 8 1 1 A 46 46 GLY N N 46 110.600 107.871 2.729 1 1 565 . 8 1 1 A 47 47 ILE H H 47 8.000 8.494 -0.494 1 1 566 . 8 1 1 A 47 47 ILE HA H 47 5.450 5.358 0.092 1 1 576 . 8 1 1 A 47 47 ILE C C 47 175.200 174.183 1.017 1 1 577 . 8 1 1 A 47 47 ILE CA C 47 59.100 58.605 0.495 1 1 578 . 8 1 1 A 47 47 ILE CB C 47 42.400 42.538 -0.138 1 1 582 . 8 1 1 A 47 47 ILE N N 47 113.900 118.841 -4.941 1 1 583 . 8 1 1 A 48 48 ILE H H 48 9.340 8.383 0.957 1 1 584 . 8 1 1 A 48 48 ILE HA H 48 4.640 4.797 -0.157 1 1 594 . 8 1 1 A 48 48 ILE C C 48 171.500 174.112 -2.612 1 1 595 . 8 1 1 A 48 48 ILE CA C 48 60.600 59.291 1.309 1 1 596 . 8 1 1 A 48 48 ILE CB C 48 42.000 41.544 0.456 1 1 600 . 8 1 1 A 48 48 ILE N N 48 123.600 122.060 1.540 1 1 601 . 8 1 1 A 49 49 LYS H H 49 8.350 8.523 -0.173 1 1 602 . 8 1 1 A 49 49 LYS HA H 49 4.820 4.985 -0.165 1 1 611 . 8 1 1 A 49 49 LYS C C 49 174.700 176.130 -1.430 1 1 612 . 8 1 1 A 49 49 LYS CA C 49 56.400 56.056 0.344 1 1 613 . 8 1 1 A 49 49 LYS CB C 49 33.800 34.867 -1.067 1 1 617 . 8 1 1 A 49 49 LYS N N 49 129.100 126.824 2.276 1 1 618 . 8 1 1 A 50 50 PHE H H 50 8.570 8.187 0.383 1 1 619 . 8 1 1 A 50 50 PHE HA H 50 5.820 5.438 0.382 1 1 627 . 8 1 1 A 50 50 PHE C C 50 172.100 172.245 -0.145 1 1 628 . 8 1 1 A 50 50 PHE CA C 50 54.800 56.216 -1.416 1 1 629 . 8 1 1 A 50 50 PHE CB C 50 43.900 42.140 1.760 1 1 635 . 8 1 1 A 50 50 PHE N N 50 122.700 116.886 5.814 1 1 636 . 8 1 1 A 51 51 THR H H 51 8.190 8.631 -0.441 1 1 637 . 8 1 1 A 51 51 THR HA H 51 4.320 4.845 -0.525 1 1 642 . 8 1 1 A 51 51 THR C C 51 172.900 172.957 -0.057 1 1 643 . 8 1 1 A 51 51 THR CA C 51 61.700 60.039 1.661 1 1 644 . 8 1 1 A 51 51 THR CB C 51 72.500 71.195 1.305 1 1 646 . 8 1 1 A 51 51 THR N N 51 114.400 114.129 0.271 1 1 647 . 8 1 1 A 52 52 ILE H H 52 8.880 9.051 -0.171 1 1 648 . 8 1 1 A 52 52 ILE HA H 52 4.650 4.850 -0.200 1 1 658 . 8 1 1 A 52 52 ILE C C 52 176.000 175.230 0.770 1 1 659 . 8 1 1 A 52 52 ILE CA C 52 60.500 60.243 0.257 1 1 660 . 8 1 1 A 52 52 ILE CB C 52 38.900 39.590 -0.690 1 1 664 . 8 1 1 A 52 52 ILE N N 52 123.400 127.661 -4.261 1 1 665 . 8 1 1 A 53 53 TRP H H 53 8.020 8.761 -0.741 1 1 666 . 8 1 1 A 53 53 TRP HA H 53 4.740 4.891 -0.151 1 1 675 . 8 1 1 A 53 53 TRP C C 53 177.500 177.341 0.159 1 1 676 . 8 1 1 A 53 53 TRP CA C 53 57.700 56.840 0.860 1 1 677 . 8 1 1 A 53 53 TRP CB C 53 30.400 30.717 -0.317 1 1 683 . 8 1 1 A 53 53 TRP N N 53 129.500 128.214 1.286 1 1 685 . 8 1 1 A 54 54 LYS H H 54 8.980 9.205 -0.225 1 1 686 . 8 1 1 A 54 54 LYS HA H 54 4.100 4.073 0.027 1 1 695 . 8 1 1 A 54 54 LYS C C 54 177.700 178.538 -0.838 1 1 696 . 8 1 1 A 54 54 LYS CA C 54 59.400 59.894 -0.494 1 1 697 . 8 1 1 A 54 54 LYS CB C 54 32.400 32.145 0.255 1 1 701 . 8 1 1 A 54 54 LYS N N 54 125.500 124.232 1.268 1 1 702 . 8 1 1 A 55 55 ASN H H 55 8.600 8.392 0.208 1 1 703 . 8 1 1 A 55 55 ASN HA H 55 4.510 4.576 -0.066 1 1 708 . 8 1 1 A 55 55 ASN C C 55 175.300 176.978 -1.678 1 1 709 . 8 1 1 A 55 55 ASN CA C 55 53.700 55.244 -1.544 1 1 710 . 8 1 1 A 55 55 ASN CB C 55 37.100 38.382 -1.282 1 1 711 . 8 1 1 A 55 55 ASN N N 55 115.400 118.186 -2.786 1 1 713 . 8 1 1 A 56 56 ALA H H 56 7.630 7.915 -0.285 1 1 714 . 8 1 1 A 56 56 ALA HA H 56 3.970 4.357 -0.387 1 1 718 . 8 1 1 A 56 56 ALA C C 56 176.100 177.022 -0.922 1 1 719 . 8 1 1 A 56 56 ALA CA C 56 53.500 53.003 0.497 1 1 720 . 8 1 1 A 56 56 ALA CB C 56 18.400 19.694 -1.294 1 1 721 . 8 1 1 A 56 56 ALA N N 56 121.200 120.432 0.768 1 1 722 . 8 1 1 A 57 57 GLU H H 57 7.880 8.007 -0.127 1 1 723 . 8 1 1 A 57 57 GLU HA H 57 3.940 3.883 0.057 1 1 728 . 8 1 1 A 57 57 GLU C C 57 175.400 174.917 0.483 1 1 729 . 8 1 1 A 57 57 GLU CA C 57 56.700 57.469 -0.769 1 1 730 . 8 1 1 A 57 57 GLU CB C 57 27.300 27.299 0.001 1 1 732 . 8 1 1 A 57 57 GLU N N 57 112.500 114.652 -2.152 1 1 733 . 8 1 1 A 58 58 LEU H H 58 7.910 7.814 0.096 1 1 734 . 8 1 1 A 58 58 LEU HA H 58 4.740 4.807 -0.067 1 1 744 . 8 1 1 A 58 58 LEU C C 58 175.400 174.482 0.918 1 1 745 . 8 1 1 A 58 58 LEU CA C 58 52.300 51.944 0.356 1 1 746 . 8 1 1 A 58 58 LEU CB C 58 42.900 42.509 0.391 1 1 750 . 8 1 1 A 58 58 LEU N N 58 120.000 120.152 -0.152 1 1 751 . 8 1 1 A 59 59 PRO HA H 59 4.380 4.545 -0.165 1 1 758 . 8 1 1 A 59 59 PRO CA C 59 62.200 62.607 -0.407 1 1 759 . 8 1 1 A 59 59 PRO CB C 59 32.000 31.958 0.042 1 1 762 . 8 1 1 A 60 60 LEU H H 60 7.860 8.309 -0.449 1 1 763 . 8 1 1 A 60 60 LEU HA H 60 3.920 4.447 -0.527 1 1 773 . 8 1 1 A 60 60 LEU C C 60 178.300 177.273 1.027 1 1 774 . 8 1 1 A 60 60 LEU CA C 60 55.000 54.797 0.203 1 1 775 . 8 1 1 A 60 60 LEU CB C 60 41.800 42.563 -0.763 1 1 779 . 8 1 1 A 60 60 LEU N N 60 117.500 123.425 -5.925 1 1 780 . 8 1 1 A 61 61 LEU H H 61 9.680 8.356 1.324 1 1 781 . 8 1 1 A 61 61 LEU HA H 61 4.040 4.052 -0.012 1 1 791 . 8 1 1 A 61 61 LEU C C 61 177.300 176.737 0.563 1 1 792 . 8 1 1 A 61 61 LEU CA C 61 54.100 54.228 -0.128 1 1 793 . 8 1 1 A 61 61 LEU CB C 61 41.300 41.892 -0.592 1 1 797 . 8 1 1 A 61 61 LEU N N 61 122.300 123.877 -1.577 1 1 798 . 8 1 1 A 62 62 GLU H H 62 8.390 9.594 -1.204 1 1 799 . 8 1 1 A 62 62 GLU HA H 62 4.430 4.714 -0.284 1 1 804 . 8 1 1 A 62 62 GLU C C 62 175.600 176.515 -0.915 1 1 805 . 8 1 1 A 62 62 GLU CA C 62 54.800 54.724 0.076 1 1 806 . 8 1 1 A 62 62 GLU CB C 62 32.200 31.936 0.264 1 1 808 . 8 1 1 A 62 62 GLU N N 62 120.500 122.697 -2.197 1 1 809 . 8 1 1 A 63 63 GLN H H 63 8.780 8.831 -0.051 1 1 810 . 8 1 1 A 63 63 GLN HA H 63 3.700 4.053 -0.353 1 1 817 . 8 1 1 A 63 63 GLN C C 63 176.600 176.909 -0.309 1 1 818 . 8 1 1 A 63 63 GLN CA C 63 58.100 57.889 0.211 1 1 819 . 8 1 1 A 63 63 GLN CB C 63 28.300 28.326 -0.026 1 1 821 . 8 1 1 A 63 63 GLN N N 63 123.300 123.884 -0.584 1 1 823 . 8 1 1 A 64 64 GLY H H 64 9.140 9.008 0.132 1 1 824 . 8 1 1 A 64 64 GLY HA2 H 64 3.580 4.017 -0.437 1 1 825 . 8 1 1 A 64 64 GLY HA3 H 64 4.390 4.019 0.371 1 1 826 . 8 1 1 A 64 64 GLY C C 64 173.900 174.423 -0.523 1 1 827 . 8 1 1 A 64 64 GLY CA C 64 45.300 44.970 0.330 1 1 828 . 8 1 1 A 64 64 GLY N N 64 115.100 112.429 2.671 1 1 829 . 8 1 1 A 65 65 GLU H H 65 7.590 7.577 0.013 1 1 830 . 8 1 1 A 65 65 GLU HA H 65 4.490 4.615 -0.125 1 1 835 . 8 1 1 A 65 65 GLU C C 65 174.200 175.249 -1.049 1 1 836 . 8 1 1 A 65 65 GLU CA C 65 54.900 54.974 -0.074 1 1 837 . 8 1 1 A 65 65 GLU CB C 65 30.500 31.094 -0.594 1 1 839 . 8 1 1 A 65 65 GLU N N 65 120.300 120.686 -0.386 1 1 840 . 8 1 1 A 66 66 SER H H 66 8.700 8.450 0.250 1 1 841 . 8 1 1 A 66 66 SER HA H 66 5.330 4.897 0.433 1 1 844 . 8 1 1 A 66 66 SER C C 66 174.100 173.276 0.824 1 1 845 . 8 1 1 A 66 66 SER CA C 66 58.300 57.599 0.701 1 1 846 . 8 1 1 A 66 66 SER CB C 66 65.500 64.251 1.249 1 1 847 . 8 1 1 A 66 66 SER N N 66 116.500 117.857 -1.357 1 1 848 . 8 1 1 A 67 67 TYR H H 67 9.090 8.785 0.305 1 1 849 . 8 1 1 A 67 67 TYR HA H 67 5.110 5.144 -0.034 1 1 856 . 8 1 1 A 67 67 TYR C C 67 173.900 174.247 -0.347 1 1 857 . 8 1 1 A 67 67 TYR CA C 67 57.500 56.126 1.374 1 1 858 . 8 1 1 A 67 67 TYR CB C 67 43.900 42.940 0.960 1 1 863 . 8 1 1 A 67 67 TYR N N 67 119.000 123.979 -4.979 1 1 864 . 8 1 1 A 68 68 LEU H H 68 9.230 8.840 0.390 1 1 865 . 8 1 1 A 68 68 LEU HA H 68 5.000 5.135 -0.135 1 1 875 . 8 1 1 A 68 68 LEU C C 68 175.300 174.490 0.810 1 1 876 . 8 1 1 A 68 68 LEU CA C 68 54.300 53.828 0.472 1 1 877 . 8 1 1 A 68 68 LEU CB C 68 43.800 45.163 -1.363 1 1 881 . 8 1 1 A 68 68 LEU N N 68 121.800 124.880 -3.080 1 1 882 . 8 1 1 A 69 69 LEU H H 69 9.460 8.968 0.492 1 1 883 . 8 1 1 A 69 69 LEU HA H 69 5.010 5.020 -0.010 1 1 893 . 8 1 1 A 69 69 LEU C C 69 175.000 175.525 -0.525 1 1 894 . 8 1 1 A 69 69 LEU CA C 69 54.100 53.658 0.442 1 1 895 . 8 1 1 A 69 69 LEU CB C 69 42.300 42.896 -0.596 1 1 899 . 8 1 1 A 69 69 LEU N N 69 128.500 128.260 0.240 1 1 900 . 8 1 1 A 70 70 ARG H H 70 8.910 8.520 0.390 1 1 901 . 8 1 1 A 70 70 ARG HA H 70 4.850 4.778 0.072 1 1 909 . 8 1 1 A 70 70 ARG C C 70 176.400 176.740 -0.340 1 1 910 . 8 1 1 A 70 70 ARG CA C 70 54.900 54.755 0.145 1 1 911 . 8 1 1 A 70 70 ARG CB C 70 32.300 32.476 -0.176 1 1 914 . 8 1 1 A 70 70 ARG N N 70 121.500 124.357 -2.857 1 1 916 . 8 1 1 A 71 71 SER H H 71 8.800 9.194 -0.394 1 1 917 . 8 1 1 A 71 71 SER HA H 71 3.870 4.192 -0.322 1 1 920 . 8 1 1 A 71 71 SER C C 71 175.800 173.388 2.412 1 1 921 . 8 1 1 A 71 71 SER CA C 71 58.600 59.132 -0.532 1 1 922 . 8 1 1 A 71 71 SER CB C 71 62.000 61.791 0.209 1 1 923 . 8 1 1 A 71 71 SER N N 71 114.400 117.760 -3.360 1 1 924 . 8 1 1 A 72 72 VAL H H 72 8.750 7.435 1.315 1 1 925 . 8 1 1 A 72 72 VAL HA H 72 4.610 5.006 -0.396 1 1 933 . 8 1 1 A 72 72 VAL C C 72 173.300 173.983 -0.683 1 1 934 . 8 1 1 A 72 72 VAL CA C 72 59.300 59.699 -0.399 1 1 935 . 8 1 1 A 72 72 VAL CB C 72 31.900 35.144 -3.244 1 1 938 . 8 1 1 A 72 72 VAL N N 72 115.500 115.312 0.188 1 1 939 . 8 1 1 A 73 73 VAL H H 73 7.940 8.235 -0.295 1 1 940 . 8 1 1 A 73 73 VAL HA H 73 4.760 4.702 0.058 1 1 948 . 8 1 1 A 73 73 VAL C C 73 174.300 173.426 0.874 1 1 949 . 8 1 1 A 73 73 VAL CA C 73 58.800 59.126 -0.326 1 1 950 . 8 1 1 A 73 73 VAL CB C 73 34.500 35.061 -0.561 1 1 953 . 8 1 1 A 73 73 VAL N N 73 118.200 120.867 -2.667 1 1 954 . 8 1 1 A 74 74 VAL H H 74 8.430 8.002 0.428 1 1 955 . 8 1 1 A 74 74 VAL HA H 74 4.560 4.650 -0.090 1 1 963 . 8 1 1 A 74 74 VAL C C 74 177.300 175.363 1.937 1 1 964 . 8 1 1 A 74 74 VAL CA C 74 62.100 60.861 1.239 1 1 965 . 8 1 1 A 74 74 VAL CB C 74 32.700 33.980 -1.280 1 1 968 . 8 1 1 A 74 74 VAL N N 74 127.800 125.619 2.181 1 1 969 . 8 1 1 A 75 75 GLY H H 75 9.040 8.867 0.173 1 1 970 . 8 1 1 A 75 75 GLY HA2 H 75 3.750 4.291 -0.541 1 1 971 . 8 1 1 A 75 75 GLY HA3 H 75 5.120 4.319 0.801 1 1 972 . 8 1 1 A 75 75 GLY C C 75 172.500 171.858 0.642 1 1 973 . 8 1 1 A 75 75 GLY CA C 75 43.700 43.884 -0.184 1 1 974 . 8 1 1 A 75 75 GLY N N 75 116.000 115.630 0.370 1 1 975 . 8 1 1 A 76 76 GLU H H 76 8.380 8.618 -0.238 1 1 976 . 8 1 1 A 76 76 GLU HA H 76 4.690 4.594 0.096 1 1 981 . 8 1 1 A 76 76 GLU C C 76 176.000 174.639 1.361 1 1 982 . 8 1 1 A 76 76 GLU CA C 76 56.100 55.037 1.063 1 1 983 . 8 1 1 A 76 76 GLU CB C 76 32.000 30.310 1.690 1 1 985 . 8 1 1 A 76 76 GLU N N 76 120.200 122.258 -2.058 1 1 986 . 8 1 1 A 77 77 TYR H H 77 8.430 8.634 -0.204 1 1 987 . 8 1 1 A 77 77 TYR HA H 77 4.570 4.836 -0.266 1 1 994 . 8 1 1 A 77 77 TYR C C 77 174.200 174.949 -0.749 1 1 995 . 8 1 1 A 77 77 TYR CA C 77 56.500 57.552 -1.052 1 1 996 . 8 1 1 A 77 77 TYR CB C 77 39.800 40.686 -0.886 1 1 1001 . 8 1 1 A 77 77 TYR N N 77 124.400 129.098 -4.698 1 1 1002 . 8 1 1 A 78 78 ASN H H 78 9.100 9.113 -0.013 1 1 1003 . 8 1 1 A 78 78 ASN HA H 78 4.000 4.148 -0.148 1 1 1008 . 8 1 1 A 78 78 ASN C C 78 177.300 174.120 3.180 1 1 1009 . 8 1 1 A 78 78 ASN CA C 78 54.700 54.328 0.372 1 1 1010 . 8 1 1 A 78 78 ASN CB C 78 36.600 36.395 0.205 1 1 1011 . 8 1 1 A 78 78 ASN N N 78 125.800 125.353 0.447 1 1 1013 . 8 1 1 A 79 79 ASP H H 79 8.640 8.411 0.229 1 1 1014 . 8 1 1 A 79 79 ASP HA H 79 4.240 4.103 0.137 1 1 1017 . 8 1 1 A 79 79 ASP C C 79 174.600 175.096 -0.496 1 1 1018 . 8 1 1 A 79 79 ASP CA C 79 54.900 55.681 -0.781 1 1 1019 . 8 1 1 A 79 79 ASP CB C 79 39.700 39.096 0.604 1 1 1020 . 8 1 1 A 79 79 ASP N N 79 115.700 109.124 6.576 1 1 1021 . 8 1 1 A 80 80 ARG H H 80 7.880 7.588 0.292 1 1 1022 . 8 1 1 A 80 80 ARG HA H 80 4.370 4.300 0.070 1 1 1030 . 8 1 1 A 80 80 ARG C C 80 175.000 175.558 -0.558 1 1 1031 . 8 1 1 A 80 80 ARG CA C 80 54.200 55.049 -0.849 1 1 1032 . 8 1 1 A 80 80 ARG CB C 80 31.800 31.413 0.387 1 1 1035 . 8 1 1 A 80 80 ARG N N 80 119.700 119.963 -0.263 1 1 1037 . 8 1 1 A 81 81 PHE H H 81 8.410 8.834 -0.424 1 1 1038 . 8 1 1 A 81 81 PHE HA H 81 5.420 4.961 0.459 1 1 1046 . 8 1 1 A 81 81 PHE C C 81 174.400 175.270 -0.870 1 1 1047 . 8 1 1 A 81 81 PHE CA C 81 57.200 57.986 -0.786 1 1 1048 . 8 1 1 A 81 81 PHE CB C 81 42.000 40.482 1.518 1 1 1054 . 8 1 1 A 81 81 PHE N N 81 120.700 120.194 0.506 1 1 1055 . 8 1 1 A 82 82 GLN H H 82 8.950 8.573 0.377 1 1 1056 . 8 1 1 A 82 82 GLN HA H 82 5.110 4.873 0.237 1 1 1063 . 8 1 1 A 82 82 GLN C C 82 172.400 174.000 -1.600 1 1 1064 . 8 1 1 A 82 82 GLN CA C 82 53.500 54.659 -1.159 1 1 1065 . 8 1 1 A 82 82 GLN CB C 82 31.900 33.081 -1.181 1 1 1067 . 8 1 1 A 82 82 GLN N N 82 115.000 122.200 -7.200 1 1 1069 . 8 1 1 A 83 83 VAL H H 83 9.090 8.485 0.605 1 1 1070 . 8 1 1 A 83 83 VAL HA H 83 4.380 4.658 -0.278 1 1 1078 . 8 1 1 A 83 83 VAL C C 83 174.600 175.146 -0.546 1 1 1079 . 8 1 1 A 83 83 VAL CA C 83 61.600 61.817 -0.217 1 1 1080 . 8 1 1 A 83 83 VAL CB C 83 33.500 32.749 0.751 1 1 1083 . 8 1 1 A 83 83 VAL N N 83 118.900 126.139 -7.239 1 1 1084 . 8 1 1 A 84 84 GLN H H 84 9.280 8.685 0.595 1 1 1085 . 8 1 1 A 84 84 GLN HA H 84 5.020 4.993 0.027 1 1 1092 . 8 1 1 A 84 84 GLN C C 84 174.500 174.709 -0.209 1 1 1093 . 8 1 1 A 84 84 GLN CA C 84 54.400 54.590 -0.190 1 1 1094 . 8 1 1 A 84 84 GLN CB C 84 29.900 30.870 -0.970 1 1 1096 . 8 1 1 A 84 84 GLN N N 84 124.800 127.198 -2.398 1 1 1098 . 8 1 1 A 85 85 VAL H H 85 8.680 8.884 -0.204 1 1 1099 . 8 1 1 A 85 85 VAL HA H 85 4.300 4.917 -0.617 1 1 1107 . 8 1 1 A 85 85 VAL C C 85 174.500 174.718 -0.218 1 1 1108 . 8 1 1 A 85 85 VAL CA C 85 61.700 61.187 0.513 1 1 1109 . 8 1 1 A 85 85 VAL CB C 85 31.700 33.190 -1.490 1 1 1112 . 8 1 1 A 85 85 VAL N N 85 125.500 125.745 -0.245 1 1 1113 . 8 1 1 A 86 86 ASN H H 86 8.740 9.146 -0.406 1 1 1114 . 8 1 1 A 86 86 ASN HA H 86 5.240 5.422 -0.182 1 1 1119 . 8 1 1 A 86 86 ASN C C 86 175.300 173.571 1.729 1 1 1120 . 8 1 1 A 86 86 ASN CA C 86 51.800 51.599 0.201 1 1 1121 . 8 1 1 A 86 86 ASN CB C 86 42.400 41.197 1.203 1 1 1122 . 8 1 1 A 86 86 ASN N N 86 124.000 123.063 0.937 1 1 1124 . 8 1 1 A 87 87 LYS H H 87 8.530 8.512 0.018 1 1 1125 . 8 1 1 A 87 87 LYS HA H 87 4.210 3.906 0.304 1 1 1134 . 8 1 1 A 87 87 LYS C C 87 176.700 177.156 -0.456 1 1 1135 . 8 1 1 A 87 87 LYS CA C 87 59.000 57.830 1.170 1 1 1136 . 8 1 1 A 87 87 LYS CB C 87 32.400 32.364 0.036 1 1 1140 . 8 1 1 A 87 87 LYS N N 87 117.600 122.152 -4.552 1 1 1141 . 8 1 1 A 88 88 ASN H H 88 8.600 8.996 -0.396 1 1 1142 . 8 1 1 A 88 88 ASN HA H 88 4.810 4.643 0.167 1 1 1147 . 8 1 1 A 88 88 ASN C C 88 175.600 174.554 1.046 1 1 1148 . 8 1 1 A 88 88 ASN CA C 88 54.100 54.776 -0.676 1 1 1149 . 8 1 1 A 88 88 ASN CB C 88 39.100 38.210 0.890 1 1 1150 . 8 1 1 A 88 88 ASN N N 88 115.500 123.880 -8.380 1 1 1152 . 8 1 1 A 89 89 SER H H 89 8.150 8.011 0.139 1 1 1153 . 8 1 1 A 89 89 SER HA H 89 5.120 4.700 0.420 1 1 1156 . 8 1 1 A 89 89 SER C C 89 172.400 173.593 -1.193 1 1 1157 . 8 1 1 A 89 89 SER CA C 89 58.100 58.149 -0.049 1 1 1158 . 8 1 1 A 89 89 SER CB C 89 64.000 64.730 -0.730 1 1 1159 . 8 1 1 A 89 89 SER N N 89 117.500 117.766 -0.266 1 1 1160 . 8 1 1 A 90 90 SER H H 90 8.200 8.474 -0.274 1 1 1161 . 8 1 1 A 90 90 SER HA H 90 4.680 4.908 -0.228 1 1 1164 . 8 1 1 A 90 90 SER C C 90 172.400 172.166 0.234 1 1 1165 . 8 1 1 A 90 90 SER CA C 90 57.700 56.772 0.928 1 1 1166 . 8 1 1 A 90 90 SER CB C 90 65.700 64.886 0.814 1 1 1167 . 8 1 1 A 90 90 SER N N 90 113.200 119.574 -6.374 1 1 1168 . 8 1 1 A 91 91 ILE H H 91 8.640 8.510 0.130 1 1 1169 . 8 1 1 A 91 91 ILE HA H 91 5.030 5.167 -0.137 1 1 1179 . 8 1 1 A 91 91 ILE C C 91 175.300 174.091 1.209 1 1 1180 . 8 1 1 A 91 91 ILE CA C 91 60.200 60.358 -0.158 1 1 1181 . 8 1 1 A 91 91 ILE CB C 91 42.200 42.126 0.074 1 1 1185 . 8 1 1 A 91 91 ILE N N 91 119.700 122.320 -2.620 1 1 1186 . 8 1 1 A 92 92 GLU H H 92 8.810 8.986 -0.176 1 1 1187 . 8 1 1 A 92 92 GLU HA H 92 4.710 5.219 -0.509 1 1 1192 . 8 1 1 A 92 92 GLU C C 92 174.700 175.900 -1.200 1 1 1193 . 8 1 1 A 92 92 GLU CA C 92 54.600 54.666 -0.066 1 1 1194 . 8 1 1 A 92 92 GLU CB C 92 33.300 32.942 0.358 1 1 1196 . 8 1 1 A 92 92 GLU N N 92 125.900 127.962 -2.062 1 1 1197 . 8 1 1 A 93 93 LYS H H 93 9.080 8.533 0.547 1 1 1198 . 8 1 1 A 93 93 LYS HA H 93 4.100 4.204 -0.104 1 1 1207 . 8 1 1 A 93 93 LYS C C 93 176.400 176.040 0.360 1 1 1208 . 8 1 1 A 93 93 LYS CA C 93 57.500 56.479 1.021 1 1 1209 . 8 1 1 A 93 93 LYS CB C 93 32.900 33.084 -0.184 1 1 1213 . 8 1 1 A 93 93 LYS N N 93 127.600 126.735 0.865 1 1 1214 . 8 1 1 A 94 94 LEU H H 94 8.410 8.405 0.005 1 1 1215 . 8 1 1 A 94 94 LEU HA H 94 4.480 4.898 -0.418 1 1 1224 . 8 1 1 A 94 94 LEU C C 94 177.300 176.687 0.613 1 1 1225 . 8 1 1 A 94 94 LEU CA C 94 53.900 53.001 0.899 1 1 1226 . 8 1 1 A 94 94 LEU CB C 94 42.900 43.972 -1.072 1 1 1230 . 8 1 1 A 94 94 LEU N N 94 127.300 124.561 2.739 1 1 1231 . 8 1 1 A 95 95 SER H H 95 8.630 8.754 -0.124 1 1 1232 . 8 1 1 A 95 95 SER HA H 95 4.350 4.590 -0.240 1 1 1235 . 8 1 1 A 95 95 SER C C 95 173.800 173.351 0.449 1 1 1236 . 8 1 1 A 95 95 SER CA C 95 58.900 58.484 0.416 1 1 1237 . 8 1 1 A 95 95 SER CB C 95 63.400 63.700 -0.300 1 1 1238 . 8 1 1 A 95 95 SER N N 95 115.700 117.429 -1.729 1 1 1239 . 8 1 1 A 96 96 GLU H H 96 7.230 7.640 -0.410 1 1 1240 . 8 1 1 A 96 96 GLU HA H 96 4.750 4.701 0.049 1 1 1245 . 8 1 1 A 96 96 GLU CA C 96 53.000 53.699 -0.699 1 1 1246 . 8 1 1 A 96 96 GLU CB C 96 30.700 30.358 0.342 1 1 1248 . 8 1 1 A 96 96 GLU N N 96 121.600 120.980 0.620 1 1 1249 . 8 1 1 A 97 97 PRO HA H 97 4.250 4.474 -0.224 1 1 1256 . 8 1 1 A 97 97 PRO CA C 97 62.400 62.870 -0.470 1 1 1257 . 8 1 1 A 97 97 PRO CB C 97 32.600 32.393 0.207 1 1 1260 . 8 1 1 A 98 98 ILE H H 98 7.920 8.403 -0.483 1 1 1261 . 8 1 1 A 98 98 ILE HA H 98 4.070 4.605 -0.535 1 1 1271 . 8 1 1 A 98 98 ILE C C 98 175.400 175.074 0.326 1 1 1272 . 8 1 1 A 98 98 ILE CA C 98 59.300 60.022 -0.722 1 1 1273 . 8 1 1 A 98 98 ILE CB C 98 38.300 39.893 -1.593 1 1 1277 . 8 1 1 A 98 98 ILE N N 98 122.700 121.424 1.276 1 1 1278 . 8 1 1 A 99 99 GLU H H 99 8.550 8.859 -0.309 1 1 1279 . 8 1 1 A 99 99 GLU HA H 99 4.260 4.571 -0.311 1 1 1284 . 8 1 1 A 99 99 GLU C C 99 175.100 176.033 -0.933 1 1 1285 . 8 1 1 A 99 99 GLU CA C 99 55.500 56.127 -0.627 1 1 1286 . 8 1 1 A 99 99 GLU CB C 99 30.000 30.621 -0.621 1 1 1288 . 8 1 1 A 99 99 GLU N N 99 127.900 126.414 1.486 1 1 1289 . 8 1 1 A 100 100 VAL H H 100 7.970 8.568 -0.598 1 1 1290 . 8 1 1 A 100 100 VAL HA H 100 3.980 4.479 -0.499 1 1 1298 . 8 1 1 A 100 100 VAL C C 100 176.700 176.070 0.630 1 1 1299 . 8 1 1 A 100 100 VAL CA C 100 61.000 62.332 -1.332 1 1 1300 . 8 1 1 A 100 100 VAL CB C 100 33.000 32.928 0.072 1 1 1303 . 8 1 1 A 100 100 VAL N N 100 121.100 124.066 -2.966 1 1 1304 . 8 1 1 A 101 101 GLY H H 101 8.520 8.082 0.438 1 1 1305 . 8 1 1 A 101 101 GLY HA2 H 101 3.830 4.070 -0.240 1 1 1306 . 8 1 1 A 101 101 GLY HA3 H 101 3.980 4.082 -0.102 1 1 1307 . 8 1 1 A 101 101 GLY C C 101 174.200 174.564 -0.364 1 1 1308 . 8 1 1 A 101 101 GLY CA C 101 45.800 44.493 1.307 1 1 1309 . 8 1 1 A 101 101 GLY N N 101 114.000 110.112 3.888 1 1 1310 . 8 1 1 A 102 102 LEU H H 102 8.100 8.832 -0.732 1 1 1311 . 8 1 1 A 102 102 LEU HA H 102 4.170 4.086 0.084 1 1 1320 . 8 1 1 A 102 102 LEU C C 102 177.700 176.884 0.816 1 1 1321 . 8 1 1 A 102 102 LEU CA C 102 55.500 55.610 -0.110 1 1 1322 . 8 1 1 A 102 102 LEU CB C 102 42.600 40.657 1.943 1 1 1326 . 8 1 1 A 102 102 LEU N N 102 121.000 120.867 0.133 1 1 1327 . 8 1 1 A 103 103 GLU H H 103 8.420 8.250 0.170 1 1 1328 . 8 1 1 A 103 103 GLU HA H 103 4.090 4.346 -0.256 1 1 1333 . 8 1 1 A 103 103 GLU C C 103 176.400 178.418 -2.018 1 1 1334 . 8 1 1 A 103 103 GLU CA C 103 57.100 57.152 -0.052 1 1 1335 . 8 1 1 A 103 103 GLU CB C 103 29.900 30.284 -0.384 1 1 1337 . 8 1 1 A 103 103 GLU N N 103 120.000 122.454 -2.454 1 1 1338 . 8 1 1 A 104 104 HIS H H 104 8.180 7.518 0.662 1 1 1339 . 8 1 1 A 104 104 HIS HA H 104 4.580 4.297 0.283 1 1 1342 . 8 1 1 A 104 104 HIS C C 104 173.800 175.438 -1.638 1 1 1343 . 8 1 1 A 104 104 HIS CA C 104 55.700 59.333 -3.633 1 1 1344 . 8 1 1 A 104 104 HIS CB C 104 30.000 29.660 0.340 1 1 1345 . 8 1 1 A 104 104 HIS N N 104 119.000 117.602 1.398 1 1 1346 . 8 1 1 A 105 105 HIS H H 105 8.160 8.120 0.040 1 1 1347 . 8 1 1 A 105 105 HIS HA H 105 4.380 4.101 0.279 1 1 1350 . 8 1 1 A 105 105 HIS CA C 105 57.200 56.999 0.201 1 1 1351 . 8 1 1 A 105 105 HIS CB C 105 30.000 29.173 0.827 1 1 1 . 9 1 1 A 3 3 PRO HA H 3 4.430 4.566 -0.136 1 1 8 . 9 1 1 A 3 3 PRO C C 3 175.600 176.091 -0.491 1 1 9 . 9 1 1 A 3 3 PRO CA C 3 62.510 62.653 -0.143 1 1 10 . 9 1 1 A 3 3 PRO CB C 3 32.000 32.224 -0.224 1 1 13 . 9 1 1 A 4 4 GLN H H 4 8.580 8.507 0.073 1 1 14 . 9 1 1 A 4 4 GLN HA H 4 4.260 4.590 -0.330 1 1 21 . 9 1 1 A 4 4 GLN C C 4 176.900 175.261 1.639 1 1 22 . 9 1 1 A 4 4 GLN CA C 4 55.700 56.072 -0.372 1 1 23 . 9 1 1 A 4 4 GLN CB C 4 29.200 29.539 -0.339 1 1 25 . 9 1 1 A 4 4 GLN N N 4 120.000 121.159 -1.159 1 1 27 . 9 1 1 A 5 5 LEU H H 5 8.920 8.834 0.086 1 1 28 . 9 1 1 A 5 5 LEU HA H 5 4.660 5.108 -0.448 1 1 38 . 9 1 1 A 5 5 LEU C C 5 176.900 176.082 0.818 1 1 39 . 9 1 1 A 5 5 LEU CA C 5 54.700 54.104 0.596 1 1 40 . 9 1 1 A 5 5 LEU CB C 5 43.000 43.189 -0.189 1 1 44 . 9 1 1 A 5 5 LEU N N 5 128.500 125.911 2.589 1 1 45 . 9 1 1 A 6 6 THR H H 6 8.750 9.033 -0.283 1 1 46 . 9 1 1 A 6 6 THR HA H 6 4.530 5.080 -0.550 1 1 51 . 9 1 1 A 6 6 THR C C 6 173.700 173.830 -0.130 1 1 52 . 9 1 1 A 6 6 THR CA C 6 61.600 61.441 0.159 1 1 53 . 9 1 1 A 6 6 THR CB C 6 72.000 71.364 0.636 1 1 55 . 9 1 1 A 6 6 THR N N 6 121.000 121.338 -0.338 1 1 56 . 9 1 1 A 7 7 LYS H H 7 9.080 8.943 0.137 1 1 57 . 9 1 1 A 7 7 LYS HA H 7 4.430 4.553 -0.123 1 1 66 . 9 1 1 A 7 7 LYS C C 7 178.600 178.301 0.299 1 1 67 . 9 1 1 A 7 7 LYS CA C 7 54.300 54.663 -0.363 1 1 68 . 9 1 1 A 7 7 LYS CB C 7 32.300 33.773 -1.473 1 1 72 . 9 1 1 A 7 7 LYS N N 7 126.300 124.234 2.066 1 1 73 . 9 1 1 A 8 8 ILE H H 8 9.870 8.896 0.974 1 1 74 . 9 1 1 A 8 8 ILE HA H 8 3.240 3.758 -0.518 1 1 82 . 9 1 1 A 8 8 ILE C C 8 178.700 177.925 0.775 1 1 83 . 9 1 1 A 8 8 ILE CA C 8 66.800 65.397 1.403 1 1 84 . 9 1 1 A 8 8 ILE CB C 8 36.400 37.590 -1.190 1 1 87 . 9 1 1 A 8 8 ILE N N 8 124.700 122.722 1.978 1 1 88 . 9 1 1 A 9 9 VAL H H 9 8.340 8.072 0.268 1 1 89 . 9 1 1 A 9 9 VAL HA H 9 3.930 3.891 0.039 1 1 97 . 9 1 1 A 9 9 VAL C C 9 178.700 176.948 1.752 1 1 98 . 9 1 1 A 9 9 VAL CA C 9 63.300 64.593 -1.293 1 1 99 . 9 1 1 A 9 9 VAL CB C 9 31.700 31.612 0.088 1 1 102 . 9 1 1 A 9 9 VAL N N 9 119.500 120.577 -1.077 1 1 103 . 9 1 1 A 10 10 ASP H H 10 7.510 7.816 -0.306 1 1 104 . 9 1 1 A 10 10 ASP HA H 10 4.730 4.661 0.069 1 1 107 . 9 1 1 A 10 10 ASP C C 10 174.500 176.298 -1.798 1 1 108 . 9 1 1 A 10 10 ASP CA C 10 54.400 53.871 0.529 1 1 109 . 9 1 1 A 10 10 ASP CB C 10 41.100 41.072 0.028 1 1 110 . 9 1 1 A 10 10 ASP N N 10 119.100 120.244 -1.144 1 1 111 . 9 1 1 A 11 11 ILE H H 11 7.460 7.618 -0.158 1 1 112 . 9 1 1 A 11 11 ILE HA H 11 3.800 4.084 -0.284 1 1 122 . 9 1 1 A 11 11 ILE C C 11 174.900 175.511 -0.611 1 1 123 . 9 1 1 A 11 11 ILE CA C 11 62.100 60.806 1.294 1 1 124 . 9 1 1 A 11 11 ILE CB C 11 35.300 37.762 -2.462 1 1 128 . 9 1 1 A 11 11 ILE N N 11 124.200 121.769 2.431 1 1 129 . 9 1 1 A 12 12 VAL H H 12 8.530 8.700 -0.170 1 1 130 . 9 1 1 A 12 12 VAL HA H 12 4.260 4.135 0.125 1 1 138 . 9 1 1 A 12 12 VAL C C 12 174.900 174.421 0.479 1 1 139 . 9 1 1 A 12 12 VAL CA C 12 60.600 61.317 -0.717 1 1 140 . 9 1 1 A 12 12 VAL CB C 12 35.400 34.473 0.927 1 1 143 . 9 1 1 A 12 12 VAL N N 12 118.400 127.452 -9.052 1 1 144 . 9 1 1 A 13 13 GLU H H 13 7.430 7.614 -0.184 1 1 145 . 9 1 1 A 13 13 GLU HA H 13 4.590 4.716 -0.126 1 1 150 . 9 1 1 A 13 13 GLU C C 13 173.800 175.336 -1.536 1 1 151 . 9 1 1 A 13 13 GLU CA C 13 54.800 54.599 0.201 1 1 152 . 9 1 1 A 13 13 GLU CB C 13 33.160 33.207 -0.047 1 1 154 . 9 1 1 A 13 13 GLU N N 13 120.100 120.434 -0.334 1 1 155 . 9 1 1 A 14 14 ASN H H 14 8.800 8.741 0.059 1 1 156 . 9 1 1 A 14 14 ASN HA H 14 4.110 5.007 -0.897 1 1 161 . 9 1 1 A 14 14 ASN C C 14 176.600 175.686 0.914 1 1 162 . 9 1 1 A 14 14 ASN CA C 14 54.600 52.301 2.299 1 1 163 . 9 1 1 A 14 14 ASN CB C 14 38.900 39.899 -0.999 1 1 164 . 9 1 1 A 14 14 ASN N N 14 121.500 121.144 0.356 1 1 166 . 9 1 1 A 15 15 GLY H H 15 8.620 9.344 -0.724 1 1 167 . 9 1 1 A 15 15 GLY HA2 H 15 3.460 3.714 -0.254 1 1 168 . 9 1 1 A 15 15 GLY HA3 H 15 4.110 3.800 0.310 1 1 169 . 9 1 1 A 15 15 GLY C C 15 173.100 173.732 -0.632 1 1 170 . 9 1 1 A 15 15 GLY CA C 15 45.300 45.555 -0.255 1 1 171 . 9 1 1 A 15 15 GLY N N 15 114.900 110.604 4.296 1 1 172 . 9 1 1 A 16 16 GLN H H 16 7.280 7.745 -0.465 1 1 173 . 9 1 1 A 16 16 GLN HA H 16 4.160 4.668 -0.508 1 1 180 . 9 1 1 A 16 16 GLN C C 16 174.400 174.519 -0.119 1 1 181 . 9 1 1 A 16 16 GLN CA C 16 56.300 54.556 1.744 1 1 182 . 9 1 1 A 16 16 GLN CB C 16 30.300 30.978 -0.678 1 1 184 . 9 1 1 A 16 16 GLN N N 16 121.500 117.437 4.063 1 1 186 . 9 1 1 A 17 17 TRP H H 17 8.640 8.710 -0.070 1 1 187 . 9 1 1 A 17 17 TRP HA H 17 5.400 5.556 -0.156 1 1 196 . 9 1 1 A 17 17 TRP C C 17 176.900 176.009 0.891 1 1 197 . 9 1 1 A 17 17 TRP CA C 17 56.400 56.399 0.001 1 1 198 . 9 1 1 A 17 17 TRP CB C 17 30.300 31.161 -0.861 1 1 204 . 9 1 1 A 17 17 TRP N N 17 125.500 120.471 5.029 1 1 206 . 9 1 1 A 18 18 ALA H H 18 9.020 8.603 0.417 1 1 207 . 9 1 1 A 18 18 ALA HA H 18 4.650 4.906 -0.256 1 1 211 . 9 1 1 A 18 18 ALA C C 18 174.100 175.344 -1.244 1 1 212 . 9 1 1 A 18 18 ALA CA C 18 51.430 51.365 0.065 1 1 213 . 9 1 1 A 18 18 ALA CB C 18 22.600 23.740 -1.140 1 1 214 . 9 1 1 A 18 18 ALA N N 18 124.000 122.417 1.583 1 1 215 . 9 1 1 A 19 19 ASN H H 19 8.250 8.495 -0.245 1 1 216 . 9 1 1 A 19 19 ASN HA H 19 5.710 5.662 0.048 1 1 221 . 9 1 1 A 19 19 ASN C C 19 173.500 173.582 -0.082 1 1 222 . 9 1 1 A 19 19 ASN CA C 19 51.600 51.943 -0.343 1 1 223 . 9 1 1 A 19 19 ASN CB C 19 40.100 42.521 -2.421 1 1 224 . 9 1 1 A 19 19 ASN N N 19 116.500 117.310 -0.810 1 1 226 . 9 1 1 A 20 20 LEU H H 20 9.280 8.287 0.993 1 1 227 . 9 1 1 A 20 20 LEU HA H 20 4.930 5.006 -0.076 1 1 236 . 9 1 1 A 20 20 LEU C C 20 174.800 173.869 0.931 1 1 237 . 9 1 1 A 20 20 LEU CA C 20 54.200 53.989 0.211 1 1 238 . 9 1 1 A 20 20 LEU CB C 20 46.300 46.217 0.083 1 1 241 . 9 1 1 A 20 20 LEU N N 20 121.800 123.826 -2.026 1 1 242 . 9 1 1 A 21 21 LYS H H 21 8.550 9.053 -0.503 1 1 243 . 9 1 1 A 21 21 LYS HA H 21 5.450 5.221 0.229 1 1 252 . 9 1 1 A 21 21 LYS C C 21 174.800 175.346 -0.546 1 1 253 . 9 1 1 A 21 21 LYS CA C 21 55.350 54.870 0.480 1 1 254 . 9 1 1 A 21 21 LYS CB C 21 34.300 34.484 -0.184 1 1 258 . 9 1 1 A 21 21 LYS N N 21 122.500 126.042 -3.542 1 1 259 . 9 1 1 A 22 22 ALA H H 22 9.090 8.413 0.677 1 1 260 . 9 1 1 A 22 22 ALA HA H 22 4.830 5.098 -0.268 1 1 264 . 9 1 1 A 22 22 ALA C C 22 173.800 174.965 -1.165 1 1 265 . 9 1 1 A 22 22 ALA CA C 22 51.300 50.813 0.487 1 1 266 . 9 1 1 A 22 22 ALA CB C 22 24.700 23.929 0.771 1 1 267 . 9 1 1 A 22 22 ALA N N 22 123.200 127.532 -4.332 1 1 268 . 9 1 1 A 23 23 LYS H H 23 9.190 8.285 0.905 1 1 269 . 9 1 1 A 23 23 LYS HA H 23 5.080 4.995 0.085 1 1 276 . 9 1 1 A 23 23 LYS C C 23 176.900 175.696 1.204 1 1 277 . 9 1 1 A 23 23 LYS CA C 23 54.100 54.737 -0.637 1 1 278 . 9 1 1 A 23 23 LYS CB C 23 35.800 34.441 1.359 1 1 281 . 9 1 1 A 23 23 LYS N N 23 121.100 121.227 -0.127 1 1 282 . 9 1 1 A 24 24 VAL H H 24 8.620 8.602 0.018 1 1 283 . 9 1 1 A 24 24 VAL HA H 24 4.110 4.258 -0.148 1 1 291 . 9 1 1 A 24 24 VAL C C 24 175.800 176.593 -0.793 1 1 292 . 9 1 1 A 24 24 VAL CA C 24 62.750 62.884 -0.134 1 1 293 . 9 1 1 A 24 24 VAL CB C 24 30.500 31.122 -0.622 1 1 296 . 9 1 1 A 24 24 VAL N N 24 125.600 126.104 -0.504 1 1 297 . 9 1 1 A 25 25 ILE H H 25 8.430 8.856 -0.426 1 1 298 . 9 1 1 A 25 25 ILE HA H 25 4.210 4.251 -0.041 1 1 308 . 9 1 1 A 25 25 ILE C C 25 176.700 175.887 0.813 1 1 309 . 9 1 1 A 25 25 ILE CA C 25 62.100 62.137 -0.037 1 1 310 . 9 1 1 A 25 25 ILE CB C 25 38.300 38.429 -0.129 1 1 314 . 9 1 1 A 25 25 ILE N N 25 127.400 123.877 3.523 1 1 315 . 9 1 1 A 26 26 GLN H H 26 7.590 7.772 -0.182 1 1 316 . 9 1 1 A 26 26 GLN HA H 26 4.560 4.779 -0.219 1 1 323 . 9 1 1 A 26 26 GLN C C 26 173.700 173.203 0.497 1 1 324 . 9 1 1 A 26 26 GLN CA C 26 55.400 55.474 -0.074 1 1 325 . 9 1 1 A 26 26 GLN CB C 26 34.100 32.329 1.771 1 1 327 . 9 1 1 A 26 26 GLN N N 26 117.100 120.701 -3.601 1 1 329 . 9 1 1 A 27 27 LEU H H 27 8.470 8.867 -0.397 1 1 330 . 9 1 1 A 27 27 LEU HA H 27 4.710 5.371 -0.661 1 1 340 . 9 1 1 A 27 27 LEU C C 27 176.200 173.969 2.231 1 1 341 . 9 1 1 A 27 27 LEU CA C 27 54.100 53.060 1.040 1 1 342 . 9 1 1 A 27 27 LEU CB C 27 44.000 46.534 -2.534 1 1 346 . 9 1 1 A 27 27 LEU N N 27 123.600 127.403 -3.803 1 1 347 . 9 1 1 A 28 28 TRP H H 28 8.850 8.616 0.234 1 1 348 . 9 1 1 A 28 28 TRP HA H 28 5.180 5.120 0.060 1 1 357 . 9 1 1 A 28 28 TRP C C 28 175.900 175.988 -0.088 1 1 358 . 9 1 1 A 28 28 TRP CA C 28 53.300 55.895 -2.595 1 1 359 . 9 1 1 A 28 28 TRP CB C 28 31.400 33.130 -1.730 1 1 365 . 9 1 1 A 28 28 TRP N N 28 123.900 125.104 -1.204 1 1 367 . 9 1 1 A 29 29 GLU H H 29 8.620 8.869 -0.249 1 1 368 . 9 1 1 A 29 29 GLU HA H 29 4.250 4.458 -0.208 1 1 373 . 9 1 1 A 29 29 GLU C C 29 175.700 175.569 0.131 1 1 374 . 9 1 1 A 29 29 GLU CA C 29 56.800 56.292 0.508 1 1 375 . 9 1 1 A 29 29 GLU CB C 29 30.000 30.300 -0.300 1 1 377 . 9 1 1 A 29 29 GLU N N 29 120.700 123.173 -2.473 1 1 378 . 9 1 1 A 30 30 ASN H H 30 8.720 8.155 0.565 1 1 379 . 9 1 1 A 30 30 ASN HA H 30 4.870 4.991 -0.121 1 1 384 . 9 1 1 A 30 30 ASN C C 30 174.800 176.274 -1.474 1 1 385 . 9 1 1 A 30 30 ASN CA C 30 53.800 52.512 1.288 1 1 386 . 9 1 1 A 30 30 ASN CB C 30 41.200 40.312 0.888 1 1 387 . 9 1 1 A 30 30 ASN N N 30 121.400 122.427 -1.027 1 1 389 . 9 1 1 A 31 31 THR H H 31 8.300 8.595 -0.295 1 1 390 . 9 1 1 A 31 31 THR HA H 31 4.430 4.457 -0.027 1 1 395 . 9 1 1 A 31 31 THR C C 31 174.200 174.920 -0.720 1 1 396 . 9 1 1 A 31 31 THR CA C 31 61.000 62.143 -1.143 1 1 397 . 9 1 1 A 31 31 THR CB C 31 69.600 69.535 0.065 1 1 399 . 9 1 1 A 31 31 THR N N 31 114.200 116.485 -2.285 1 1 400 . 9 1 1 A 32 32 HIS H H 32 7.840 7.661 0.179 1 1 401 . 9 1 1 A 32 32 HIS HA H 32 4.560 4.559 0.001 1 1 405 . 9 1 1 A 32 32 HIS C C 32 177.300 174.632 2.668 1 1 406 . 9 1 1 A 32 32 HIS CA C 32 57.600 55.781 1.819 1 1 407 . 9 1 1 A 32 32 HIS CB C 32 32.000 30.441 1.559 1 1 409 . 9 1 1 A 32 32 HIS N N 32 122.500 123.165 -0.665 1 1 410 . 9 1 1 A 33 33 GLU H H 33 9.020 8.407 0.613 1 1 411 . 9 1 1 A 33 33 GLU HA H 33 4.120 3.753 0.367 1 1 416 . 9 1 1 A 33 33 GLU C C 33 177.100 176.755 0.345 1 1 417 . 9 1 1 A 33 33 GLU CA C 33 59.000 57.278 1.722 1 1 418 . 9 1 1 A 33 33 GLU CB C 33 29.400 29.931 -0.531 1 1 420 . 9 1 1 A 33 33 GLU N N 33 127.300 126.526 0.774 1 1 421 . 9 1 1 A 34 34 SER H H 34 9.430 8.711 0.719 1 1 422 . 9 1 1 A 34 34 SER HA H 34 4.580 4.274 0.306 1 1 425 . 9 1 1 A 34 34 SER C C 34 174.800 173.522 1.278 1 1 426 . 9 1 1 A 34 34 SER CA C 34 59.500 61.206 -1.706 1 1 427 . 9 1 1 A 34 34 SER CB C 34 63.600 61.155 2.445 1 1 428 . 9 1 1 A 34 34 SER N N 34 113.400 114.890 -1.490 1 1 429 . 9 1 1 A 35 35 ILE H H 35 7.920 8.259 -0.339 1 1 430 . 9 1 1 A 35 35 ILE HA H 35 4.080 4.116 -0.036 1 1 440 . 9 1 1 A 35 35 ILE C C 35 174.300 175.611 -1.311 1 1 441 . 9 1 1 A 35 35 ILE CA C 35 61.600 60.562 1.038 1 1 442 . 9 1 1 A 35 35 ILE CB C 35 40.700 38.405 2.295 1 1 446 . 9 1 1 A 35 35 ILE N N 35 125.800 121.850 3.950 1 1 447 . 9 1 1 A 36 36 SER H H 36 9.010 8.872 0.138 1 1 448 . 9 1 1 A 36 36 SER HA H 36 4.480 4.492 -0.012 1 1 451 . 9 1 1 A 36 36 SER C C 36 174.900 174.722 0.178 1 1 452 . 9 1 1 A 36 36 SER CA C 36 58.800 59.414 -0.614 1 1 453 . 9 1 1 A 36 36 SER CB C 36 64.300 63.315 0.985 1 1 454 . 9 1 1 A 36 36 SER N N 36 119.100 120.751 -1.651 1 1 455 . 9 1 1 A 37 37 GLN H H 37 7.390 7.043 0.347 1 1 456 . 9 1 1 A 37 37 GLN HA H 37 4.690 4.685 0.005 1 1 463 . 9 1 1 A 37 37 GLN C C 37 171.800 173.098 -1.298 1 1 464 . 9 1 1 A 37 37 GLN CA C 37 54.900 54.716 0.184 1 1 465 . 9 1 1 A 37 37 GLN CB C 37 36.200 31.480 4.720 1 1 466 . 9 1 1 A 37 37 GLN N N 37 116.500 117.508 -1.008 1 1 468 . 9 1 1 A 38 38 VAL H H 38 8.640 8.535 0.105 1 1 469 . 9 1 1 A 38 38 VAL HA H 38 4.160 4.545 -0.385 1 1 477 . 9 1 1 A 38 38 VAL C C 38 172.400 174.409 -2.009 1 1 478 . 9 1 1 A 38 38 VAL CA C 38 58.500 59.131 -0.631 1 1 479 . 9 1 1 A 38 38 VAL CB C 38 35.300 35.395 -0.095 1 1 482 . 9 1 1 A 38 38 VAL N N 38 120.400 115.300 5.100 1 1 483 . 9 1 1 A 39 39 GLY H H 39 6.440 7.375 -0.935 1 1 484 . 9 1 1 A 39 39 GLY HA2 H 39 3.690 4.372 -0.682 1 1 485 . 9 1 1 A 39 39 GLY HA3 H 39 1.940 4.377 -2.437 1 1 486 . 9 1 1 A 39 39 GLY C C 39 170.600 171.749 -1.149 1 1 487 . 9 1 1 A 39 39 GLY CA C 39 45.300 46.142 -0.842 1 1 488 . 9 1 1 A 39 39 GLY N N 39 109.600 108.661 0.939 1 1 489 . 9 1 1 A 40 40 LEU H H 40 8.380 8.513 -0.133 1 1 490 . 9 1 1 A 40 40 LEU HA H 40 4.980 5.388 -0.408 1 1 499 . 9 1 1 A 40 40 LEU C C 40 176.000 175.787 0.213 1 1 500 . 9 1 1 A 40 40 LEU CA C 40 53.200 53.463 -0.263 1 1 501 . 9 1 1 A 40 40 LEU CB C 40 47.400 45.617 1.783 1 1 504 . 9 1 1 A 40 40 LEU N N 40 119.500 121.730 -2.230 1 1 505 . 9 1 1 A 41 41 LEU H H 41 9.410 9.319 0.091 1 1 506 . 9 1 1 A 41 41 LEU HA H 41 5.320 5.082 0.238 1 1 516 . 9 1 1 A 41 41 LEU C C 41 176.700 175.680 1.020 1 1 517 . 9 1 1 A 41 41 LEU CA C 41 52.400 53.038 -0.638 1 1 518 . 9 1 1 A 41 41 LEU CB C 41 44.900 43.452 1.448 1 1 522 . 9 1 1 A 41 41 LEU N N 41 122.700 122.465 0.235 1 1 523 . 9 1 1 A 42 42 GLY H H 42 9.210 9.840 -0.630 1 1 524 . 9 1 1 A 42 42 GLY HA2 H 42 3.550 4.083 -0.533 1 1 525 . 9 1 1 A 42 42 GLY HA3 H 42 5.350 4.088 1.262 1 1 526 . 9 1 1 A 42 42 GLY C C 42 171.200 172.648 -1.448 1 1 527 . 9 1 1 A 42 42 GLY CA C 42 45.700 45.415 0.285 1 1 528 . 9 1 1 A 42 42 GLY N N 42 104.600 112.475 -7.875 1 1 529 . 9 1 1 A 43 43 ASP H H 43 8.960 8.601 0.359 1 1 530 . 9 1 1 A 43 43 ASP HA H 43 4.640 4.962 -0.322 1 1 533 . 9 1 1 A 43 43 ASP C C 43 175.600 177.410 -1.810 1 1 534 . 9 1 1 A 43 43 ASP CA C 43 52.700 53.118 -0.418 1 1 535 . 9 1 1 A 43 43 ASP CB C 43 41.600 43.591 -1.991 1 1 536 . 9 1 1 A 43 43 ASP N N 43 121.900 126.879 -4.979 1 1 537 . 9 1 1 A 44 44 GLU H H 44 10.150 9.049 1.101 1 1 538 . 9 1 1 A 44 44 GLU HA H 44 4.380 4.027 0.353 1 1 543 . 9 1 1 A 44 44 GLU C C 44 176.900 177.738 -0.838 1 1 544 . 9 1 1 A 44 44 GLU CA C 44 59.300 58.728 0.572 1 1 545 . 9 1 1 A 44 44 GLU CB C 44 28.100 29.650 -1.550 1 1 547 . 9 1 1 A 44 44 GLU N N 44 118.000 122.482 -4.482 1 1 548 . 9 1 1 A 45 45 THR H H 45 9.600 7.733 1.867 1 1 549 . 9 1 1 A 45 45 THR HA H 45 4.580 4.454 0.126 1 1 554 . 9 1 1 A 45 45 THR C C 45 174.800 173.854 0.946 1 1 555 . 9 1 1 A 45 45 THR CA C 45 61.700 62.418 -0.718 1 1 556 . 9 1 1 A 45 45 THR CB C 45 70.000 69.407 0.593 1 1 558 . 9 1 1 A 45 45 THR N N 45 112.000 109.437 2.563 1 1 559 . 9 1 1 A 46 46 GLY H H 46 7.640 7.287 0.353 1 1 560 . 9 1 1 A 46 46 GLY HA2 H 46 3.830 4.132 -0.302 1 1 561 . 9 1 1 A 46 46 GLY HA3 H 46 4.000 4.135 -0.135 1 1 562 . 9 1 1 A 46 46 GLY C C 46 169.400 171.707 -2.307 1 1 563 . 9 1 1 A 46 46 GLY CA C 46 46.000 45.169 0.831 1 1 564 . 9 1 1 A 46 46 GLY N N 46 110.600 107.825 2.775 1 1 565 . 9 1 1 A 47 47 ILE H H 47 8.000 8.249 -0.249 1 1 566 . 9 1 1 A 47 47 ILE HA H 47 5.450 5.307 0.143 1 1 576 . 9 1 1 A 47 47 ILE C C 47 175.200 174.385 0.815 1 1 577 . 9 1 1 A 47 47 ILE CA C 47 59.100 59.475 -0.375 1 1 578 . 9 1 1 A 47 47 ILE CB C 47 42.400 42.104 0.296 1 1 582 . 9 1 1 A 47 47 ILE N N 47 113.900 121.380 -7.480 1 1 583 . 9 1 1 A 48 48 ILE H H 48 9.340 8.480 0.860 1 1 584 . 9 1 1 A 48 48 ILE HA H 48 4.640 4.917 -0.277 1 1 594 . 9 1 1 A 48 48 ILE C C 48 171.500 173.101 -1.601 1 1 595 . 9 1 1 A 48 48 ILE CA C 48 60.600 59.098 1.502 1 1 596 . 9 1 1 A 48 48 ILE CB C 48 42.000 41.893 0.107 1 1 600 . 9 1 1 A 48 48 ILE N N 48 123.600 123.920 -0.320 1 1 601 . 9 1 1 A 49 49 LYS H H 49 8.350 8.774 -0.424 1 1 602 . 9 1 1 A 49 49 LYS HA H 49 4.820 5.022 -0.202 1 1 611 . 9 1 1 A 49 49 LYS C C 49 174.700 175.883 -1.183 1 1 612 . 9 1 1 A 49 49 LYS CA C 49 56.400 55.500 0.900 1 1 613 . 9 1 1 A 49 49 LYS CB C 49 33.800 33.783 0.017 1 1 617 . 9 1 1 A 49 49 LYS N N 49 129.100 128.857 0.243 1 1 618 . 9 1 1 A 50 50 PHE H H 50 8.570 8.436 0.134 1 1 619 . 9 1 1 A 50 50 PHE HA H 50 5.820 5.534 0.286 1 1 627 . 9 1 1 A 50 50 PHE C C 50 172.100 172.322 -0.222 1 1 628 . 9 1 1 A 50 50 PHE CA C 50 54.800 56.261 -1.461 1 1 629 . 9 1 1 A 50 50 PHE CB C 50 43.900 42.579 1.321 1 1 635 . 9 1 1 A 50 50 PHE N N 50 122.700 120.410 2.290 1 1 636 . 9 1 1 A 51 51 THR H H 51 8.190 8.520 -0.330 1 1 637 . 9 1 1 A 51 51 THR HA H 51 4.320 4.733 -0.413 1 1 642 . 9 1 1 A 51 51 THR C C 51 172.900 172.625 0.275 1 1 643 . 9 1 1 A 51 51 THR CA C 51 61.700 59.553 2.147 1 1 644 . 9 1 1 A 51 51 THR CB C 51 72.500 70.894 1.606 1 1 646 . 9 1 1 A 51 51 THR N N 51 114.400 114.090 0.310 1 1 647 . 9 1 1 A 52 52 ILE H H 52 8.880 8.777 0.103 1 1 648 . 9 1 1 A 52 52 ILE HA H 52 4.650 4.658 -0.008 1 1 658 . 9 1 1 A 52 52 ILE C C 52 176.000 175.206 0.794 1 1 659 . 9 1 1 A 52 52 ILE CA C 52 60.500 60.340 0.160 1 1 660 . 9 1 1 A 52 52 ILE CB C 52 38.900 39.519 -0.619 1 1 664 . 9 1 1 A 52 52 ILE N N 52 123.400 127.377 -3.977 1 1 665 . 9 1 1 A 53 53 TRP H H 53 8.020 8.676 -0.656 1 1 666 . 9 1 1 A 53 53 TRP HA H 53 4.740 4.828 -0.088 1 1 675 . 9 1 1 A 53 53 TRP C C 53 177.500 177.490 0.010 1 1 676 . 9 1 1 A 53 53 TRP CA C 53 57.700 57.541 0.159 1 1 677 . 9 1 1 A 53 53 TRP CB C 53 30.400 30.320 0.080 1 1 683 . 9 1 1 A 53 53 TRP N N 53 129.500 128.569 0.931 1 1 685 . 9 1 1 A 54 54 LYS H H 54 8.980 8.836 0.144 1 1 686 . 9 1 1 A 54 54 LYS HA H 54 4.100 4.072 0.028 1 1 695 . 9 1 1 A 54 54 LYS C C 54 177.700 178.399 -0.699 1 1 696 . 9 1 1 A 54 54 LYS CA C 54 59.400 59.928 -0.528 1 1 697 . 9 1 1 A 54 54 LYS CB C 54 32.400 32.204 0.196 1 1 701 . 9 1 1 A 54 54 LYS N N 54 125.500 124.245 1.255 1 1 702 . 9 1 1 A 55 55 ASN H H 55 8.600 8.969 -0.369 1 1 703 . 9 1 1 A 55 55 ASN HA H 55 4.510 4.592 -0.082 1 1 708 . 9 1 1 A 55 55 ASN C C 55 175.300 176.547 -1.247 1 1 709 . 9 1 1 A 55 55 ASN CA C 55 53.700 54.737 -1.037 1 1 710 . 9 1 1 A 55 55 ASN CB C 55 37.100 36.973 0.127 1 1 711 . 9 1 1 A 55 55 ASN N N 55 115.400 115.928 -0.528 1 1 713 . 9 1 1 A 56 56 ALA H H 56 7.630 7.881 -0.251 1 1 714 . 9 1 1 A 56 56 ALA HA H 56 3.970 4.355 -0.385 1 1 718 . 9 1 1 A 56 56 ALA C C 56 176.100 177.025 -0.925 1 1 719 . 9 1 1 A 56 56 ALA CA C 56 53.500 53.021 0.479 1 1 720 . 9 1 1 A 56 56 ALA CB C 56 18.400 19.686 -1.286 1 1 721 . 9 1 1 A 56 56 ALA N N 56 121.200 122.488 -1.288 1 1 722 . 9 1 1 A 57 57 GLU H H 57 7.880 8.268 -0.388 1 1 723 . 9 1 1 A 57 57 GLU HA H 57 3.940 3.886 0.054 1 1 728 . 9 1 1 A 57 57 GLU C C 57 175.400 175.081 0.319 1 1 729 . 9 1 1 A 57 57 GLU CA C 57 56.700 57.436 -0.736 1 1 730 . 9 1 1 A 57 57 GLU CB C 57 27.300 27.279 0.021 1 1 732 . 9 1 1 A 57 57 GLU N N 57 112.500 114.857 -2.357 1 1 733 . 9 1 1 A 58 58 LEU H H 58 7.910 7.831 0.079 1 1 734 . 9 1 1 A 58 58 LEU HA H 58 4.740 4.706 0.034 1 1 744 . 9 1 1 A 58 58 LEU C C 58 175.400 174.343 1.057 1 1 745 . 9 1 1 A 58 58 LEU CA C 58 52.300 52.552 -0.252 1 1 746 . 9 1 1 A 58 58 LEU CB C 58 42.900 41.980 0.920 1 1 750 . 9 1 1 A 58 58 LEU N N 58 120.000 120.073 -0.073 1 1 751 . 9 1 1 A 59 59 PRO HA H 59 4.380 4.472 -0.092 1 1 758 . 9 1 1 A 59 59 PRO CA C 59 62.200 62.983 -0.783 1 1 759 . 9 1 1 A 59 59 PRO CB C 59 32.000 31.839 0.161 1 1 762 . 9 1 1 A 60 60 LEU H H 60 7.860 8.245 -0.385 1 1 763 . 9 1 1 A 60 60 LEU HA H 60 3.920 4.444 -0.524 1 1 773 . 9 1 1 A 60 60 LEU C C 60 178.300 177.120 1.180 1 1 774 . 9 1 1 A 60 60 LEU CA C 60 55.000 54.766 0.234 1 1 775 . 9 1 1 A 60 60 LEU CB C 60 41.800 42.612 -0.812 1 1 779 . 9 1 1 A 60 60 LEU N N 60 117.500 123.784 -6.284 1 1 780 . 9 1 1 A 61 61 LEU H H 61 9.680 8.358 1.322 1 1 781 . 9 1 1 A 61 61 LEU HA H 61 4.040 3.952 0.088 1 1 791 . 9 1 1 A 61 61 LEU C C 61 177.300 176.493 0.807 1 1 792 . 9 1 1 A 61 61 LEU CA C 61 54.100 54.262 -0.162 1 1 793 . 9 1 1 A 61 61 LEU CB C 61 41.300 42.071 -0.771 1 1 797 . 9 1 1 A 61 61 LEU N N 61 122.300 124.327 -2.027 1 1 798 . 9 1 1 A 62 62 GLU H H 62 8.390 9.290 -0.900 1 1 799 . 9 1 1 A 62 62 GLU HA H 62 4.430 4.919 -0.489 1 1 804 . 9 1 1 A 62 62 GLU C C 62 175.600 176.750 -1.150 1 1 805 . 9 1 1 A 62 62 GLU CA C 62 54.800 55.074 -0.274 1 1 806 . 9 1 1 A 62 62 GLU CB C 62 32.200 31.691 0.509 1 1 808 . 9 1 1 A 62 62 GLU N N 62 120.500 123.524 -3.024 1 1 809 . 9 1 1 A 63 63 GLN H H 63 8.780 8.740 0.040 1 1 810 . 9 1 1 A 63 63 GLN HA H 63 3.700 3.996 -0.296 1 1 817 . 9 1 1 A 63 63 GLN C C 63 176.600 176.795 -0.195 1 1 818 . 9 1 1 A 63 63 GLN CA C 63 58.100 57.741 0.359 1 1 819 . 9 1 1 A 63 63 GLN CB C 63 28.300 28.369 -0.069 1 1 821 . 9 1 1 A 63 63 GLN N N 63 123.300 125.629 -2.329 1 1 823 . 9 1 1 A 64 64 GLY H H 64 9.140 8.788 0.352 1 1 824 . 9 1 1 A 64 64 GLY HA2 H 64 3.580 3.995 -0.415 1 1 825 . 9 1 1 A 64 64 GLY HA3 H 64 4.390 3.999 0.391 1 1 826 . 9 1 1 A 64 64 GLY C C 64 173.900 174.432 -0.532 1 1 827 . 9 1 1 A 64 64 GLY CA C 64 45.300 44.950 0.350 1 1 828 . 9 1 1 A 64 64 GLY N N 64 115.100 114.898 0.202 1 1 829 . 9 1 1 A 65 65 GLU H H 65 7.590 7.616 -0.026 1 1 830 . 9 1 1 A 65 65 GLU HA H 65 4.490 4.586 -0.096 1 1 835 . 9 1 1 A 65 65 GLU C C 65 174.200 175.994 -1.794 1 1 836 . 9 1 1 A 65 65 GLU CA C 65 54.900 54.794 0.106 1 1 837 . 9 1 1 A 65 65 GLU CB C 65 30.500 31.141 -0.641 1 1 839 . 9 1 1 A 65 65 GLU N N 65 120.300 120.564 -0.264 1 1 840 . 9 1 1 A 66 66 SER H H 66 8.700 8.432 0.268 1 1 841 . 9 1 1 A 66 66 SER HA H 66 5.330 4.838 0.492 1 1 844 . 9 1 1 A 66 66 SER C C 66 174.100 172.791 1.309 1 1 845 . 9 1 1 A 66 66 SER CA C 66 58.300 57.788 0.512 1 1 846 . 9 1 1 A 66 66 SER CB C 66 65.500 64.591 0.909 1 1 847 . 9 1 1 A 66 66 SER N N 66 116.500 118.479 -1.979 1 1 848 . 9 1 1 A 67 67 TYR H H 67 9.090 8.716 0.374 1 1 849 . 9 1 1 A 67 67 TYR HA H 67 5.110 5.002 0.108 1 1 856 . 9 1 1 A 67 67 TYR C C 67 173.900 174.407 -0.507 1 1 857 . 9 1 1 A 67 67 TYR CA C 67 57.500 56.332 1.168 1 1 858 . 9 1 1 A 67 67 TYR CB C 67 43.900 42.796 1.104 1 1 863 . 9 1 1 A 67 67 TYR N N 67 119.000 121.730 -2.730 1 1 864 . 9 1 1 A 68 68 LEU H H 68 9.230 9.013 0.217 1 1 865 . 9 1 1 A 68 68 LEU HA H 68 5.000 5.112 -0.112 1 1 875 . 9 1 1 A 68 68 LEU C C 68 175.300 174.461 0.839 1 1 876 . 9 1 1 A 68 68 LEU CA C 68 54.300 53.923 0.377 1 1 877 . 9 1 1 A 68 68 LEU CB C 68 43.800 45.008 -1.208 1 1 881 . 9 1 1 A 68 68 LEU N N 68 121.800 124.383 -2.583 1 1 882 . 9 1 1 A 69 69 LEU H H 69 9.460 8.932 0.528 1 1 883 . 9 1 1 A 69 69 LEU HA H 69 5.010 4.946 0.064 1 1 893 . 9 1 1 A 69 69 LEU C C 69 175.000 175.557 -0.557 1 1 894 . 9 1 1 A 69 69 LEU CA C 69 54.100 53.925 0.175 1 1 895 . 9 1 1 A 69 69 LEU CB C 69 42.300 42.536 -0.236 1 1 899 . 9 1 1 A 69 69 LEU N N 69 128.500 128.433 0.067 1 1 900 . 9 1 1 A 70 70 ARG H H 70 8.910 8.472 0.438 1 1 901 . 9 1 1 A 70 70 ARG HA H 70 4.850 5.015 -0.165 1 1 909 . 9 1 1 A 70 70 ARG C C 70 176.400 176.807 -0.407 1 1 910 . 9 1 1 A 70 70 ARG CA C 70 54.900 54.834 0.066 1 1 911 . 9 1 1 A 70 70 ARG CB C 70 32.300 32.218 0.082 1 1 914 . 9 1 1 A 70 70 ARG N N 70 121.500 124.738 -3.238 1 1 916 . 9 1 1 A 71 71 SER H H 71 8.800 9.058 -0.258 1 1 917 . 9 1 1 A 71 71 SER HA H 71 3.870 4.196 -0.326 1 1 920 . 9 1 1 A 71 71 SER C C 71 175.800 173.453 2.347 1 1 921 . 9 1 1 A 71 71 SER CA C 71 58.600 59.155 -0.555 1 1 922 . 9 1 1 A 71 71 SER CB C 71 62.000 61.724 0.276 1 1 923 . 9 1 1 A 71 71 SER N N 71 114.400 117.743 -3.343 1 1 924 . 9 1 1 A 72 72 VAL H H 72 8.750 7.556 1.194 1 1 925 . 9 1 1 A 72 72 VAL HA H 72 4.610 5.072 -0.462 1 1 933 . 9 1 1 A 72 72 VAL C C 72 173.300 173.967 -0.667 1 1 934 . 9 1 1 A 72 72 VAL CA C 72 59.300 59.477 -0.177 1 1 935 . 9 1 1 A 72 72 VAL CB C 72 31.900 34.737 -2.837 1 1 938 . 9 1 1 A 72 72 VAL N N 72 115.500 115.419 0.081 1 1 939 . 9 1 1 A 73 73 VAL H H 73 7.940 8.392 -0.452 1 1 940 . 9 1 1 A 73 73 VAL HA H 73 4.760 4.791 -0.031 1 1 948 . 9 1 1 A 73 73 VAL C C 73 174.300 173.519 0.781 1 1 949 . 9 1 1 A 73 73 VAL CA C 73 58.800 59.300 -0.500 1 1 950 . 9 1 1 A 73 73 VAL CB C 73 34.500 34.527 -0.027 1 1 953 . 9 1 1 A 73 73 VAL N N 73 118.200 121.537 -3.337 1 1 954 . 9 1 1 A 74 74 VAL H H 74 8.430 8.154 0.276 1 1 955 . 9 1 1 A 74 74 VAL HA H 74 4.560 4.688 -0.128 1 1 963 . 9 1 1 A 74 74 VAL C C 74 177.300 175.563 1.737 1 1 964 . 9 1 1 A 74 74 VAL CA C 74 62.100 60.819 1.281 1 1 965 . 9 1 1 A 74 74 VAL CB C 74 32.700 33.032 -0.332 1 1 968 . 9 1 1 A 74 74 VAL N N 74 127.800 127.431 0.369 1 1 969 . 9 1 1 A 75 75 GLY H H 75 9.040 9.457 -0.417 1 1 970 . 9 1 1 A 75 75 GLY HA2 H 75 3.750 4.317 -0.567 1 1 971 . 9 1 1 A 75 75 GLY HA3 H 75 5.120 4.341 0.779 1 1 972 . 9 1 1 A 75 75 GLY C C 75 172.500 173.121 -0.621 1 1 973 . 9 1 1 A 75 75 GLY CA C 75 43.700 43.929 -0.229 1 1 974 . 9 1 1 A 75 75 GLY N N 75 116.000 115.529 0.471 1 1 975 . 9 1 1 A 76 76 GLU H H 76 8.380 8.742 -0.362 1 1 976 . 9 1 1 A 76 76 GLU HA H 76 4.690 4.873 -0.183 1 1 981 . 9 1 1 A 76 76 GLU C C 76 176.000 174.382 1.618 1 1 982 . 9 1 1 A 76 76 GLU CA C 76 56.100 55.558 0.542 1 1 983 . 9 1 1 A 76 76 GLU CB C 76 32.000 29.873 2.127 1 1 985 . 9 1 1 A 76 76 GLU N N 76 120.200 118.429 1.771 1 1 986 . 9 1 1 A 77 77 TYR H H 77 8.430 8.485 -0.055 1 1 987 . 9 1 1 A 77 77 TYR HA H 77 4.570 4.906 -0.336 1 1 994 . 9 1 1 A 77 77 TYR C C 77 174.200 175.433 -1.233 1 1 995 . 9 1 1 A 77 77 TYR CA C 77 56.500 57.251 -0.751 1 1 996 . 9 1 1 A 77 77 TYR CB C 77 39.800 40.493 -0.693 1 1 1001 . 9 1 1 A 77 77 TYR N N 77 124.400 127.221 -2.821 1 1 1002 . 9 1 1 A 78 78 ASN H H 78 9.100 8.783 0.317 1 1 1003 . 9 1 1 A 78 78 ASN HA H 78 4.000 4.373 -0.373 1 1 1008 . 9 1 1 A 78 78 ASN C C 78 177.300 175.031 2.269 1 1 1009 . 9 1 1 A 78 78 ASN CA C 78 54.700 54.549 0.151 1 1 1010 . 9 1 1 A 78 78 ASN CB C 78 36.600 37.275 -0.675 1 1 1011 . 9 1 1 A 78 78 ASN N N 78 125.800 127.019 -1.219 1 1 1013 . 9 1 1 A 79 79 ASP H H 79 8.640 8.642 -0.002 1 1 1014 . 9 1 1 A 79 79 ASP HA H 79 4.240 4.461 -0.221 1 1 1017 . 9 1 1 A 79 79 ASP C C 79 174.600 175.558 -0.958 1 1 1018 . 9 1 1 A 79 79 ASP CA C 79 54.900 54.635 0.265 1 1 1019 . 9 1 1 A 79 79 ASP CB C 79 39.700 41.631 -1.931 1 1 1020 . 9 1 1 A 79 79 ASP N N 79 115.700 125.726 -10.026 1 1 1021 . 9 1 1 A 80 80 ARG H H 80 7.880 7.202 0.678 1 1 1022 . 9 1 1 A 80 80 ARG HA H 80 4.370 4.815 -0.445 1 1 1030 . 9 1 1 A 80 80 ARG C C 80 175.000 174.724 0.276 1 1 1031 . 9 1 1 A 80 80 ARG CA C 80 54.200 54.278 -0.078 1 1 1032 . 9 1 1 A 80 80 ARG CB C 80 31.800 33.756 -1.956 1 1 1035 . 9 1 1 A 80 80 ARG N N 80 119.700 119.723 -0.023 1 1 1037 . 9 1 1 A 81 81 PHE H H 81 8.410 8.784 -0.374 1 1 1038 . 9 1 1 A 81 81 PHE HA H 81 5.420 4.865 0.555 1 1 1046 . 9 1 1 A 81 81 PHE C C 81 174.400 175.584 -1.184 1 1 1047 . 9 1 1 A 81 81 PHE CA C 81 57.200 58.087 -0.887 1 1 1048 . 9 1 1 A 81 81 PHE CB C 81 42.000 40.659 1.341 1 1 1054 . 9 1 1 A 81 81 PHE N N 81 120.700 124.833 -4.133 1 1 1055 . 9 1 1 A 82 82 GLN H H 82 8.950 9.171 -0.221 1 1 1056 . 9 1 1 A 82 82 GLN HA H 82 5.110 5.067 0.043 1 1 1063 . 9 1 1 A 82 82 GLN C C 82 172.400 174.254 -1.854 1 1 1064 . 9 1 1 A 82 82 GLN CA C 82 53.500 54.300 -0.800 1 1 1065 . 9 1 1 A 82 82 GLN CB C 82 31.900 33.331 -1.431 1 1 1067 . 9 1 1 A 82 82 GLN N N 82 115.000 119.222 -4.222 1 1 1069 . 9 1 1 A 83 83 VAL H H 83 9.090 8.376 0.714 1 1 1070 . 9 1 1 A 83 83 VAL HA H 83 4.380 4.842 -0.462 1 1 1078 . 9 1 1 A 83 83 VAL C C 83 174.600 174.771 -0.171 1 1 1079 . 9 1 1 A 83 83 VAL CA C 83 61.600 60.565 1.035 1 1 1080 . 9 1 1 A 83 83 VAL CB C 83 33.500 33.756 -0.256 1 1 1083 . 9 1 1 A 83 83 VAL N N 83 118.900 117.401 1.499 1 1 1084 . 9 1 1 A 84 84 GLN H H 84 9.280 8.862 0.418 1 1 1085 . 9 1 1 A 84 84 GLN HA H 84 5.020 4.854 0.166 1 1 1092 . 9 1 1 A 84 84 GLN C C 84 174.500 174.723 -0.223 1 1 1093 . 9 1 1 A 84 84 GLN CA C 84 54.400 55.123 -0.723 1 1 1094 . 9 1 1 A 84 84 GLN CB C 84 29.900 30.204 -0.304 1 1 1096 . 9 1 1 A 84 84 GLN N N 84 124.800 126.070 -1.270 1 1 1098 . 9 1 1 A 85 85 VAL H H 85 8.680 8.790 -0.110 1 1 1099 . 9 1 1 A 85 85 VAL HA H 85 4.300 4.954 -0.654 1 1 1107 . 9 1 1 A 85 85 VAL C C 85 174.500 175.543 -1.043 1 1 1108 . 9 1 1 A 85 85 VAL CA C 85 61.700 61.404 0.296 1 1 1109 . 9 1 1 A 85 85 VAL CB C 85 31.700 33.180 -1.480 1 1 1112 . 9 1 1 A 85 85 VAL N N 85 125.500 125.560 -0.060 1 1 1113 . 9 1 1 A 86 86 ASN H H 86 8.740 8.671 0.069 1 1 1114 . 9 1 1 A 86 86 ASN HA H 86 5.240 5.284 -0.044 1 1 1119 . 9 1 1 A 86 86 ASN C C 86 175.300 175.919 -0.619 1 1 1120 . 9 1 1 A 86 86 ASN CA C 86 51.800 51.521 0.279 1 1 1121 . 9 1 1 A 86 86 ASN CB C 86 42.400 41.554 0.846 1 1 1122 . 9 1 1 A 86 86 ASN N N 86 124.000 126.008 -2.008 1 1 1124 . 9 1 1 A 87 87 LYS H H 87 8.530 8.734 -0.204 1 1 1125 . 9 1 1 A 87 87 LYS HA H 87 4.210 4.002 0.208 1 1 1134 . 9 1 1 A 87 87 LYS C C 87 176.700 178.348 -1.648 1 1 1135 . 9 1 1 A 87 87 LYS CA C 87 59.000 59.712 -0.712 1 1 1136 . 9 1 1 A 87 87 LYS CB C 87 32.400 32.120 0.280 1 1 1140 . 9 1 1 A 87 87 LYS N N 87 117.600 122.945 -5.345 1 1 1141 . 9 1 1 A 88 88 ASN H H 88 8.600 8.400 0.200 1 1 1142 . 9 1 1 A 88 88 ASN HA H 88 4.810 4.665 0.145 1 1 1147 . 9 1 1 A 88 88 ASN C C 88 175.600 175.427 0.173 1 1 1148 . 9 1 1 A 88 88 ASN CA C 88 54.100 54.546 -0.446 1 1 1149 . 9 1 1 A 88 88 ASN CB C 88 39.100 37.528 1.572 1 1 1150 . 9 1 1 A 88 88 ASN N N 88 115.500 115.446 0.054 1 1 1152 . 9 1 1 A 89 89 SER H H 89 8.150 7.502 0.648 1 1 1153 . 9 1 1 A 89 89 SER HA H 89 5.120 4.761 0.359 1 1 1156 . 9 1 1 A 89 89 SER C C 89 172.400 173.743 -1.343 1 1 1157 . 9 1 1 A 89 89 SER CA C 89 58.100 57.821 0.279 1 1 1158 . 9 1 1 A 89 89 SER CB C 89 64.000 64.447 -0.447 1 1 1159 . 9 1 1 A 89 89 SER N N 89 117.500 116.867 0.633 1 1 1160 . 9 1 1 A 90 90 SER H H 90 8.200 8.427 -0.227 1 1 1161 . 9 1 1 A 90 90 SER HA H 90 4.680 5.420 -0.740 1 1 1164 . 9 1 1 A 90 90 SER C C 90 172.400 173.322 -0.922 1 1 1165 . 9 1 1 A 90 90 SER CA C 90 57.700 57.247 0.453 1 1 1166 . 9 1 1 A 90 90 SER CB C 90 65.700 66.512 -0.812 1 1 1167 . 9 1 1 A 90 90 SER N N 90 113.200 119.038 -5.838 1 1 1168 . 9 1 1 A 91 91 ILE H H 91 8.640 8.896 -0.256 1 1 1169 . 9 1 1 A 91 91 ILE HA H 91 5.030 5.142 -0.112 1 1 1179 . 9 1 1 A 91 91 ILE C C 91 175.300 174.507 0.793 1 1 1180 . 9 1 1 A 91 91 ILE CA C 91 60.200 60.385 -0.185 1 1 1181 . 9 1 1 A 91 91 ILE CB C 91 42.200 41.488 0.712 1 1 1185 . 9 1 1 A 91 91 ILE N N 91 119.700 122.317 -2.617 1 1 1186 . 9 1 1 A 92 92 GLU H H 92 8.810 8.740 0.070 1 1 1187 . 9 1 1 A 92 92 GLU HA H 92 4.710 4.991 -0.281 1 1 1192 . 9 1 1 A 92 92 GLU C C 92 174.700 175.026 -0.326 1 1 1193 . 9 1 1 A 92 92 GLU CA C 92 54.600 54.511 0.089 1 1 1194 . 9 1 1 A 92 92 GLU CB C 92 33.300 33.107 0.193 1 1 1196 . 9 1 1 A 92 92 GLU N N 92 125.900 126.402 -0.502 1 1 1197 . 9 1 1 A 93 93 LYS H H 93 9.080 8.548 0.532 1 1 1198 . 9 1 1 A 93 93 LYS HA H 93 4.100 4.477 -0.377 1 1 1207 . 9 1 1 A 93 93 LYS C C 93 176.400 175.719 0.681 1 1 1208 . 9 1 1 A 93 93 LYS CA C 93 57.500 56.309 1.191 1 1 1209 . 9 1 1 A 93 93 LYS CB C 93 32.900 33.369 -0.469 1 1 1213 . 9 1 1 A 93 93 LYS N N 93 127.600 125.579 2.021 1 1 1214 . 9 1 1 A 94 94 LEU H H 94 8.410 8.459 -0.049 1 1 1215 . 9 1 1 A 94 94 LEU HA H 94 4.480 4.855 -0.375 1 1 1224 . 9 1 1 A 94 94 LEU C C 94 177.300 177.065 0.235 1 1 1225 . 9 1 1 A 94 94 LEU CA C 94 53.900 53.120 0.780 1 1 1226 . 9 1 1 A 94 94 LEU CB C 94 42.900 43.532 -0.632 1 1 1230 . 9 1 1 A 94 94 LEU N N 94 127.300 126.690 0.610 1 1 1231 . 9 1 1 A 95 95 SER H H 95 8.630 8.753 -0.123 1 1 1232 . 9 1 1 A 95 95 SER HA H 95 4.350 4.493 -0.143 1 1 1235 . 9 1 1 A 95 95 SER C C 95 173.800 173.987 -0.187 1 1 1236 . 9 1 1 A 95 95 SER CA C 95 58.900 58.688 0.212 1 1 1237 . 9 1 1 A 95 95 SER CB C 95 63.400 63.515 -0.115 1 1 1238 . 9 1 1 A 95 95 SER N N 95 115.700 119.492 -3.792 1 1 1239 . 9 1 1 A 96 96 GLU H H 96 7.230 7.558 -0.328 1 1 1240 . 9 1 1 A 96 96 GLU HA H 96 4.750 4.550 0.200 1 1 1245 . 9 1 1 A 96 96 GLU CA C 96 53.000 52.640 0.360 1 1 1246 . 9 1 1 A 96 96 GLU CB C 96 30.700 30.553 0.147 1 1 1248 . 9 1 1 A 96 96 GLU N N 96 121.600 121.134 0.466 1 1 1249 . 9 1 1 A 97 97 PRO HA H 97 4.250 4.780 -0.530 1 1 1256 . 9 1 1 A 97 97 PRO CA C 97 62.400 62.268 0.132 1 1 1257 . 9 1 1 A 97 97 PRO CB C 97 32.600 32.569 0.031 1 1 1260 . 9 1 1 A 98 98 ILE H H 98 7.920 8.502 -0.582 1 1 1261 . 9 1 1 A 98 98 ILE HA H 98 4.070 4.776 -0.706 1 1 1271 . 9 1 1 A 98 98 ILE C C 98 175.400 174.734 0.666 1 1 1272 . 9 1 1 A 98 98 ILE CA C 98 59.300 59.564 -0.264 1 1 1273 . 9 1 1 A 98 98 ILE CB C 98 38.300 40.362 -2.062 1 1 1277 . 9 1 1 A 98 98 ILE N N 98 122.700 121.670 1.030 1 1 1278 . 9 1 1 A 99 99 GLU H H 99 8.550 8.770 -0.220 1 1 1279 . 9 1 1 A 99 99 GLU HA H 99 4.260 4.515 -0.255 1 1 1284 . 9 1 1 A 99 99 GLU C C 99 175.100 176.460 -1.360 1 1 1285 . 9 1 1 A 99 99 GLU CA C 99 55.500 55.922 -0.422 1 1 1286 . 9 1 1 A 99 99 GLU CB C 99 30.000 29.853 0.147 1 1 1288 . 9 1 1 A 99 99 GLU N N 99 127.900 127.365 0.535 1 1 1289 . 9 1 1 A 100 100 VAL H H 100 7.970 8.935 -0.965 1 1 1290 . 9 1 1 A 100 100 VAL HA H 100 3.980 4.387 -0.407 1 1 1298 . 9 1 1 A 100 100 VAL C C 100 176.700 175.880 0.820 1 1 1299 . 9 1 1 A 100 100 VAL CA C 100 61.000 62.217 -1.217 1 1 1300 . 9 1 1 A 100 100 VAL CB C 100 33.000 32.509 0.491 1 1 1303 . 9 1 1 A 100 100 VAL N N 100 121.100 127.255 -6.155 1 1 1304 . 9 1 1 A 101 101 GLY H H 101 8.520 7.761 0.759 1 1 1305 . 9 1 1 A 101 101 GLY HA2 H 101 3.830 4.011 -0.181 1 1 1306 . 9 1 1 A 101 101 GLY HA3 H 101 3.980 4.018 -0.038 1 1 1307 . 9 1 1 A 101 101 GLY C C 101 174.200 173.147 1.053 1 1 1308 . 9 1 1 A 101 101 GLY CA C 101 45.800 44.612 1.188 1 1 1309 . 9 1 1 A 101 101 GLY N N 101 114.000 109.357 4.643 1 1 1310 . 9 1 1 A 102 102 LEU H H 102 8.100 8.820 -0.720 1 1 1311 . 9 1 1 A 102 102 LEU HA H 102 4.170 4.561 -0.391 1 1 1320 . 9 1 1 A 102 102 LEU C C 102 177.700 176.218 1.482 1 1 1321 . 9 1 1 A 102 102 LEU CA C 102 55.500 53.860 1.640 1 1 1322 . 9 1 1 A 102 102 LEU CB C 102 42.600 41.745 0.855 1 1 1326 . 9 1 1 A 102 102 LEU N N 102 121.000 124.104 -3.104 1 1 1327 . 9 1 1 A 103 103 GLU H H 103 8.420 8.902 -0.482 1 1 1328 . 9 1 1 A 103 103 GLU HA H 103 4.090 4.345 -0.255 1 1 1333 . 9 1 1 A 103 103 GLU C C 103 176.400 176.421 -0.021 1 1 1334 . 9 1 1 A 103 103 GLU CA C 103 57.100 57.651 -0.551 1 1 1335 . 9 1 1 A 103 103 GLU CB C 103 29.900 30.012 -0.112 1 1 1337 . 9 1 1 A 103 103 GLU N N 103 120.000 125.337 -5.337 1 1 1338 . 9 1 1 A 104 104 HIS H H 104 8.180 7.299 0.881 1 1 1339 . 9 1 1 A 104 104 HIS HA H 104 4.580 5.228 -0.648 1 1 1342 . 9 1 1 A 104 104 HIS C C 104 173.800 172.535 1.265 1 1 1343 . 9 1 1 A 104 104 HIS CA C 104 55.700 54.446 1.254 1 1 1344 . 9 1 1 A 104 104 HIS CB C 104 30.000 32.666 -2.666 1 1 1345 . 9 1 1 A 104 104 HIS N N 104 119.000 116.210 2.790 1 1 1346 . 9 1 1 A 105 105 HIS H H 105 8.160 8.667 -0.507 1 1 1347 . 9 1 1 A 105 105 HIS HA H 105 4.380 5.441 -1.061 1 1 1350 . 9 1 1 A 105 105 HIS CA C 105 57.200 53.358 3.842 1 1 1351 . 9 1 1 A 105 105 HIS CB C 105 30.000 32.894 -2.894 1 1 1 . 10 1 1 A 3 3 PRO HA H 3 4.430 4.564 -0.134 1 1 8 . 10 1 1 A 3 3 PRO C C 3 175.600 176.522 -0.922 1 1 9 . 10 1 1 A 3 3 PRO CA C 3 62.510 62.602 -0.092 1 1 10 . 10 1 1 A 3 3 PRO CB C 3 32.000 32.349 -0.349 1 1 13 . 10 1 1 A 4 4 GLN H H 4 8.580 8.430 0.150 1 1 14 . 10 1 1 A 4 4 GLN HA H 4 4.260 4.427 -0.167 1 1 21 . 10 1 1 A 4 4 GLN C C 4 176.900 175.539 1.361 1 1 22 . 10 1 1 A 4 4 GLN CA C 4 55.700 55.654 0.046 1 1 23 . 10 1 1 A 4 4 GLN CB C 4 29.200 29.042 0.158 1 1 25 . 10 1 1 A 4 4 GLN N N 4 120.000 119.210 0.790 1 1 27 . 10 1 1 A 5 5 LEU H H 5 8.920 9.026 -0.106 1 1 28 . 10 1 1 A 5 5 LEU HA H 5 4.660 5.053 -0.393 1 1 38 . 10 1 1 A 5 5 LEU C C 5 176.900 176.310 0.590 1 1 39 . 10 1 1 A 5 5 LEU CA C 5 54.700 53.969 0.731 1 1 40 . 10 1 1 A 5 5 LEU CB C 5 43.000 43.700 -0.700 1 1 44 . 10 1 1 A 5 5 LEU N N 5 128.500 126.379 2.121 1 1 45 . 10 1 1 A 6 6 THR H H 6 8.750 8.910 -0.160 1 1 46 . 10 1 1 A 6 6 THR HA H 6 4.530 5.038 -0.508 1 1 51 . 10 1 1 A 6 6 THR C C 6 173.700 173.684 0.016 1 1 52 . 10 1 1 A 6 6 THR CA C 6 61.600 61.169 0.431 1 1 53 . 10 1 1 A 6 6 THR CB C 6 72.000 71.429 0.571 1 1 55 . 10 1 1 A 6 6 THR N N 6 121.000 121.108 -0.108 1 1 56 . 10 1 1 A 7 7 LYS H H 7 9.080 8.905 0.175 1 1 57 . 10 1 1 A 7 7 LYS HA H 7 4.430 4.510 -0.080 1 1 66 . 10 1 1 A 7 7 LYS C C 7 178.600 178.267 0.333 1 1 67 . 10 1 1 A 7 7 LYS CA C 7 54.300 54.689 -0.389 1 1 68 . 10 1 1 A 7 7 LYS CB C 7 32.300 33.990 -1.690 1 1 72 . 10 1 1 A 7 7 LYS N N 7 126.300 124.448 1.852 1 1 73 . 10 1 1 A 8 8 ILE H H 8 9.870 8.842 1.028 1 1 74 . 10 1 1 A 8 8 ILE HA H 8 3.240 3.789 -0.549 1 1 82 . 10 1 1 A 8 8 ILE C C 8 178.700 177.927 0.773 1 1 83 . 10 1 1 A 8 8 ILE CA C 8 66.800 65.335 1.465 1 1 84 . 10 1 1 A 8 8 ILE CB C 8 36.400 37.574 -1.174 1 1 87 . 10 1 1 A 8 8 ILE N N 8 124.700 122.492 2.208 1 1 88 . 10 1 1 A 9 9 VAL H H 9 8.340 8.024 0.316 1 1 89 . 10 1 1 A 9 9 VAL HA H 9 3.930 3.894 0.036 1 1 97 . 10 1 1 A 9 9 VAL C C 9 178.700 176.285 2.415 1 1 98 . 10 1 1 A 9 9 VAL CA C 9 63.300 64.257 -0.957 1 1 99 . 10 1 1 A 9 9 VAL CB C 9 31.700 31.523 0.177 1 1 102 . 10 1 1 A 9 9 VAL N N 9 119.500 120.487 -0.987 1 1 103 . 10 1 1 A 10 10 ASP H H 10 7.510 8.208 -0.698 1 1 104 . 10 1 1 A 10 10 ASP HA H 10 4.730 4.640 0.090 1 1 107 . 10 1 1 A 10 10 ASP C C 10 174.500 175.707 -1.207 1 1 108 . 10 1 1 A 10 10 ASP CA C 10 54.400 54.041 0.359 1 1 109 . 10 1 1 A 10 10 ASP CB C 10 41.100 41.714 -0.614 1 1 110 . 10 1 1 A 10 10 ASP N N 10 119.100 119.405 -0.305 1 1 111 . 10 1 1 A 11 11 ILE H H 11 7.460 7.597 -0.137 1 1 112 . 10 1 1 A 11 11 ILE HA H 11 3.800 4.152 -0.352 1 1 122 . 10 1 1 A 11 11 ILE C C 11 174.900 176.496 -1.596 1 1 123 . 10 1 1 A 11 11 ILE CA C 11 62.100 60.657 1.443 1 1 124 . 10 1 1 A 11 11 ILE CB C 11 35.300 38.131 -2.831 1 1 128 . 10 1 1 A 11 11 ILE N N 11 124.200 120.754 3.446 1 1 129 . 10 1 1 A 12 12 VAL H H 12 8.530 8.638 -0.108 1 1 130 . 10 1 1 A 12 12 VAL HA H 12 4.260 4.063 0.197 1 1 138 . 10 1 1 A 12 12 VAL C C 12 174.900 174.787 0.113 1 1 139 . 10 1 1 A 12 12 VAL CA C 12 60.600 61.054 -0.454 1 1 140 . 10 1 1 A 12 12 VAL CB C 12 35.400 33.734 1.666 1 1 143 . 10 1 1 A 12 12 VAL N N 12 118.400 119.181 -0.781 1 1 144 . 10 1 1 A 13 13 GLU H H 13 7.430 7.424 0.006 1 1 145 . 10 1 1 A 13 13 GLU HA H 13 4.590 4.951 -0.361 1 1 150 . 10 1 1 A 13 13 GLU C C 13 173.800 175.019 -1.219 1 1 151 . 10 1 1 A 13 13 GLU CA C 13 54.800 54.566 0.234 1 1 152 . 10 1 1 A 13 13 GLU CB C 13 33.160 32.595 0.565 1 1 154 . 10 1 1 A 13 13 GLU N N 13 120.100 123.132 -3.032 1 1 155 . 10 1 1 A 14 14 ASN H H 14 8.800 8.829 -0.029 1 1 156 . 10 1 1 A 14 14 ASN HA H 14 4.110 4.653 -0.543 1 1 161 . 10 1 1 A 14 14 ASN C C 14 176.600 176.519 0.081 1 1 162 . 10 1 1 A 14 14 ASN CA C 14 54.600 54.384 0.216 1 1 163 . 10 1 1 A 14 14 ASN CB C 14 38.900 39.016 -0.116 1 1 164 . 10 1 1 A 14 14 ASN N N 14 121.500 125.250 -3.750 1 1 166 . 10 1 1 A 15 15 GLY H H 15 8.620 9.154 -0.534 1 1 167 . 10 1 1 A 15 15 GLY HA2 H 15 3.460 3.710 -0.250 1 1 168 . 10 1 1 A 15 15 GLY HA3 H 15 4.110 3.802 0.308 1 1 169 . 10 1 1 A 15 15 GLY C C 15 173.100 173.370 -0.270 1 1 170 . 10 1 1 A 15 15 GLY CA C 15 45.300 45.723 -0.423 1 1 171 . 10 1 1 A 15 15 GLY N N 15 114.900 113.643 1.257 1 1 172 . 10 1 1 A 16 16 GLN H H 16 7.280 7.691 -0.411 1 1 173 . 10 1 1 A 16 16 GLN HA H 16 4.160 4.635 -0.475 1 1 180 . 10 1 1 A 16 16 GLN C C 16 174.400 174.798 -0.398 1 1 181 . 10 1 1 A 16 16 GLN CA C 16 56.300 54.525 1.775 1 1 182 . 10 1 1 A 16 16 GLN CB C 16 30.300 30.516 -0.216 1 1 184 . 10 1 1 A 16 16 GLN N N 16 121.500 120.059 1.441 1 1 186 . 10 1 1 A 17 17 TRP H H 17 8.640 8.910 -0.270 1 1 187 . 10 1 1 A 17 17 TRP HA H 17 5.400 5.482 -0.082 1 1 196 . 10 1 1 A 17 17 TRP C C 17 176.900 176.160 0.740 1 1 197 . 10 1 1 A 17 17 TRP CA C 17 56.400 56.335 0.065 1 1 198 . 10 1 1 A 17 17 TRP CB C 17 30.300 30.991 -0.691 1 1 204 . 10 1 1 A 17 17 TRP N N 17 125.500 126.258 -0.758 1 1 206 . 10 1 1 A 18 18 ALA H H 18 9.020 8.763 0.257 1 1 207 . 10 1 1 A 18 18 ALA HA H 18 4.650 4.874 -0.224 1 1 211 . 10 1 1 A 18 18 ALA C C 18 174.100 175.198 -1.098 1 1 212 . 10 1 1 A 18 18 ALA CA C 18 51.430 51.296 0.134 1 1 213 . 10 1 1 A 18 18 ALA CB C 18 22.600 23.155 -0.555 1 1 214 . 10 1 1 A 18 18 ALA N N 18 124.000 123.185 0.815 1 1 215 . 10 1 1 A 19 19 ASN H H 19 8.250 8.470 -0.220 1 1 216 . 10 1 1 A 19 19 ASN HA H 19 5.710 5.696 0.014 1 1 221 . 10 1 1 A 19 19 ASN C C 19 173.500 173.329 0.171 1 1 222 . 10 1 1 A 19 19 ASN CA C 19 51.600 51.937 -0.337 1 1 223 . 10 1 1 A 19 19 ASN CB C 19 40.100 42.509 -2.409 1 1 224 . 10 1 1 A 19 19 ASN N N 19 116.500 117.258 -0.758 1 1 226 . 10 1 1 A 20 20 LEU H H 20 9.280 8.775 0.505 1 1 227 . 10 1 1 A 20 20 LEU HA H 20 4.930 4.998 -0.068 1 1 236 . 10 1 1 A 20 20 LEU C C 20 174.800 175.402 -0.602 1 1 237 . 10 1 1 A 20 20 LEU CA C 20 54.200 53.676 0.524 1 1 238 . 10 1 1 A 20 20 LEU CB C 20 46.300 46.399 -0.099 1 1 241 . 10 1 1 A 20 20 LEU N N 20 121.800 124.651 -2.851 1 1 242 . 10 1 1 A 21 21 LYS H H 21 8.550 8.646 -0.096 1 1 243 . 10 1 1 A 21 21 LYS HA H 21 5.450 5.512 -0.062 1 1 252 . 10 1 1 A 21 21 LYS C C 21 174.800 174.893 -0.093 1 1 253 . 10 1 1 A 21 21 LYS CA C 21 55.350 54.860 0.490 1 1 254 . 10 1 1 A 21 21 LYS CB C 21 34.300 36.269 -1.969 1 1 258 . 10 1 1 A 21 21 LYS N N 21 122.500 122.862 -0.362 1 1 259 . 10 1 1 A 22 22 ALA H H 22 9.090 8.356 0.734 1 1 260 . 10 1 1 A 22 22 ALA HA H 22 4.830 4.783 0.047 1 1 264 . 10 1 1 A 22 22 ALA C C 22 173.800 175.821 -2.021 1 1 265 . 10 1 1 A 22 22 ALA CA C 22 51.300 51.334 -0.034 1 1 266 . 10 1 1 A 22 22 ALA CB C 22 24.700 22.784 1.916 1 1 267 . 10 1 1 A 22 22 ALA N N 22 123.200 126.354 -3.154 1 1 268 . 10 1 1 A 23 23 LYS H H 23 9.190 8.286 0.904 1 1 269 . 10 1 1 A 23 23 LYS HA H 23 5.080 5.161 -0.081 1 1 276 . 10 1 1 A 23 23 LYS C C 23 176.900 175.152 1.748 1 1 277 . 10 1 1 A 23 23 LYS CA C 23 54.100 54.533 -0.433 1 1 278 . 10 1 1 A 23 23 LYS CB C 23 35.800 36.098 -0.298 1 1 281 . 10 1 1 A 23 23 LYS N N 23 121.100 115.377 5.723 1 1 282 . 10 1 1 A 24 24 VAL H H 24 8.620 8.683 -0.063 1 1 283 . 10 1 1 A 24 24 VAL HA H 24 4.110 4.261 -0.151 1 1 291 . 10 1 1 A 24 24 VAL C C 24 175.800 175.694 0.106 1 1 292 . 10 1 1 A 24 24 VAL CA C 24 62.750 62.969 -0.219 1 1 293 . 10 1 1 A 24 24 VAL CB C 24 30.500 31.253 -0.753 1 1 296 . 10 1 1 A 24 24 VAL N N 24 125.600 122.503 3.097 1 1 297 . 10 1 1 A 25 25 ILE H H 25 8.430 8.842 -0.412 1 1 298 . 10 1 1 A 25 25 ILE HA H 25 4.210 4.099 0.111 1 1 308 . 10 1 1 A 25 25 ILE C C 25 176.700 175.956 0.744 1 1 309 . 10 1 1 A 25 25 ILE CA C 25 62.100 62.645 -0.545 1 1 310 . 10 1 1 A 25 25 ILE CB C 25 38.300 38.713 -0.413 1 1 314 . 10 1 1 A 25 25 ILE N N 25 127.400 129.200 -1.800 1 1 315 . 10 1 1 A 26 26 GLN H H 26 7.590 7.667 -0.077 1 1 316 . 10 1 1 A 26 26 GLN HA H 26 4.560 4.764 -0.204 1 1 323 . 10 1 1 A 26 26 GLN C C 26 173.700 173.923 -0.223 1 1 324 . 10 1 1 A 26 26 GLN CA C 26 55.400 55.503 -0.103 1 1 325 . 10 1 1 A 26 26 GLN CB C 26 34.100 32.212 1.888 1 1 327 . 10 1 1 A 26 26 GLN N N 26 117.100 118.547 -1.447 1 1 329 . 10 1 1 A 27 27 LEU H H 27 8.470 8.671 -0.201 1 1 330 . 10 1 1 A 27 27 LEU HA H 27 4.710 5.295 -0.585 1 1 340 . 10 1 1 A 27 27 LEU C C 27 176.200 175.321 0.879 1 1 341 . 10 1 1 A 27 27 LEU CA C 27 54.100 53.478 0.622 1 1 342 . 10 1 1 A 27 27 LEU CB C 27 44.000 46.185 -2.185 1 1 346 . 10 1 1 A 27 27 LEU N N 27 123.600 120.195 3.405 1 1 347 . 10 1 1 A 28 28 TRP H H 28 8.850 8.458 0.392 1 1 348 . 10 1 1 A 28 28 TRP HA H 28 5.180 5.073 0.107 1 1 357 . 10 1 1 A 28 28 TRP C C 28 175.900 174.903 0.997 1 1 358 . 10 1 1 A 28 28 TRP CA C 28 53.300 56.532 -3.232 1 1 359 . 10 1 1 A 28 28 TRP CB C 28 31.400 32.291 -0.891 1 1 365 . 10 1 1 A 28 28 TRP N N 28 123.900 122.033 1.867 1 1 367 . 10 1 1 A 29 29 GLU H H 29 8.620 8.373 0.247 1 1 368 . 10 1 1 A 29 29 GLU HA H 29 4.250 4.230 0.020 1 1 373 . 10 1 1 A 29 29 GLU C C 29 175.700 176.189 -0.489 1 1 374 . 10 1 1 A 29 29 GLU CA C 29 56.800 56.321 0.479 1 1 375 . 10 1 1 A 29 29 GLU CB C 29 30.000 29.564 0.436 1 1 377 . 10 1 1 A 29 29 GLU N N 29 120.700 125.178 -4.478 1 1 378 . 10 1 1 A 30 30 ASN H H 30 8.720 8.558 0.162 1 1 379 . 10 1 1 A 30 30 ASN HA H 30 4.870 5.484 -0.614 1 1 384 . 10 1 1 A 30 30 ASN C C 30 174.800 174.246 0.554 1 1 385 . 10 1 1 A 30 30 ASN CA C 30 53.800 51.284 2.516 1 1 386 . 10 1 1 A 30 30 ASN CB C 30 41.200 42.337 -1.137 1 1 387 . 10 1 1 A 30 30 ASN N N 30 121.400 122.233 -0.833 1 1 389 . 10 1 1 A 31 31 THR H H 31 8.300 8.391 -0.091 1 1 390 . 10 1 1 A 31 31 THR HA H 31 4.430 4.580 -0.150 1 1 395 . 10 1 1 A 31 31 THR C C 31 174.200 175.059 -0.859 1 1 396 . 10 1 1 A 31 31 THR CA C 31 61.000 60.979 0.021 1 1 397 . 10 1 1 A 31 31 THR CB C 31 69.600 69.359 0.241 1 1 399 . 10 1 1 A 31 31 THR N N 31 114.200 117.202 -3.002 1 1 400 . 10 1 1 A 32 32 HIS H H 32 7.840 7.587 0.253 1 1 401 . 10 1 1 A 32 32 HIS HA H 32 4.560 4.611 -0.051 1 1 405 . 10 1 1 A 32 32 HIS C C 32 177.300 175.093 2.207 1 1 406 . 10 1 1 A 32 32 HIS CA C 32 57.600 56.272 1.328 1 1 407 . 10 1 1 A 32 32 HIS CB C 32 32.000 29.887 2.113 1 1 409 . 10 1 1 A 32 32 HIS N N 32 122.500 121.450 1.050 1 1 410 . 10 1 1 A 33 33 GLU H H 33 9.020 8.159 0.861 1 1 411 . 10 1 1 A 33 33 GLU HA H 33 4.120 4.194 -0.074 1 1 416 . 10 1 1 A 33 33 GLU C C 33 177.100 177.231 -0.131 1 1 417 . 10 1 1 A 33 33 GLU CA C 33 59.000 58.608 0.392 1 1 418 . 10 1 1 A 33 33 GLU CB C 33 29.400 29.456 -0.056 1 1 420 . 10 1 1 A 33 33 GLU N N 33 127.300 118.629 8.671 1 1 421 . 10 1 1 A 34 34 SER H H 34 9.430 9.197 0.233 1 1 422 . 10 1 1 A 34 34 SER HA H 34 4.580 4.391 0.189 1 1 425 . 10 1 1 A 34 34 SER C C 34 174.800 174.081 0.719 1 1 426 . 10 1 1 A 34 34 SER CA C 34 59.500 61.570 -2.070 1 1 427 . 10 1 1 A 34 34 SER CB C 34 63.600 63.280 0.320 1 1 428 . 10 1 1 A 34 34 SER N N 34 113.400 114.154 -0.754 1 1 429 . 10 1 1 A 35 35 ILE H H 35 7.920 8.293 -0.373 1 1 430 . 10 1 1 A 35 35 ILE HA H 35 4.080 4.559 -0.479 1 1 440 . 10 1 1 A 35 35 ILE C C 35 174.300 175.483 -1.183 1 1 441 . 10 1 1 A 35 35 ILE CA C 35 61.600 59.826 1.774 1 1 442 . 10 1 1 A 35 35 ILE CB C 35 40.700 39.826 0.874 1 1 446 . 10 1 1 A 35 35 ILE N N 35 125.800 118.977 6.823 1 1 447 . 10 1 1 A 36 36 SER H H 36 9.010 8.641 0.369 1 1 448 . 10 1 1 A 36 36 SER HA H 36 4.480 4.495 -0.015 1 1 451 . 10 1 1 A 36 36 SER C C 36 174.900 173.664 1.236 1 1 452 . 10 1 1 A 36 36 SER CA C 36 58.800 59.919 -1.119 1 1 453 . 10 1 1 A 36 36 SER CB C 36 64.300 64.105 0.195 1 1 454 . 10 1 1 A 36 36 SER N N 36 119.100 122.191 -3.091 1 1 455 . 10 1 1 A 37 37 GLN H H 37 7.390 7.141 0.249 1 1 456 . 10 1 1 A 37 37 GLN HA H 37 4.690 4.901 -0.211 1 1 463 . 10 1 1 A 37 37 GLN C C 37 171.800 173.364 -1.564 1 1 464 . 10 1 1 A 37 37 GLN CA C 37 54.900 55.253 -0.353 1 1 465 . 10 1 1 A 37 37 GLN CB C 37 36.200 32.080 4.120 1 1 466 . 10 1 1 A 37 37 GLN N N 37 116.500 118.265 -1.765 1 1 468 . 10 1 1 A 38 38 VAL H H 38 8.640 8.314 0.326 1 1 469 . 10 1 1 A 38 38 VAL HA H 38 4.160 4.567 -0.407 1 1 477 . 10 1 1 A 38 38 VAL C C 38 172.400 174.325 -1.925 1 1 478 . 10 1 1 A 38 38 VAL CA C 38 58.500 59.290 -0.790 1 1 479 . 10 1 1 A 38 38 VAL CB C 38 35.300 35.489 -0.189 1 1 482 . 10 1 1 A 38 38 VAL N N 38 120.400 122.126 -1.726 1 1 483 . 10 1 1 A 39 39 GLY H H 39 6.440 6.708 -0.268 1 1 484 . 10 1 1 A 39 39 GLY HA2 H 39 3.690 4.168 -0.478 1 1 485 . 10 1 1 A 39 39 GLY HA3 H 39 1.940 4.200 -2.260 1 1 486 . 10 1 1 A 39 39 GLY C C 39 170.600 172.098 -1.498 1 1 487 . 10 1 1 A 39 39 GLY CA C 39 45.300 45.699 -0.399 1 1 488 . 10 1 1 A 39 39 GLY N N 39 109.600 112.361 -2.761 1 1 489 . 10 1 1 A 40 40 LEU H H 40 8.380 8.553 -0.173 1 1 490 . 10 1 1 A 40 40 LEU HA H 40 4.980 5.536 -0.556 1 1 499 . 10 1 1 A 40 40 LEU C C 40 176.000 175.565 0.435 1 1 500 . 10 1 1 A 40 40 LEU CA C 40 53.200 52.708 0.492 1 1 501 . 10 1 1 A 40 40 LEU CB C 40 47.400 46.536 0.864 1 1 504 . 10 1 1 A 40 40 LEU N N 40 119.500 119.969 -0.469 1 1 505 . 10 1 1 A 41 41 LEU H H 41 9.410 9.302 0.108 1 1 506 . 10 1 1 A 41 41 LEU HA H 41 5.320 5.133 0.187 1 1 516 . 10 1 1 A 41 41 LEU C C 41 176.700 175.828 0.872 1 1 517 . 10 1 1 A 41 41 LEU CA C 41 52.400 52.949 -0.549 1 1 518 . 10 1 1 A 41 41 LEU CB C 41 44.900 44.204 0.696 1 1 522 . 10 1 1 A 41 41 LEU N N 41 122.700 123.515 -0.815 1 1 523 . 10 1 1 A 42 42 GLY H H 42 9.210 9.980 -0.770 1 1 524 . 10 1 1 A 42 42 GLY HA2 H 42 3.550 4.119 -0.569 1 1 525 . 10 1 1 A 42 42 GLY HA3 H 42 5.350 4.119 1.231 1 1 526 . 10 1 1 A 42 42 GLY C C 42 171.200 172.595 -1.395 1 1 527 . 10 1 1 A 42 42 GLY CA C 42 45.700 45.411 0.289 1 1 528 . 10 1 1 A 42 42 GLY N N 42 104.600 112.407 -7.807 1 1 529 . 10 1 1 A 43 43 ASP H H 43 8.960 8.850 0.110 1 1 530 . 10 1 1 A 43 43 ASP HA H 43 4.640 4.953 -0.313 1 1 533 . 10 1 1 A 43 43 ASP C C 43 175.600 177.129 -1.529 1 1 534 . 10 1 1 A 43 43 ASP CA C 43 52.700 53.252 -0.552 1 1 535 . 10 1 1 A 43 43 ASP CB C 43 41.600 43.027 -1.427 1 1 536 . 10 1 1 A 43 43 ASP N N 43 121.900 126.561 -4.661 1 1 537 . 10 1 1 A 44 44 GLU H H 44 10.150 8.840 1.310 1 1 538 . 10 1 1 A 44 44 GLU HA H 44 4.380 4.167 0.213 1 1 543 . 10 1 1 A 44 44 GLU C C 44 176.900 177.324 -0.424 1 1 544 . 10 1 1 A 44 44 GLU CA C 44 59.300 59.032 0.268 1 1 545 . 10 1 1 A 44 44 GLU CB C 44 28.100 29.199 -1.099 1 1 547 . 10 1 1 A 44 44 GLU N N 44 118.000 121.664 -3.664 1 1 548 . 10 1 1 A 45 45 THR H H 45 9.600 7.748 1.852 1 1 549 . 10 1 1 A 45 45 THR HA H 45 4.580 4.504 0.076 1 1 554 . 10 1 1 A 45 45 THR C C 45 174.800 173.915 0.885 1 1 555 . 10 1 1 A 45 45 THR CA C 45 61.700 62.095 -0.395 1 1 556 . 10 1 1 A 45 45 THR CB C 45 70.000 69.510 0.490 1 1 558 . 10 1 1 A 45 45 THR N N 45 112.000 108.426 3.574 1 1 559 . 10 1 1 A 46 46 GLY H H 46 7.640 7.401 0.239 1 1 560 . 10 1 1 A 46 46 GLY HA2 H 46 3.830 4.144 -0.314 1 1 561 . 10 1 1 A 46 46 GLY HA3 H 46 4.000 4.147 -0.147 1 1 562 . 10 1 1 A 46 46 GLY C C 46 169.400 171.538 -2.138 1 1 563 . 10 1 1 A 46 46 GLY CA C 46 46.000 45.170 0.830 1 1 564 . 10 1 1 A 46 46 GLY N N 46 110.600 108.080 2.520 1 1 565 . 10 1 1 A 47 47 ILE H H 47 8.000 8.491 -0.491 1 1 566 . 10 1 1 A 47 47 ILE HA H 47 5.450 5.289 0.161 1 1 576 . 10 1 1 A 47 47 ILE C C 47 175.200 174.218 0.982 1 1 577 . 10 1 1 A 47 47 ILE CA C 47 59.100 58.630 0.470 1 1 578 . 10 1 1 A 47 47 ILE CB C 47 42.400 42.451 -0.051 1 1 582 . 10 1 1 A 47 47 ILE N N 47 113.900 118.834 -4.934 1 1 583 . 10 1 1 A 48 48 ILE H H 48 9.340 8.401 0.939 1 1 584 . 10 1 1 A 48 48 ILE HA H 48 4.640 4.765 -0.125 1 1 594 . 10 1 1 A 48 48 ILE C C 48 171.500 174.417 -2.917 1 1 595 . 10 1 1 A 48 48 ILE CA C 48 60.600 59.328 1.272 1 1 596 . 10 1 1 A 48 48 ILE CB C 48 42.000 41.592 0.408 1 1 600 . 10 1 1 A 48 48 ILE N N 48 123.600 122.084 1.516 1 1 601 . 10 1 1 A 49 49 LYS H H 49 8.350 8.297 0.053 1 1 602 . 10 1 1 A 49 49 LYS HA H 49 4.820 4.623 0.197 1 1 611 . 10 1 1 A 49 49 LYS C C 49 174.700 175.959 -1.259 1 1 612 . 10 1 1 A 49 49 LYS CA C 49 56.400 56.340 0.060 1 1 613 . 10 1 1 A 49 49 LYS CB C 49 33.800 34.498 -0.698 1 1 617 . 10 1 1 A 49 49 LYS N N 49 129.100 126.336 2.764 1 1 618 . 10 1 1 A 50 50 PHE H H 50 8.570 8.078 0.492 1 1 619 . 10 1 1 A 50 50 PHE HA H 50 5.820 5.309 0.511 1 1 627 . 10 1 1 A 50 50 PHE C C 50 172.100 172.685 -0.585 1 1 628 . 10 1 1 A 50 50 PHE CA C 50 54.800 56.435 -1.635 1 1 629 . 10 1 1 A 50 50 PHE CB C 50 43.900 41.721 2.179 1 1 635 . 10 1 1 A 50 50 PHE N N 50 122.700 116.858 5.842 1 1 636 . 10 1 1 A 51 51 THR H H 51 8.190 8.558 -0.368 1 1 637 . 10 1 1 A 51 51 THR HA H 51 4.320 4.850 -0.530 1 1 642 . 10 1 1 A 51 51 THR C C 51 172.900 172.926 -0.026 1 1 643 . 10 1 1 A 51 51 THR CA C 51 61.700 61.422 0.278 1 1 644 . 10 1 1 A 51 51 THR CB C 51 72.500 71.661 0.839 1 1 646 . 10 1 1 A 51 51 THR N N 51 114.400 114.743 -0.343 1 1 647 . 10 1 1 A 52 52 ILE H H 52 8.880 8.790 0.090 1 1 648 . 10 1 1 A 52 52 ILE HA H 52 4.650 4.631 0.019 1 1 658 . 10 1 1 A 52 52 ILE C C 52 176.000 175.053 0.947 1 1 659 . 10 1 1 A 52 52 ILE CA C 52 60.500 60.263 0.237 1 1 660 . 10 1 1 A 52 52 ILE CB C 52 38.900 39.669 -0.769 1 1 664 . 10 1 1 A 52 52 ILE N N 52 123.400 127.045 -3.645 1 1 665 . 10 1 1 A 53 53 TRP H H 53 8.020 8.604 -0.584 1 1 666 . 10 1 1 A 53 53 TRP HA H 53 4.740 4.885 -0.145 1 1 675 . 10 1 1 A 53 53 TRP C C 53 177.500 177.531 -0.031 1 1 676 . 10 1 1 A 53 53 TRP CA C 53 57.700 57.061 0.639 1 1 677 . 10 1 1 A 53 53 TRP CB C 53 30.400 30.557 -0.157 1 1 683 . 10 1 1 A 53 53 TRP N N 53 129.500 128.602 0.898 1 1 685 . 10 1 1 A 54 54 LYS H H 54 8.980 8.577 0.403 1 1 686 . 10 1 1 A 54 54 LYS HA H 54 4.100 4.007 0.093 1 1 695 . 10 1 1 A 54 54 LYS C C 54 177.700 178.539 -0.839 1 1 696 . 10 1 1 A 54 54 LYS CA C 54 59.400 59.610 -0.210 1 1 697 . 10 1 1 A 54 54 LYS CB C 54 32.400 32.322 0.078 1 1 701 . 10 1 1 A 54 54 LYS N N 54 125.500 124.833 0.667 1 1 702 . 10 1 1 A 55 55 ASN H H 55 8.600 8.376 0.224 1 1 703 . 10 1 1 A 55 55 ASN HA H 55 4.510 4.652 -0.142 1 1 708 . 10 1 1 A 55 55 ASN C C 55 175.300 176.536 -1.236 1 1 709 . 10 1 1 A 55 55 ASN CA C 55 53.700 55.119 -1.419 1 1 710 . 10 1 1 A 55 55 ASN CB C 55 37.100 38.184 -1.084 1 1 711 . 10 1 1 A 55 55 ASN N N 55 115.400 117.415 -2.015 1 1 713 . 10 1 1 A 56 56 ALA H H 56 7.630 7.783 -0.153 1 1 714 . 10 1 1 A 56 56 ALA HA H 56 3.970 4.408 -0.438 1 1 718 . 10 1 1 A 56 56 ALA C C 56 176.100 177.035 -0.935 1 1 719 . 10 1 1 A 56 56 ALA CA C 56 53.500 52.566 0.934 1 1 720 . 10 1 1 A 56 56 ALA CB C 56 18.400 19.868 -1.468 1 1 721 . 10 1 1 A 56 56 ALA N N 56 121.200 121.535 -0.335 1 1 722 . 10 1 1 A 57 57 GLU H H 57 7.880 8.107 -0.227 1 1 723 . 10 1 1 A 57 57 GLU HA H 57 3.940 3.880 0.060 1 1 728 . 10 1 1 A 57 57 GLU C C 57 175.400 174.993 0.407 1 1 729 . 10 1 1 A 57 57 GLU CA C 57 56.700 57.370 -0.670 1 1 730 . 10 1 1 A 57 57 GLU CB C 57 27.300 27.388 -0.088 1 1 732 . 10 1 1 A 57 57 GLU N N 57 112.500 114.992 -2.492 1 1 733 . 10 1 1 A 58 58 LEU H H 58 7.910 7.844 0.066 1 1 734 . 10 1 1 A 58 58 LEU HA H 58 4.740 4.777 -0.037 1 1 744 . 10 1 1 A 58 58 LEU C C 58 175.400 174.415 0.985 1 1 745 . 10 1 1 A 58 58 LEU CA C 58 52.300 51.743 0.557 1 1 746 . 10 1 1 A 58 58 LEU CB C 58 42.900 43.254 -0.354 1 1 750 . 10 1 1 A 58 58 LEU N N 58 120.000 120.055 -0.055 1 1 751 . 10 1 1 A 59 59 PRO HA H 59 4.380 4.467 -0.087 1 1 758 . 10 1 1 A 59 59 PRO CA C 59 62.200 63.038 -0.838 1 1 759 . 10 1 1 A 59 59 PRO CB C 59 32.000 31.858 0.142 1 1 762 . 10 1 1 A 60 60 LEU H H 60 7.860 8.238 -0.378 1 1 763 . 10 1 1 A 60 60 LEU HA H 60 3.920 4.418 -0.498 1 1 773 . 10 1 1 A 60 60 LEU C C 60 178.300 177.335 0.965 1 1 774 . 10 1 1 A 60 60 LEU CA C 60 55.000 54.672 0.328 1 1 775 . 10 1 1 A 60 60 LEU CB C 60 41.800 42.391 -0.591 1 1 779 . 10 1 1 A 60 60 LEU N N 60 117.500 123.857 -6.357 1 1 780 . 10 1 1 A 61 61 LEU H H 61 9.680 8.272 1.408 1 1 781 . 10 1 1 A 61 61 LEU HA H 61 4.040 3.915 0.125 1 1 791 . 10 1 1 A 61 61 LEU C C 61 177.300 176.848 0.452 1 1 792 . 10 1 1 A 61 61 LEU CA C 61 54.100 53.706 0.394 1 1 793 . 10 1 1 A 61 61 LEU CB C 61 41.300 42.257 -0.957 1 1 797 . 10 1 1 A 61 61 LEU N N 61 122.300 123.321 -1.021 1 1 798 . 10 1 1 A 62 62 GLU H H 62 8.390 9.383 -0.993 1 1 799 . 10 1 1 A 62 62 GLU HA H 62 4.430 4.698 -0.268 1 1 804 . 10 1 1 A 62 62 GLU C C 62 175.600 176.327 -0.727 1 1 805 . 10 1 1 A 62 62 GLU CA C 62 54.800 54.996 -0.196 1 1 806 . 10 1 1 A 62 62 GLU CB C 62 32.200 31.834 0.366 1 1 808 . 10 1 1 A 62 62 GLU N N 62 120.500 122.720 -2.220 1 1 809 . 10 1 1 A 63 63 GLN H H 63 8.780 8.755 0.025 1 1 810 . 10 1 1 A 63 63 GLN HA H 63 3.700 4.030 -0.330 1 1 817 . 10 1 1 A 63 63 GLN C C 63 176.600 176.843 -0.243 1 1 818 . 10 1 1 A 63 63 GLN CA C 63 58.100 57.663 0.437 1 1 819 . 10 1 1 A 63 63 GLN CB C 63 28.300 28.484 -0.184 1 1 821 . 10 1 1 A 63 63 GLN N N 63 123.300 123.370 -0.070 1 1 823 . 10 1 1 A 64 64 GLY H H 64 9.140 8.970 0.170 1 1 824 . 10 1 1 A 64 64 GLY HA2 H 64 3.580 4.023 -0.443 1 1 825 . 10 1 1 A 64 64 GLY HA3 H 64 4.390 4.027 0.363 1 1 826 . 10 1 1 A 64 64 GLY C C 64 173.900 174.256 -0.356 1 1 827 . 10 1 1 A 64 64 GLY CA C 64 45.300 45.003 0.297 1 1 828 . 10 1 1 A 64 64 GLY N N 64 115.100 114.892 0.208 1 1 829 . 10 1 1 A 65 65 GLU H H 65 7.590 7.631 -0.041 1 1 830 . 10 1 1 A 65 65 GLU HA H 65 4.490 4.603 -0.113 1 1 835 . 10 1 1 A 65 65 GLU C C 65 174.200 176.110 -1.910 1 1 836 . 10 1 1 A 65 65 GLU CA C 65 54.900 55.053 -0.153 1 1 837 . 10 1 1 A 65 65 GLU CB C 65 30.500 31.002 -0.502 1 1 839 . 10 1 1 A 65 65 GLU N N 65 120.300 120.652 -0.352 1 1 840 . 10 1 1 A 66 66 SER H H 66 8.700 8.256 0.444 1 1 841 . 10 1 1 A 66 66 SER HA H 66 5.330 5.021 0.309 1 1 844 . 10 1 1 A 66 66 SER C C 66 174.100 173.210 0.890 1 1 845 . 10 1 1 A 66 66 SER CA C 66 58.300 57.075 1.225 1 1 846 . 10 1 1 A 66 66 SER CB C 66 65.500 64.818 0.682 1 1 847 . 10 1 1 A 66 66 SER N N 66 116.500 115.010 1.490 1 1 848 . 10 1 1 A 67 67 TYR H H 67 9.090 9.119 -0.029 1 1 849 . 10 1 1 A 67 67 TYR HA H 67 5.110 4.990 0.120 1 1 856 . 10 1 1 A 67 67 TYR C C 67 173.900 174.287 -0.387 1 1 857 . 10 1 1 A 67 67 TYR CA C 67 57.500 56.259 1.241 1 1 858 . 10 1 1 A 67 67 TYR CB C 67 43.900 42.978 0.922 1 1 863 . 10 1 1 A 67 67 TYR N N 67 119.000 120.206 -1.206 1 1 864 . 10 1 1 A 68 68 LEU H H 68 9.230 9.148 0.082 1 1 865 . 10 1 1 A 68 68 LEU HA H 68 5.000 5.271 -0.271 1 1 875 . 10 1 1 A 68 68 LEU C C 68 175.300 174.466 0.834 1 1 876 . 10 1 1 A 68 68 LEU CA C 68 54.300 53.621 0.679 1 1 877 . 10 1 1 A 68 68 LEU CB C 68 43.800 45.230 -1.430 1 1 881 . 10 1 1 A 68 68 LEU N N 68 121.800 124.593 -2.793 1 1 882 . 10 1 1 A 69 69 LEU H H 69 9.460 8.852 0.608 1 1 883 . 10 1 1 A 69 69 LEU HA H 69 5.010 5.004 0.006 1 1 893 . 10 1 1 A 69 69 LEU C C 69 175.000 175.703 -0.703 1 1 894 . 10 1 1 A 69 69 LEU CA C 69 54.100 53.868 0.232 1 1 895 . 10 1 1 A 69 69 LEU CB C 69 42.300 43.603 -1.303 1 1 899 . 10 1 1 A 69 69 LEU N N 69 128.500 128.139 0.361 1 1 900 . 10 1 1 A 70 70 ARG H H 70 8.910 8.549 0.361 1 1 901 . 10 1 1 A 70 70 ARG HA H 70 4.850 4.925 -0.075 1 1 909 . 10 1 1 A 70 70 ARG C C 70 176.400 175.834 0.566 1 1 910 . 10 1 1 A 70 70 ARG CA C 70 54.900 54.821 0.079 1 1 911 . 10 1 1 A 70 70 ARG CB C 70 32.300 32.577 -0.277 1 1 914 . 10 1 1 A 70 70 ARG N N 70 121.500 124.253 -2.753 1 1 916 . 10 1 1 A 71 71 SER H H 71 8.800 8.671 0.129 1 1 917 . 10 1 1 A 71 71 SER HA H 71 3.870 4.130 -0.260 1 1 920 . 10 1 1 A 71 71 SER C C 71 175.800 173.336 2.464 1 1 921 . 10 1 1 A 71 71 SER CA C 71 58.600 58.985 -0.385 1 1 922 . 10 1 1 A 71 71 SER CB C 71 62.000 61.615 0.385 1 1 923 . 10 1 1 A 71 71 SER N N 71 114.400 113.212 1.188 1 1 924 . 10 1 1 A 72 72 VAL H H 72 8.750 7.562 1.188 1 1 925 . 10 1 1 A 72 72 VAL HA H 72 4.610 5.009 -0.399 1 1 933 . 10 1 1 A 72 72 VAL C C 72 173.300 173.992 -0.692 1 1 934 . 10 1 1 A 72 72 VAL CA C 72 59.300 59.503 -0.203 1 1 935 . 10 1 1 A 72 72 VAL CB C 72 31.900 34.725 -2.825 1 1 938 . 10 1 1 A 72 72 VAL N N 72 115.500 115.676 -0.176 1 1 939 . 10 1 1 A 73 73 VAL H H 73 7.940 8.417 -0.477 1 1 940 . 10 1 1 A 73 73 VAL HA H 73 4.760 4.708 0.052 1 1 948 . 10 1 1 A 73 73 VAL C C 73 174.300 173.700 0.600 1 1 949 . 10 1 1 A 73 73 VAL CA C 73 58.800 59.177 -0.377 1 1 950 . 10 1 1 A 73 73 VAL CB C 73 34.500 34.802 -0.302 1 1 953 . 10 1 1 A 73 73 VAL N N 73 118.200 121.434 -3.234 1 1 954 . 10 1 1 A 74 74 VAL H H 74 8.430 8.182 0.248 1 1 955 . 10 1 1 A 74 74 VAL HA H 74 4.560 4.434 0.126 1 1 963 . 10 1 1 A 74 74 VAL C C 74 177.300 175.752 1.548 1 1 964 . 10 1 1 A 74 74 VAL CA C 74 62.100 61.117 0.983 1 1 965 . 10 1 1 A 74 74 VAL CB C 74 32.700 32.206 0.494 1 1 968 . 10 1 1 A 74 74 VAL N N 74 127.800 127.039 0.761 1 1 969 . 10 1 1 A 75 75 GLY H H 75 9.040 9.330 -0.290 1 1 970 . 10 1 1 A 75 75 GLY HA2 H 75 3.750 4.279 -0.529 1 1 971 . 10 1 1 A 75 75 GLY HA3 H 75 5.120 4.312 0.808 1 1 972 . 10 1 1 A 75 75 GLY C C 75 172.500 171.873 0.627 1 1 973 . 10 1 1 A 75 75 GLY CA C 75 43.700 44.079 -0.379 1 1 974 . 10 1 1 A 75 75 GLY N N 75 116.000 115.754 0.246 1 1 975 . 10 1 1 A 76 76 GLU H H 76 8.380 8.632 -0.252 1 1 976 . 10 1 1 A 76 76 GLU HA H 76 4.690 4.640 0.050 1 1 981 . 10 1 1 A 76 76 GLU C C 76 176.000 174.645 1.355 1 1 982 . 10 1 1 A 76 76 GLU CA C 76 56.100 55.240 0.860 1 1 983 . 10 1 1 A 76 76 GLU CB C 76 32.000 30.486 1.514 1 1 985 . 10 1 1 A 76 76 GLU N N 76 120.200 122.669 -2.469 1 1 986 . 10 1 1 A 77 77 TYR H H 77 8.430 8.460 -0.030 1 1 987 . 10 1 1 A 77 77 TYR HA H 77 4.570 4.907 -0.337 1 1 994 . 10 1 1 A 77 77 TYR C C 77 174.200 175.412 -1.212 1 1 995 . 10 1 1 A 77 77 TYR CA C 77 56.500 57.004 -0.504 1 1 996 . 10 1 1 A 77 77 TYR CB C 77 39.800 39.893 -0.093 1 1 1001 . 10 1 1 A 77 77 TYR N N 77 124.400 129.449 -5.049 1 1 1002 . 10 1 1 A 78 78 ASN H H 78 9.100 8.696 0.404 1 1 1003 . 10 1 1 A 78 78 ASN HA H 78 4.000 4.385 -0.385 1 1 1008 . 10 1 1 A 78 78 ASN C C 78 177.300 174.773 2.527 1 1 1009 . 10 1 1 A 78 78 ASN CA C 78 54.700 54.836 -0.136 1 1 1010 . 10 1 1 A 78 78 ASN CB C 78 36.600 37.498 -0.898 1 1 1011 . 10 1 1 A 78 78 ASN N N 78 125.800 126.789 -0.989 1 1 1013 . 10 1 1 A 79 79 ASP H H 79 8.640 8.405 0.235 1 1 1014 . 10 1 1 A 79 79 ASP HA H 79 4.240 4.564 -0.324 1 1 1017 . 10 1 1 A 79 79 ASP C C 79 174.600 176.078 -1.478 1 1 1018 . 10 1 1 A 79 79 ASP CA C 79 54.900 54.756 0.144 1 1 1019 . 10 1 1 A 79 79 ASP CB C 79 39.700 41.669 -1.969 1 1 1020 . 10 1 1 A 79 79 ASP N N 79 115.700 125.601 -9.901 1 1 1021 . 10 1 1 A 80 80 ARG H H 80 7.880 7.684 0.196 1 1 1022 . 10 1 1 A 80 80 ARG HA H 80 4.370 4.742 -0.372 1 1 1030 . 10 1 1 A 80 80 ARG C C 80 175.000 175.506 -0.506 1 1 1031 . 10 1 1 A 80 80 ARG CA C 80 54.200 54.592 -0.392 1 1 1032 . 10 1 1 A 80 80 ARG CB C 80 31.800 31.772 0.028 1 1 1035 . 10 1 1 A 80 80 ARG N N 80 119.700 117.641 2.059 1 1 1037 . 10 1 1 A 81 81 PHE H H 81 8.410 8.854 -0.444 1 1 1038 . 10 1 1 A 81 81 PHE HA H 81 5.420 5.322 0.098 1 1 1046 . 10 1 1 A 81 81 PHE C C 81 174.400 175.028 -0.628 1 1 1047 . 10 1 1 A 81 81 PHE CA C 81 57.200 56.770 0.430 1 1 1048 . 10 1 1 A 81 81 PHE CB C 81 42.000 42.304 -0.304 1 1 1054 . 10 1 1 A 81 81 PHE N N 81 120.700 118.781 1.919 1 1 1055 . 10 1 1 A 82 82 GLN H H 82 8.950 9.001 -0.051 1 1 1056 . 10 1 1 A 82 82 GLN HA H 82 5.110 5.041 0.069 1 1 1063 . 10 1 1 A 82 82 GLN C C 82 172.400 173.594 -1.194 1 1 1064 . 10 1 1 A 82 82 GLN CA C 82 53.500 54.488 -0.988 1 1 1065 . 10 1 1 A 82 82 GLN CB C 82 31.900 32.642 -0.742 1 1 1067 . 10 1 1 A 82 82 GLN N N 82 115.000 118.526 -3.526 1 1 1069 . 10 1 1 A 83 83 VAL H H 83 9.090 8.315 0.775 1 1 1070 . 10 1 1 A 83 83 VAL HA H 83 4.380 4.901 -0.521 1 1 1078 . 10 1 1 A 83 83 VAL C C 83 174.600 174.890 -0.290 1 1 1079 . 10 1 1 A 83 83 VAL CA C 83 61.600 60.669 0.931 1 1 1080 . 10 1 1 A 83 83 VAL CB C 83 33.500 33.781 -0.281 1 1 1083 . 10 1 1 A 83 83 VAL N N 83 118.900 117.000 1.900 1 1 1084 . 10 1 1 A 84 84 GLN H H 84 9.280 8.921 0.359 1 1 1085 . 10 1 1 A 84 84 GLN HA H 84 5.020 4.936 0.084 1 1 1092 . 10 1 1 A 84 84 GLN C C 84 174.500 174.605 -0.105 1 1 1093 . 10 1 1 A 84 84 GLN CA C 84 54.400 54.826 -0.426 1 1 1094 . 10 1 1 A 84 84 GLN CB C 84 29.900 30.481 -0.581 1 1 1096 . 10 1 1 A 84 84 GLN N N 84 124.800 125.423 -0.623 1 1 1098 . 10 1 1 A 85 85 VAL H H 85 8.680 8.742 -0.062 1 1 1099 . 10 1 1 A 85 85 VAL HA H 85 4.300 4.934 -0.634 1 1 1107 . 10 1 1 A 85 85 VAL C C 85 174.500 174.803 -0.303 1 1 1108 . 10 1 1 A 85 85 VAL CA C 85 61.700 61.189 0.511 1 1 1109 . 10 1 1 A 85 85 VAL CB C 85 31.700 33.278 -1.578 1 1 1112 . 10 1 1 A 85 85 VAL N N 85 125.500 125.352 0.148 1 1 1113 . 10 1 1 A 86 86 ASN H H 86 8.740 9.236 -0.496 1 1 1114 . 10 1 1 A 86 86 ASN HA H 86 5.240 5.567 -0.327 1 1 1119 . 10 1 1 A 86 86 ASN C C 86 175.300 174.175 1.125 1 1 1120 . 10 1 1 A 86 86 ASN CA C 86 51.800 52.009 -0.209 1 1 1121 . 10 1 1 A 86 86 ASN CB C 86 42.400 40.828 1.572 1 1 1122 . 10 1 1 A 86 86 ASN N N 86 124.000 123.068 0.932 1 1 1124 . 10 1 1 A 87 87 LYS H H 87 8.530 8.505 0.025 1 1 1125 . 10 1 1 A 87 87 LYS HA H 87 4.210 4.230 -0.020 1 1 1134 . 10 1 1 A 87 87 LYS C C 87 176.700 176.585 0.115 1 1 1135 . 10 1 1 A 87 87 LYS CA C 87 59.000 56.719 2.281 1 1 1136 . 10 1 1 A 87 87 LYS CB C 87 32.400 33.105 -0.705 1 1 1140 . 10 1 1 A 87 87 LYS N N 87 117.600 117.204 0.396 1 1 1141 . 10 1 1 A 88 88 ASN H H 88 8.600 9.050 -0.450 1 1 1142 . 10 1 1 A 88 88 ASN HA H 88 4.810 4.649 0.161 1 1 1147 . 10 1 1 A 88 88 ASN C C 88 175.600 174.755 0.845 1 1 1148 . 10 1 1 A 88 88 ASN CA C 88 54.100 54.792 -0.692 1 1 1149 . 10 1 1 A 88 88 ASN CB C 88 39.100 38.239 0.861 1 1 1150 . 10 1 1 A 88 88 ASN N N 88 115.500 118.424 -2.924 1 1 1152 . 10 1 1 A 89 89 SER H H 89 8.150 8.666 -0.516 1 1 1153 . 10 1 1 A 89 89 SER HA H 89 5.120 4.630 0.490 1 1 1156 . 10 1 1 A 89 89 SER C C 89 172.400 173.707 -1.307 1 1 1157 . 10 1 1 A 89 89 SER CA C 89 58.100 58.369 -0.269 1 1 1158 . 10 1 1 A 89 89 SER CB C 89 64.000 65.323 -1.323 1 1 1159 . 10 1 1 A 89 89 SER N N 89 117.500 115.536 1.964 1 1 1160 . 10 1 1 A 90 90 SER H H 90 8.200 8.513 -0.313 1 1 1161 . 10 1 1 A 90 90 SER HA H 90 4.680 5.288 -0.608 1 1 1164 . 10 1 1 A 90 90 SER C C 90 172.400 173.225 -0.825 1 1 1165 . 10 1 1 A 90 90 SER CA C 90 57.700 56.742 0.958 1 1 1166 . 10 1 1 A 90 90 SER CB C 90 65.700 66.852 -1.152 1 1 1167 . 10 1 1 A 90 90 SER N N 90 113.200 114.258 -1.058 1 1 1168 . 10 1 1 A 91 91 ILE H H 91 8.640 8.668 -0.028 1 1 1169 . 10 1 1 A 91 91 ILE HA H 91 5.030 5.142 -0.112 1 1 1179 . 10 1 1 A 91 91 ILE C C 91 175.300 174.324 0.976 1 1 1180 . 10 1 1 A 91 91 ILE CA C 91 60.200 60.338 -0.138 1 1 1181 . 10 1 1 A 91 91 ILE CB C 91 42.200 41.735 0.465 1 1 1185 . 10 1 1 A 91 91 ILE N N 91 119.700 121.402 -1.702 1 1 1186 . 10 1 1 A 92 92 GLU H H 92 8.810 9.214 -0.404 1 1 1187 . 10 1 1 A 92 92 GLU HA H 92 4.710 5.277 -0.567 1 1 1192 . 10 1 1 A 92 92 GLU C C 92 174.700 175.029 -0.329 1 1 1193 . 10 1 1 A 92 92 GLU CA C 92 54.600 54.672 -0.072 1 1 1194 . 10 1 1 A 92 92 GLU CB C 92 33.300 33.220 0.080 1 1 1196 . 10 1 1 A 92 92 GLU N N 92 125.900 128.077 -2.177 1 1 1197 . 10 1 1 A 93 93 LYS H H 93 9.080 8.531 0.549 1 1 1198 . 10 1 1 A 93 93 LYS HA H 93 4.100 4.433 -0.333 1 1 1207 . 10 1 1 A 93 93 LYS C C 93 176.400 175.231 1.169 1 1 1208 . 10 1 1 A 93 93 LYS CA C 93 57.500 56.298 1.202 1 1 1209 . 10 1 1 A 93 93 LYS CB C 93 32.900 33.384 -0.484 1 1 1213 . 10 1 1 A 93 93 LYS N N 93 127.600 128.273 -0.673 1 1 1214 . 10 1 1 A 94 94 LEU H H 94 8.410 8.419 -0.009 1 1 1215 . 10 1 1 A 94 94 LEU HA H 94 4.480 4.885 -0.405 1 1 1224 . 10 1 1 A 94 94 LEU C C 94 177.300 177.370 -0.070 1 1 1225 . 10 1 1 A 94 94 LEU CA C 94 53.900 52.993 0.907 1 1 1226 . 10 1 1 A 94 94 LEU CB C 94 42.900 44.750 -1.850 1 1 1230 . 10 1 1 A 94 94 LEU N N 94 127.300 126.652 0.648 1 1 1231 . 10 1 1 A 95 95 SER H H 95 8.630 8.677 -0.047 1 1 1232 . 10 1 1 A 95 95 SER HA H 95 4.350 4.433 -0.083 1 1 1235 . 10 1 1 A 95 95 SER C C 95 173.800 173.704 0.096 1 1 1236 . 10 1 1 A 95 95 SER CA C 95 58.900 58.688 0.212 1 1 1237 . 10 1 1 A 95 95 SER CB C 95 63.400 63.395 0.005 1 1 1238 . 10 1 1 A 95 95 SER N N 95 115.700 116.820 -1.120 1 1 1239 . 10 1 1 A 96 96 GLU H H 96 7.230 7.508 -0.278 1 1 1240 . 10 1 1 A 96 96 GLU HA H 96 4.750 4.817 -0.067 1 1 1245 . 10 1 1 A 96 96 GLU CA C 96 53.000 52.893 0.107 1 1 1246 . 10 1 1 A 96 96 GLU CB C 96 30.700 32.080 -1.380 1 1 1248 . 10 1 1 A 96 96 GLU N N 96 121.600 122.594 -0.994 1 1 1249 . 10 1 1 A 97 97 PRO HA H 97 4.250 4.681 -0.431 1 1 1256 . 10 1 1 A 97 97 PRO CA C 97 62.400 62.407 -0.007 1 1 1257 . 10 1 1 A 97 97 PRO CB C 97 32.600 32.658 -0.058 1 1 1260 . 10 1 1 A 98 98 ILE H H 98 7.920 8.460 -0.540 1 1 1261 . 10 1 1 A 98 98 ILE HA H 98 4.070 4.754 -0.684 1 1 1271 . 10 1 1 A 98 98 ILE C C 98 175.400 174.605 0.795 1 1 1272 . 10 1 1 A 98 98 ILE CA C 98 59.300 59.681 -0.381 1 1 1273 . 10 1 1 A 98 98 ILE CB C 98 38.300 39.847 -1.547 1 1 1277 . 10 1 1 A 98 98 ILE N N 98 122.700 121.005 1.695 1 1 1278 . 10 1 1 A 99 99 GLU H H 99 8.550 8.954 -0.404 1 1 1279 . 10 1 1 A 99 99 GLU HA H 99 4.260 4.785 -0.525 1 1 1284 . 10 1 1 A 99 99 GLU C C 99 175.100 175.393 -0.293 1 1 1285 . 10 1 1 A 99 99 GLU CA C 99 55.500 55.459 0.041 1 1 1286 . 10 1 1 A 99 99 GLU CB C 99 30.000 31.443 -1.443 1 1 1288 . 10 1 1 A 99 99 GLU N N 99 127.900 127.851 0.049 1 1 1289 . 10 1 1 A 100 100 VAL H H 100 7.970 8.996 -1.026 1 1 1290 . 10 1 1 A 100 100 VAL HA H 100 3.980 4.554 -0.574 1 1 1298 . 10 1 1 A 100 100 VAL C C 100 176.700 175.722 0.978 1 1 1299 . 10 1 1 A 100 100 VAL CA C 100 61.000 61.282 -0.282 1 1 1300 . 10 1 1 A 100 100 VAL CB C 100 33.000 32.164 0.836 1 1 1303 . 10 1 1 A 100 100 VAL N N 100 121.100 128.033 -6.933 1 1 1304 . 10 1 1 A 101 101 GLY H H 101 8.520 8.855 -0.335 1 1 1305 . 10 1 1 A 101 101 GLY HA2 H 101 3.830 4.128 -0.298 1 1 1306 . 10 1 1 A 101 101 GLY HA3 H 101 3.980 4.292 -0.312 1 1 1307 . 10 1 1 A 101 101 GLY C C 101 174.200 175.335 -1.135 1 1 1308 . 10 1 1 A 101 101 GLY CA C 101 45.800 45.616 0.184 1 1 1309 . 10 1 1 A 101 101 GLY N N 101 114.000 115.528 -1.528 1 1 1310 . 10 1 1 A 102 102 LEU H H 102 8.100 7.761 0.339 1 1 1311 . 10 1 1 A 102 102 LEU HA H 102 4.170 4.246 -0.076 1 1 1320 . 10 1 1 A 102 102 LEU C C 102 177.700 178.635 -0.935 1 1 1321 . 10 1 1 A 102 102 LEU CA C 102 55.500 57.173 -1.673 1 1 1322 . 10 1 1 A 102 102 LEU CB C 102 42.600 41.606 0.994 1 1 1326 . 10 1 1 A 102 102 LEU N N 102 121.000 121.844 -0.844 1 1 1327 . 10 1 1 A 103 103 GLU H H 103 8.420 8.018 0.402 1 1 1328 . 10 1 1 A 103 103 GLU HA H 103 4.090 4.098 -0.008 1 1 1333 . 10 1 1 A 103 103 GLU C C 103 176.400 177.284 -0.884 1 1 1334 . 10 1 1 A 103 103 GLU CA C 103 57.100 59.140 -2.040 1 1 1335 . 10 1 1 A 103 103 GLU CB C 103 29.900 29.328 0.572 1 1 1337 . 10 1 1 A 103 103 GLU N N 103 120.000 118.388 1.612 1 1 1338 . 10 1 1 A 104 104 HIS H H 104 8.180 7.734 0.446 1 1 1339 . 10 1 1 A 104 104 HIS HA H 104 4.580 4.976 -0.396 1 1 1342 . 10 1 1 A 104 104 HIS C C 104 173.800 175.553 -1.753 1 1 1343 . 10 1 1 A 104 104 HIS CA C 104 55.700 55.553 0.147 1 1 1344 . 10 1 1 A 104 104 HIS CB C 104 30.000 31.000 -1.000 1 1 1345 . 10 1 1 A 104 104 HIS N N 104 119.000 118.359 0.641 1 1 1346 . 10 1 1 A 105 105 HIS H H 105 8.160 8.654 -0.494 1 1 1347 . 10 1 1 A 105 105 HIS HA H 105 4.380 4.827 -0.447 1 1 1350 . 10 1 1 A 105 105 HIS CA C 105 57.200 54.596 2.604 1 1 1351 . 10 1 1 A 105 105 HIS CB C 105 30.000 29.408 0.592 1 1 1 . 11 1 1 A 3 3 PRO HA H 3 4.430 4.432 -0.002 1 1 8 . 11 1 1 A 3 3 PRO C C 3 175.600 176.600 -1.000 1 1 9 . 11 1 1 A 3 3 PRO CA C 3 62.510 63.199 -0.689 1 1 10 . 11 1 1 A 3 3 PRO CB C 3 32.000 31.744 0.256 1 1 13 . 11 1 1 A 4 4 GLN H H 4 8.580 8.440 0.140 1 1 14 . 11 1 1 A 4 4 GLN HA H 4 4.260 4.579 -0.319 1 1 21 . 11 1 1 A 4 4 GLN C C 4 176.900 175.149 1.751 1 1 22 . 11 1 1 A 4 4 GLN CA C 4 55.700 56.072 -0.372 1 1 23 . 11 1 1 A 4 4 GLN CB C 4 29.200 29.292 -0.092 1 1 25 . 11 1 1 A 4 4 GLN N N 4 120.000 121.743 -1.743 1 1 27 . 11 1 1 A 5 5 LEU H H 5 8.920 9.077 -0.157 1 1 28 . 11 1 1 A 5 5 LEU HA H 5 4.660 5.312 -0.652 1 1 38 . 11 1 1 A 5 5 LEU C C 5 176.900 175.639 1.261 1 1 39 . 11 1 1 A 5 5 LEU CA C 5 54.700 53.816 0.884 1 1 40 . 11 1 1 A 5 5 LEU CB C 5 43.000 43.546 -0.546 1 1 44 . 11 1 1 A 5 5 LEU N N 5 128.500 126.840 1.660 1 1 45 . 11 1 1 A 6 6 THR H H 6 8.750 8.410 0.340 1 1 46 . 11 1 1 A 6 6 THR HA H 6 4.530 5.124 -0.594 1 1 51 . 11 1 1 A 6 6 THR C C 6 173.700 172.727 0.973 1 1 52 . 11 1 1 A 6 6 THR CA C 6 61.600 59.680 1.920 1 1 53 . 11 1 1 A 6 6 THR CB C 6 72.000 72.326 -0.326 1 1 55 . 11 1 1 A 6 6 THR N N 6 121.000 118.515 2.485 1 1 56 . 11 1 1 A 7 7 LYS H H 7 9.080 8.813 0.267 1 1 57 . 11 1 1 A 7 7 LYS HA H 7 4.430 4.469 -0.039 1 1 66 . 11 1 1 A 7 7 LYS C C 7 178.600 177.956 0.644 1 1 67 . 11 1 1 A 7 7 LYS CA C 7 54.300 55.305 -1.005 1 1 68 . 11 1 1 A 7 7 LYS CB C 7 32.300 33.559 -1.259 1 1 72 . 11 1 1 A 7 7 LYS N N 7 126.300 125.213 1.087 1 1 73 . 11 1 1 A 8 8 ILE H H 8 9.870 8.587 1.283 1 1 74 . 11 1 1 A 8 8 ILE HA H 8 3.240 3.698 -0.458 1 1 82 . 11 1 1 A 8 8 ILE C C 8 178.700 177.846 0.854 1 1 83 . 11 1 1 A 8 8 ILE CA C 8 66.800 64.383 2.417 1 1 84 . 11 1 1 A 8 8 ILE CB C 8 36.400 37.726 -1.326 1 1 87 . 11 1 1 A 8 8 ILE N N 8 124.700 124.585 0.115 1 1 88 . 11 1 1 A 9 9 VAL H H 9 8.340 8.011 0.329 1 1 89 . 11 1 1 A 9 9 VAL HA H 9 3.930 3.966 -0.036 1 1 97 . 11 1 1 A 9 9 VAL C C 9 178.700 176.323 2.377 1 1 98 . 11 1 1 A 9 9 VAL CA C 9 63.300 63.831 -0.531 1 1 99 . 11 1 1 A 9 9 VAL CB C 9 31.700 31.490 0.210 1 1 102 . 11 1 1 A 9 9 VAL N N 9 119.500 120.172 -0.672 1 1 103 . 11 1 1 A 10 10 ASP H H 10 7.510 8.414 -0.904 1 1 104 . 11 1 1 A 10 10 ASP HA H 10 4.730 4.857 -0.127 1 1 107 . 11 1 1 A 10 10 ASP C C 10 174.500 176.431 -1.931 1 1 108 . 11 1 1 A 10 10 ASP CA C 10 54.400 53.783 0.617 1 1 109 . 11 1 1 A 10 10 ASP CB C 10 41.100 41.978 -0.878 1 1 110 . 11 1 1 A 10 10 ASP N N 10 119.100 120.357 -1.257 1 1 111 . 11 1 1 A 11 11 ILE H H 11 7.460 7.440 0.020 1 1 112 . 11 1 1 A 11 11 ILE HA H 11 3.800 3.463 0.337 1 1 122 . 11 1 1 A 11 11 ILE C C 11 174.900 177.230 -2.330 1 1 123 . 11 1 1 A 11 11 ILE CA C 11 62.100 65.070 -2.970 1 1 124 . 11 1 1 A 11 11 ILE CB C 11 35.300 37.516 -2.216 1 1 128 . 11 1 1 A 11 11 ILE N N 11 124.200 119.738 4.462 1 1 129 . 11 1 1 A 12 12 VAL H H 12 8.530 7.525 1.005 1 1 130 . 11 1 1 A 12 12 VAL HA H 12 4.260 2.897 1.363 1 1 138 . 11 1 1 A 12 12 VAL C C 12 174.900 175.224 -0.324 1 1 139 . 11 1 1 A 12 12 VAL CA C 12 60.600 62.617 -2.017 1 1 140 . 11 1 1 A 12 12 VAL CB C 12 35.400 29.418 5.982 1 1 143 . 11 1 1 A 12 12 VAL N N 12 118.400 117.949 0.451 1 1 144 . 11 1 1 A 13 13 GLU H H 13 7.430 7.368 0.062 1 1 145 . 11 1 1 A 13 13 GLU HA H 13 4.590 4.610 -0.020 1 1 150 . 11 1 1 A 13 13 GLU C C 13 173.800 174.454 -0.654 1 1 151 . 11 1 1 A 13 13 GLU CA C 13 54.800 56.224 -1.424 1 1 152 . 11 1 1 A 13 13 GLU CB C 13 33.160 31.734 1.426 1 1 154 . 11 1 1 A 13 13 GLU N N 13 120.100 123.091 -2.991 1 1 155 . 11 1 1 A 14 14 ASN H H 14 8.800 8.858 -0.058 1 1 156 . 11 1 1 A 14 14 ASN HA H 14 4.110 4.854 -0.744 1 1 161 . 11 1 1 A 14 14 ASN C C 14 176.600 176.002 0.598 1 1 162 . 11 1 1 A 14 14 ASN CA C 14 54.600 53.970 0.630 1 1 163 . 11 1 1 A 14 14 ASN CB C 14 38.900 38.597 0.303 1 1 164 . 11 1 1 A 14 14 ASN N N 14 121.500 124.271 -2.771 1 1 166 . 11 1 1 A 15 15 GLY H H 15 8.620 9.165 -0.545 1 1 167 . 11 1 1 A 15 15 GLY HA2 H 15 3.460 3.708 -0.248 1 1 168 . 11 1 1 A 15 15 GLY HA3 H 15 4.110 3.823 0.287 1 1 169 . 11 1 1 A 15 15 GLY C C 15 173.100 173.492 -0.392 1 1 170 . 11 1 1 A 15 15 GLY CA C 15 45.300 45.681 -0.381 1 1 171 . 11 1 1 A 15 15 GLY N N 15 114.900 111.564 3.336 1 1 172 . 11 1 1 A 16 16 GLN H H 16 7.280 7.755 -0.475 1 1 173 . 11 1 1 A 16 16 GLN HA H 16 4.160 4.548 -0.388 1 1 180 . 11 1 1 A 16 16 GLN C C 16 174.400 175.009 -0.609 1 1 181 . 11 1 1 A 16 16 GLN CA C 16 56.300 54.688 1.612 1 1 182 . 11 1 1 A 16 16 GLN CB C 16 30.300 29.955 0.345 1 1 184 . 11 1 1 A 16 16 GLN N N 16 121.500 120.472 1.028 1 1 186 . 11 1 1 A 17 17 TRP H H 17 8.640 8.985 -0.345 1 1 187 . 11 1 1 A 17 17 TRP HA H 17 5.400 5.451 -0.051 1 1 196 . 11 1 1 A 17 17 TRP C C 17 176.900 176.186 0.714 1 1 197 . 11 1 1 A 17 17 TRP CA C 17 56.400 56.326 0.074 1 1 198 . 11 1 1 A 17 17 TRP CB C 17 30.300 31.016 -0.716 1 1 204 . 11 1 1 A 17 17 TRP N N 17 125.500 127.264 -1.764 1 1 206 . 11 1 1 A 18 18 ALA H H 18 9.020 8.646 0.374 1 1 207 . 11 1 1 A 18 18 ALA HA H 18 4.650 4.855 -0.205 1 1 211 . 11 1 1 A 18 18 ALA C C 18 174.100 175.241 -1.141 1 1 212 . 11 1 1 A 18 18 ALA CA C 18 51.430 51.308 0.122 1 1 213 . 11 1 1 A 18 18 ALA CB C 18 22.600 23.227 -0.627 1 1 214 . 11 1 1 A 18 18 ALA N N 18 124.000 123.022 0.978 1 1 215 . 11 1 1 A 19 19 ASN H H 19 8.250 8.368 -0.118 1 1 216 . 11 1 1 A 19 19 ASN HA H 19 5.710 5.618 0.092 1 1 221 . 11 1 1 A 19 19 ASN C C 19 173.500 173.858 -0.358 1 1 222 . 11 1 1 A 19 19 ASN CA C 19 51.600 52.201 -0.601 1 1 223 . 11 1 1 A 19 19 ASN CB C 19 40.100 42.762 -2.662 1 1 224 . 11 1 1 A 19 19 ASN N N 19 116.500 115.799 0.701 1 1 226 . 11 1 1 A 20 20 LEU H H 20 9.280 8.288 0.992 1 1 227 . 11 1 1 A 20 20 LEU HA H 20 4.930 4.909 0.021 1 1 236 . 11 1 1 A 20 20 LEU C C 20 174.800 174.260 0.540 1 1 237 . 11 1 1 A 20 20 LEU CA C 20 54.200 54.167 0.033 1 1 238 . 11 1 1 A 20 20 LEU CB C 20 46.300 46.193 0.107 1 1 241 . 11 1 1 A 20 20 LEU N N 20 121.800 123.151 -1.351 1 1 242 . 11 1 1 A 21 21 LYS H H 21 8.550 8.528 0.022 1 1 243 . 11 1 1 A 21 21 LYS HA H 21 5.450 4.981 0.469 1 1 252 . 11 1 1 A 21 21 LYS C C 21 174.800 175.530 -0.730 1 1 253 . 11 1 1 A 21 21 LYS CA C 21 55.350 55.512 -0.162 1 1 254 . 11 1 1 A 21 21 LYS CB C 21 34.300 34.143 0.157 1 1 258 . 11 1 1 A 21 21 LYS N N 21 122.500 122.587 -0.087 1 1 259 . 11 1 1 A 22 22 ALA H H 22 9.090 8.496 0.594 1 1 260 . 11 1 1 A 22 22 ALA HA H 22 4.830 4.850 -0.020 1 1 264 . 11 1 1 A 22 22 ALA C C 22 173.800 175.994 -2.194 1 1 265 . 11 1 1 A 22 22 ALA CA C 22 51.300 50.924 0.376 1 1 266 . 11 1 1 A 22 22 ALA CB C 22 24.700 23.502 1.198 1 1 267 . 11 1 1 A 22 22 ALA N N 22 123.200 122.026 1.174 1 1 268 . 11 1 1 A 23 23 LYS H H 23 9.190 8.016 1.174 1 1 269 . 11 1 1 A 23 23 LYS HA H 23 5.080 4.869 0.211 1 1 276 . 11 1 1 A 23 23 LYS C C 23 176.900 175.886 1.014 1 1 277 . 11 1 1 A 23 23 LYS CA C 23 54.100 55.386 -1.286 1 1 278 . 11 1 1 A 23 23 LYS CB C 23 35.800 34.009 1.791 1 1 281 . 11 1 1 A 23 23 LYS N N 23 121.100 117.847 3.253 1 1 282 . 11 1 1 A 24 24 VAL H H 24 8.620 8.605 0.015 1 1 283 . 11 1 1 A 24 24 VAL HA H 24 4.110 4.220 -0.110 1 1 291 . 11 1 1 A 24 24 VAL C C 24 175.800 175.647 0.153 1 1 292 . 11 1 1 A 24 24 VAL CA C 24 62.750 63.083 -0.333 1 1 293 . 11 1 1 A 24 24 VAL CB C 24 30.500 31.155 -0.655 1 1 296 . 11 1 1 A 24 24 VAL N N 24 125.600 123.182 2.418 1 1 297 . 11 1 1 A 25 25 ILE H H 25 8.430 8.536 -0.106 1 1 298 . 11 1 1 A 25 25 ILE HA H 25 4.210 4.094 0.116 1 1 308 . 11 1 1 A 25 25 ILE C C 25 176.700 175.822 0.878 1 1 309 . 11 1 1 A 25 25 ILE CA C 25 62.100 62.788 -0.688 1 1 310 . 11 1 1 A 25 25 ILE CB C 25 38.300 38.842 -0.542 1 1 314 . 11 1 1 A 25 25 ILE N N 25 127.400 129.308 -1.908 1 1 315 . 11 1 1 A 26 26 GLN H H 26 7.590 7.609 -0.019 1 1 316 . 11 1 1 A 26 26 GLN HA H 26 4.560 5.007 -0.447 1 1 323 . 11 1 1 A 26 26 GLN C C 26 173.700 173.657 0.043 1 1 324 . 11 1 1 A 26 26 GLN CA C 26 55.400 55.477 -0.077 1 1 325 . 11 1 1 A 26 26 GLN CB C 26 34.100 31.908 2.192 1 1 327 . 11 1 1 A 26 26 GLN N N 26 117.100 118.042 -0.942 1 1 329 . 11 1 1 A 27 27 LEU H H 27 8.470 8.265 0.205 1 1 330 . 11 1 1 A 27 27 LEU HA H 27 4.710 5.077 -0.367 1 1 340 . 11 1 1 A 27 27 LEU C C 27 176.200 175.501 0.699 1 1 341 . 11 1 1 A 27 27 LEU CA C 27 54.100 53.712 0.388 1 1 342 . 11 1 1 A 27 27 LEU CB C 27 44.000 46.684 -2.684 1 1 346 . 11 1 1 A 27 27 LEU N N 27 123.600 123.535 0.065 1 1 347 . 11 1 1 A 28 28 TRP H H 28 8.850 8.503 0.347 1 1 348 . 11 1 1 A 28 28 TRP HA H 28 5.180 5.122 0.058 1 1 357 . 11 1 1 A 28 28 TRP C C 28 175.900 174.675 1.225 1 1 358 . 11 1 1 A 28 28 TRP CA C 28 53.300 56.889 -3.589 1 1 359 . 11 1 1 A 28 28 TRP CB C 28 31.400 32.842 -1.442 1 1 365 . 11 1 1 A 28 28 TRP N N 28 123.900 125.408 -1.508 1 1 367 . 11 1 1 A 29 29 GLU H H 29 8.620 8.182 0.438 1 1 368 . 11 1 1 A 29 29 GLU HA H 29 4.250 4.741 -0.491 1 1 373 . 11 1 1 A 29 29 GLU C C 29 175.700 175.716 -0.016 1 1 374 . 11 1 1 A 29 29 GLU CA C 29 56.800 55.187 1.613 1 1 375 . 11 1 1 A 29 29 GLU CB C 29 30.000 30.385 -0.385 1 1 377 . 11 1 1 A 29 29 GLU N N 29 120.700 124.727 -4.027 1 1 378 . 11 1 1 A 30 30 ASN H H 30 8.720 7.913 0.807 1 1 379 . 11 1 1 A 30 30 ASN HA H 30 4.870 5.042 -0.172 1 1 384 . 11 1 1 A 30 30 ASN C C 30 174.800 175.190 -0.390 1 1 385 . 11 1 1 A 30 30 ASN CA C 30 53.800 51.483 2.317 1 1 386 . 11 1 1 A 30 30 ASN CB C 30 41.200 39.653 1.547 1 1 387 . 11 1 1 A 30 30 ASN N N 30 121.400 121.229 0.171 1 1 389 . 11 1 1 A 31 31 THR H H 31 8.300 8.463 -0.163 1 1 390 . 11 1 1 A 31 31 THR HA H 31 4.430 4.367 0.063 1 1 395 . 11 1 1 A 31 31 THR C C 31 174.200 174.165 0.035 1 1 396 . 11 1 1 A 31 31 THR CA C 31 61.000 62.108 -1.108 1 1 397 . 11 1 1 A 31 31 THR CB C 31 69.600 69.424 0.176 1 1 399 . 11 1 1 A 31 31 THR N N 31 114.200 114.202 -0.002 1 1 400 . 11 1 1 A 32 32 HIS H H 32 7.840 7.601 0.239 1 1 401 . 11 1 1 A 32 32 HIS HA H 32 4.560 4.766 -0.206 1 1 405 . 11 1 1 A 32 32 HIS C C 32 177.300 175.703 1.597 1 1 406 . 11 1 1 A 32 32 HIS CA C 32 57.600 55.424 2.176 1 1 407 . 11 1 1 A 32 32 HIS CB C 32 32.000 31.196 0.804 1 1 409 . 11 1 1 A 32 32 HIS N N 32 122.500 121.098 1.402 1 1 410 . 11 1 1 A 33 33 GLU H H 33 9.020 9.336 -0.316 1 1 411 . 11 1 1 A 33 33 GLU HA H 33 4.120 4.048 0.072 1 1 416 . 11 1 1 A 33 33 GLU C C 33 177.100 178.715 -1.615 1 1 417 . 11 1 1 A 33 33 GLU CA C 33 59.000 59.708 -0.708 1 1 418 . 11 1 1 A 33 33 GLU CB C 33 29.400 29.287 0.113 1 1 420 . 11 1 1 A 33 33 GLU N N 33 127.300 124.070 3.230 1 1 421 . 11 1 1 A 34 34 SER H H 34 9.430 8.031 1.399 1 1 422 . 11 1 1 A 34 34 SER HA H 34 4.580 4.440 0.140 1 1 425 . 11 1 1 A 34 34 SER C C 34 174.800 173.778 1.022 1 1 426 . 11 1 1 A 34 34 SER CA C 34 59.500 61.444 -1.944 1 1 427 . 11 1 1 A 34 34 SER CB C 34 63.600 63.128 0.472 1 1 428 . 11 1 1 A 34 34 SER N N 34 113.400 115.161 -1.761 1 1 429 . 11 1 1 A 35 35 ILE H H 35 7.920 8.049 -0.129 1 1 430 . 11 1 1 A 35 35 ILE HA H 35 4.080 4.035 0.045 1 1 440 . 11 1 1 A 35 35 ILE C C 35 174.300 175.568 -1.268 1 1 441 . 11 1 1 A 35 35 ILE CA C 35 61.600 59.482 2.118 1 1 442 . 11 1 1 A 35 35 ILE CB C 35 40.700 39.515 1.185 1 1 446 . 11 1 1 A 35 35 ILE N N 35 125.800 118.719 7.081 1 1 447 . 11 1 1 A 36 36 SER H H 36 9.010 9.076 -0.066 1 1 448 . 11 1 1 A 36 36 SER HA H 36 4.480 4.500 -0.020 1 1 451 . 11 1 1 A 36 36 SER C C 36 174.900 174.131 0.769 1 1 452 . 11 1 1 A 36 36 SER CA C 36 58.800 59.194 -0.394 1 1 453 . 11 1 1 A 36 36 SER CB C 36 64.300 63.276 1.024 1 1 454 . 11 1 1 A 36 36 SER N N 36 119.100 120.126 -1.026 1 1 455 . 11 1 1 A 37 37 GLN H H 37 7.390 7.197 0.193 1 1 456 . 11 1 1 A 37 37 GLN HA H 37 4.690 4.773 -0.083 1 1 463 . 11 1 1 A 37 37 GLN C C 37 171.800 173.387 -1.587 1 1 464 . 11 1 1 A 37 37 GLN CA C 37 54.900 54.961 -0.061 1 1 465 . 11 1 1 A 37 37 GLN CB C 37 36.200 33.287 2.913 1 1 466 . 11 1 1 A 37 37 GLN N N 37 116.500 117.734 -1.234 1 1 468 . 11 1 1 A 38 38 VAL H H 38 8.640 8.764 -0.124 1 1 469 . 11 1 1 A 38 38 VAL HA H 38 4.160 4.665 -0.505 1 1 477 . 11 1 1 A 38 38 VAL C C 38 172.400 174.373 -1.973 1 1 478 . 11 1 1 A 38 38 VAL CA C 38 58.500 59.418 -0.918 1 1 479 . 11 1 1 A 38 38 VAL CB C 38 35.300 35.538 -0.238 1 1 482 . 11 1 1 A 38 38 VAL N N 38 120.400 120.359 0.041 1 1 483 . 11 1 1 A 39 39 GLY H H 39 6.440 7.418 -0.978 1 1 484 . 11 1 1 A 39 39 GLY HA2 H 39 3.690 4.356 -0.666 1 1 485 . 11 1 1 A 39 39 GLY HA3 H 39 1.940 4.400 -2.460 1 1 486 . 11 1 1 A 39 39 GLY C C 39 170.600 171.853 -1.253 1 1 487 . 11 1 1 A 39 39 GLY CA C 39 45.300 45.752 -0.452 1 1 488 . 11 1 1 A 39 39 GLY N N 39 109.600 113.308 -3.708 1 1 489 . 11 1 1 A 40 40 LEU H H 40 8.380 8.427 -0.047 1 1 490 . 11 1 1 A 40 40 LEU HA H 40 4.980 5.367 -0.387 1 1 499 . 11 1 1 A 40 40 LEU C C 40 176.000 174.636 1.364 1 1 500 . 11 1 1 A 40 40 LEU CA C 40 53.200 53.493 -0.293 1 1 501 . 11 1 1 A 40 40 LEU CB C 40 47.400 45.960 1.440 1 1 504 . 11 1 1 A 40 40 LEU N N 40 119.500 121.574 -2.074 1 1 505 . 11 1 1 A 41 41 LEU H H 41 9.410 9.339 0.071 1 1 506 . 11 1 1 A 41 41 LEU HA H 41 5.320 5.229 0.091 1 1 516 . 11 1 1 A 41 41 LEU C C 41 176.700 175.745 0.955 1 1 517 . 11 1 1 A 41 41 LEU CA C 41 52.400 52.917 -0.517 1 1 518 . 11 1 1 A 41 41 LEU CB C 41 44.900 44.267 0.633 1 1 522 . 11 1 1 A 41 41 LEU N N 41 122.700 126.816 -4.116 1 1 523 . 11 1 1 A 42 42 GLY H H 42 9.210 9.801 -0.591 1 1 524 . 11 1 1 A 42 42 GLY HA2 H 42 3.550 4.063 -0.513 1 1 525 . 11 1 1 A 42 42 GLY HA3 H 42 5.350 4.063 1.287 1 1 526 . 11 1 1 A 42 42 GLY C C 42 171.200 172.636 -1.436 1 1 527 . 11 1 1 A 42 42 GLY CA C 42 45.700 45.623 0.077 1 1 528 . 11 1 1 A 42 42 GLY N N 42 104.600 112.573 -7.973 1 1 529 . 11 1 1 A 43 43 ASP H H 43 8.960 8.944 0.016 1 1 530 . 11 1 1 A 43 43 ASP HA H 43 4.640 4.897 -0.257 1 1 533 . 11 1 1 A 43 43 ASP C C 43 175.600 177.406 -1.806 1 1 534 . 11 1 1 A 43 43 ASP CA C 43 52.700 53.229 -0.529 1 1 535 . 11 1 1 A 43 43 ASP CB C 43 41.600 42.517 -0.917 1 1 536 . 11 1 1 A 43 43 ASP N N 43 121.900 126.679 -4.779 1 1 537 . 11 1 1 A 44 44 GLU H H 44 10.150 9.066 1.084 1 1 538 . 11 1 1 A 44 44 GLU HA H 44 4.380 4.118 0.262 1 1 543 . 11 1 1 A 44 44 GLU C C 44 176.900 176.889 0.011 1 1 544 . 11 1 1 A 44 44 GLU CA C 44 59.300 58.660 0.640 1 1 545 . 11 1 1 A 44 44 GLU CB C 44 28.100 29.088 -0.988 1 1 547 . 11 1 1 A 44 44 GLU N N 44 118.000 121.219 -3.219 1 1 548 . 11 1 1 A 45 45 THR H H 45 9.600 7.741 1.859 1 1 549 . 11 1 1 A 45 45 THR HA H 45 4.580 4.508 0.072 1 1 554 . 11 1 1 A 45 45 THR C C 45 174.800 173.986 0.814 1 1 555 . 11 1 1 A 45 45 THR CA C 45 61.700 62.294 -0.594 1 1 556 . 11 1 1 A 45 45 THR CB C 45 70.000 69.581 0.419 1 1 558 . 11 1 1 A 45 45 THR N N 45 112.000 109.384 2.616 1 1 559 . 11 1 1 A 46 46 GLY H H 46 7.640 7.316 0.324 1 1 560 . 11 1 1 A 46 46 GLY HA2 H 46 3.830 4.124 -0.294 1 1 561 . 11 1 1 A 46 46 GLY HA3 H 46 4.000 4.125 -0.125 1 1 562 . 11 1 1 A 46 46 GLY C C 46 169.400 171.552 -2.152 1 1 563 . 11 1 1 A 46 46 GLY CA C 46 46.000 45.435 0.565 1 1 564 . 11 1 1 A 46 46 GLY N N 46 110.600 107.771 2.829 1 1 565 . 11 1 1 A 47 47 ILE H H 47 8.000 8.510 -0.510 1 1 566 . 11 1 1 A 47 47 ILE HA H 47 5.450 5.312 0.138 1 1 576 . 11 1 1 A 47 47 ILE C C 47 175.200 174.251 0.949 1 1 577 . 11 1 1 A 47 47 ILE CA C 47 59.100 58.607 0.493 1 1 578 . 11 1 1 A 47 47 ILE CB C 47 42.400 42.474 -0.074 1 1 582 . 11 1 1 A 47 47 ILE N N 47 113.900 118.777 -4.877 1 1 583 . 11 1 1 A 48 48 ILE H H 48 9.340 8.355 0.985 1 1 584 . 11 1 1 A 48 48 ILE HA H 48 4.640 4.721 -0.081 1 1 594 . 11 1 1 A 48 48 ILE C C 48 171.500 173.813 -2.313 1 1 595 . 11 1 1 A 48 48 ILE CA C 48 60.600 59.347 1.253 1 1 596 . 11 1 1 A 48 48 ILE CB C 48 42.000 41.447 0.553 1 1 600 . 11 1 1 A 48 48 ILE N N 48 123.600 122.235 1.365 1 1 601 . 11 1 1 A 49 49 LYS H H 49 8.350 8.647 -0.297 1 1 602 . 11 1 1 A 49 49 LYS HA H 49 4.820 5.179 -0.359 1 1 611 . 11 1 1 A 49 49 LYS C C 49 174.700 176.446 -1.746 1 1 612 . 11 1 1 A 49 49 LYS CA C 49 56.400 55.368 1.032 1 1 613 . 11 1 1 A 49 49 LYS CB C 49 33.800 34.788 -0.988 1 1 617 . 11 1 1 A 49 49 LYS N N 49 129.100 127.299 1.801 1 1 618 . 11 1 1 A 50 50 PHE H H 50 8.570 8.699 -0.129 1 1 619 . 11 1 1 A 50 50 PHE HA H 50 5.820 5.525 0.295 1 1 627 . 11 1 1 A 50 50 PHE C C 50 172.100 172.350 -0.250 1 1 628 . 11 1 1 A 50 50 PHE CA C 50 54.800 55.872 -1.072 1 1 629 . 11 1 1 A 50 50 PHE CB C 50 43.900 42.530 1.370 1 1 635 . 11 1 1 A 50 50 PHE N N 50 122.700 118.384 4.316 1 1 636 . 11 1 1 A 51 51 THR H H 51 8.190 8.889 -0.699 1 1 637 . 11 1 1 A 51 51 THR HA H 51 4.320 4.976 -0.656 1 1 642 . 11 1 1 A 51 51 THR C C 51 172.900 172.648 0.252 1 1 643 . 11 1 1 A 51 51 THR CA C 51 61.700 59.496 2.204 1 1 644 . 11 1 1 A 51 51 THR CB C 51 72.500 70.954 1.546 1 1 646 . 11 1 1 A 51 51 THR N N 51 114.400 114.235 0.165 1 1 647 . 11 1 1 A 52 52 ILE H H 52 8.880 9.126 -0.246 1 1 648 . 11 1 1 A 52 52 ILE HA H 52 4.650 4.692 -0.042 1 1 658 . 11 1 1 A 52 52 ILE C C 52 176.000 175.172 0.828 1 1 659 . 11 1 1 A 52 52 ILE CA C 52 60.500 60.353 0.147 1 1 660 . 11 1 1 A 52 52 ILE CB C 52 38.900 39.483 -0.583 1 1 664 . 11 1 1 A 52 52 ILE N N 52 123.400 127.460 -4.060 1 1 665 . 11 1 1 A 53 53 TRP H H 53 8.020 8.802 -0.782 1 1 666 . 11 1 1 A 53 53 TRP HA H 53 4.740 4.851 -0.111 1 1 675 . 11 1 1 A 53 53 TRP C C 53 177.500 177.406 0.094 1 1 676 . 11 1 1 A 53 53 TRP CA C 53 57.700 57.157 0.543 1 1 677 . 11 1 1 A 53 53 TRP CB C 53 30.400 30.429 -0.029 1 1 683 . 11 1 1 A 53 53 TRP N N 53 129.500 128.731 0.769 1 1 685 . 11 1 1 A 54 54 LYS H H 54 8.980 9.163 -0.183 1 1 686 . 11 1 1 A 54 54 LYS HA H 54 4.100 4.124 -0.024 1 1 695 . 11 1 1 A 54 54 LYS C C 54 177.700 178.310 -0.610 1 1 696 . 11 1 1 A 54 54 LYS CA C 54 59.400 59.365 0.035 1 1 697 . 11 1 1 A 54 54 LYS CB C 54 32.400 32.127 0.273 1 1 701 . 11 1 1 A 54 54 LYS N N 54 125.500 123.790 1.710 1 1 702 . 11 1 1 A 55 55 ASN H H 55 8.600 8.278 0.322 1 1 703 . 11 1 1 A 55 55 ASN HA H 55 4.510 4.685 -0.175 1 1 708 . 11 1 1 A 55 55 ASN C C 55 175.300 176.957 -1.657 1 1 709 . 11 1 1 A 55 55 ASN CA C 55 53.700 55.540 -1.840 1 1 710 . 11 1 1 A 55 55 ASN CB C 55 37.100 38.118 -1.018 1 1 711 . 11 1 1 A 55 55 ASN N N 55 115.400 116.597 -1.197 1 1 713 . 11 1 1 A 56 56 ALA H H 56 7.630 8.277 -0.647 1 1 714 . 11 1 1 A 56 56 ALA HA H 56 3.970 4.344 -0.374 1 1 718 . 11 1 1 A 56 56 ALA C C 56 176.100 177.150 -1.050 1 1 719 . 11 1 1 A 56 56 ALA CA C 56 53.500 53.468 0.032 1 1 720 . 11 1 1 A 56 56 ALA CB C 56 18.400 19.778 -1.378 1 1 721 . 11 1 1 A 56 56 ALA N N 56 121.200 121.070 0.130 1 1 722 . 11 1 1 A 57 57 GLU H H 57 7.880 8.022 -0.142 1 1 723 . 11 1 1 A 57 57 GLU HA H 57 3.940 3.852 0.088 1 1 728 . 11 1 1 A 57 57 GLU C C 57 175.400 174.966 0.434 1 1 729 . 11 1 1 A 57 57 GLU CA C 57 56.700 57.314 -0.614 1 1 730 . 11 1 1 A 57 57 GLU CB C 57 27.300 27.241 0.059 1 1 732 . 11 1 1 A 57 57 GLU N N 57 112.500 114.438 -1.938 1 1 733 . 11 1 1 A 58 58 LEU H H 58 7.910 7.799 0.111 1 1 734 . 11 1 1 A 58 58 LEU HA H 58 4.740 4.784 -0.044 1 1 744 . 11 1 1 A 58 58 LEU C C 58 175.400 174.479 0.921 1 1 745 . 11 1 1 A 58 58 LEU CA C 58 52.300 52.037 0.263 1 1 746 . 11 1 1 A 58 58 LEU CB C 58 42.900 42.261 0.639 1 1 750 . 11 1 1 A 58 58 LEU N N 58 120.000 120.232 -0.232 1 1 751 . 11 1 1 A 59 59 PRO HA H 59 4.380 4.544 -0.164 1 1 758 . 11 1 1 A 59 59 PRO CA C 59 62.200 62.605 -0.405 1 1 759 . 11 1 1 A 59 59 PRO CB C 59 32.000 31.956 0.044 1 1 762 . 11 1 1 A 60 60 LEU H H 60 7.860 8.273 -0.413 1 1 763 . 11 1 1 A 60 60 LEU HA H 60 3.920 4.409 -0.489 1 1 773 . 11 1 1 A 60 60 LEU C C 60 178.300 177.288 1.012 1 1 774 . 11 1 1 A 60 60 LEU CA C 60 55.000 54.754 0.246 1 1 775 . 11 1 1 A 60 60 LEU CB C 60 41.800 42.562 -0.762 1 1 779 . 11 1 1 A 60 60 LEU N N 60 117.500 123.430 -5.930 1 1 780 . 11 1 1 A 61 61 LEU H H 61 9.680 8.423 1.257 1 1 781 . 11 1 1 A 61 61 LEU HA H 61 4.040 4.160 -0.120 1 1 791 . 11 1 1 A 61 61 LEU C C 61 177.300 176.327 0.973 1 1 792 . 11 1 1 A 61 61 LEU CA C 61 54.100 54.310 -0.210 1 1 793 . 11 1 1 A 61 61 LEU CB C 61 41.300 42.415 -1.115 1 1 797 . 11 1 1 A 61 61 LEU N N 61 122.300 124.727 -2.427 1 1 798 . 11 1 1 A 62 62 GLU H H 62 8.390 9.150 -0.760 1 1 799 . 11 1 1 A 62 62 GLU HA H 62 4.430 4.981 -0.551 1 1 804 . 11 1 1 A 62 62 GLU C C 62 175.600 176.404 -0.804 1 1 805 . 11 1 1 A 62 62 GLU CA C 62 54.800 54.957 -0.157 1 1 806 . 11 1 1 A 62 62 GLU CB C 62 32.200 32.331 -0.131 1 1 808 . 11 1 1 A 62 62 GLU N N 62 120.500 122.865 -2.365 1 1 809 . 11 1 1 A 63 63 GLN H H 63 8.780 8.841 -0.061 1 1 810 . 11 1 1 A 63 63 GLN HA H 63 3.700 4.014 -0.314 1 1 817 . 11 1 1 A 63 63 GLN C C 63 176.600 177.051 -0.451 1 1 818 . 11 1 1 A 63 63 GLN CA C 63 58.100 58.010 0.090 1 1 819 . 11 1 1 A 63 63 GLN CB C 63 28.300 28.558 -0.258 1 1 821 . 11 1 1 A 63 63 GLN N N 63 123.300 125.726 -2.426 1 1 823 . 11 1 1 A 64 64 GLY H H 64 9.140 9.012 0.128 1 1 824 . 11 1 1 A 64 64 GLY HA2 H 64 3.580 3.991 -0.411 1 1 825 . 11 1 1 A 64 64 GLY HA3 H 64 4.390 3.993 0.397 1 1 826 . 11 1 1 A 64 64 GLY C C 64 173.900 173.570 0.330 1 1 827 . 11 1 1 A 64 64 GLY CA C 64 45.300 45.208 0.092 1 1 828 . 11 1 1 A 64 64 GLY N N 64 115.100 111.911 3.189 1 1 829 . 11 1 1 A 65 65 GLU H H 65 7.590 7.773 -0.183 1 1 830 . 11 1 1 A 65 65 GLU HA H 65 4.490 4.498 -0.008 1 1 835 . 11 1 1 A 65 65 GLU C C 65 174.200 176.211 -2.011 1 1 836 . 11 1 1 A 65 65 GLU CA C 65 54.900 55.301 -0.401 1 1 837 . 11 1 1 A 65 65 GLU CB C 65 30.500 31.240 -0.740 1 1 839 . 11 1 1 A 65 65 GLU N N 65 120.300 122.232 -1.932 1 1 840 . 11 1 1 A 66 66 SER H H 66 8.700 8.177 0.523 1 1 841 . 11 1 1 A 66 66 SER HA H 66 5.330 4.935 0.395 1 1 844 . 11 1 1 A 66 66 SER C C 66 174.100 173.170 0.930 1 1 845 . 11 1 1 A 66 66 SER CA C 66 58.300 57.002 1.298 1 1 846 . 11 1 1 A 66 66 SER CB C 66 65.500 64.719 0.781 1 1 847 . 11 1 1 A 66 66 SER N N 66 116.500 117.826 -1.326 1 1 848 . 11 1 1 A 67 67 TYR H H 67 9.090 8.644 0.446 1 1 849 . 11 1 1 A 67 67 TYR HA H 67 5.110 5.000 0.110 1 1 856 . 11 1 1 A 67 67 TYR C C 67 173.900 174.455 -0.555 1 1 857 . 11 1 1 A 67 67 TYR CA C 67 57.500 56.360 1.140 1 1 858 . 11 1 1 A 67 67 TYR CB C 67 43.900 42.811 1.089 1 1 863 . 11 1 1 A 67 67 TYR N N 67 119.000 120.211 -1.211 1 1 864 . 11 1 1 A 68 68 LEU H H 68 9.230 9.356 -0.126 1 1 865 . 11 1 1 A 68 68 LEU HA H 68 5.000 5.061 -0.061 1 1 875 . 11 1 1 A 68 68 LEU C C 68 175.300 174.472 0.828 1 1 876 . 11 1 1 A 68 68 LEU CA C 68 54.300 53.925 0.375 1 1 877 . 11 1 1 A 68 68 LEU CB C 68 43.800 45.066 -1.266 1 1 881 . 11 1 1 A 68 68 LEU N N 68 121.800 124.091 -2.291 1 1 882 . 11 1 1 A 69 69 LEU H H 69 9.460 8.838 0.622 1 1 883 . 11 1 1 A 69 69 LEU HA H 69 5.010 4.987 0.023 1 1 893 . 11 1 1 A 69 69 LEU C C 69 175.000 175.669 -0.669 1 1 894 . 11 1 1 A 69 69 LEU CA C 69 54.100 53.785 0.315 1 1 895 . 11 1 1 A 69 69 LEU CB C 69 42.300 42.797 -0.497 1 1 899 . 11 1 1 A 69 69 LEU N N 69 128.500 128.373 0.127 1 1 900 . 11 1 1 A 70 70 ARG H H 70 8.910 8.499 0.411 1 1 901 . 11 1 1 A 70 70 ARG HA H 70 4.850 4.826 0.024 1 1 909 . 11 1 1 A 70 70 ARG C C 70 176.400 176.628 -0.228 1 1 910 . 11 1 1 A 70 70 ARG CA C 70 54.900 54.650 0.250 1 1 911 . 11 1 1 A 70 70 ARG CB C 70 32.300 32.979 -0.679 1 1 914 . 11 1 1 A 70 70 ARG N N 70 121.500 124.393 -2.893 1 1 916 . 11 1 1 A 71 71 SER H H 71 8.800 9.548 -0.748 1 1 917 . 11 1 1 A 71 71 SER HA H 71 3.870 4.211 -0.341 1 1 920 . 11 1 1 A 71 71 SER C C 71 175.800 173.424 2.376 1 1 921 . 11 1 1 A 71 71 SER CA C 71 58.600 59.154 -0.554 1 1 922 . 11 1 1 A 71 71 SER CB C 71 62.000 61.753 0.247 1 1 923 . 11 1 1 A 71 71 SER N N 71 114.400 117.776 -3.376 1 1 924 . 11 1 1 A 72 72 VAL H H 72 8.750 7.467 1.283 1 1 925 . 11 1 1 A 72 72 VAL HA H 72 4.610 5.042 -0.432 1 1 933 . 11 1 1 A 72 72 VAL C C 72 173.300 173.981 -0.681 1 1 934 . 11 1 1 A 72 72 VAL CA C 72 59.300 59.587 -0.287 1 1 935 . 11 1 1 A 72 72 VAL CB C 72 31.900 34.689 -2.789 1 1 938 . 11 1 1 A 72 72 VAL N N 72 115.500 115.344 0.156 1 1 939 . 11 1 1 A 73 73 VAL H H 73 7.940 8.742 -0.802 1 1 940 . 11 1 1 A 73 73 VAL HA H 73 4.760 4.615 0.145 1 1 948 . 11 1 1 A 73 73 VAL C C 73 174.300 173.456 0.844 1 1 949 . 11 1 1 A 73 73 VAL CA C 73 58.800 59.140 -0.340 1 1 950 . 11 1 1 A 73 73 VAL CB C 73 34.500 34.983 -0.483 1 1 953 . 11 1 1 A 73 73 VAL N N 73 118.200 120.894 -2.694 1 1 954 . 11 1 1 A 74 74 VAL H H 74 8.430 8.087 0.343 1 1 955 . 11 1 1 A 74 74 VAL HA H 74 4.560 4.548 0.012 1 1 963 . 11 1 1 A 74 74 VAL C C 74 177.300 175.865 1.435 1 1 964 . 11 1 1 A 74 74 VAL CA C 74 62.100 60.955 1.145 1 1 965 . 11 1 1 A 74 74 VAL CB C 74 32.700 33.097 -0.397 1 1 968 . 11 1 1 A 74 74 VAL N N 74 127.800 125.560 2.240 1 1 969 . 11 1 1 A 75 75 GLY H H 75 9.040 9.795 -0.755 1 1 970 . 11 1 1 A 75 75 GLY HA2 H 75 3.750 4.284 -0.534 1 1 971 . 11 1 1 A 75 75 GLY HA3 H 75 5.120 4.327 0.793 1 1 972 . 11 1 1 A 75 75 GLY C C 75 172.500 172.035 0.465 1 1 973 . 11 1 1 A 75 75 GLY CA C 75 43.700 44.303 -0.603 1 1 974 . 11 1 1 A 75 75 GLY N N 75 116.000 115.648 0.352 1 1 975 . 11 1 1 A 76 76 GLU H H 76 8.380 8.624 -0.244 1 1 976 . 11 1 1 A 76 76 GLU HA H 76 4.690 4.443 0.247 1 1 981 . 11 1 1 A 76 76 GLU C C 76 176.000 174.782 1.218 1 1 982 . 11 1 1 A 76 76 GLU CA C 76 56.100 55.218 0.882 1 1 983 . 11 1 1 A 76 76 GLU CB C 76 32.000 30.162 1.838 1 1 985 . 11 1 1 A 76 76 GLU N N 76 120.200 122.602 -2.402 1 1 986 . 11 1 1 A 77 77 TYR H H 77 8.430 8.476 -0.046 1 1 987 . 11 1 1 A 77 77 TYR HA H 77 4.570 4.908 -0.338 1 1 994 . 11 1 1 A 77 77 TYR C C 77 174.200 175.484 -1.284 1 1 995 . 11 1 1 A 77 77 TYR CA C 77 56.500 56.884 -0.384 1 1 996 . 11 1 1 A 77 77 TYR CB C 77 39.800 38.980 0.820 1 1 1001 . 11 1 1 A 77 77 TYR N N 77 124.400 129.294 -4.894 1 1 1002 . 11 1 1 A 78 78 ASN H H 78 9.100 8.712 0.388 1 1 1003 . 11 1 1 A 78 78 ASN HA H 78 4.000 4.440 -0.440 1 1 1008 . 11 1 1 A 78 78 ASN C C 78 177.300 174.812 2.488 1 1 1009 . 11 1 1 A 78 78 ASN CA C 78 54.700 54.926 -0.226 1 1 1010 . 11 1 1 A 78 78 ASN CB C 78 36.600 37.556 -0.956 1 1 1011 . 11 1 1 A 78 78 ASN N N 78 125.800 126.371 -0.571 1 1 1013 . 11 1 1 A 79 79 ASP H H 79 8.640 8.406 0.234 1 1 1014 . 11 1 1 A 79 79 ASP HA H 79 4.240 4.564 -0.324 1 1 1017 . 11 1 1 A 79 79 ASP C C 79 174.600 175.262 -0.662 1 1 1018 . 11 1 1 A 79 79 ASP CA C 79 54.900 54.791 0.109 1 1 1019 . 11 1 1 A 79 79 ASP CB C 79 39.700 41.798 -2.098 1 1 1020 . 11 1 1 A 79 79 ASP N N 79 115.700 125.453 -9.753 1 1 1021 . 11 1 1 A 80 80 ARG H H 80 7.880 7.496 0.384 1 1 1022 . 11 1 1 A 80 80 ARG HA H 80 4.370 4.776 -0.406 1 1 1030 . 11 1 1 A 80 80 ARG C C 80 175.000 174.916 0.084 1 1 1031 . 11 1 1 A 80 80 ARG CA C 80 54.200 54.651 -0.451 1 1 1032 . 11 1 1 A 80 80 ARG CB C 80 31.800 32.422 -0.622 1 1 1035 . 11 1 1 A 80 80 ARG N N 80 119.700 121.216 -1.516 1 1 1037 . 11 1 1 A 81 81 PHE H H 81 8.410 9.081 -0.671 1 1 1038 . 11 1 1 A 81 81 PHE HA H 81 5.420 5.152 0.268 1 1 1046 . 11 1 1 A 81 81 PHE C C 81 174.400 174.755 -0.355 1 1 1047 . 11 1 1 A 81 81 PHE CA C 81 57.200 57.012 0.188 1 1 1048 . 11 1 1 A 81 81 PHE CB C 81 42.000 42.006 -0.006 1 1 1054 . 11 1 1 A 81 81 PHE N N 81 120.700 122.502 -1.802 1 1 1055 . 11 1 1 A 82 82 GLN H H 82 8.950 8.609 0.341 1 1 1056 . 11 1 1 A 82 82 GLN HA H 82 5.110 4.847 0.263 1 1 1063 . 11 1 1 A 82 82 GLN C C 82 172.400 173.913 -1.513 1 1 1064 . 11 1 1 A 82 82 GLN CA C 82 53.500 54.739 -1.239 1 1 1065 . 11 1 1 A 82 82 GLN CB C 82 31.900 32.776 -0.876 1 1 1067 . 11 1 1 A 82 82 GLN N N 82 115.000 120.644 -5.644 1 1 1069 . 11 1 1 A 83 83 VAL H H 83 9.090 8.540 0.550 1 1 1070 . 11 1 1 A 83 83 VAL HA H 83 4.380 4.709 -0.329 1 1 1078 . 11 1 1 A 83 83 VAL C C 83 174.600 175.203 -0.603 1 1 1079 . 11 1 1 A 83 83 VAL CA C 83 61.600 61.823 -0.223 1 1 1080 . 11 1 1 A 83 83 VAL CB C 83 33.500 32.750 0.750 1 1 1083 . 11 1 1 A 83 83 VAL N N 83 118.900 126.792 -7.892 1 1 1084 . 11 1 1 A 84 84 GLN H H 84 9.280 8.577 0.703 1 1 1085 . 11 1 1 A 84 84 GLN HA H 84 5.020 5.035 -0.015 1 1 1092 . 11 1 1 A 84 84 GLN C C 84 174.500 174.791 -0.291 1 1 1093 . 11 1 1 A 84 84 GLN CA C 84 54.400 54.955 -0.555 1 1 1094 . 11 1 1 A 84 84 GLN CB C 84 29.900 30.612 -0.712 1 1 1096 . 11 1 1 A 84 84 GLN N N 84 124.800 127.357 -2.557 1 1 1098 . 11 1 1 A 85 85 VAL H H 85 8.680 8.982 -0.302 1 1 1099 . 11 1 1 A 85 85 VAL HA H 85 4.300 4.822 -0.522 1 1 1107 . 11 1 1 A 85 85 VAL C C 85 174.500 175.601 -1.101 1 1 1108 . 11 1 1 A 85 85 VAL CA C 85 61.700 61.362 0.338 1 1 1109 . 11 1 1 A 85 85 VAL CB C 85 31.700 33.079 -1.379 1 1 1112 . 11 1 1 A 85 85 VAL N N 85 125.500 125.718 -0.218 1 1 1113 . 11 1 1 A 86 86 ASN H H 86 8.740 8.597 0.143 1 1 1114 . 11 1 1 A 86 86 ASN HA H 86 5.240 5.218 0.022 1 1 1119 . 11 1 1 A 86 86 ASN C C 86 175.300 175.807 -0.507 1 1 1120 . 11 1 1 A 86 86 ASN CA C 86 51.800 51.285 0.515 1 1 1121 . 11 1 1 A 86 86 ASN CB C 86 42.400 41.555 0.845 1 1 1122 . 11 1 1 A 86 86 ASN N N 86 124.000 125.719 -1.719 1 1 1124 . 11 1 1 A 87 87 LYS H H 87 8.530 8.686 -0.156 1 1 1125 . 11 1 1 A 87 87 LYS HA H 87 4.210 4.023 0.187 1 1 1134 . 11 1 1 A 87 87 LYS C C 87 176.700 177.634 -0.934 1 1 1135 . 11 1 1 A 87 87 LYS CA C 87 59.000 59.818 -0.818 1 1 1136 . 11 1 1 A 87 87 LYS CB C 87 32.400 32.164 0.236 1 1 1140 . 11 1 1 A 87 87 LYS N N 87 117.600 122.944 -5.344 1 1 1141 . 11 1 1 A 88 88 ASN H H 88 8.600 8.225 0.375 1 1 1142 . 11 1 1 A 88 88 ASN HA H 88 4.810 4.572 0.238 1 1 1147 . 11 1 1 A 88 88 ASN C C 88 175.600 175.830 -0.230 1 1 1148 . 11 1 1 A 88 88 ASN CA C 88 54.100 55.636 -1.536 1 1 1149 . 11 1 1 A 88 88 ASN CB C 88 39.100 38.781 0.319 1 1 1150 . 11 1 1 A 88 88 ASN N N 88 115.500 117.797 -2.297 1 1 1152 . 11 1 1 A 89 89 SER H H 89 8.150 7.891 0.259 1 1 1153 . 11 1 1 A 89 89 SER HA H 89 5.120 4.955 0.165 1 1 1156 . 11 1 1 A 89 89 SER C C 89 172.400 174.000 -1.600 1 1 1157 . 11 1 1 A 89 89 SER CA C 89 58.100 58.748 -0.648 1 1 1158 . 11 1 1 A 89 89 SER CB C 89 64.000 64.817 -0.817 1 1 1159 . 11 1 1 A 89 89 SER N N 89 117.500 115.367 2.133 1 1 1160 . 11 1 1 A 90 90 SER H H 90 8.200 8.623 -0.423 1 1 1161 . 11 1 1 A 90 90 SER HA H 90 4.680 5.286 -0.606 1 1 1164 . 11 1 1 A 90 90 SER C C 90 172.400 173.186 -0.786 1 1 1165 . 11 1 1 A 90 90 SER CA C 90 57.700 56.887 0.813 1 1 1166 . 11 1 1 A 90 90 SER CB C 90 65.700 66.921 -1.221 1 1 1167 . 11 1 1 A 90 90 SER N N 90 113.200 114.396 -1.196 1 1 1168 . 11 1 1 A 91 91 ILE H H 91 8.640 8.617 0.023 1 1 1169 . 11 1 1 A 91 91 ILE HA H 91 5.030 5.214 -0.184 1 1 1179 . 11 1 1 A 91 91 ILE C C 91 175.300 174.579 0.721 1 1 1180 . 11 1 1 A 91 91 ILE CA C 91 60.200 60.486 -0.286 1 1 1181 . 11 1 1 A 91 91 ILE CB C 91 42.200 41.908 0.292 1 1 1185 . 11 1 1 A 91 91 ILE N N 91 119.700 121.385 -1.685 1 1 1186 . 11 1 1 A 92 92 GLU H H 92 8.810 8.695 0.115 1 1 1187 . 11 1 1 A 92 92 GLU HA H 92 4.710 5.059 -0.349 1 1 1192 . 11 1 1 A 92 92 GLU C C 92 174.700 175.074 -0.374 1 1 1193 . 11 1 1 A 92 92 GLU CA C 92 54.600 54.363 0.237 1 1 1194 . 11 1 1 A 92 92 GLU CB C 92 33.300 33.415 -0.115 1 1 1196 . 11 1 1 A 92 92 GLU N N 92 125.900 125.927 -0.027 1 1 1197 . 11 1 1 A 93 93 LYS H H 93 9.080 8.516 0.564 1 1 1198 . 11 1 1 A 93 93 LYS HA H 93 4.100 4.527 -0.427 1 1 1207 . 11 1 1 A 93 93 LYS C C 93 176.400 176.501 -0.101 1 1 1208 . 11 1 1 A 93 93 LYS CA C 93 57.500 56.539 0.961 1 1 1209 . 11 1 1 A 93 93 LYS CB C 93 32.900 33.260 -0.360 1 1 1213 . 11 1 1 A 93 93 LYS N N 93 127.600 124.473 3.127 1 1 1214 . 11 1 1 A 94 94 LEU H H 94 8.410 8.435 -0.025 1 1 1215 . 11 1 1 A 94 94 LEU HA H 94 4.480 4.629 -0.149 1 1 1224 . 11 1 1 A 94 94 LEU C C 94 177.300 177.436 -0.136 1 1 1225 . 11 1 1 A 94 94 LEU CA C 94 53.900 53.871 0.029 1 1 1226 . 11 1 1 A 94 94 LEU CB C 94 42.900 42.803 0.097 1 1 1230 . 11 1 1 A 94 94 LEU N N 94 127.300 127.516 -0.216 1 1 1231 . 11 1 1 A 95 95 SER H H 95 8.630 8.813 -0.183 1 1 1232 . 11 1 1 A 95 95 SER HA H 95 4.350 4.423 -0.073 1 1 1235 . 11 1 1 A 95 95 SER C C 95 173.800 174.026 -0.226 1 1 1236 . 11 1 1 A 95 95 SER CA C 95 58.900 59.337 -0.437 1 1 1237 . 11 1 1 A 95 95 SER CB C 95 63.400 63.629 -0.229 1 1 1238 . 11 1 1 A 95 95 SER N N 95 115.700 119.093 -3.393 1 1 1239 . 11 1 1 A 96 96 GLU H H 96 7.230 7.789 -0.559 1 1 1240 . 11 1 1 A 96 96 GLU HA H 96 4.750 4.898 -0.148 1 1 1245 . 11 1 1 A 96 96 GLU CA C 96 53.000 54.034 -1.034 1 1 1246 . 11 1 1 A 96 96 GLU CB C 96 30.700 31.782 -1.082 1 1 1248 . 11 1 1 A 96 96 GLU N N 96 121.600 118.152 3.448 1 1 1249 . 11 1 1 A 97 97 PRO HA H 97 4.250 4.653 -0.403 1 1 1256 . 11 1 1 A 97 97 PRO CA C 97 62.400 62.356 0.044 1 1 1257 . 11 1 1 A 97 97 PRO CB C 97 32.600 32.621 -0.021 1 1 1260 . 11 1 1 A 98 98 ILE H H 98 7.920 8.443 -0.523 1 1 1261 . 11 1 1 A 98 98 ILE HA H 98 4.070 4.777 -0.707 1 1 1271 . 11 1 1 A 98 98 ILE C C 98 175.400 175.146 0.254 1 1 1272 . 11 1 1 A 98 98 ILE CA C 98 59.300 59.712 -0.412 1 1 1273 . 11 1 1 A 98 98 ILE CB C 98 38.300 39.711 -1.411 1 1 1277 . 11 1 1 A 98 98 ILE N N 98 122.700 120.947 1.753 1 1 1278 . 11 1 1 A 99 99 GLU H H 99 8.550 8.944 -0.394 1 1 1279 . 11 1 1 A 99 99 GLU HA H 99 4.260 4.863 -0.603 1 1 1284 . 11 1 1 A 99 99 GLU C C 99 175.100 175.822 -0.722 1 1 1285 . 11 1 1 A 99 99 GLU CA C 99 55.500 55.306 0.194 1 1 1286 . 11 1 1 A 99 99 GLU CB C 99 30.000 31.267 -1.267 1 1 1288 . 11 1 1 A 99 99 GLU N N 99 127.900 126.890 1.010 1 1 1289 . 11 1 1 A 100 100 VAL H H 100 7.970 9.100 -1.130 1 1 1290 . 11 1 1 A 100 100 VAL HA H 100 3.980 4.496 -0.516 1 1 1298 . 11 1 1 A 100 100 VAL C C 100 176.700 175.758 0.942 1 1 1299 . 11 1 1 A 100 100 VAL CA C 100 61.000 62.077 -1.077 1 1 1300 . 11 1 1 A 100 100 VAL CB C 100 33.000 32.881 0.119 1 1 1303 . 11 1 1 A 100 100 VAL N N 100 121.100 124.632 -3.532 1 1 1304 . 11 1 1 A 101 101 GLY H H 101 8.520 7.492 1.028 1 1 1305 . 11 1 1 A 101 101 GLY HA2 H 101 3.830 4.169 -0.339 1 1 1306 . 11 1 1 A 101 101 GLY HA3 H 101 3.980 4.181 -0.201 1 1 1307 . 11 1 1 A 101 101 GLY C C 101 174.200 174.939 -0.739 1 1 1308 . 11 1 1 A 101 101 GLY CA C 101 45.800 45.599 0.201 1 1 1309 . 11 1 1 A 101 101 GLY N N 101 114.000 109.325 4.675 1 1 1310 . 11 1 1 A 102 102 LEU H H 102 8.100 8.215 -0.115 1 1 1311 . 11 1 1 A 102 102 LEU HA H 102 4.170 4.144 0.026 1 1 1320 . 11 1 1 A 102 102 LEU C C 102 177.700 176.664 1.036 1 1 1321 . 11 1 1 A 102 102 LEU CA C 102 55.500 57.650 -2.150 1 1 1322 . 11 1 1 A 102 102 LEU CB C 102 42.600 41.747 0.853 1 1 1326 . 11 1 1 A 102 102 LEU N N 102 121.000 123.225 -2.225 1 1 1327 . 11 1 1 A 103 103 GLU H H 103 8.420 8.155 0.265 1 1 1328 . 11 1 1 A 103 103 GLU HA H 103 4.090 4.218 -0.128 1 1 1333 . 11 1 1 A 103 103 GLU C C 103 176.400 176.744 -0.344 1 1 1334 . 11 1 1 A 103 103 GLU CA C 103 57.100 57.249 -0.149 1 1 1335 . 11 1 1 A 103 103 GLU CB C 103 29.900 28.143 1.757 1 1 1337 . 11 1 1 A 103 103 GLU N N 103 120.000 118.873 1.127 1 1 1338 . 11 1 1 A 104 104 HIS H H 104 8.180 8.213 -0.033 1 1 1339 . 11 1 1 A 104 104 HIS HA H 104 4.580 4.346 0.234 1 1 1342 . 11 1 1 A 104 104 HIS C C 104 173.800 175.114 -1.314 1 1 1343 . 11 1 1 A 104 104 HIS CA C 104 55.700 59.415 -3.715 1 1 1344 . 11 1 1 A 104 104 HIS CB C 104 30.000 30.860 -0.860 1 1 1345 . 11 1 1 A 104 104 HIS N N 104 119.000 120.910 -1.910 1 1 1346 . 11 1 1 A 105 105 HIS H H 105 8.160 7.732 0.428 1 1 1347 . 11 1 1 A 105 105 HIS HA H 105 4.380 4.519 -0.139 1 1 1350 . 11 1 1 A 105 105 HIS CA C 105 57.200 55.387 1.813 1 1 1351 . 11 1 1 A 105 105 HIS CB C 105 30.000 31.028 -1.028 1 1 1 . 12 1 1 A 3 3 PRO HA H 3 4.430 4.491 -0.061 1 1 8 . 12 1 1 A 3 3 PRO C C 3 175.600 176.303 -0.703 1 1 9 . 12 1 1 A 3 3 PRO CA C 3 62.510 62.566 -0.056 1 1 10 . 12 1 1 A 3 3 PRO CB C 3 32.000 32.053 -0.053 1 1 13 . 12 1 1 A 4 4 GLN H H 4 8.580 8.424 0.156 1 1 14 . 12 1 1 A 4 4 GLN HA H 4 4.260 4.526 -0.266 1 1 21 . 12 1 1 A 4 4 GLN C C 4 176.900 175.553 1.347 1 1 22 . 12 1 1 A 4 4 GLN CA C 4 55.700 56.123 -0.423 1 1 23 . 12 1 1 A 4 4 GLN CB C 4 29.200 29.143 0.057 1 1 25 . 12 1 1 A 4 4 GLN N N 4 120.000 121.269 -1.269 1 1 27 . 12 1 1 A 5 5 LEU H H 5 8.920 9.104 -0.184 1 1 28 . 12 1 1 A 5 5 LEU HA H 5 4.660 5.122 -0.462 1 1 38 . 12 1 1 A 5 5 LEU C C 5 176.900 176.161 0.739 1 1 39 . 12 1 1 A 5 5 LEU CA C 5 54.700 53.788 0.912 1 1 40 . 12 1 1 A 5 5 LEU CB C 5 43.000 43.426 -0.426 1 1 44 . 12 1 1 A 5 5 LEU N N 5 128.500 127.152 1.348 1 1 45 . 12 1 1 A 6 6 THR H H 6 8.750 9.013 -0.263 1 1 46 . 12 1 1 A 6 6 THR HA H 6 4.530 5.094 -0.564 1 1 51 . 12 1 1 A 6 6 THR C C 6 173.700 173.352 0.348 1 1 52 . 12 1 1 A 6 6 THR CA C 6 61.600 60.874 0.726 1 1 53 . 12 1 1 A 6 6 THR CB C 6 72.000 72.184 -0.184 1 1 55 . 12 1 1 A 6 6 THR N N 6 121.000 121.103 -0.103 1 1 56 . 12 1 1 A 7 7 LYS H H 7 9.080 8.715 0.365 1 1 57 . 12 1 1 A 7 7 LYS HA H 7 4.430 4.544 -0.114 1 1 66 . 12 1 1 A 7 7 LYS C C 7 178.600 177.776 0.824 1 1 67 . 12 1 1 A 7 7 LYS CA C 7 54.300 54.293 0.007 1 1 68 . 12 1 1 A 7 7 LYS CB C 7 32.300 34.503 -2.203 1 1 72 . 12 1 1 A 7 7 LYS N N 7 126.300 123.923 2.377 1 1 73 . 12 1 1 A 8 8 ILE H H 8 9.870 8.741 1.129 1 1 74 . 12 1 1 A 8 8 ILE HA H 8 3.240 3.690 -0.450 1 1 82 . 12 1 1 A 8 8 ILE C C 8 178.700 178.204 0.496 1 1 83 . 12 1 1 A 8 8 ILE CA C 8 66.800 64.416 2.384 1 1 84 . 12 1 1 A 8 8 ILE CB C 8 36.400 37.762 -1.362 1 1 87 . 12 1 1 A 8 8 ILE N N 8 124.700 123.690 1.010 1 1 88 . 12 1 1 A 9 9 VAL H H 9 8.340 8.047 0.293 1 1 89 . 12 1 1 A 9 9 VAL HA H 9 3.930 3.918 0.012 1 1 97 . 12 1 1 A 9 9 VAL C C 9 178.700 176.538 2.162 1 1 98 . 12 1 1 A 9 9 VAL CA C 9 63.300 64.142 -0.842 1 1 99 . 12 1 1 A 9 9 VAL CB C 9 31.700 31.540 0.160 1 1 102 . 12 1 1 A 9 9 VAL N N 9 119.500 121.259 -1.759 1 1 103 . 12 1 1 A 10 10 ASP H H 10 7.510 8.009 -0.499 1 1 104 . 12 1 1 A 10 10 ASP HA H 10 4.730 4.738 -0.008 1 1 107 . 12 1 1 A 10 10 ASP C C 10 174.500 176.187 -1.687 1 1 108 . 12 1 1 A 10 10 ASP CA C 10 54.400 52.928 1.472 1 1 109 . 12 1 1 A 10 10 ASP CB C 10 41.100 41.108 -0.008 1 1 110 . 12 1 1 A 10 10 ASP N N 10 119.100 119.830 -0.730 1 1 111 . 12 1 1 A 11 11 ILE H H 11 7.460 7.339 0.121 1 1 112 . 12 1 1 A 11 11 ILE HA H 11 3.800 4.110 -0.310 1 1 122 . 12 1 1 A 11 11 ILE C C 11 174.900 176.439 -1.539 1 1 123 . 12 1 1 A 11 11 ILE CA C 11 62.100 60.689 1.411 1 1 124 . 12 1 1 A 11 11 ILE CB C 11 35.300 37.145 -1.845 1 1 128 . 12 1 1 A 11 11 ILE N N 11 124.200 121.356 2.844 1 1 129 . 12 1 1 A 12 12 VAL H H 12 8.530 8.552 -0.022 1 1 130 . 12 1 1 A 12 12 VAL HA H 12 4.260 4.166 0.094 1 1 138 . 12 1 1 A 12 12 VAL C C 12 174.900 175.124 -0.224 1 1 139 . 12 1 1 A 12 12 VAL CA C 12 60.600 61.045 -0.445 1 1 140 . 12 1 1 A 12 12 VAL CB C 12 35.400 33.776 1.624 1 1 143 . 12 1 1 A 12 12 VAL N N 12 118.400 119.309 -0.909 1 1 144 . 12 1 1 A 13 13 GLU H H 13 7.430 7.326 0.104 1 1 145 . 12 1 1 A 13 13 GLU HA H 13 4.590 5.010 -0.420 1 1 150 . 12 1 1 A 13 13 GLU C C 13 173.800 174.357 -0.557 1 1 151 . 12 1 1 A 13 13 GLU CA C 13 54.800 54.765 0.035 1 1 152 . 12 1 1 A 13 13 GLU CB C 13 33.160 33.306 -0.146 1 1 154 . 12 1 1 A 13 13 GLU N N 13 120.100 122.446 -2.346 1 1 155 . 12 1 1 A 14 14 ASN H H 14 8.800 8.817 -0.017 1 1 156 . 12 1 1 A 14 14 ASN HA H 14 4.110 5.089 -0.979 1 1 161 . 12 1 1 A 14 14 ASN C C 14 176.600 175.713 0.887 1 1 162 . 12 1 1 A 14 14 ASN CA C 14 54.600 52.454 2.146 1 1 163 . 12 1 1 A 14 14 ASN CB C 14 38.900 39.673 -0.773 1 1 164 . 12 1 1 A 14 14 ASN N N 14 121.500 123.323 -1.823 1 1 166 . 12 1 1 A 15 15 GLY H H 15 8.620 9.236 -0.616 1 1 167 . 12 1 1 A 15 15 GLY HA2 H 15 3.460 3.716 -0.256 1 1 168 . 12 1 1 A 15 15 GLY HA3 H 15 4.110 3.807 0.303 1 1 169 . 12 1 1 A 15 15 GLY C C 15 173.100 173.671 -0.571 1 1 170 . 12 1 1 A 15 15 GLY CA C 15 45.300 45.658 -0.358 1 1 171 . 12 1 1 A 15 15 GLY N N 15 114.900 110.594 4.306 1 1 172 . 12 1 1 A 16 16 GLN H H 16 7.280 7.773 -0.493 1 1 173 . 12 1 1 A 16 16 GLN HA H 16 4.160 4.623 -0.463 1 1 180 . 12 1 1 A 16 16 GLN C C 16 174.400 174.479 -0.079 1 1 181 . 12 1 1 A 16 16 GLN CA C 16 56.300 54.669 1.631 1 1 182 . 12 1 1 A 16 16 GLN CB C 16 30.300 30.579 -0.279 1 1 184 . 12 1 1 A 16 16 GLN N N 16 121.500 117.929 3.571 1 1 186 . 12 1 1 A 17 17 TRP H H 17 8.640 8.730 -0.090 1 1 187 . 12 1 1 A 17 17 TRP HA H 17 5.400 5.578 -0.178 1 1 196 . 12 1 1 A 17 17 TRP C C 17 176.900 176.080 0.820 1 1 197 . 12 1 1 A 17 17 TRP CA C 17 56.400 56.309 0.091 1 1 198 . 12 1 1 A 17 17 TRP CB C 17 30.300 31.238 -0.938 1 1 204 . 12 1 1 A 17 17 TRP N N 17 125.500 121.084 4.416 1 1 206 . 12 1 1 A 18 18 ALA H H 18 9.020 8.637 0.383 1 1 207 . 12 1 1 A 18 18 ALA HA H 18 4.650 4.870 -0.220 1 1 211 . 12 1 1 A 18 18 ALA C C 18 174.100 175.048 -0.948 1 1 212 . 12 1 1 A 18 18 ALA CA C 18 51.430 51.283 0.147 1 1 213 . 12 1 1 A 18 18 ALA CB C 18 22.600 23.203 -0.603 1 1 214 . 12 1 1 A 18 18 ALA N N 18 124.000 122.359 1.641 1 1 215 . 12 1 1 A 19 19 ASN H H 19 8.250 8.214 0.036 1 1 216 . 12 1 1 A 19 19 ASN HA H 19 5.710 5.668 0.042 1 1 221 . 12 1 1 A 19 19 ASN C C 19 173.500 174.660 -1.160 1 1 222 . 12 1 1 A 19 19 ASN CA C 19 51.600 51.995 -0.395 1 1 223 . 12 1 1 A 19 19 ASN CB C 19 40.100 41.592 -1.492 1 1 224 . 12 1 1 A 19 19 ASN N N 19 116.500 116.314 0.186 1 1 226 . 12 1 1 A 20 20 LEU H H 20 9.280 8.943 0.337 1 1 227 . 12 1 1 A 20 20 LEU HA H 20 4.930 5.256 -0.326 1 1 236 . 12 1 1 A 20 20 LEU C C 20 174.800 174.802 -0.002 1 1 237 . 12 1 1 A 20 20 LEU CA C 20 54.200 53.351 0.849 1 1 238 . 12 1 1 A 20 20 LEU CB C 20 46.300 46.145 0.155 1 1 241 . 12 1 1 A 20 20 LEU N N 20 121.800 123.078 -1.278 1 1 242 . 12 1 1 A 21 21 LYS H H 21 8.550 9.017 -0.467 1 1 243 . 12 1 1 A 21 21 LYS HA H 21 5.450 5.287 0.163 1 1 252 . 12 1 1 A 21 21 LYS C C 21 174.800 175.113 -0.313 1 1 253 . 12 1 1 A 21 21 LYS CA C 21 55.350 54.647 0.703 1 1 254 . 12 1 1 A 21 21 LYS CB C 21 34.300 35.597 -1.297 1 1 258 . 12 1 1 A 21 21 LYS N N 21 122.500 124.937 -2.437 1 1 259 . 12 1 1 A 22 22 ALA H H 22 9.090 8.266 0.824 1 1 260 . 12 1 1 A 22 22 ALA HA H 22 4.830 4.901 -0.071 1 1 264 . 12 1 1 A 22 22 ALA C C 22 173.800 175.061 -1.261 1 1 265 . 12 1 1 A 22 22 ALA CA C 22 51.300 51.028 0.272 1 1 266 . 12 1 1 A 22 22 ALA CB C 22 24.700 23.189 1.511 1 1 267 . 12 1 1 A 22 22 ALA N N 22 123.200 126.889 -3.689 1 1 268 . 12 1 1 A 23 23 LYS H H 23 9.190 8.607 0.583 1 1 269 . 12 1 1 A 23 23 LYS HA H 23 5.080 4.713 0.367 1 1 276 . 12 1 1 A 23 23 LYS C C 23 176.900 175.761 1.139 1 1 277 . 12 1 1 A 23 23 LYS CA C 23 54.100 54.918 -0.818 1 1 278 . 12 1 1 A 23 23 LYS CB C 23 35.800 33.928 1.872 1 1 281 . 12 1 1 A 23 23 LYS N N 23 121.100 121.612 -0.512 1 1 282 . 12 1 1 A 24 24 VAL H H 24 8.620 8.557 0.063 1 1 283 . 12 1 1 A 24 24 VAL HA H 24 4.110 4.211 -0.101 1 1 291 . 12 1 1 A 24 24 VAL C C 24 175.800 176.594 -0.794 1 1 292 . 12 1 1 A 24 24 VAL CA C 24 62.750 62.678 0.072 1 1 293 . 12 1 1 A 24 24 VAL CB C 24 30.500 30.999 -0.499 1 1 296 . 12 1 1 A 24 24 VAL N N 24 125.600 125.805 -0.205 1 1 297 . 12 1 1 A 25 25 ILE H H 25 8.430 8.161 0.269 1 1 298 . 12 1 1 A 25 25 ILE HA H 25 4.210 4.178 0.032 1 1 308 . 12 1 1 A 25 25 ILE C C 25 176.700 175.917 0.783 1 1 309 . 12 1 1 A 25 25 ILE CA C 25 62.100 62.574 -0.474 1 1 310 . 12 1 1 A 25 25 ILE CB C 25 38.300 38.369 -0.069 1 1 314 . 12 1 1 A 25 25 ILE N N 25 127.400 123.983 3.417 1 1 315 . 12 1 1 A 26 26 GLN H H 26 7.590 7.302 0.288 1 1 316 . 12 1 1 A 26 26 GLN HA H 26 4.560 4.911 -0.351 1 1 323 . 12 1 1 A 26 26 GLN C C 26 173.700 173.350 0.350 1 1 324 . 12 1 1 A 26 26 GLN CA C 26 55.400 55.344 0.056 1 1 325 . 12 1 1 A 26 26 GLN CB C 26 34.100 32.293 1.807 1 1 327 . 12 1 1 A 26 26 GLN N N 26 117.100 120.671 -3.571 1 1 329 . 12 1 1 A 27 27 LEU H H 27 8.470 9.115 -0.645 1 1 330 . 12 1 1 A 27 27 LEU HA H 27 4.710 5.450 -0.740 1 1 340 . 12 1 1 A 27 27 LEU C C 27 176.200 174.791 1.409 1 1 341 . 12 1 1 A 27 27 LEU CA C 27 54.100 53.194 0.906 1 1 342 . 12 1 1 A 27 27 LEU CB C 27 44.000 45.583 -1.583 1 1 346 . 12 1 1 A 27 27 LEU N N 27 123.600 127.965 -4.365 1 1 347 . 12 1 1 A 28 28 TRP H H 28 8.850 8.547 0.303 1 1 348 . 12 1 1 A 28 28 TRP HA H 28 5.180 5.140 0.040 1 1 357 . 12 1 1 A 28 28 TRP C C 28 175.900 174.486 1.414 1 1 358 . 12 1 1 A 28 28 TRP CA C 28 53.300 57.023 -3.723 1 1 359 . 12 1 1 A 28 28 TRP CB C 28 31.400 32.997 -1.597 1 1 365 . 12 1 1 A 28 28 TRP N N 28 123.900 128.024 -4.124 1 1 367 . 12 1 1 A 29 29 GLU H H 29 8.620 8.141 0.479 1 1 368 . 12 1 1 A 29 29 GLU HA H 29 4.250 4.563 -0.313 1 1 373 . 12 1 1 A 29 29 GLU C C 29 175.700 175.050 0.650 1 1 374 . 12 1 1 A 29 29 GLU CA C 29 56.800 55.684 1.116 1 1 375 . 12 1 1 A 29 29 GLU CB C 29 30.000 31.327 -1.327 1 1 377 . 12 1 1 A 29 29 GLU N N 29 120.700 125.506 -4.806 1 1 378 . 12 1 1 A 30 30 ASN H H 30 8.720 8.120 0.600 1 1 379 . 12 1 1 A 30 30 ASN HA H 30 4.870 5.042 -0.172 1 1 384 . 12 1 1 A 30 30 ASN C C 30 174.800 175.022 -0.222 1 1 385 . 12 1 1 A 30 30 ASN CA C 30 53.800 52.553 1.247 1 1 386 . 12 1 1 A 30 30 ASN CB C 30 41.200 40.946 0.254 1 1 387 . 12 1 1 A 30 30 ASN N N 30 121.400 122.272 -0.872 1 1 389 . 12 1 1 A 31 31 THR H H 31 8.300 8.681 -0.381 1 1 390 . 12 1 1 A 31 31 THR HA H 31 4.430 4.585 -0.155 1 1 395 . 12 1 1 A 31 31 THR C C 31 174.200 174.975 -0.775 1 1 396 . 12 1 1 A 31 31 THR CA C 31 61.000 61.171 -0.171 1 1 397 . 12 1 1 A 31 31 THR CB C 31 69.600 69.412 0.188 1 1 399 . 12 1 1 A 31 31 THR N N 31 114.200 120.221 -6.021 1 1 400 . 12 1 1 A 32 32 HIS H H 32 7.840 7.834 0.006 1 1 401 . 12 1 1 A 32 32 HIS HA H 32 4.560 4.549 0.011 1 1 405 . 12 1 1 A 32 32 HIS C C 32 177.300 175.091 2.209 1 1 406 . 12 1 1 A 32 32 HIS CA C 32 57.600 58.167 -0.567 1 1 407 . 12 1 1 A 32 32 HIS CB C 32 32.000 30.011 1.989 1 1 409 . 12 1 1 A 32 32 HIS N N 32 122.500 121.264 1.236 1 1 410 . 12 1 1 A 33 33 GLU H H 33 9.020 8.188 0.832 1 1 411 . 12 1 1 A 33 33 GLU HA H 33 4.120 4.117 0.003 1 1 416 . 12 1 1 A 33 33 GLU C C 33 177.100 176.765 0.335 1 1 417 . 12 1 1 A 33 33 GLU CA C 33 59.000 58.245 0.755 1 1 418 . 12 1 1 A 33 33 GLU CB C 33 29.400 29.521 -0.121 1 1 420 . 12 1 1 A 33 33 GLU N N 33 127.300 119.302 7.998 1 1 421 . 12 1 1 A 34 34 SER H H 34 9.430 8.985 0.445 1 1 422 . 12 1 1 A 34 34 SER HA H 34 4.580 4.509 0.071 1 1 425 . 12 1 1 A 34 34 SER C C 34 174.800 173.784 1.016 1 1 426 . 12 1 1 A 34 34 SER CA C 34 59.500 59.055 0.445 1 1 427 . 12 1 1 A 34 34 SER CB C 34 63.600 64.269 -0.669 1 1 428 . 12 1 1 A 34 34 SER N N 34 113.400 110.946 2.454 1 1 429 . 12 1 1 A 35 35 ILE H H 35 7.920 7.519 0.401 1 1 430 . 12 1 1 A 35 35 ILE HA H 35 4.080 4.443 -0.363 1 1 440 . 12 1 1 A 35 35 ILE C C 35 174.300 175.496 -1.196 1 1 441 . 12 1 1 A 35 35 ILE CA C 35 61.600 59.622 1.978 1 1 442 . 12 1 1 A 35 35 ILE CB C 35 40.700 40.717 -0.017 1 1 446 . 12 1 1 A 35 35 ILE N N 35 125.800 121.965 3.835 1 1 447 . 12 1 1 A 36 36 SER H H 36 9.010 8.602 0.408 1 1 448 . 12 1 1 A 36 36 SER HA H 36 4.480 4.447 0.033 1 1 451 . 12 1 1 A 36 36 SER C C 36 174.900 174.625 0.275 1 1 452 . 12 1 1 A 36 36 SER CA C 36 58.800 59.972 -1.172 1 1 453 . 12 1 1 A 36 36 SER CB C 36 64.300 63.842 0.458 1 1 454 . 12 1 1 A 36 36 SER N N 36 119.100 119.130 -0.030 1 1 455 . 12 1 1 A 37 37 GLN H H 37 7.390 7.459 -0.069 1 1 456 . 12 1 1 A 37 37 GLN HA H 37 4.690 4.609 0.081 1 1 463 . 12 1 1 A 37 37 GLN C C 37 171.800 173.054 -1.254 1 1 464 . 12 1 1 A 37 37 GLN CA C 37 54.900 54.643 0.257 1 1 465 . 12 1 1 A 37 37 GLN CB C 37 36.200 31.117 5.083 1 1 466 . 12 1 1 A 37 37 GLN N N 37 116.500 113.866 2.634 1 1 468 . 12 1 1 A 38 38 VAL H H 38 8.640 8.512 0.128 1 1 469 . 12 1 1 A 38 38 VAL HA H 38 4.160 4.748 -0.588 1 1 477 . 12 1 1 A 38 38 VAL C C 38 172.400 175.109 -2.709 1 1 478 . 12 1 1 A 38 38 VAL CA C 38 58.500 60.273 -1.773 1 1 479 . 12 1 1 A 38 38 VAL CB C 38 35.300 36.289 -0.989 1 1 482 . 12 1 1 A 38 38 VAL N N 38 120.400 119.076 1.324 1 1 483 . 12 1 1 A 39 39 GLY H H 39 6.440 8.047 -1.607 1 1 484 . 12 1 1 A 39 39 GLY HA2 H 39 3.690 4.341 -0.651 1 1 485 . 12 1 1 A 39 39 GLY HA3 H 39 1.940 4.432 -2.492 1 1 486 . 12 1 1 A 39 39 GLY C C 39 170.600 171.789 -1.189 1 1 487 . 12 1 1 A 39 39 GLY CA C 39 45.300 46.398 -1.098 1 1 488 . 12 1 1 A 39 39 GLY N N 39 109.600 111.108 -1.508 1 1 489 . 12 1 1 A 40 40 LEU H H 40 8.380 8.340 0.040 1 1 490 . 12 1 1 A 40 40 LEU HA H 40 4.980 5.198 -0.218 1 1 499 . 12 1 1 A 40 40 LEU C C 40 176.000 175.820 0.180 1 1 500 . 12 1 1 A 40 40 LEU CA C 40 53.200 53.460 -0.260 1 1 501 . 12 1 1 A 40 40 LEU CB C 40 47.400 45.862 1.538 1 1 504 . 12 1 1 A 40 40 LEU N N 40 119.500 121.906 -2.406 1 1 505 . 12 1 1 A 41 41 LEU H H 41 9.410 8.626 0.784 1 1 506 . 12 1 1 A 41 41 LEU HA H 41 5.320 5.274 0.046 1 1 516 . 12 1 1 A 41 41 LEU C C 41 176.700 175.686 1.014 1 1 517 . 12 1 1 A 41 41 LEU CA C 41 52.400 53.096 -0.696 1 1 518 . 12 1 1 A 41 41 LEU CB C 41 44.900 45.918 -1.018 1 1 522 . 12 1 1 A 41 41 LEU N N 41 122.700 122.739 -0.039 1 1 523 . 12 1 1 A 42 42 GLY H H 42 9.210 8.671 0.539 1 1 524 . 12 1 1 A 42 42 GLY HA2 H 42 3.550 4.179 -0.629 1 1 525 . 12 1 1 A 42 42 GLY HA3 H 42 5.350 4.180 1.170 1 1 526 . 12 1 1 A 42 42 GLY C C 42 171.200 173.988 -2.788 1 1 527 . 12 1 1 A 42 42 GLY CA C 42 45.700 44.531 1.169 1 1 528 . 12 1 1 A 42 42 GLY N N 42 104.600 109.930 -5.330 1 1 529 . 12 1 1 A 43 43 ASP H H 43 8.960 8.533 0.427 1 1 530 . 12 1 1 A 43 43 ASP HA H 43 4.640 4.813 -0.173 1 1 533 . 12 1 1 A 43 43 ASP C C 43 175.600 175.981 -0.381 1 1 534 . 12 1 1 A 43 43 ASP CA C 43 52.700 53.613 -0.913 1 1 535 . 12 1 1 A 43 43 ASP CB C 43 41.600 41.214 0.386 1 1 536 . 12 1 1 A 43 43 ASP N N 43 121.900 123.881 -1.981 1 1 537 . 12 1 1 A 44 44 GLU H H 44 10.150 8.214 1.936 1 1 538 . 12 1 1 A 44 44 GLU HA H 44 4.380 4.366 0.014 1 1 543 . 12 1 1 A 44 44 GLU C C 44 176.900 176.615 0.285 1 1 544 . 12 1 1 A 44 44 GLU CA C 44 59.300 58.172 1.128 1 1 545 . 12 1 1 A 44 44 GLU CB C 44 28.100 29.491 -1.391 1 1 547 . 12 1 1 A 44 44 GLU N N 44 118.000 119.062 -1.062 1 1 548 . 12 1 1 A 45 45 THR H H 45 9.600 8.135 1.465 1 1 549 . 12 1 1 A 45 45 THR HA H 45 4.580 4.459 0.121 1 1 554 . 12 1 1 A 45 45 THR C C 45 174.800 173.939 0.861 1 1 555 . 12 1 1 A 45 45 THR CA C 45 61.700 62.347 -0.647 1 1 556 . 12 1 1 A 45 45 THR CB C 45 70.000 69.331 0.669 1 1 558 . 12 1 1 A 45 45 THR N N 45 112.000 110.523 1.477 1 1 559 . 12 1 1 A 46 46 GLY H H 46 7.640 7.487 0.153 1 1 560 . 12 1 1 A 46 46 GLY HA2 H 46 3.830 4.101 -0.271 1 1 561 . 12 1 1 A 46 46 GLY HA3 H 46 4.000 4.105 -0.105 1 1 562 . 12 1 1 A 46 46 GLY C C 46 169.400 171.408 -2.008 1 1 563 . 12 1 1 A 46 46 GLY CA C 46 46.000 45.289 0.711 1 1 564 . 12 1 1 A 46 46 GLY N N 46 110.600 108.036 2.564 1 1 565 . 12 1 1 A 47 47 ILE H H 47 8.000 8.483 -0.483 1 1 566 . 12 1 1 A 47 47 ILE HA H 47 5.450 5.254 0.196 1 1 576 . 12 1 1 A 47 47 ILE C C 47 175.200 174.073 1.127 1 1 577 . 12 1 1 A 47 47 ILE CA C 47 59.100 58.573 0.527 1 1 578 . 12 1 1 A 47 47 ILE CB C 47 42.400 42.487 -0.087 1 1 582 . 12 1 1 A 47 47 ILE N N 47 113.900 118.595 -4.695 1 1 583 . 12 1 1 A 48 48 ILE H H 48 9.340 8.449 0.891 1 1 584 . 12 1 1 A 48 48 ILE HA H 48 4.640 4.782 -0.142 1 1 594 . 12 1 1 A 48 48 ILE C C 48 171.500 173.205 -1.705 1 1 595 . 12 1 1 A 48 48 ILE CA C 48 60.600 59.331 1.269 1 1 596 . 12 1 1 A 48 48 ILE CB C 48 42.000 41.712 0.288 1 1 600 . 12 1 1 A 48 48 ILE N N 48 123.600 121.827 1.773 1 1 601 . 12 1 1 A 49 49 LYS H H 49 8.350 8.761 -0.411 1 1 602 . 12 1 1 A 49 49 LYS HA H 49 4.820 5.087 -0.267 1 1 611 . 12 1 1 A 49 49 LYS C C 49 174.700 176.405 -1.705 1 1 612 . 12 1 1 A 49 49 LYS CA C 49 56.400 55.245 1.155 1 1 613 . 12 1 1 A 49 49 LYS CB C 49 33.800 33.822 -0.022 1 1 617 . 12 1 1 A 49 49 LYS N N 49 129.100 129.781 -0.681 1 1 618 . 12 1 1 A 50 50 PHE H H 50 8.570 9.068 -0.498 1 1 619 . 12 1 1 A 50 50 PHE HA H 50 5.820 5.897 -0.077 1 1 627 . 12 1 1 A 50 50 PHE C C 50 172.100 173.849 -1.749 1 1 628 . 12 1 1 A 50 50 PHE CA C 50 54.800 55.032 -0.232 1 1 629 . 12 1 1 A 50 50 PHE CB C 50 43.900 42.121 1.779 1 1 635 . 12 1 1 A 50 50 PHE N N 50 122.700 122.383 0.317 1 1 636 . 12 1 1 A 51 51 THR H H 51 8.190 8.367 -0.177 1 1 637 . 12 1 1 A 51 51 THR HA H 51 4.320 4.564 -0.244 1 1 642 . 12 1 1 A 51 51 THR C C 51 172.900 172.557 0.343 1 1 643 . 12 1 1 A 51 51 THR CA C 51 61.700 61.053 0.647 1 1 644 . 12 1 1 A 51 51 THR CB C 51 72.500 71.470 1.030 1 1 646 . 12 1 1 A 51 51 THR N N 51 114.400 113.962 0.438 1 1 647 . 12 1 1 A 52 52 ILE H H 52 8.880 8.187 0.693 1 1 648 . 12 1 1 A 52 52 ILE HA H 52 4.650 4.476 0.174 1 1 658 . 12 1 1 A 52 52 ILE C C 52 176.000 175.162 0.838 1 1 659 . 12 1 1 A 52 52 ILE CA C 52 60.500 59.873 0.627 1 1 660 . 12 1 1 A 52 52 ILE CB C 52 38.900 39.099 -0.199 1 1 664 . 12 1 1 A 52 52 ILE N N 52 123.400 126.469 -3.069 1 1 665 . 12 1 1 A 53 53 TRP H H 53 8.020 8.482 -0.462 1 1 666 . 12 1 1 A 53 53 TRP HA H 53 4.740 4.816 -0.076 1 1 675 . 12 1 1 A 53 53 TRP C C 53 177.500 177.474 0.026 1 1 676 . 12 1 1 A 53 53 TRP CA C 53 57.700 57.588 0.112 1 1 677 . 12 1 1 A 53 53 TRP CB C 53 30.400 30.430 -0.030 1 1 683 . 12 1 1 A 53 53 TRP N N 53 129.500 128.731 0.769 1 1 685 . 12 1 1 A 54 54 LYS H H 54 8.980 9.295 -0.315 1 1 686 . 12 1 1 A 54 54 LYS HA H 54 4.100 4.187 -0.087 1 1 695 . 12 1 1 A 54 54 LYS C C 54 177.700 178.597 -0.897 1 1 696 . 12 1 1 A 54 54 LYS CA C 54 59.400 59.840 -0.440 1 1 697 . 12 1 1 A 54 54 LYS CB C 54 32.400 32.159 0.241 1 1 701 . 12 1 1 A 54 54 LYS N N 54 125.500 124.870 0.630 1 1 702 . 12 1 1 A 55 55 ASN H H 55 8.600 8.357 0.243 1 1 703 . 12 1 1 A 55 55 ASN HA H 55 4.510 4.503 0.007 1 1 708 . 12 1 1 A 55 55 ASN C C 55 175.300 177.271 -1.971 1 1 709 . 12 1 1 A 55 55 ASN CA C 55 53.700 55.726 -2.026 1 1 710 . 12 1 1 A 55 55 ASN CB C 55 37.100 38.285 -1.185 1 1 711 . 12 1 1 A 55 55 ASN N N 55 115.400 117.359 -1.959 1 1 713 . 12 1 1 A 56 56 ALA H H 56 7.630 7.685 -0.055 1 1 714 . 12 1 1 A 56 56 ALA HA H 56 3.970 4.324 -0.354 1 1 718 . 12 1 1 A 56 56 ALA C C 56 176.100 176.826 -0.726 1 1 719 . 12 1 1 A 56 56 ALA CA C 56 53.500 52.849 0.651 1 1 720 . 12 1 1 A 56 56 ALA CB C 56 18.400 19.454 -1.054 1 1 721 . 12 1 1 A 56 56 ALA N N 56 121.200 119.858 1.342 1 1 722 . 12 1 1 A 57 57 GLU H H 57 7.880 8.370 -0.490 1 1 723 . 12 1 1 A 57 57 GLU HA H 57 3.940 3.874 0.066 1 1 728 . 12 1 1 A 57 57 GLU C C 57 175.400 175.111 0.289 1 1 729 . 12 1 1 A 57 57 GLU CA C 57 56.700 57.425 -0.725 1 1 730 . 12 1 1 A 57 57 GLU CB C 57 27.300 27.232 0.068 1 1 732 . 12 1 1 A 57 57 GLU N N 57 112.500 115.543 -3.043 1 1 733 . 12 1 1 A 58 58 LEU H H 58 7.910 7.812 0.098 1 1 734 . 12 1 1 A 58 58 LEU HA H 58 4.740 4.714 0.026 1 1 744 . 12 1 1 A 58 58 LEU C C 58 175.400 174.540 0.860 1 1 745 . 12 1 1 A 58 58 LEU CA C 58 52.300 52.329 -0.029 1 1 746 . 12 1 1 A 58 58 LEU CB C 58 42.900 42.339 0.561 1 1 750 . 12 1 1 A 58 58 LEU N N 58 120.000 120.110 -0.110 1 1 751 . 12 1 1 A 59 59 PRO HA H 59 4.380 4.570 -0.190 1 1 758 . 12 1 1 A 59 59 PRO CA C 59 62.200 62.467 -0.267 1 1 759 . 12 1 1 A 59 59 PRO CB C 59 32.000 32.216 -0.216 1 1 762 . 12 1 1 A 60 60 LEU H H 60 7.860 8.299 -0.439 1 1 763 . 12 1 1 A 60 60 LEU HA H 60 3.920 4.385 -0.465 1 1 773 . 12 1 1 A 60 60 LEU C C 60 178.300 177.107 1.193 1 1 774 . 12 1 1 A 60 60 LEU CA C 60 55.000 54.678 0.322 1 1 775 . 12 1 1 A 60 60 LEU CB C 60 41.800 42.264 -0.464 1 1 779 . 12 1 1 A 60 60 LEU N N 60 117.500 123.373 -5.873 1 1 780 . 12 1 1 A 61 61 LEU H H 61 9.680 8.518 1.162 1 1 781 . 12 1 1 A 61 61 LEU HA H 61 4.040 4.084 -0.044 1 1 791 . 12 1 1 A 61 61 LEU C C 61 177.300 176.599 0.701 1 1 792 . 12 1 1 A 61 61 LEU CA C 61 54.100 54.479 -0.379 1 1 793 . 12 1 1 A 61 61 LEU CB C 61 41.300 42.163 -0.863 1 1 797 . 12 1 1 A 61 61 LEU N N 61 122.300 125.174 -2.874 1 1 798 . 12 1 1 A 62 62 GLU H H 62 8.390 9.246 -0.856 1 1 799 . 12 1 1 A 62 62 GLU HA H 62 4.430 4.614 -0.184 1 1 804 . 12 1 1 A 62 62 GLU C C 62 175.600 176.803 -1.203 1 1 805 . 12 1 1 A 62 62 GLU CA C 62 54.800 55.892 -1.092 1 1 806 . 12 1 1 A 62 62 GLU CB C 62 32.200 30.999 1.201 1 1 808 . 12 1 1 A 62 62 GLU N N 62 120.500 123.006 -2.506 1 1 809 . 12 1 1 A 63 63 GLN H H 63 8.780 8.730 0.050 1 1 810 . 12 1 1 A 63 63 GLN HA H 63 3.700 4.040 -0.340 1 1 817 . 12 1 1 A 63 63 GLN C C 63 176.600 176.896 -0.296 1 1 818 . 12 1 1 A 63 63 GLN CA C 63 58.100 57.655 0.445 1 1 819 . 12 1 1 A 63 63 GLN CB C 63 28.300 28.575 -0.275 1 1 821 . 12 1 1 A 63 63 GLN N N 63 123.300 125.969 -2.669 1 1 823 . 12 1 1 A 64 64 GLY H H 64 9.140 8.627 0.513 1 1 824 . 12 1 1 A 64 64 GLY HA2 H 64 3.580 3.946 -0.366 1 1 825 . 12 1 1 A 64 64 GLY HA3 H 64 4.390 3.950 0.440 1 1 826 . 12 1 1 A 64 64 GLY C C 64 173.900 173.573 0.327 1 1 827 . 12 1 1 A 64 64 GLY CA C 64 45.300 45.469 -0.169 1 1 828 . 12 1 1 A 64 64 GLY N N 64 115.100 114.734 0.366 1 1 829 . 12 1 1 A 65 65 GLU H H 65 7.590 7.599 -0.009 1 1 830 . 12 1 1 A 65 65 GLU HA H 65 4.490 4.685 -0.195 1 1 835 . 12 1 1 A 65 65 GLU C C 65 174.200 175.868 -1.668 1 1 836 . 12 1 1 A 65 65 GLU CA C 65 54.900 54.301 0.599 1 1 837 . 12 1 1 A 65 65 GLU CB C 65 30.500 31.776 -1.276 1 1 839 . 12 1 1 A 65 65 GLU N N 65 120.300 120.445 -0.145 1 1 840 . 12 1 1 A 66 66 SER H H 66 8.700 8.404 0.296 1 1 841 . 12 1 1 A 66 66 SER HA H 66 5.330 4.772 0.558 1 1 844 . 12 1 1 A 66 66 SER C C 66 174.100 173.139 0.961 1 1 845 . 12 1 1 A 66 66 SER CA C 66 58.300 58.475 -0.175 1 1 846 . 12 1 1 A 66 66 SER CB C 66 65.500 64.050 1.450 1 1 847 . 12 1 1 A 66 66 SER N N 66 116.500 118.772 -2.272 1 1 848 . 12 1 1 A 67 67 TYR H H 67 9.090 8.654 0.436 1 1 849 . 12 1 1 A 67 67 TYR HA H 67 5.110 5.119 -0.009 1 1 856 . 12 1 1 A 67 67 TYR C C 67 173.900 174.277 -0.377 1 1 857 . 12 1 1 A 67 67 TYR CA C 67 57.500 56.164 1.336 1 1 858 . 12 1 1 A 67 67 TYR CB C 67 43.900 43.153 0.747 1 1 863 . 12 1 1 A 67 67 TYR N N 67 119.000 122.281 -3.281 1 1 864 . 12 1 1 A 68 68 LEU H H 68 9.230 8.993 0.237 1 1 865 . 12 1 1 A 68 68 LEU HA H 68 5.000 5.219 -0.219 1 1 875 . 12 1 1 A 68 68 LEU C C 68 175.300 174.547 0.753 1 1 876 . 12 1 1 A 68 68 LEU CA C 68 54.300 53.763 0.537 1 1 877 . 12 1 1 A 68 68 LEU CB C 68 43.800 45.203 -1.403 1 1 881 . 12 1 1 A 68 68 LEU N N 68 121.800 124.697 -2.897 1 1 882 . 12 1 1 A 69 69 LEU H H 69 9.460 9.013 0.447 1 1 883 . 12 1 1 A 69 69 LEU HA H 69 5.010 5.277 -0.267 1 1 893 . 12 1 1 A 69 69 LEU C C 69 175.000 175.389 -0.389 1 1 894 . 12 1 1 A 69 69 LEU CA C 69 54.100 53.756 0.344 1 1 895 . 12 1 1 A 69 69 LEU CB C 69 42.300 43.149 -0.849 1 1 899 . 12 1 1 A 69 69 LEU N N 69 128.500 128.275 0.225 1 1 900 . 12 1 1 A 70 70 ARG H H 70 8.910 8.512 0.398 1 1 901 . 12 1 1 A 70 70 ARG HA H 70 4.850 4.777 0.073 1 1 909 . 12 1 1 A 70 70 ARG C C 70 176.400 176.727 -0.327 1 1 910 . 12 1 1 A 70 70 ARG CA C 70 54.900 54.796 0.104 1 1 911 . 12 1 1 A 70 70 ARG CB C 70 32.300 32.596 -0.296 1 1 914 . 12 1 1 A 70 70 ARG N N 70 121.500 123.898 -2.398 1 1 916 . 12 1 1 A 71 71 SER H H 71 8.800 8.996 -0.196 1 1 917 . 12 1 1 A 71 71 SER HA H 71 3.870 4.351 -0.481 1 1 920 . 12 1 1 A 71 71 SER C C 71 175.800 174.281 1.519 1 1 921 . 12 1 1 A 71 71 SER CA C 71 58.600 59.193 -0.593 1 1 922 . 12 1 1 A 71 71 SER CB C 71 62.000 60.887 1.113 1 1 923 . 12 1 1 A 71 71 SER N N 71 114.400 119.163 -4.763 1 1 924 . 12 1 1 A 72 72 VAL H H 72 8.750 7.838 0.912 1 1 925 . 12 1 1 A 72 72 VAL HA H 72 4.610 4.857 -0.247 1 1 933 . 12 1 1 A 72 72 VAL C C 72 173.300 174.150 -0.850 1 1 934 . 12 1 1 A 72 72 VAL CA C 72 59.300 60.018 -0.718 1 1 935 . 12 1 1 A 72 72 VAL CB C 72 31.900 33.598 -1.698 1 1 938 . 12 1 1 A 72 72 VAL N N 72 115.500 118.307 -2.807 1 1 939 . 12 1 1 A 73 73 VAL H H 73 7.940 8.716 -0.776 1 1 940 . 12 1 1 A 73 73 VAL HA H 73 4.760 4.602 0.158 1 1 948 . 12 1 1 A 73 73 VAL C C 73 174.300 173.684 0.616 1 1 949 . 12 1 1 A 73 73 VAL CA C 73 58.800 59.511 -0.711 1 1 950 . 12 1 1 A 73 73 VAL CB C 73 34.500 33.843 0.657 1 1 953 . 12 1 1 A 73 73 VAL N N 73 118.200 122.486 -4.286 1 1 954 . 12 1 1 A 74 74 VAL H H 74 8.430 8.241 0.189 1 1 955 . 12 1 1 A 74 74 VAL HA H 74 4.560 4.513 0.047 1 1 963 . 12 1 1 A 74 74 VAL C C 74 177.300 175.806 1.494 1 1 964 . 12 1 1 A 74 74 VAL CA C 74 62.100 60.900 1.200 1 1 965 . 12 1 1 A 74 74 VAL CB C 74 32.700 32.533 0.167 1 1 968 . 12 1 1 A 74 74 VAL N N 74 127.800 128.199 -0.399 1 1 969 . 12 1 1 A 75 75 GLY H H 75 9.040 8.825 0.215 1 1 970 . 12 1 1 A 75 75 GLY HA2 H 75 3.750 4.253 -0.503 1 1 971 . 12 1 1 A 75 75 GLY HA3 H 75 5.120 4.296 0.824 1 1 972 . 12 1 1 A 75 75 GLY C C 75 172.500 172.198 0.302 1 1 973 . 12 1 1 A 75 75 GLY CA C 75 43.700 44.089 -0.389 1 1 974 . 12 1 1 A 75 75 GLY N N 75 116.000 115.273 0.727 1 1 975 . 12 1 1 A 76 76 GLU H H 76 8.380 8.605 -0.225 1 1 976 . 12 1 1 A 76 76 GLU HA H 76 4.690 4.478 0.212 1 1 981 . 12 1 1 A 76 76 GLU C C 76 176.000 174.810 1.190 1 1 982 . 12 1 1 A 76 76 GLU CA C 76 56.100 55.862 0.238 1 1 983 . 12 1 1 A 76 76 GLU CB C 76 32.000 30.163 1.837 1 1 985 . 12 1 1 A 76 76 GLU N N 76 120.200 122.490 -2.290 1 1 986 . 12 1 1 A 77 77 TYR H H 77 8.430 8.508 -0.078 1 1 987 . 12 1 1 A 77 77 TYR HA H 77 4.570 4.963 -0.393 1 1 994 . 12 1 1 A 77 77 TYR C C 77 174.200 175.214 -1.014 1 1 995 . 12 1 1 A 77 77 TYR CA C 77 56.500 56.798 -0.298 1 1 996 . 12 1 1 A 77 77 TYR CB C 77 39.800 38.932 0.868 1 1 1001 . 12 1 1 A 77 77 TYR N N 77 124.400 129.489 -5.089 1 1 1002 . 12 1 1 A 78 78 ASN H H 78 9.100 8.728 0.372 1 1 1003 . 12 1 1 A 78 78 ASN HA H 78 4.000 4.146 -0.146 1 1 1008 . 12 1 1 A 78 78 ASN C C 78 177.300 175.541 1.759 1 1 1009 . 12 1 1 A 78 78 ASN CA C 78 54.700 55.093 -0.393 1 1 1010 . 12 1 1 A 78 78 ASN CB C 78 36.600 37.029 -0.429 1 1 1011 . 12 1 1 A 78 78 ASN N N 78 125.800 123.980 1.820 1 1 1013 . 12 1 1 A 79 79 ASP H H 79 8.640 8.258 0.382 1 1 1014 . 12 1 1 A 79 79 ASP HA H 79 4.240 4.567 -0.327 1 1 1017 . 12 1 1 A 79 79 ASP C C 79 174.600 175.581 -0.981 1 1 1018 . 12 1 1 A 79 79 ASP CA C 79 54.900 54.824 0.076 1 1 1019 . 12 1 1 A 79 79 ASP CB C 79 39.700 41.266 -1.566 1 1 1020 . 12 1 1 A 79 79 ASP N N 79 115.700 123.956 -8.256 1 1 1021 . 12 1 1 A 80 80 ARG H H 80 7.880 7.751 0.129 1 1 1022 . 12 1 1 A 80 80 ARG HA H 80 4.370 4.779 -0.409 1 1 1030 . 12 1 1 A 80 80 ARG C C 80 175.000 175.083 -0.083 1 1 1031 . 12 1 1 A 80 80 ARG CA C 80 54.200 54.118 0.082 1 1 1032 . 12 1 1 A 80 80 ARG CB C 80 31.800 32.425 -0.625 1 1 1035 . 12 1 1 A 80 80 ARG N N 80 119.700 117.940 1.760 1 1 1037 . 12 1 1 A 81 81 PHE H H 81 8.410 9.004 -0.594 1 1 1038 . 12 1 1 A 81 81 PHE HA H 81 5.420 5.181 0.239 1 1 1046 . 12 1 1 A 81 81 PHE C C 81 174.400 175.264 -0.864 1 1 1047 . 12 1 1 A 81 81 PHE CA C 81 57.200 57.095 0.105 1 1 1048 . 12 1 1 A 81 81 PHE CB C 81 42.000 41.786 0.214 1 1 1054 . 12 1 1 A 81 81 PHE N N 81 120.700 118.706 1.994 1 1 1055 . 12 1 1 A 82 82 GLN H H 82 8.950 8.684 0.266 1 1 1056 . 12 1 1 A 82 82 GLN HA H 82 5.110 5.006 0.104 1 1 1063 . 12 1 1 A 82 82 GLN C C 82 172.400 174.389 -1.989 1 1 1064 . 12 1 1 A 82 82 GLN CA C 82 53.500 54.408 -0.908 1 1 1065 . 12 1 1 A 82 82 GLN CB C 82 31.900 33.374 -1.474 1 1 1067 . 12 1 1 A 82 82 GLN N N 82 115.000 119.543 -4.543 1 1 1069 . 12 1 1 A 83 83 VAL H H 83 9.090 8.453 0.637 1 1 1070 . 12 1 1 A 83 83 VAL HA H 83 4.380 4.678 -0.298 1 1 1078 . 12 1 1 A 83 83 VAL C C 83 174.600 175.110 -0.510 1 1 1079 . 12 1 1 A 83 83 VAL CA C 83 61.600 61.720 -0.120 1 1 1080 . 12 1 1 A 83 83 VAL CB C 83 33.500 32.735 0.765 1 1 1083 . 12 1 1 A 83 83 VAL N N 83 118.900 121.967 -3.067 1 1 1084 . 12 1 1 A 84 84 GLN H H 84 9.280 8.641 0.639 1 1 1085 . 12 1 1 A 84 84 GLN HA H 84 5.020 4.988 0.032 1 1 1092 . 12 1 1 A 84 84 GLN C C 84 174.500 174.658 -0.158 1 1 1093 . 12 1 1 A 84 84 GLN CA C 84 54.400 54.985 -0.585 1 1 1094 . 12 1 1 A 84 84 GLN CB C 84 29.900 31.036 -1.136 1 1 1096 . 12 1 1 A 84 84 GLN N N 84 124.800 127.154 -2.354 1 1 1098 . 12 1 1 A 85 85 VAL H H 85 8.680 8.710 -0.030 1 1 1099 . 12 1 1 A 85 85 VAL HA H 85 4.300 4.862 -0.562 1 1 1107 . 12 1 1 A 85 85 VAL C C 85 174.500 175.098 -0.598 1 1 1108 . 12 1 1 A 85 85 VAL CA C 85 61.700 61.618 0.082 1 1 1109 . 12 1 1 A 85 85 VAL CB C 85 31.700 33.051 -1.351 1 1 1112 . 12 1 1 A 85 85 VAL N N 85 125.500 124.612 0.888 1 1 1113 . 12 1 1 A 86 86 ASN H H 86 8.740 8.704 0.036 1 1 1114 . 12 1 1 A 86 86 ASN HA H 86 5.240 5.204 0.036 1 1 1119 . 12 1 1 A 86 86 ASN C C 86 175.300 176.102 -0.802 1 1 1120 . 12 1 1 A 86 86 ASN CA C 86 51.800 50.907 0.893 1 1 1121 . 12 1 1 A 86 86 ASN CB C 86 42.400 40.264 2.136 1 1 1122 . 12 1 1 A 86 86 ASN N N 86 124.000 125.513 -1.513 1 1 1124 . 12 1 1 A 87 87 LYS H H 87 8.530 8.895 -0.365 1 1 1125 . 12 1 1 A 87 87 LYS HA H 87 4.210 4.065 0.145 1 1 1134 . 12 1 1 A 87 87 LYS C C 87 176.700 178.544 -1.844 1 1 1135 . 12 1 1 A 87 87 LYS CA C 87 59.000 59.819 -0.819 1 1 1136 . 12 1 1 A 87 87 LYS CB C 87 32.400 32.144 0.256 1 1 1140 . 12 1 1 A 87 87 LYS N N 87 117.600 119.544 -1.944 1 1 1141 . 12 1 1 A 88 88 ASN H H 88 8.600 8.055 0.545 1 1 1142 . 12 1 1 A 88 88 ASN HA H 88 4.810 4.646 0.164 1 1 1147 . 12 1 1 A 88 88 ASN C C 88 175.600 175.817 -0.217 1 1 1148 . 12 1 1 A 88 88 ASN CA C 88 54.100 54.967 -0.867 1 1 1149 . 12 1 1 A 88 88 ASN CB C 88 39.100 38.151 0.949 1 1 1150 . 12 1 1 A 88 88 ASN N N 88 115.500 117.165 -1.665 1 1 1152 . 12 1 1 A 89 89 SER H H 89 8.150 7.870 0.280 1 1 1153 . 12 1 1 A 89 89 SER HA H 89 5.120 5.092 0.028 1 1 1156 . 12 1 1 A 89 89 SER C C 89 172.400 173.723 -1.323 1 1 1157 . 12 1 1 A 89 89 SER CA C 89 58.100 58.195 -0.095 1 1 1158 . 12 1 1 A 89 89 SER CB C 89 64.000 65.268 -1.268 1 1 1159 . 12 1 1 A 89 89 SER N N 89 117.500 116.786 0.714 1 1 1160 . 12 1 1 A 90 90 SER H H 90 8.200 8.573 -0.373 1 1 1161 . 12 1 1 A 90 90 SER HA H 90 4.680 5.381 -0.701 1 1 1164 . 12 1 1 A 90 90 SER C C 90 172.400 173.015 -0.615 1 1 1165 . 12 1 1 A 90 90 SER CA C 90 57.700 56.910 0.790 1 1 1166 . 12 1 1 A 90 90 SER CB C 90 65.700 66.261 -0.561 1 1 1167 . 12 1 1 A 90 90 SER N N 90 113.200 116.432 -3.232 1 1 1168 . 12 1 1 A 91 91 ILE H H 91 8.640 8.941 -0.301 1 1 1169 . 12 1 1 A 91 91 ILE HA H 91 5.030 5.212 -0.182 1 1 1179 . 12 1 1 A 91 91 ILE C C 91 175.300 174.620 0.680 1 1 1180 . 12 1 1 A 91 91 ILE CA C 91 60.200 60.399 -0.199 1 1 1181 . 12 1 1 A 91 91 ILE CB C 91 42.200 40.889 1.311 1 1 1185 . 12 1 1 A 91 91 ILE N N 91 119.700 123.428 -3.728 1 1 1186 . 12 1 1 A 92 92 GLU H H 92 8.810 8.807 0.003 1 1 1187 . 12 1 1 A 92 92 GLU HA H 92 4.710 5.071 -0.361 1 1 1192 . 12 1 1 A 92 92 GLU C C 92 174.700 174.861 -0.161 1 1 1193 . 12 1 1 A 92 92 GLU CA C 92 54.600 54.435 0.165 1 1 1194 . 12 1 1 A 92 92 GLU CB C 92 33.300 33.381 -0.081 1 1 1196 . 12 1 1 A 92 92 GLU N N 92 125.900 126.216 -0.316 1 1 1197 . 12 1 1 A 93 93 LYS H H 93 9.080 8.505 0.575 1 1 1198 . 12 1 1 A 93 93 LYS HA H 93 4.100 4.395 -0.295 1 1 1207 . 12 1 1 A 93 93 LYS C C 93 176.400 175.793 0.607 1 1 1208 . 12 1 1 A 93 93 LYS CA C 93 57.500 56.328 1.172 1 1 1209 . 12 1 1 A 93 93 LYS CB C 93 32.900 33.043 -0.143 1 1 1213 . 12 1 1 A 93 93 LYS N N 93 127.600 124.135 3.465 1 1 1214 . 12 1 1 A 94 94 LEU H H 94 8.410 8.520 -0.110 1 1 1215 . 12 1 1 A 94 94 LEU HA H 94 4.480 4.841 -0.361 1 1 1224 . 12 1 1 A 94 94 LEU C C 94 177.300 176.587 0.713 1 1 1225 . 12 1 1 A 94 94 LEU CA C 94 53.900 53.318 0.582 1 1 1226 . 12 1 1 A 94 94 LEU CB C 94 42.900 43.535 -0.635 1 1 1230 . 12 1 1 A 94 94 LEU N N 94 127.300 127.579 -0.279 1 1 1231 . 12 1 1 A 95 95 SER H H 95 8.630 8.638 -0.008 1 1 1232 . 12 1 1 A 95 95 SER HA H 95 4.350 4.546 -0.196 1 1 1235 . 12 1 1 A 95 95 SER C C 95 173.800 173.840 -0.040 1 1 1236 . 12 1 1 A 95 95 SER CA C 95 58.900 58.983 -0.083 1 1 1237 . 12 1 1 A 95 95 SER CB C 95 63.400 63.850 -0.450 1 1 1238 . 12 1 1 A 95 95 SER N N 95 115.700 117.113 -1.413 1 1 1239 . 12 1 1 A 96 96 GLU H H 96 7.230 7.808 -0.578 1 1 1240 . 12 1 1 A 96 96 GLU HA H 96 4.750 4.658 0.092 1 1 1245 . 12 1 1 A 96 96 GLU CA C 96 53.000 53.692 -0.692 1 1 1246 . 12 1 1 A 96 96 GLU CB C 96 30.700 30.801 -0.101 1 1 1248 . 12 1 1 A 96 96 GLU N N 96 121.600 123.454 -1.854 1 1 1249 . 12 1 1 A 97 97 PRO HA H 97 4.250 4.825 -0.575 1 1 1256 . 12 1 1 A 97 97 PRO CA C 97 62.400 62.218 0.182 1 1 1257 . 12 1 1 A 97 97 PRO CB C 97 32.600 32.599 0.001 1 1 1260 . 12 1 1 A 98 98 ILE H H 98 7.920 8.391 -0.471 1 1 1261 . 12 1 1 A 98 98 ILE HA H 98 4.070 4.512 -0.442 1 1 1271 . 12 1 1 A 98 98 ILE C C 98 175.400 176.592 -1.192 1 1 1272 . 12 1 1 A 98 98 ILE CA C 98 59.300 59.575 -0.275 1 1 1273 . 12 1 1 A 98 98 ILE CB C 98 38.300 40.209 -1.909 1 1 1277 . 12 1 1 A 98 98 ILE N N 98 122.700 122.274 0.426 1 1 1278 . 12 1 1 A 99 99 GLU H H 99 8.550 8.887 -0.337 1 1 1279 . 12 1 1 A 99 99 GLU HA H 99 4.260 4.015 0.245 1 1 1284 . 12 1 1 A 99 99 GLU C C 99 175.100 177.147 -2.047 1 1 1285 . 12 1 1 A 99 99 GLU CA C 99 55.500 59.220 -3.720 1 1 1286 . 12 1 1 A 99 99 GLU CB C 99 30.000 29.361 0.639 1 1 1288 . 12 1 1 A 99 99 GLU N N 99 127.900 125.086 2.814 1 1 1289 . 12 1 1 A 100 100 VAL H H 100 7.970 8.059 -0.089 1 1 1290 . 12 1 1 A 100 100 VAL HA H 100 3.980 3.819 0.161 1 1 1298 . 12 1 1 A 100 100 VAL C C 100 176.700 175.932 0.768 1 1 1299 . 12 1 1 A 100 100 VAL CA C 100 61.000 63.055 -2.055 1 1 1300 . 12 1 1 A 100 100 VAL CB C 100 33.000 29.598 3.402 1 1 1303 . 12 1 1 A 100 100 VAL N N 100 121.100 118.764 2.336 1 1 1304 . 12 1 1 A 101 101 GLY H H 101 8.520 8.622 -0.102 1 1 1305 . 12 1 1 A 101 101 GLY HA2 H 101 3.830 3.900 -0.070 1 1 1306 . 12 1 1 A 101 101 GLY HA3 H 101 3.980 3.923 0.057 1 1 1307 . 12 1 1 A 101 101 GLY C C 101 174.200 174.320 -0.120 1 1 1308 . 12 1 1 A 101 101 GLY CA C 101 45.800 46.688 -0.888 1 1 1309 . 12 1 1 A 101 101 GLY N N 101 114.000 109.825 4.175 1 1 1310 . 12 1 1 A 102 102 LEU H H 102 8.100 7.945 0.155 1 1 1311 . 12 1 1 A 102 102 LEU HA H 102 4.170 4.578 -0.408 1 1 1320 . 12 1 1 A 102 102 LEU C C 102 177.700 176.471 1.229 1 1 1321 . 12 1 1 A 102 102 LEU CA C 102 55.500 53.674 1.826 1 1 1322 . 12 1 1 A 102 102 LEU CB C 102 42.600 43.457 -0.857 1 1 1326 . 12 1 1 A 102 102 LEU N N 102 121.000 121.731 -0.731 1 1 1327 . 12 1 1 A 103 103 GLU H H 103 8.420 9.092 -0.672 1 1 1328 . 12 1 1 A 103 103 GLU HA H 103 4.090 3.595 0.495 1 1 1333 . 12 1 1 A 103 103 GLU C C 103 176.400 176.066 0.334 1 1 1334 . 12 1 1 A 103 103 GLU CA C 103 57.100 58.751 -1.651 1 1 1335 . 12 1 1 A 103 103 GLU CB C 103 29.900 29.375 0.525 1 1 1337 . 12 1 1 A 103 103 GLU N N 103 120.000 127.767 -7.767 1 1 1338 . 12 1 1 A 104 104 HIS H H 104 8.180 8.103 0.077 1 1 1339 . 12 1 1 A 104 104 HIS HA H 104 4.580 4.207 0.373 1 1 1342 . 12 1 1 A 104 104 HIS C C 104 173.800 175.132 -1.332 1 1 1343 . 12 1 1 A 104 104 HIS CA C 104 55.700 56.832 -1.132 1 1 1344 . 12 1 1 A 104 104 HIS CB C 104 30.000 29.208 0.792 1 1 1345 . 12 1 1 A 104 104 HIS N N 104 119.000 118.312 0.688 1 1 1346 . 12 1 1 A 105 105 HIS H H 105 8.160 7.692 0.468 1 1 1347 . 12 1 1 A 105 105 HIS HA H 105 4.380 4.147 0.233 1 1 1350 . 12 1 1 A 105 105 HIS CA C 105 57.200 58.810 -1.610 1 1 1351 . 12 1 1 A 105 105 HIS CB C 105 30.000 29.326 0.674 1 1 1 . 13 1 1 A 3 3 PRO HA H 3 4.430 4.545 -0.115 1 1 8 . 13 1 1 A 3 3 PRO C C 3 175.600 176.048 -0.448 1 1 9 . 13 1 1 A 3 3 PRO CA C 3 62.510 62.664 -0.154 1 1 10 . 13 1 1 A 3 3 PRO CB C 3 32.000 32.422 -0.422 1 1 13 . 13 1 1 A 4 4 GLN H H 4 8.580 8.466 0.114 1 1 14 . 13 1 1 A 4 4 GLN HA H 4 4.260 4.558 -0.298 1 1 21 . 13 1 1 A 4 4 GLN C C 4 176.900 175.038 1.862 1 1 22 . 13 1 1 A 4 4 GLN CA C 4 55.700 55.431 0.269 1 1 23 . 13 1 1 A 4 4 GLN CB C 4 29.200 29.265 -0.065 1 1 25 . 13 1 1 A 4 4 GLN N N 4 120.000 121.244 -1.244 1 1 27 . 13 1 1 A 5 5 LEU H H 5 8.920 8.986 -0.066 1 1 28 . 13 1 1 A 5 5 LEU HA H 5 4.660 4.953 -0.293 1 1 38 . 13 1 1 A 5 5 LEU C C 5 176.900 176.168 0.732 1 1 39 . 13 1 1 A 5 5 LEU CA C 5 54.700 53.980 0.720 1 1 40 . 13 1 1 A 5 5 LEU CB C 5 43.000 43.512 -0.512 1 1 44 . 13 1 1 A 5 5 LEU N N 5 128.500 129.174 -0.674 1 1 45 . 13 1 1 A 6 6 THR H H 6 8.750 9.109 -0.359 1 1 46 . 13 1 1 A 6 6 THR HA H 6 4.530 4.990 -0.460 1 1 51 . 13 1 1 A 6 6 THR C C 6 173.700 173.492 0.208 1 1 52 . 13 1 1 A 6 6 THR CA C 6 61.600 61.342 0.258 1 1 53 . 13 1 1 A 6 6 THR CB C 6 72.000 71.451 0.549 1 1 55 . 13 1 1 A 6 6 THR N N 6 121.000 121.124 -0.124 1 1 56 . 13 1 1 A 7 7 LYS H H 7 9.080 8.931 0.149 1 1 57 . 13 1 1 A 7 7 LYS HA H 7 4.430 4.467 -0.037 1 1 66 . 13 1 1 A 7 7 LYS C C 7 178.600 177.875 0.725 1 1 67 . 13 1 1 A 7 7 LYS CA C 7 54.300 55.072 -0.772 1 1 68 . 13 1 1 A 7 7 LYS CB C 7 32.300 33.663 -1.363 1 1 72 . 13 1 1 A 7 7 LYS N N 7 126.300 124.467 1.833 1 1 73 . 13 1 1 A 8 8 ILE H H 8 9.870 8.658 1.212 1 1 74 . 13 1 1 A 8 8 ILE HA H 8 3.240 3.708 -0.468 1 1 82 . 13 1 1 A 8 8 ILE C C 8 178.700 178.206 0.494 1 1 83 . 13 1 1 A 8 8 ILE CA C 8 66.800 64.289 2.511 1 1 84 . 13 1 1 A 8 8 ILE CB C 8 36.400 37.756 -1.356 1 1 87 . 13 1 1 A 8 8 ILE N N 8 124.700 124.363 0.337 1 1 88 . 13 1 1 A 9 9 VAL H H 9 8.340 7.957 0.383 1 1 89 . 13 1 1 A 9 9 VAL HA H 9 3.930 3.909 0.021 1 1 97 . 13 1 1 A 9 9 VAL C C 9 178.700 176.778 1.922 1 1 98 . 13 1 1 A 9 9 VAL CA C 9 63.300 64.296 -0.996 1 1 99 . 13 1 1 A 9 9 VAL CB C 9 31.700 31.610 0.090 1 1 102 . 13 1 1 A 9 9 VAL N N 9 119.500 120.946 -1.446 1 1 103 . 13 1 1 A 10 10 ASP H H 10 7.510 8.319 -0.809 1 1 104 . 13 1 1 A 10 10 ASP HA H 10 4.730 4.689 0.041 1 1 107 . 13 1 1 A 10 10 ASP C C 10 174.500 176.176 -1.676 1 1 108 . 13 1 1 A 10 10 ASP CA C 10 54.400 53.217 1.183 1 1 109 . 13 1 1 A 10 10 ASP CB C 10 41.100 40.893 0.207 1 1 110 . 13 1 1 A 10 10 ASP N N 10 119.100 119.949 -0.849 1 1 111 . 13 1 1 A 11 11 ILE H H 11 7.460 7.412 0.048 1 1 112 . 13 1 1 A 11 11 ILE HA H 11 3.800 4.115 -0.315 1 1 122 . 13 1 1 A 11 11 ILE C C 11 174.900 176.461 -1.561 1 1 123 . 13 1 1 A 11 11 ILE CA C 11 62.100 60.643 1.457 1 1 124 . 13 1 1 A 11 11 ILE CB C 11 35.300 38.079 -2.779 1 1 128 . 13 1 1 A 11 11 ILE N N 11 124.200 121.567 2.633 1 1 129 . 13 1 1 A 12 12 VAL H H 12 8.530 8.623 -0.093 1 1 130 . 13 1 1 A 12 12 VAL HA H 12 4.260 4.138 0.122 1 1 138 . 13 1 1 A 12 12 VAL C C 12 174.900 175.133 -0.233 1 1 139 . 13 1 1 A 12 12 VAL CA C 12 60.600 61.084 -0.484 1 1 140 . 13 1 1 A 12 12 VAL CB C 12 35.400 33.947 1.453 1 1 143 . 13 1 1 A 12 12 VAL N N 12 118.400 119.194 -0.794 1 1 144 . 13 1 1 A 13 13 GLU H H 13 7.430 7.290 0.140 1 1 145 . 13 1 1 A 13 13 GLU HA H 13 4.590 4.751 -0.161 1 1 150 . 13 1 1 A 13 13 GLU C C 13 173.800 174.656 -0.856 1 1 151 . 13 1 1 A 13 13 GLU CA C 13 54.800 54.365 0.435 1 1 152 . 13 1 1 A 13 13 GLU CB C 13 33.160 32.308 0.852 1 1 154 . 13 1 1 A 13 13 GLU N N 13 120.100 120.899 -0.799 1 1 155 . 13 1 1 A 14 14 ASN H H 14 8.800 8.826 -0.026 1 1 156 . 13 1 1 A 14 14 ASN HA H 14 4.110 4.758 -0.648 1 1 161 . 13 1 1 A 14 14 ASN C C 14 176.600 176.517 0.083 1 1 162 . 13 1 1 A 14 14 ASN CA C 14 54.600 54.006 0.594 1 1 163 . 13 1 1 A 14 14 ASN CB C 14 38.900 39.035 -0.135 1 1 164 . 13 1 1 A 14 14 ASN N N 14 121.500 122.567 -1.067 1 1 166 . 13 1 1 A 15 15 GLY H H 15 8.620 8.532 0.088 1 1 167 . 13 1 1 A 15 15 GLY HA2 H 15 3.460 3.707 -0.247 1 1 168 . 13 1 1 A 15 15 GLY HA3 H 15 4.110 3.795 0.315 1 1 169 . 13 1 1 A 15 15 GLY C C 15 173.100 173.792 -0.692 1 1 170 . 13 1 1 A 15 15 GLY CA C 15 45.300 45.603 -0.303 1 1 171 . 13 1 1 A 15 15 GLY N N 15 114.900 113.459 1.441 1 1 172 . 13 1 1 A 16 16 GLN H H 16 7.280 7.780 -0.500 1 1 173 . 13 1 1 A 16 16 GLN HA H 16 4.160 4.680 -0.520 1 1 180 . 13 1 1 A 16 16 GLN C C 16 174.400 174.501 -0.101 1 1 181 . 13 1 1 A 16 16 GLN CA C 16 56.300 54.771 1.529 1 1 182 . 13 1 1 A 16 16 GLN CB C 16 30.300 30.505 -0.205 1 1 184 . 13 1 1 A 16 16 GLN N N 16 121.500 117.032 4.468 1 1 186 . 13 1 1 A 17 17 TRP H H 17 8.640 8.855 -0.215 1 1 187 . 13 1 1 A 17 17 TRP HA H 17 5.400 5.340 0.060 1 1 196 . 13 1 1 A 17 17 TRP C C 17 176.900 175.971 0.929 1 1 197 . 13 1 1 A 17 17 TRP CA C 17 56.400 56.320 0.080 1 1 198 . 13 1 1 A 17 17 TRP CB C 17 30.300 31.141 -0.841 1 1 204 . 13 1 1 A 17 17 TRP N N 17 125.500 122.175 3.325 1 1 206 . 13 1 1 A 18 18 ALA H H 18 9.020 8.728 0.292 1 1 207 . 13 1 1 A 18 18 ALA HA H 18 4.650 4.911 -0.261 1 1 211 . 13 1 1 A 18 18 ALA C C 18 174.100 175.165 -1.065 1 1 212 . 13 1 1 A 18 18 ALA CA C 18 51.430 51.282 0.148 1 1 213 . 13 1 1 A 18 18 ALA CB C 18 22.600 23.458 -0.858 1 1 214 . 13 1 1 A 18 18 ALA N N 18 124.000 122.552 1.448 1 1 215 . 13 1 1 A 19 19 ASN H H 19 8.250 8.201 0.049 1 1 216 . 13 1 1 A 19 19 ASN HA H 19 5.710 5.649 0.061 1 1 221 . 13 1 1 A 19 19 ASN C C 19 173.500 174.269 -0.769 1 1 222 . 13 1 1 A 19 19 ASN CA C 19 51.600 51.928 -0.328 1 1 223 . 13 1 1 A 19 19 ASN CB C 19 40.100 41.958 -1.858 1 1 224 . 13 1 1 A 19 19 ASN N N 19 116.500 116.675 -0.175 1 1 226 . 13 1 1 A 20 20 LEU H H 20 9.280 8.619 0.661 1 1 227 . 13 1 1 A 20 20 LEU HA H 20 4.930 5.050 -0.120 1 1 236 . 13 1 1 A 20 20 LEU C C 20 174.800 174.047 0.753 1 1 237 . 13 1 1 A 20 20 LEU CA C 20 54.200 54.138 0.062 1 1 238 . 13 1 1 A 20 20 LEU CB C 20 46.300 46.159 0.141 1 1 241 . 13 1 1 A 20 20 LEU N N 20 121.800 124.274 -2.474 1 1 242 . 13 1 1 A 21 21 LYS H H 21 8.550 9.061 -0.511 1 1 243 . 13 1 1 A 21 21 LYS HA H 21 5.450 5.303 0.147 1 1 252 . 13 1 1 A 21 21 LYS C C 21 174.800 175.099 -0.299 1 1 253 . 13 1 1 A 21 21 LYS CA C 21 55.350 54.667 0.683 1 1 254 . 13 1 1 A 21 21 LYS CB C 21 34.300 35.594 -1.294 1 1 258 . 13 1 1 A 21 21 LYS N N 21 122.500 127.847 -5.347 1 1 259 . 13 1 1 A 22 22 ALA H H 22 9.090 8.351 0.739 1 1 260 . 13 1 1 A 22 22 ALA HA H 22 4.830 4.758 0.072 1 1 264 . 13 1 1 A 22 22 ALA C C 22 173.800 175.849 -2.049 1 1 265 . 13 1 1 A 22 22 ALA CA C 22 51.300 51.309 -0.009 1 1 266 . 13 1 1 A 22 22 ALA CB C 22 24.700 22.583 2.117 1 1 267 . 13 1 1 A 22 22 ALA N N 22 123.200 126.705 -3.505 1 1 268 . 13 1 1 A 23 23 LYS H H 23 9.190 8.401 0.789 1 1 269 . 13 1 1 A 23 23 LYS HA H 23 5.080 5.104 -0.024 1 1 276 . 13 1 1 A 23 23 LYS C C 23 176.900 175.065 1.835 1 1 277 . 13 1 1 A 23 23 LYS CA C 23 54.100 54.501 -0.401 1 1 278 . 13 1 1 A 23 23 LYS CB C 23 35.800 36.112 -0.312 1 1 281 . 13 1 1 A 23 23 LYS N N 23 121.100 115.344 5.756 1 1 282 . 13 1 1 A 24 24 VAL H H 24 8.620 8.670 -0.050 1 1 283 . 13 1 1 A 24 24 VAL HA H 24 4.110 4.295 -0.185 1 1 291 . 13 1 1 A 24 24 VAL C C 24 175.800 177.034 -1.234 1 1 292 . 13 1 1 A 24 24 VAL CA C 24 62.750 63.049 -0.299 1 1 293 . 13 1 1 A 24 24 VAL CB C 24 30.500 31.229 -0.729 1 1 296 . 13 1 1 A 24 24 VAL N N 24 125.600 122.481 3.119 1 1 297 . 13 1 1 A 25 25 ILE H H 25 8.430 8.290 0.140 1 1 298 . 13 1 1 A 25 25 ILE HA H 25 4.210 4.141 0.069 1 1 308 . 13 1 1 A 25 25 ILE C C 25 176.700 175.970 0.730 1 1 309 . 13 1 1 A 25 25 ILE CA C 25 62.100 62.945 -0.845 1 1 310 . 13 1 1 A 25 25 ILE CB C 25 38.300 38.217 0.083 1 1 314 . 13 1 1 A 25 25 ILE N N 25 127.400 124.647 2.753 1 1 315 . 13 1 1 A 26 26 GLN H H 26 7.590 7.659 -0.069 1 1 316 . 13 1 1 A 26 26 GLN HA H 26 4.560 4.743 -0.183 1 1 323 . 13 1 1 A 26 26 GLN C C 26 173.700 174.085 -0.385 1 1 324 . 13 1 1 A 26 26 GLN CA C 26 55.400 55.465 -0.065 1 1 325 . 13 1 1 A 26 26 GLN CB C 26 34.100 32.311 1.789 1 1 327 . 13 1 1 A 26 26 GLN N N 26 117.100 120.529 -3.429 1 1 329 . 13 1 1 A 27 27 LEU H H 27 8.470 8.751 -0.281 1 1 330 . 13 1 1 A 27 27 LEU HA H 27 4.710 5.376 -0.666 1 1 340 . 13 1 1 A 27 27 LEU C C 27 176.200 175.391 0.809 1 1 341 . 13 1 1 A 27 27 LEU CA C 27 54.100 53.045 1.055 1 1 342 . 13 1 1 A 27 27 LEU CB C 27 44.000 45.976 -1.976 1 1 346 . 13 1 1 A 27 27 LEU N N 27 123.600 120.364 3.236 1 1 347 . 13 1 1 A 28 28 TRP H H 28 8.850 8.625 0.225 1 1 348 . 13 1 1 A 28 28 TRP HA H 28 5.180 5.151 0.029 1 1 357 . 13 1 1 A 28 28 TRP C C 28 175.900 174.723 1.177 1 1 358 . 13 1 1 A 28 28 TRP CA C 28 53.300 56.492 -3.192 1 1 359 . 13 1 1 A 28 28 TRP CB C 28 31.400 32.689 -1.289 1 1 365 . 13 1 1 A 28 28 TRP N N 28 123.900 121.480 2.420 1 1 367 . 13 1 1 A 29 29 GLU H H 29 8.620 8.525 0.095 1 1 368 . 13 1 1 A 29 29 GLU HA H 29 4.250 4.871 -0.621 1 1 373 . 13 1 1 A 29 29 GLU C C 29 175.700 176.178 -0.478 1 1 374 . 13 1 1 A 29 29 GLU CA C 29 56.800 56.101 0.699 1 1 375 . 13 1 1 A 29 29 GLU CB C 29 30.000 31.081 -1.081 1 1 377 . 13 1 1 A 29 29 GLU N N 29 120.700 125.775 -5.075 1 1 378 . 13 1 1 A 30 30 ASN H H 30 8.720 8.824 -0.104 1 1 379 . 13 1 1 A 30 30 ASN HA H 30 4.870 5.468 -0.598 1 1 384 . 13 1 1 A 30 30 ASN C C 30 174.800 173.802 0.998 1 1 385 . 13 1 1 A 30 30 ASN CA C 30 53.800 52.270 1.530 1 1 386 . 13 1 1 A 30 30 ASN CB C 30 41.200 42.552 -1.352 1 1 387 . 13 1 1 A 30 30 ASN N N 30 121.400 121.139 0.261 1 1 389 . 13 1 1 A 31 31 THR H H 31 8.300 8.635 -0.335 1 1 390 . 13 1 1 A 31 31 THR HA H 31 4.430 4.896 -0.466 1 1 395 . 13 1 1 A 31 31 THR C C 31 174.200 174.562 -0.362 1 1 396 . 13 1 1 A 31 31 THR CA C 31 61.000 60.973 0.027 1 1 397 . 13 1 1 A 31 31 THR CB C 31 69.600 69.570 0.030 1 1 399 . 13 1 1 A 31 31 THR N N 31 114.200 113.989 0.211 1 1 400 . 13 1 1 A 32 32 HIS H H 32 7.840 7.795 0.045 1 1 401 . 13 1 1 A 32 32 HIS HA H 32 4.560 4.177 0.383 1 1 405 . 13 1 1 A 32 32 HIS C C 32 177.300 174.617 2.683 1 1 406 . 13 1 1 A 32 32 HIS CA C 32 57.600 60.069 -2.469 1 1 407 . 13 1 1 A 32 32 HIS CB C 32 32.000 30.371 1.629 1 1 409 . 13 1 1 A 32 32 HIS N N 32 122.500 124.126 -1.626 1 1 410 . 13 1 1 A 33 33 GLU H H 33 9.020 7.693 1.327 1 1 411 . 13 1 1 A 33 33 GLU HA H 33 4.120 4.398 -0.278 1 1 416 . 13 1 1 A 33 33 GLU C C 33 177.100 176.123 0.977 1 1 417 . 13 1 1 A 33 33 GLU CA C 33 59.000 57.283 1.717 1 1 418 . 13 1 1 A 33 33 GLU CB C 33 29.400 30.367 -0.967 1 1 420 . 13 1 1 A 33 33 GLU N N 33 127.300 117.474 9.826 1 1 421 . 13 1 1 A 34 34 SER H H 34 9.430 8.517 0.913 1 1 422 . 13 1 1 A 34 34 SER HA H 34 4.580 4.589 -0.009 1 1 425 . 13 1 1 A 34 34 SER C C 34 174.800 174.694 0.106 1 1 426 . 13 1 1 A 34 34 SER CA C 34 59.500 59.251 0.249 1 1 427 . 13 1 1 A 34 34 SER CB C 34 63.600 63.839 -0.239 1 1 428 . 13 1 1 A 34 34 SER N N 34 113.400 115.038 -1.638 1 1 429 . 13 1 1 A 35 35 ILE H H 35 7.920 7.729 0.191 1 1 430 . 13 1 1 A 35 35 ILE HA H 35 4.080 4.207 -0.127 1 1 440 . 13 1 1 A 35 35 ILE C C 35 174.300 175.743 -1.443 1 1 441 . 13 1 1 A 35 35 ILE CA C 35 61.600 61.884 -0.284 1 1 442 . 13 1 1 A 35 35 ILE CB C 35 40.700 37.960 2.740 1 1 446 . 13 1 1 A 35 35 ILE N N 35 125.800 124.711 1.089 1 1 447 . 13 1 1 A 36 36 SER H H 36 9.010 8.437 0.573 1 1 448 . 13 1 1 A 36 36 SER HA H 36 4.480 4.660 -0.180 1 1 451 . 13 1 1 A 36 36 SER C C 36 174.900 174.416 0.484 1 1 452 . 13 1 1 A 36 36 SER CA C 36 58.800 59.766 -0.966 1 1 453 . 13 1 1 A 36 36 SER CB C 36 64.300 64.519 -0.219 1 1 454 . 13 1 1 A 36 36 SER N N 36 119.100 121.555 -2.455 1 1 455 . 13 1 1 A 37 37 GLN H H 37 7.390 7.062 0.328 1 1 456 . 13 1 1 A 37 37 GLN HA H 37 4.690 4.749 -0.059 1 1 463 . 13 1 1 A 37 37 GLN C C 37 171.800 173.319 -1.519 1 1 464 . 13 1 1 A 37 37 GLN CA C 37 54.900 55.250 -0.350 1 1 465 . 13 1 1 A 37 37 GLN CB C 37 36.200 32.223 3.977 1 1 466 . 13 1 1 A 37 37 GLN N N 37 116.500 117.257 -0.757 1 1 468 . 13 1 1 A 38 38 VAL H H 38 8.640 9.133 -0.493 1 1 469 . 13 1 1 A 38 38 VAL HA H 38 4.160 4.603 -0.443 1 1 477 . 13 1 1 A 38 38 VAL C C 38 172.400 175.280 -2.880 1 1 478 . 13 1 1 A 38 38 VAL CA C 38 58.500 60.504 -2.004 1 1 479 . 13 1 1 A 38 38 VAL CB C 38 35.300 34.542 0.758 1 1 482 . 13 1 1 A 38 38 VAL N N 38 120.400 124.171 -3.771 1 1 483 . 13 1 1 A 39 39 GLY H H 39 6.440 7.498 -1.058 1 1 484 . 13 1 1 A 39 39 GLY HA2 H 39 3.690 4.353 -0.663 1 1 485 . 13 1 1 A 39 39 GLY HA3 H 39 1.940 4.387 -2.447 1 1 486 . 13 1 1 A 39 39 GLY C C 39 170.600 172.188 -1.588 1 1 487 . 13 1 1 A 39 39 GLY CA C 39 45.300 45.558 -0.258 1 1 488 . 13 1 1 A 39 39 GLY N N 39 109.600 112.523 -2.923 1 1 489 . 13 1 1 A 40 40 LEU H H 40 8.380 8.483 -0.103 1 1 490 . 13 1 1 A 40 40 LEU HA H 40 4.980 5.421 -0.441 1 1 499 . 13 1 1 A 40 40 LEU C C 40 176.000 175.660 0.340 1 1 500 . 13 1 1 A 40 40 LEU CA C 40 53.200 53.578 -0.378 1 1 501 . 13 1 1 A 40 40 LEU CB C 40 47.400 45.885 1.515 1 1 504 . 13 1 1 A 40 40 LEU N N 40 119.500 121.419 -1.919 1 1 505 . 13 1 1 A 41 41 LEU H H 41 9.410 8.996 0.414 1 1 506 . 13 1 1 A 41 41 LEU HA H 41 5.320 5.159 0.161 1 1 516 . 13 1 1 A 41 41 LEU C C 41 176.700 175.946 0.754 1 1 517 . 13 1 1 A 41 41 LEU CA C 41 52.400 52.940 -0.540 1 1 518 . 13 1 1 A 41 41 LEU CB C 41 44.900 43.653 1.247 1 1 522 . 13 1 1 A 41 41 LEU N N 41 122.700 122.119 0.581 1 1 523 . 13 1 1 A 42 42 GLY H H 42 9.210 9.670 -0.460 1 1 524 . 13 1 1 A 42 42 GLY HA2 H 42 3.550 4.226 -0.676 1 1 525 . 13 1 1 A 42 42 GLY HA3 H 42 5.350 4.227 1.123 1 1 526 . 13 1 1 A 42 42 GLY C C 42 171.200 172.580 -1.380 1 1 527 . 13 1 1 A 42 42 GLY CA C 42 45.700 44.778 0.922 1 1 528 . 13 1 1 A 42 42 GLY N N 42 104.600 112.535 -7.935 1 1 529 . 13 1 1 A 43 43 ASP H H 43 8.960 8.397 0.563 1 1 530 . 13 1 1 A 43 43 ASP HA H 43 4.640 4.997 -0.357 1 1 533 . 13 1 1 A 43 43 ASP C C 43 175.600 176.123 -0.523 1 1 534 . 13 1 1 A 43 43 ASP CA C 43 52.700 52.421 0.279 1 1 535 . 13 1 1 A 43 43 ASP CB C 43 41.600 41.652 -0.052 1 1 536 . 13 1 1 A 43 43 ASP N N 43 121.900 122.821 -0.921 1 1 537 . 13 1 1 A 44 44 GLU H H 44 10.150 8.654 1.496 1 1 538 . 13 1 1 A 44 44 GLU HA H 44 4.380 4.511 -0.131 1 1 543 . 13 1 1 A 44 44 GLU C C 44 176.900 177.499 -0.599 1 1 544 . 13 1 1 A 44 44 GLU CA C 44 59.300 57.103 2.197 1 1 545 . 13 1 1 A 44 44 GLU CB C 44 28.100 31.745 -3.645 1 1 547 . 13 1 1 A 44 44 GLU N N 44 118.000 118.102 -0.102 1 1 548 . 13 1 1 A 45 45 THR H H 45 9.600 7.949 1.651 1 1 549 . 13 1 1 A 45 45 THR HA H 45 4.580 4.495 0.085 1 1 554 . 13 1 1 A 45 45 THR C C 45 174.800 173.834 0.966 1 1 555 . 13 1 1 A 45 45 THR CA C 45 61.700 62.315 -0.615 1 1 556 . 13 1 1 A 45 45 THR CB C 45 70.000 69.660 0.340 1 1 558 . 13 1 1 A 45 45 THR N N 45 112.000 109.298 2.702 1 1 559 . 13 1 1 A 46 46 GLY H H 46 7.640 7.977 -0.337 1 1 560 . 13 1 1 A 46 46 GLY HA2 H 46 3.830 4.126 -0.296 1 1 561 . 13 1 1 A 46 46 GLY HA3 H 46 4.000 4.128 -0.128 1 1 562 . 13 1 1 A 46 46 GLY C C 46 169.400 171.609 -2.209 1 1 563 . 13 1 1 A 46 46 GLY CA C 46 46.000 45.229 0.771 1 1 564 . 13 1 1 A 46 46 GLY N N 46 110.600 107.834 2.766 1 1 565 . 13 1 1 A 47 47 ILE H H 47 8.000 8.258 -0.258 1 1 566 . 13 1 1 A 47 47 ILE HA H 47 5.450 5.101 0.349 1 1 576 . 13 1 1 A 47 47 ILE C C 47 175.200 174.025 1.175 1 1 577 . 13 1 1 A 47 47 ILE CA C 47 59.100 59.523 -0.423 1 1 578 . 13 1 1 A 47 47 ILE CB C 47 42.400 42.557 -0.157 1 1 582 . 13 1 1 A 47 47 ILE N N 47 113.900 121.381 -7.481 1 1 583 . 13 1 1 A 48 48 ILE H H 48 9.340 8.523 0.817 1 1 584 . 13 1 1 A 48 48 ILE HA H 48 4.640 4.987 -0.347 1 1 594 . 13 1 1 A 48 48 ILE C C 48 171.500 173.930 -2.430 1 1 595 . 13 1 1 A 48 48 ILE CA C 48 60.600 59.111 1.489 1 1 596 . 13 1 1 A 48 48 ILE CB C 48 42.000 42.337 -0.337 1 1 600 . 13 1 1 A 48 48 ILE N N 48 123.600 124.289 -0.689 1 1 601 . 13 1 1 A 49 49 LYS H H 49 8.350 8.583 -0.233 1 1 602 . 13 1 1 A 49 49 LYS HA H 49 4.820 4.876 -0.056 1 1 611 . 13 1 1 A 49 49 LYS C C 49 174.700 176.212 -1.512 1 1 612 . 13 1 1 A 49 49 LYS CA C 49 56.400 55.373 1.027 1 1 613 . 13 1 1 A 49 49 LYS CB C 49 33.800 33.782 0.018 1 1 617 . 13 1 1 A 49 49 LYS N N 49 129.100 126.867 2.233 1 1 618 . 13 1 1 A 50 50 PHE H H 50 8.570 8.943 -0.373 1 1 619 . 13 1 1 A 50 50 PHE HA H 50 5.820 5.794 0.026 1 1 627 . 13 1 1 A 50 50 PHE C C 50 172.100 173.827 -1.727 1 1 628 . 13 1 1 A 50 50 PHE CA C 50 54.800 54.987 -0.187 1 1 629 . 13 1 1 A 50 50 PHE CB C 50 43.900 42.227 1.673 1 1 635 . 13 1 1 A 50 50 PHE N N 50 122.700 120.358 2.342 1 1 636 . 13 1 1 A 51 51 THR H H 51 8.190 8.301 -0.111 1 1 637 . 13 1 1 A 51 51 THR HA H 51 4.320 4.510 -0.190 1 1 642 . 13 1 1 A 51 51 THR C C 51 172.900 172.699 0.201 1 1 643 . 13 1 1 A 51 51 THR CA C 51 61.700 60.921 0.779 1 1 644 . 13 1 1 A 51 51 THR CB C 51 72.500 71.050 1.450 1 1 646 . 13 1 1 A 51 51 THR N N 51 114.400 114.097 0.303 1 1 647 . 13 1 1 A 52 52 ILE H H 52 8.880 8.358 0.522 1 1 648 . 13 1 1 A 52 52 ILE HA H 52 4.650 4.436 0.214 1 1 658 . 13 1 1 A 52 52 ILE C C 52 176.000 175.040 0.960 1 1 659 . 13 1 1 A 52 52 ILE CA C 52 60.500 60.148 0.352 1 1 660 . 13 1 1 A 52 52 ILE CB C 52 38.900 39.382 -0.482 1 1 664 . 13 1 1 A 52 52 ILE N N 52 123.400 126.418 -3.018 1 1 665 . 13 1 1 A 53 53 TRP H H 53 8.020 8.396 -0.376 1 1 666 . 13 1 1 A 53 53 TRP HA H 53 4.740 4.821 -0.081 1 1 675 . 13 1 1 A 53 53 TRP C C 53 177.500 177.478 0.022 1 1 676 . 13 1 1 A 53 53 TRP CA C 53 57.700 57.584 0.116 1 1 677 . 13 1 1 A 53 53 TRP CB C 53 30.400 30.309 0.091 1 1 683 . 13 1 1 A 53 53 TRP N N 53 129.500 128.543 0.957 1 1 685 . 13 1 1 A 54 54 LYS H H 54 8.980 8.614 0.366 1 1 686 . 13 1 1 A 54 54 LYS HA H 54 4.100 3.977 0.123 1 1 695 . 13 1 1 A 54 54 LYS C C 54 177.700 178.499 -0.799 1 1 696 . 13 1 1 A 54 54 LYS CA C 54 59.400 60.207 -0.807 1 1 697 . 13 1 1 A 54 54 LYS CB C 54 32.400 32.233 0.167 1 1 701 . 13 1 1 A 54 54 LYS N N 54 125.500 124.658 0.842 1 1 702 . 13 1 1 A 55 55 ASN H H 55 8.600 9.084 -0.484 1 1 703 . 13 1 1 A 55 55 ASN HA H 55 4.510 4.613 -0.103 1 1 708 . 13 1 1 A 55 55 ASN C C 55 175.300 176.662 -1.362 1 1 709 . 13 1 1 A 55 55 ASN CA C 55 53.700 54.685 -0.985 1 1 710 . 13 1 1 A 55 55 ASN CB C 55 37.100 37.015 0.085 1 1 711 . 13 1 1 A 55 55 ASN N N 55 115.400 114.182 1.218 1 1 713 . 13 1 1 A 56 56 ALA H H 56 7.630 7.985 -0.355 1 1 714 . 13 1 1 A 56 56 ALA HA H 56 3.970 4.359 -0.389 1 1 718 . 13 1 1 A 56 56 ALA C C 56 176.100 177.051 -0.951 1 1 719 . 13 1 1 A 56 56 ALA CA C 56 53.500 53.341 0.159 1 1 720 . 13 1 1 A 56 56 ALA CB C 56 18.400 19.741 -1.341 1 1 721 . 13 1 1 A 56 56 ALA N N 56 121.200 122.178 -0.978 1 1 722 . 13 1 1 A 57 57 GLU H H 57 7.880 8.033 -0.153 1 1 723 . 13 1 1 A 57 57 GLU HA H 57 3.940 3.873 0.067 1 1 728 . 13 1 1 A 57 57 GLU C C 57 175.400 175.120 0.280 1 1 729 . 13 1 1 A 57 57 GLU CA C 57 56.700 57.321 -0.621 1 1 730 . 13 1 1 A 57 57 GLU CB C 57 27.300 27.394 -0.094 1 1 732 . 13 1 1 A 57 57 GLU N N 57 112.500 114.636 -2.136 1 1 733 . 13 1 1 A 58 58 LEU H H 58 7.910 7.824 0.086 1 1 734 . 13 1 1 A 58 58 LEU HA H 58 4.740 4.706 0.034 1 1 744 . 13 1 1 A 58 58 LEU C C 58 175.400 174.444 0.956 1 1 745 . 13 1 1 A 58 58 LEU CA C 58 52.300 52.333 -0.033 1 1 746 . 13 1 1 A 58 58 LEU CB C 58 42.900 42.059 0.841 1 1 750 . 13 1 1 A 58 58 LEU N N 58 120.000 120.643 -0.643 1 1 751 . 13 1 1 A 59 59 PRO HA H 59 4.380 4.479 -0.099 1 1 758 . 13 1 1 A 59 59 PRO CA C 59 62.200 62.999 -0.799 1 1 759 . 13 1 1 A 59 59 PRO CB C 59 32.000 31.860 0.140 1 1 762 . 13 1 1 A 60 60 LEU H H 60 7.860 8.209 -0.349 1 1 763 . 13 1 1 A 60 60 LEU HA H 60 3.920 4.417 -0.497 1 1 773 . 13 1 1 A 60 60 LEU C C 60 178.300 177.227 1.073 1 1 774 . 13 1 1 A 60 60 LEU CA C 60 55.000 54.758 0.242 1 1 775 . 13 1 1 A 60 60 LEU CB C 60 41.800 42.610 -0.810 1 1 779 . 13 1 1 A 60 60 LEU N N 60 117.500 123.891 -6.391 1 1 780 . 13 1 1 A 61 61 LEU H H 61 9.680 8.404 1.276 1 1 781 . 13 1 1 A 61 61 LEU HA H 61 4.040 3.997 0.043 1 1 791 . 13 1 1 A 61 61 LEU C C 61 177.300 176.732 0.568 1 1 792 . 13 1 1 A 61 61 LEU CA C 61 54.100 54.141 -0.041 1 1 793 . 13 1 1 A 61 61 LEU CB C 61 41.300 42.352 -1.052 1 1 797 . 13 1 1 A 61 61 LEU N N 61 122.300 124.698 -2.398 1 1 798 . 13 1 1 A 62 62 GLU H H 62 8.390 8.878 -0.488 1 1 799 . 13 1 1 A 62 62 GLU HA H 62 4.430 4.680 -0.250 1 1 804 . 13 1 1 A 62 62 GLU C C 62 175.600 176.093 -0.493 1 1 805 . 13 1 1 A 62 62 GLU CA C 62 54.800 54.958 -0.158 1 1 806 . 13 1 1 A 62 62 GLU CB C 62 32.200 31.420 0.780 1 1 808 . 13 1 1 A 62 62 GLU N N 62 120.500 122.606 -2.106 1 1 809 . 13 1 1 A 63 63 GLN H H 63 8.780 8.764 0.016 1 1 810 . 13 1 1 A 63 63 GLN HA H 63 3.700 4.004 -0.304 1 1 817 . 13 1 1 A 63 63 GLN C C 63 176.600 176.855 -0.255 1 1 818 . 13 1 1 A 63 63 GLN CA C 63 58.100 57.756 0.344 1 1 819 . 13 1 1 A 63 63 GLN CB C 63 28.300 28.357 -0.057 1 1 821 . 13 1 1 A 63 63 GLN N N 63 123.300 123.728 -0.428 1 1 823 . 13 1 1 A 64 64 GLY H H 64 9.140 8.990 0.150 1 1 824 . 13 1 1 A 64 64 GLY HA2 H 64 3.580 3.989 -0.409 1 1 825 . 13 1 1 A 64 64 GLY HA3 H 64 4.390 3.990 0.400 1 1 826 . 13 1 1 A 64 64 GLY C C 64 173.900 174.020 -0.120 1 1 827 . 13 1 1 A 64 64 GLY CA C 64 45.300 45.114 0.186 1 1 828 . 13 1 1 A 64 64 GLY N N 64 115.100 114.889 0.211 1 1 829 . 13 1 1 A 65 65 GLU H H 65 7.590 7.692 -0.102 1 1 830 . 13 1 1 A 65 65 GLU HA H 65 4.490 4.596 -0.106 1 1 835 . 13 1 1 A 65 65 GLU C C 65 174.200 176.079 -1.879 1 1 836 . 13 1 1 A 65 65 GLU CA C 65 54.900 54.774 0.126 1 1 837 . 13 1 1 A 65 65 GLU CB C 65 30.500 31.188 -0.688 1 1 839 . 13 1 1 A 65 65 GLU N N 65 120.300 120.506 -0.206 1 1 840 . 13 1 1 A 66 66 SER H H 66 8.700 8.421 0.279 1 1 841 . 13 1 1 A 66 66 SER HA H 66 5.330 4.842 0.488 1 1 844 . 13 1 1 A 66 66 SER C C 66 174.100 172.929 1.171 1 1 845 . 13 1 1 A 66 66 SER CA C 66 58.300 57.967 0.333 1 1 846 . 13 1 1 A 66 66 SER CB C 66 65.500 64.477 1.023 1 1 847 . 13 1 1 A 66 66 SER N N 66 116.500 118.758 -2.258 1 1 848 . 13 1 1 A 67 67 TYR H H 67 9.090 9.082 0.008 1 1 849 . 13 1 1 A 67 67 TYR HA H 67 5.110 4.985 0.125 1 1 856 . 13 1 1 A 67 67 TYR C C 67 173.900 174.352 -0.452 1 1 857 . 13 1 1 A 67 67 TYR CA C 67 57.500 56.259 1.241 1 1 858 . 13 1 1 A 67 67 TYR CB C 67 43.900 43.025 0.875 1 1 863 . 13 1 1 A 67 67 TYR N N 67 119.000 121.642 -2.642 1 1 864 . 13 1 1 A 68 68 LEU H H 68 9.230 8.956 0.274 1 1 865 . 13 1 1 A 68 68 LEU HA H 68 5.000 5.138 -0.138 1 1 875 . 13 1 1 A 68 68 LEU C C 68 175.300 174.497 0.803 1 1 876 . 13 1 1 A 68 68 LEU CA C 68 54.300 53.791 0.509 1 1 877 . 13 1 1 A 68 68 LEU CB C 68 43.800 45.103 -1.303 1 1 881 . 13 1 1 A 68 68 LEU N N 68 121.800 124.631 -2.831 1 1 882 . 13 1 1 A 69 69 LEU H H 69 9.460 8.779 0.681 1 1 883 . 13 1 1 A 69 69 LEU HA H 69 5.010 5.115 -0.105 1 1 893 . 13 1 1 A 69 69 LEU C C 69 175.000 175.639 -0.639 1 1 894 . 13 1 1 A 69 69 LEU CA C 69 54.100 53.576 0.524 1 1 895 . 13 1 1 A 69 69 LEU CB C 69 42.300 43.392 -1.092 1 1 899 . 13 1 1 A 69 69 LEU N N 69 128.500 128.214 0.286 1 1 900 . 13 1 1 A 70 70 ARG H H 70 8.910 8.508 0.402 1 1 901 . 13 1 1 A 70 70 ARG HA H 70 4.850 5.091 -0.241 1 1 909 . 13 1 1 A 70 70 ARG C C 70 176.400 175.708 0.692 1 1 910 . 13 1 1 A 70 70 ARG CA C 70 54.900 54.608 0.292 1 1 911 . 13 1 1 A 70 70 ARG CB C 70 32.300 33.062 -0.762 1 1 914 . 13 1 1 A 70 70 ARG N N 70 121.500 124.007 -2.507 1 1 916 . 13 1 1 A 71 71 SER H H 71 8.800 8.994 -0.194 1 1 917 . 13 1 1 A 71 71 SER HA H 71 3.870 4.114 -0.244 1 1 920 . 13 1 1 A 71 71 SER C C 71 175.800 173.306 2.494 1 1 921 . 13 1 1 A 71 71 SER CA C 71 58.600 59.096 -0.496 1 1 922 . 13 1 1 A 71 71 SER CB C 71 62.000 61.465 0.535 1 1 923 . 13 1 1 A 71 71 SER N N 71 114.400 114.030 0.370 1 1 924 . 13 1 1 A 72 72 VAL H H 72 8.750 7.554 1.196 1 1 925 . 13 1 1 A 72 72 VAL HA H 72 4.610 5.014 -0.404 1 1 933 . 13 1 1 A 72 72 VAL C C 72 173.300 174.163 -0.863 1 1 934 . 13 1 1 A 72 72 VAL CA C 72 59.300 59.695 -0.395 1 1 935 . 13 1 1 A 72 72 VAL CB C 72 31.900 34.506 -2.606 1 1 938 . 13 1 1 A 72 72 VAL N N 72 115.500 115.600 -0.100 1 1 939 . 13 1 1 A 73 73 VAL H H 73 7.940 8.367 -0.427 1 1 940 . 13 1 1 A 73 73 VAL HA H 73 4.760 4.623 0.137 1 1 948 . 13 1 1 A 73 73 VAL C C 73 174.300 173.555 0.745 1 1 949 . 13 1 1 A 73 73 VAL CA C 73 58.800 59.306 -0.506 1 1 950 . 13 1 1 A 73 73 VAL CB C 73 34.500 34.893 -0.393 1 1 953 . 13 1 1 A 73 73 VAL N N 73 118.200 121.527 -3.327 1 1 954 . 13 1 1 A 74 74 VAL H H 74 8.430 8.109 0.321 1 1 955 . 13 1 1 A 74 74 VAL HA H 74 4.560 4.643 -0.083 1 1 963 . 13 1 1 A 74 74 VAL C C 74 177.300 175.707 1.593 1 1 964 . 13 1 1 A 74 74 VAL CA C 74 62.100 60.880 1.220 1 1 965 . 13 1 1 A 74 74 VAL CB C 74 32.700 33.127 -0.427 1 1 968 . 13 1 1 A 74 74 VAL N N 74 127.800 127.090 0.710 1 1 969 . 13 1 1 A 75 75 GLY H H 75 9.040 9.057 -0.017 1 1 970 . 13 1 1 A 75 75 GLY HA2 H 75 3.750 4.287 -0.537 1 1 971 . 13 1 1 A 75 75 GLY HA3 H 75 5.120 4.323 0.797 1 1 972 . 13 1 1 A 75 75 GLY C C 75 172.500 171.885 0.615 1 1 973 . 13 1 1 A 75 75 GLY CA C 75 43.700 43.984 -0.284 1 1 974 . 13 1 1 A 75 75 GLY N N 75 116.000 115.613 0.387 1 1 975 . 13 1 1 A 76 76 GLU H H 76 8.380 8.593 -0.213 1 1 976 . 13 1 1 A 76 76 GLU HA H 76 4.690 4.570 0.120 1 1 981 . 13 1 1 A 76 76 GLU C C 76 176.000 174.618 1.382 1 1 982 . 13 1 1 A 76 76 GLU CA C 76 56.100 55.498 0.602 1 1 983 . 13 1 1 A 76 76 GLU CB C 76 32.000 30.364 1.636 1 1 985 . 13 1 1 A 76 76 GLU N N 76 120.200 122.550 -2.350 1 1 986 . 13 1 1 A 77 77 TYR H H 77 8.430 8.545 -0.115 1 1 987 . 13 1 1 A 77 77 TYR HA H 77 4.570 4.912 -0.342 1 1 994 . 13 1 1 A 77 77 TYR C C 77 174.200 175.134 -0.934 1 1 995 . 13 1 1 A 77 77 TYR CA C 77 56.500 57.364 -0.864 1 1 996 . 13 1 1 A 77 77 TYR CB C 77 39.800 40.498 -0.698 1 1 1001 . 13 1 1 A 77 77 TYR N N 77 124.400 129.503 -5.103 1 1 1002 . 13 1 1 A 78 78 ASN H H 78 9.100 8.795 0.305 1 1 1003 . 13 1 1 A 78 78 ASN HA H 78 4.000 4.110 -0.110 1 1 1008 . 13 1 1 A 78 78 ASN C C 78 177.300 175.515 1.785 1 1 1009 . 13 1 1 A 78 78 ASN CA C 78 54.700 55.000 -0.300 1 1 1010 . 13 1 1 A 78 78 ASN CB C 78 36.600 36.927 -0.327 1 1 1011 . 13 1 1 A 78 78 ASN N N 78 125.800 123.868 1.932 1 1 1013 . 13 1 1 A 79 79 ASP H H 79 8.640 8.213 0.427 1 1 1014 . 13 1 1 A 79 79 ASP HA H 79 4.240 4.518 -0.278 1 1 1017 . 13 1 1 A 79 79 ASP C C 79 174.600 175.900 -1.300 1 1 1018 . 13 1 1 A 79 79 ASP CA C 79 54.900 54.704 0.196 1 1 1019 . 13 1 1 A 79 79 ASP CB C 79 39.700 41.588 -1.888 1 1 1020 . 13 1 1 A 79 79 ASP N N 79 115.700 123.949 -8.249 1 1 1021 . 13 1 1 A 80 80 ARG H H 80 7.880 7.462 0.418 1 1 1022 . 13 1 1 A 80 80 ARG HA H 80 4.370 4.713 -0.343 1 1 1030 . 13 1 1 A 80 80 ARG C C 80 175.000 175.230 -0.230 1 1 1031 . 13 1 1 A 80 80 ARG CA C 80 54.200 54.535 -0.335 1 1 1032 . 13 1 1 A 80 80 ARG CB C 80 31.800 31.818 -0.018 1 1 1035 . 13 1 1 A 80 80 ARG N N 80 119.700 117.683 2.017 1 1 1037 . 13 1 1 A 81 81 PHE H H 81 8.410 9.015 -0.605 1 1 1038 . 13 1 1 A 81 81 PHE HA H 81 5.420 5.277 0.143 1 1 1046 . 13 1 1 A 81 81 PHE C C 81 174.400 175.092 -0.692 1 1 1047 . 13 1 1 A 81 81 PHE CA C 81 57.200 56.830 0.370 1 1 1048 . 13 1 1 A 81 81 PHE CB C 81 42.000 42.033 -0.033 1 1 1054 . 13 1 1 A 81 81 PHE N N 81 120.700 119.407 1.293 1 1 1055 . 13 1 1 A 82 82 GLN H H 82 8.950 8.578 0.372 1 1 1056 . 13 1 1 A 82 82 GLN HA H 82 5.110 4.987 0.123 1 1 1063 . 13 1 1 A 82 82 GLN C C 82 172.400 174.350 -1.950 1 1 1064 . 13 1 1 A 82 82 GLN CA C 82 53.500 54.255 -0.755 1 1 1065 . 13 1 1 A 82 82 GLN CB C 82 31.900 33.126 -1.226 1 1 1067 . 13 1 1 A 82 82 GLN N N 82 115.000 119.592 -4.592 1 1 1069 . 13 1 1 A 83 83 VAL H H 83 9.090 8.409 0.681 1 1 1070 . 13 1 1 A 83 83 VAL HA H 83 4.380 4.777 -0.397 1 1 1078 . 13 1 1 A 83 83 VAL C C 83 174.600 175.039 -0.439 1 1 1079 . 13 1 1 A 83 83 VAL CA C 83 61.600 61.661 -0.061 1 1 1080 . 13 1 1 A 83 83 VAL CB C 83 33.500 32.870 0.630 1 1 1083 . 13 1 1 A 83 83 VAL N N 83 118.900 121.395 -2.495 1 1 1084 . 13 1 1 A 84 84 GLN H H 84 9.280 8.741 0.539 1 1 1085 . 13 1 1 A 84 84 GLN HA H 84 5.020 4.799 0.221 1 1 1092 . 13 1 1 A 84 84 GLN C C 84 174.500 174.791 -0.291 1 1 1093 . 13 1 1 A 84 84 GLN CA C 84 54.400 55.280 -0.880 1 1 1094 . 13 1 1 A 84 84 GLN CB C 84 29.900 30.465 -0.565 1 1 1096 . 13 1 1 A 84 84 GLN N N 84 124.800 127.352 -2.552 1 1 1098 . 13 1 1 A 85 85 VAL H H 85 8.680 8.560 0.120 1 1 1099 . 13 1 1 A 85 85 VAL HA H 85 4.300 4.908 -0.608 1 1 1107 . 13 1 1 A 85 85 VAL C C 85 174.500 174.853 -0.353 1 1 1108 . 13 1 1 A 85 85 VAL CA C 85 61.700 61.330 0.370 1 1 1109 . 13 1 1 A 85 85 VAL CB C 85 31.700 33.179 -1.479 1 1 1112 . 13 1 1 A 85 85 VAL N N 85 125.500 125.397 0.103 1 1 1113 . 13 1 1 A 86 86 ASN H H 86 8.740 8.543 0.197 1 1 1114 . 13 1 1 A 86 86 ASN HA H 86 5.240 5.350 -0.110 1 1 1119 . 13 1 1 A 86 86 ASN C C 86 175.300 175.955 -0.655 1 1 1120 . 13 1 1 A 86 86 ASN CA C 86 51.800 51.348 0.452 1 1 1121 . 13 1 1 A 86 86 ASN CB C 86 42.400 40.157 2.243 1 1 1122 . 13 1 1 A 86 86 ASN N N 86 124.000 125.343 -1.343 1 1 1124 . 13 1 1 A 87 87 LYS H H 87 8.530 8.793 -0.263 1 1 1125 . 13 1 1 A 87 87 LYS HA H 87 4.210 4.021 0.189 1 1 1134 . 13 1 1 A 87 87 LYS C C 87 176.700 177.911 -1.211 1 1 1135 . 13 1 1 A 87 87 LYS CA C 87 59.000 60.114 -1.114 1 1 1136 . 13 1 1 A 87 87 LYS CB C 87 32.400 32.147 0.253 1 1 1140 . 13 1 1 A 87 87 LYS N N 87 117.600 119.359 -1.759 1 1 1141 . 13 1 1 A 88 88 ASN H H 88 8.600 8.260 0.340 1 1 1142 . 13 1 1 A 88 88 ASN HA H 88 4.810 4.600 0.210 1 1 1147 . 13 1 1 A 88 88 ASN C C 88 175.600 175.122 0.478 1 1 1148 . 13 1 1 A 88 88 ASN CA C 88 54.100 55.234 -1.134 1 1 1149 . 13 1 1 A 88 88 ASN CB C 88 39.100 38.447 0.653 1 1 1150 . 13 1 1 A 88 88 ASN N N 88 115.500 118.516 -3.016 1 1 1152 . 13 1 1 A 89 89 SER H H 89 8.150 7.592 0.558 1 1 1153 . 13 1 1 A 89 89 SER HA H 89 5.120 4.717 0.403 1 1 1156 . 13 1 1 A 89 89 SER C C 89 172.400 173.900 -1.500 1 1 1157 . 13 1 1 A 89 89 SER CA C 89 58.100 57.987 0.113 1 1 1158 . 13 1 1 A 89 89 SER CB C 89 64.000 65.427 -1.427 1 1 1159 . 13 1 1 A 89 89 SER N N 89 117.500 112.876 4.624 1 1 1160 . 13 1 1 A 90 90 SER H H 90 8.200 8.566 -0.366 1 1 1161 . 13 1 1 A 90 90 SER HA H 90 4.680 5.265 -0.585 1 1 1164 . 13 1 1 A 90 90 SER C C 90 172.400 173.410 -1.010 1 1 1165 . 13 1 1 A 90 90 SER CA C 90 57.700 56.701 0.999 1 1 1166 . 13 1 1 A 90 90 SER CB C 90 65.700 66.603 -0.903 1 1 1167 . 13 1 1 A 90 90 SER N N 90 113.200 114.793 -1.593 1 1 1168 . 13 1 1 A 91 91 ILE H H 91 8.640 8.875 -0.235 1 1 1169 . 13 1 1 A 91 91 ILE HA H 91 5.030 5.095 -0.065 1 1 1179 . 13 1 1 A 91 91 ILE C C 91 175.300 174.324 0.976 1 1 1180 . 13 1 1 A 91 91 ILE CA C 91 60.200 60.412 -0.212 1 1 1181 . 13 1 1 A 91 91 ILE CB C 91 42.200 41.718 0.482 1 1 1185 . 13 1 1 A 91 91 ILE N N 91 119.700 122.016 -2.316 1 1 1186 . 13 1 1 A 92 92 GLU H H 92 8.810 9.149 -0.339 1 1 1187 . 13 1 1 A 92 92 GLU HA H 92 4.710 5.246 -0.536 1 1 1192 . 13 1 1 A 92 92 GLU C C 92 174.700 175.433 -0.733 1 1 1193 . 13 1 1 A 92 92 GLU CA C 92 54.600 54.658 -0.058 1 1 1194 . 13 1 1 A 92 92 GLU CB C 92 33.300 33.140 0.160 1 1 1196 . 13 1 1 A 92 92 GLU N N 92 125.900 128.366 -2.466 1 1 1197 . 13 1 1 A 93 93 LYS H H 93 9.080 8.539 0.541 1 1 1198 . 13 1 1 A 93 93 LYS HA H 93 4.100 4.461 -0.361 1 1 1207 . 13 1 1 A 93 93 LYS C C 93 176.400 176.257 0.143 1 1 1208 . 13 1 1 A 93 93 LYS CA C 93 57.500 56.752 0.748 1 1 1209 . 13 1 1 A 93 93 LYS CB C 93 32.900 33.257 -0.357 1 1 1213 . 13 1 1 A 93 93 LYS N N 93 127.600 128.467 -0.867 1 1 1214 . 13 1 1 A 94 94 LEU H H 94 8.410 8.407 0.003 1 1 1215 . 13 1 1 A 94 94 LEU HA H 94 4.480 4.726 -0.246 1 1 1224 . 13 1 1 A 94 94 LEU C C 94 177.300 177.884 -0.584 1 1 1225 . 13 1 1 A 94 94 LEU CA C 94 53.900 53.601 0.299 1 1 1226 . 13 1 1 A 94 94 LEU CB C 94 42.900 42.879 0.021 1 1 1230 . 13 1 1 A 94 94 LEU N N 94 127.300 127.316 -0.016 1 1 1231 . 13 1 1 A 95 95 SER H H 95 8.630 8.849 -0.219 1 1 1232 . 13 1 1 A 95 95 SER HA H 95 4.350 4.395 -0.045 1 1 1235 . 13 1 1 A 95 95 SER C C 95 173.800 173.817 -0.017 1 1 1236 . 13 1 1 A 95 95 SER CA C 95 58.900 59.149 -0.249 1 1 1237 . 13 1 1 A 95 95 SER CB C 95 63.400 63.556 -0.156 1 1 1238 . 13 1 1 A 95 95 SER N N 95 115.700 117.574 -1.874 1 1 1239 . 13 1 1 A 96 96 GLU H H 96 7.230 7.649 -0.419 1 1 1240 . 13 1 1 A 96 96 GLU HA H 96 4.750 4.768 -0.018 1 1 1245 . 13 1 1 A 96 96 GLU CA C 96 53.000 53.123 -0.123 1 1 1246 . 13 1 1 A 96 96 GLU CB C 96 30.700 31.973 -1.273 1 1 1248 . 13 1 1 A 96 96 GLU N N 96 121.600 122.698 -1.098 1 1 1249 . 13 1 1 A 97 97 PRO HA H 97 4.250 4.745 -0.495 1 1 1256 . 13 1 1 A 97 97 PRO CA C 97 62.400 62.299 0.101 1 1 1257 . 13 1 1 A 97 97 PRO CB C 97 32.600 32.564 0.036 1 1 1260 . 13 1 1 A 98 98 ILE H H 98 7.920 7.971 -0.051 1 1 1261 . 13 1 1 A 98 98 ILE HA H 98 4.070 4.745 -0.675 1 1 1271 . 13 1 1 A 98 98 ILE C C 98 175.400 175.193 0.207 1 1 1272 . 13 1 1 A 98 98 ILE CA C 98 59.300 59.670 -0.370 1 1 1273 . 13 1 1 A 98 98 ILE CB C 98 38.300 39.970 -1.670 1 1 1277 . 13 1 1 A 98 98 ILE N N 98 122.700 121.729 0.971 1 1 1278 . 13 1 1 A 99 99 GLU H H 99 8.550 8.927 -0.377 1 1 1279 . 13 1 1 A 99 99 GLU HA H 99 4.260 4.692 -0.432 1 1 1284 . 13 1 1 A 99 99 GLU C C 99 175.100 176.331 -1.231 1 1 1285 . 13 1 1 A 99 99 GLU CA C 99 55.500 55.414 0.086 1 1 1286 . 13 1 1 A 99 99 GLU CB C 99 30.000 30.723 -0.723 1 1 1288 . 13 1 1 A 99 99 GLU N N 99 127.900 126.960 0.940 1 1 1289 . 13 1 1 A 100 100 VAL H H 100 7.970 8.967 -0.997 1 1 1290 . 13 1 1 A 100 100 VAL HA H 100 3.980 4.316 -0.336 1 1 1298 . 13 1 1 A 100 100 VAL C C 100 176.700 175.206 1.494 1 1 1299 . 13 1 1 A 100 100 VAL CA C 100 61.000 62.416 -1.416 1 1 1300 . 13 1 1 A 100 100 VAL CB C 100 33.000 32.010 0.990 1 1 1303 . 13 1 1 A 100 100 VAL N N 100 121.100 125.100 -4.000 1 1 1304 . 13 1 1 A 101 101 GLY H H 101 8.520 7.174 1.346 1 1 1305 . 13 1 1 A 101 101 GLY HA2 H 101 3.830 4.048 -0.218 1 1 1306 . 13 1 1 A 101 101 GLY HA3 H 101 3.980 4.057 -0.077 1 1 1307 . 13 1 1 A 101 101 GLY C C 101 174.200 174.035 0.165 1 1 1308 . 13 1 1 A 101 101 GLY CA C 101 45.800 45.555 0.245 1 1 1309 . 13 1 1 A 101 101 GLY N N 101 114.000 109.246 4.754 1 1 1310 . 13 1 1 A 102 102 LEU H H 102 8.100 8.820 -0.720 1 1 1311 . 13 1 1 A 102 102 LEU HA H 102 4.170 4.366 -0.196 1 1 1320 . 13 1 1 A 102 102 LEU C C 102 177.700 176.662 1.038 1 1 1321 . 13 1 1 A 102 102 LEU CA C 102 55.500 54.772 0.728 1 1 1322 . 13 1 1 A 102 102 LEU CB C 102 42.600 42.086 0.514 1 1 1326 . 13 1 1 A 102 102 LEU N N 102 121.000 121.031 -0.031 1 1 1327 . 13 1 1 A 103 103 GLU H H 103 8.420 8.110 0.310 1 1 1328 . 13 1 1 A 103 103 GLU HA H 103 4.090 4.181 -0.091 1 1 1333 . 13 1 1 A 103 103 GLU C C 103 176.400 175.749 0.651 1 1 1334 . 13 1 1 A 103 103 GLU CA C 103 57.100 58.496 -1.396 1 1 1335 . 13 1 1 A 103 103 GLU CB C 103 29.900 28.299 1.601 1 1 1337 . 13 1 1 A 103 103 GLU N N 103 120.000 117.867 2.133 1 1 1338 . 13 1 1 A 104 104 HIS H H 104 8.180 8.562 -0.382 1 1 1339 . 13 1 1 A 104 104 HIS HA H 104 4.580 4.939 -0.359 1 1 1342 . 13 1 1 A 104 104 HIS C C 104 173.800 174.244 -0.444 1 1 1343 . 13 1 1 A 104 104 HIS CA C 104 55.700 54.803 0.897 1 1 1344 . 13 1 1 A 104 104 HIS CB C 104 30.000 31.099 -1.099 1 1 1345 . 13 1 1 A 104 104 HIS N N 104 119.000 121.490 -2.490 1 1 1346 . 13 1 1 A 105 105 HIS H H 105 8.160 8.717 -0.557 1 1 1347 . 13 1 1 A 105 105 HIS HA H 105 4.380 4.618 -0.238 1 1 1350 . 13 1 1 A 105 105 HIS CA C 105 57.200 54.658 2.542 1 1 1351 . 13 1 1 A 105 105 HIS CB C 105 30.000 30.887 -0.887 1 1 1 . 14 1 1 A 3 3 PRO HA H 3 4.430 4.495 -0.065 1 1 8 . 14 1 1 A 3 3 PRO C C 3 175.600 176.844 -1.244 1 1 9 . 14 1 1 A 3 3 PRO CA C 3 62.510 62.836 -0.326 1 1 10 . 14 1 1 A 3 3 PRO CB C 3 32.000 31.779 0.221 1 1 13 . 14 1 1 A 4 4 GLN H H 4 8.580 8.390 0.190 1 1 14 . 14 1 1 A 4 4 GLN HA H 4 4.260 4.381 -0.121 1 1 21 . 14 1 1 A 4 4 GLN C C 4 176.900 175.627 1.273 1 1 22 . 14 1 1 A 4 4 GLN CA C 4 55.700 55.750 -0.050 1 1 23 . 14 1 1 A 4 4 GLN CB C 4 29.200 28.948 0.252 1 1 25 . 14 1 1 A 4 4 GLN N N 4 120.000 119.263 0.737 1 1 27 . 14 1 1 A 5 5 LEU H H 5 8.920 8.944 -0.024 1 1 28 . 14 1 1 A 5 5 LEU HA H 5 4.660 4.776 -0.116 1 1 38 . 14 1 1 A 5 5 LEU C C 5 176.900 176.224 0.676 1 1 39 . 14 1 1 A 5 5 LEU CA C 5 54.700 54.284 0.416 1 1 40 . 14 1 1 A 5 5 LEU CB C 5 43.000 42.971 0.029 1 1 44 . 14 1 1 A 5 5 LEU N N 5 128.500 126.335 2.165 1 1 45 . 14 1 1 A 6 6 THR H H 6 8.750 8.869 -0.119 1 1 46 . 14 1 1 A 6 6 THR HA H 6 4.530 5.036 -0.506 1 1 51 . 14 1 1 A 6 6 THR C C 6 173.700 173.854 -0.154 1 1 52 . 14 1 1 A 6 6 THR CA C 6 61.600 61.575 0.025 1 1 53 . 14 1 1 A 6 6 THR CB C 6 72.000 71.167 0.833 1 1 55 . 14 1 1 A 6 6 THR N N 6 121.000 121.417 -0.417 1 1 56 . 14 1 1 A 7 7 LYS H H 7 9.080 8.989 0.091 1 1 57 . 14 1 1 A 7 7 LYS HA H 7 4.430 4.537 -0.107 1 1 66 . 14 1 1 A 7 7 LYS C C 7 178.600 178.245 0.355 1 1 67 . 14 1 1 A 7 7 LYS CA C 7 54.300 54.504 -0.204 1 1 68 . 14 1 1 A 7 7 LYS CB C 7 32.300 34.067 -1.767 1 1 72 . 14 1 1 A 7 7 LYS N N 7 126.300 124.393 1.907 1 1 73 . 14 1 1 A 8 8 ILE H H 8 9.870 8.888 0.982 1 1 74 . 14 1 1 A 8 8 ILE HA H 8 3.240 3.842 -0.602 1 1 82 . 14 1 1 A 8 8 ILE C C 8 178.700 177.940 0.760 1 1 83 . 14 1 1 A 8 8 ILE CA C 8 66.800 65.436 1.364 1 1 84 . 14 1 1 A 8 8 ILE CB C 8 36.400 37.508 -1.108 1 1 87 . 14 1 1 A 8 8 ILE N N 8 124.700 122.540 2.160 1 1 88 . 14 1 1 A 9 9 VAL H H 9 8.340 8.020 0.320 1 1 89 . 14 1 1 A 9 9 VAL HA H 9 3.930 3.953 -0.023 1 1 97 . 14 1 1 A 9 9 VAL C C 9 178.700 176.854 1.846 1 1 98 . 14 1 1 A 9 9 VAL CA C 9 63.300 64.362 -1.062 1 1 99 . 14 1 1 A 9 9 VAL CB C 9 31.700 31.609 0.091 1 1 102 . 14 1 1 A 9 9 VAL N N 9 119.500 120.523 -1.023 1 1 103 . 14 1 1 A 10 10 ASP H H 10 7.510 8.071 -0.561 1 1 104 . 14 1 1 A 10 10 ASP HA H 10 4.730 4.684 0.046 1 1 107 . 14 1 1 A 10 10 ASP C C 10 174.500 178.123 -3.623 1 1 108 . 14 1 1 A 10 10 ASP CA C 10 54.400 53.566 0.834 1 1 109 . 14 1 1 A 10 10 ASP CB C 10 41.100 40.612 0.488 1 1 110 . 14 1 1 A 10 10 ASP N N 10 119.100 120.874 -1.774 1 1 111 . 14 1 1 A 11 11 ILE H H 11 7.460 7.588 -0.128 1 1 112 . 14 1 1 A 11 11 ILE HA H 11 3.800 3.591 0.209 1 1 122 . 14 1 1 A 11 11 ILE C C 11 174.900 176.366 -1.466 1 1 123 . 14 1 1 A 11 11 ILE CA C 11 62.100 65.053 -2.953 1 1 124 . 14 1 1 A 11 11 ILE CB C 11 35.300 37.718 -2.418 1 1 128 . 14 1 1 A 11 11 ILE N N 11 124.200 120.416 3.784 1 1 129 . 14 1 1 A 12 12 VAL H H 12 8.530 7.855 0.675 1 1 130 . 14 1 1 A 12 12 VAL HA H 12 4.260 3.661 0.599 1 1 138 . 14 1 1 A 12 12 VAL C C 12 174.900 173.973 0.927 1 1 139 . 14 1 1 A 12 12 VAL CA C 12 60.600 65.195 -4.595 1 1 140 . 14 1 1 A 12 12 VAL CB C 12 35.400 29.399 6.001 1 1 143 . 14 1 1 A 12 12 VAL N N 12 118.400 117.977 0.423 1 1 144 . 14 1 1 A 13 13 GLU H H 13 7.430 8.621 -1.191 1 1 145 . 14 1 1 A 13 13 GLU HA H 13 4.590 4.462 0.128 1 1 150 . 14 1 1 A 13 13 GLU C C 13 173.800 173.942 -0.142 1 1 151 . 14 1 1 A 13 13 GLU CA C 13 54.800 55.169 -0.369 1 1 152 . 14 1 1 A 13 13 GLU CB C 13 33.160 33.164 -0.004 1 1 154 . 14 1 1 A 13 13 GLU N N 13 120.100 119.562 0.538 1 1 155 . 14 1 1 A 14 14 ASN H H 14 8.800 8.450 0.350 1 1 156 . 14 1 1 A 14 14 ASN HA H 14 4.110 4.898 -0.788 1 1 161 . 14 1 1 A 14 14 ASN C C 14 176.600 175.128 1.472 1 1 162 . 14 1 1 A 14 14 ASN CA C 14 54.600 51.105 3.495 1 1 163 . 14 1 1 A 14 14 ASN CB C 14 38.900 39.911 -1.011 1 1 164 . 14 1 1 A 14 14 ASN N N 14 121.500 122.095 -0.595 1 1 166 . 14 1 1 A 15 15 GLY H H 15 8.620 8.899 -0.279 1 1 167 . 14 1 1 A 15 15 GLY HA2 H 15 3.460 3.687 -0.227 1 1 168 . 14 1 1 A 15 15 GLY HA3 H 15 4.110 3.767 0.343 1 1 169 . 14 1 1 A 15 15 GLY C C 15 173.100 174.174 -1.074 1 1 170 . 14 1 1 A 15 15 GLY CA C 15 45.300 45.831 -0.531 1 1 171 . 14 1 1 A 15 15 GLY N N 15 114.900 110.011 4.889 1 1 172 . 14 1 1 A 16 16 GLN H H 16 7.280 7.763 -0.483 1 1 173 . 14 1 1 A 16 16 GLN HA H 16 4.160 4.585 -0.425 1 1 180 . 14 1 1 A 16 16 GLN C C 16 174.400 175.310 -0.910 1 1 181 . 14 1 1 A 16 16 GLN CA C 16 56.300 54.115 2.185 1 1 182 . 14 1 1 A 16 16 GLN CB C 16 30.300 30.225 0.075 1 1 184 . 14 1 1 A 16 16 GLN N N 16 121.500 118.499 3.001 1 1 186 . 14 1 1 A 17 17 TRP H H 17 8.640 8.985 -0.345 1 1 187 . 14 1 1 A 17 17 TRP HA H 17 5.400 5.320 0.080 1 1 196 . 14 1 1 A 17 17 TRP C C 17 176.900 176.309 0.591 1 1 197 . 14 1 1 A 17 17 TRP CA C 17 56.400 56.587 -0.187 1 1 198 . 14 1 1 A 17 17 TRP CB C 17 30.300 30.603 -0.303 1 1 204 . 14 1 1 A 17 17 TRP N N 17 125.500 122.997 2.503 1 1 206 . 14 1 1 A 18 18 ALA H H 18 9.020 8.798 0.222 1 1 207 . 14 1 1 A 18 18 ALA HA H 18 4.650 4.819 -0.169 1 1 211 . 14 1 1 A 18 18 ALA C C 18 174.100 175.122 -1.022 1 1 212 . 14 1 1 A 18 18 ALA CA C 18 51.430 51.309 0.121 1 1 213 . 14 1 1 A 18 18 ALA CB C 18 22.600 22.967 -0.367 1 1 214 . 14 1 1 A 18 18 ALA N N 18 124.000 123.664 0.336 1 1 215 . 14 1 1 A 19 19 ASN H H 19 8.250 8.283 -0.033 1 1 216 . 14 1 1 A 19 19 ASN HA H 19 5.710 5.662 0.048 1 1 221 . 14 1 1 A 19 19 ASN C C 19 173.500 174.186 -0.686 1 1 222 . 14 1 1 A 19 19 ASN CA C 19 51.600 52.144 -0.544 1 1 223 . 14 1 1 A 19 19 ASN CB C 19 40.100 42.098 -1.998 1 1 224 . 14 1 1 A 19 19 ASN N N 19 116.500 115.936 0.564 1 1 226 . 14 1 1 A 20 20 LEU H H 20 9.280 8.655 0.625 1 1 227 . 14 1 1 A 20 20 LEU HA H 20 4.930 5.072 -0.142 1 1 236 . 14 1 1 A 20 20 LEU C C 20 174.800 174.107 0.693 1 1 237 . 14 1 1 A 20 20 LEU CA C 20 54.200 53.993 0.207 1 1 238 . 14 1 1 A 20 20 LEU CB C 20 46.300 46.125 0.175 1 1 241 . 14 1 1 A 20 20 LEU N N 20 121.800 124.723 -2.923 1 1 242 . 14 1 1 A 21 21 LYS H H 21 8.550 9.073 -0.523 1 1 243 . 14 1 1 A 21 21 LYS HA H 21 5.450 5.299 0.151 1 1 252 . 14 1 1 A 21 21 LYS C C 21 174.800 175.149 -0.349 1 1 253 . 14 1 1 A 21 21 LYS CA C 21 55.350 54.758 0.592 1 1 254 . 14 1 1 A 21 21 LYS CB C 21 34.300 35.330 -1.030 1 1 258 . 14 1 1 A 21 21 LYS N N 21 122.500 128.279 -5.779 1 1 259 . 14 1 1 A 22 22 ALA H H 22 9.090 8.347 0.743 1 1 260 . 14 1 1 A 22 22 ALA HA H 22 4.830 4.769 0.061 1 1 264 . 14 1 1 A 22 22 ALA C C 22 173.800 174.896 -1.096 1 1 265 . 14 1 1 A 22 22 ALA CA C 22 51.300 51.322 -0.022 1 1 266 . 14 1 1 A 22 22 ALA CB C 22 24.700 22.816 1.884 1 1 267 . 14 1 1 A 22 22 ALA N N 22 123.200 126.957 -3.757 1 1 268 . 14 1 1 A 23 23 LYS H H 23 9.190 8.211 0.979 1 1 269 . 14 1 1 A 23 23 LYS HA H 23 5.080 5.134 -0.054 1 1 276 . 14 1 1 A 23 23 LYS C C 23 176.900 175.319 1.581 1 1 277 . 14 1 1 A 23 23 LYS CA C 23 54.100 54.512 -0.412 1 1 278 . 14 1 1 A 23 23 LYS CB C 23 35.800 35.831 -0.031 1 1 281 . 14 1 1 A 23 23 LYS N N 23 121.100 118.965 2.135 1 1 282 . 14 1 1 A 24 24 VAL H H 24 8.620 8.676 -0.056 1 1 283 . 14 1 1 A 24 24 VAL HA H 24 4.110 4.269 -0.159 1 1 291 . 14 1 1 A 24 24 VAL C C 24 175.800 176.966 -1.166 1 1 292 . 14 1 1 A 24 24 VAL CA C 24 62.750 63.066 -0.316 1 1 293 . 14 1 1 A 24 24 VAL CB C 24 30.500 31.789 -1.289 1 1 296 . 14 1 1 A 24 24 VAL N N 24 125.600 126.245 -0.645 1 1 297 . 14 1 1 A 25 25 ILE H H 25 8.430 8.540 -0.110 1 1 298 . 14 1 1 A 25 25 ILE HA H 25 4.210 4.306 -0.096 1 1 308 . 14 1 1 A 25 25 ILE C C 25 176.700 175.882 0.818 1 1 309 . 14 1 1 A 25 25 ILE CA C 25 62.100 61.747 0.353 1 1 310 . 14 1 1 A 25 25 ILE CB C 25 38.300 38.675 -0.375 1 1 314 . 14 1 1 A 25 25 ILE N N 25 127.400 123.747 3.653 1 1 315 . 14 1 1 A 26 26 GLN H H 26 7.590 7.634 -0.044 1 1 316 . 14 1 1 A 26 26 GLN HA H 26 4.560 4.617 -0.057 1 1 323 . 14 1 1 A 26 26 GLN C C 26 173.700 173.357 0.343 1 1 324 . 14 1 1 A 26 26 GLN CA C 26 55.400 55.430 -0.030 1 1 325 . 14 1 1 A 26 26 GLN CB C 26 34.100 32.129 1.971 1 1 327 . 14 1 1 A 26 26 GLN N N 26 117.100 120.624 -3.524 1 1 329 . 14 1 1 A 27 27 LEU H H 27 8.470 8.572 -0.102 1 1 330 . 14 1 1 A 27 27 LEU HA H 27 4.710 5.223 -0.513 1 1 340 . 14 1 1 A 27 27 LEU C C 27 176.200 175.722 0.478 1 1 341 . 14 1 1 A 27 27 LEU CA C 27 54.100 53.497 0.603 1 1 342 . 14 1 1 A 27 27 LEU CB C 27 44.000 45.433 -1.433 1 1 346 . 14 1 1 A 27 27 LEU N N 27 123.600 124.273 -0.673 1 1 347 . 14 1 1 A 28 28 TRP H H 28 8.850 9.461 -0.611 1 1 348 . 14 1 1 A 28 28 TRP HA H 28 5.180 5.173 0.007 1 1 357 . 14 1 1 A 28 28 TRP C C 28 175.900 175.216 0.684 1 1 358 . 14 1 1 A 28 28 TRP CA C 28 53.300 55.551 -2.251 1 1 359 . 14 1 1 A 28 28 TRP CB C 28 31.400 31.422 -0.022 1 1 365 . 14 1 1 A 28 28 TRP N N 28 123.900 122.534 1.366 1 1 367 . 14 1 1 A 29 29 GLU H H 29 8.620 9.034 -0.414 1 1 368 . 14 1 1 A 29 29 GLU HA H 29 4.250 4.535 -0.285 1 1 373 . 14 1 1 A 29 29 GLU C C 29 175.700 176.755 -1.055 1 1 374 . 14 1 1 A 29 29 GLU CA C 29 56.800 56.583 0.217 1 1 375 . 14 1 1 A 29 29 GLU CB C 29 30.000 30.156 -0.156 1 1 377 . 14 1 1 A 29 29 GLU N N 29 120.700 125.223 -4.523 1 1 378 . 14 1 1 A 30 30 ASN H H 30 8.720 8.089 0.631 1 1 379 . 14 1 1 A 30 30 ASN HA H 30 4.870 4.785 0.085 1 1 384 . 14 1 1 A 30 30 ASN C C 30 174.800 175.872 -1.072 1 1 385 . 14 1 1 A 30 30 ASN CA C 30 53.800 52.502 1.298 1 1 386 . 14 1 1 A 30 30 ASN CB C 30 41.200 40.093 1.107 1 1 387 . 14 1 1 A 30 30 ASN N N 30 121.400 118.382 3.018 1 1 389 . 14 1 1 A 31 31 THR H H 31 8.300 7.501 0.799 1 1 390 . 14 1 1 A 31 31 THR HA H 31 4.430 3.877 0.553 1 1 395 . 14 1 1 A 31 31 THR C C 31 174.200 173.626 0.574 1 1 396 . 14 1 1 A 31 31 THR CA C 31 61.000 63.598 -2.598 1 1 397 . 14 1 1 A 31 31 THR CB C 31 69.600 66.210 3.390 1 1 399 . 14 1 1 A 31 31 THR N N 31 114.200 109.887 4.313 1 1 400 . 14 1 1 A 32 32 HIS H H 32 7.840 7.595 0.245 1 1 401 . 14 1 1 A 32 32 HIS HA H 32 4.560 4.416 0.144 1 1 405 . 14 1 1 A 32 32 HIS C C 32 177.300 176.311 0.989 1 1 406 . 14 1 1 A 32 32 HIS CA C 32 57.600 56.493 1.107 1 1 407 . 14 1 1 A 32 32 HIS CB C 32 32.000 30.256 1.744 1 1 409 . 14 1 1 A 32 32 HIS N N 32 122.500 119.942 2.558 1 1 410 . 14 1 1 A 33 33 GLU H H 33 9.020 9.251 -0.231 1 1 411 . 14 1 1 A 33 33 GLU HA H 33 4.120 4.035 0.085 1 1 416 . 14 1 1 A 33 33 GLU C C 33 177.100 178.989 -1.889 1 1 417 . 14 1 1 A 33 33 GLU CA C 33 59.000 60.018 -1.018 1 1 418 . 14 1 1 A 33 33 GLU CB C 33 29.400 29.436 -0.036 1 1 420 . 14 1 1 A 33 33 GLU N N 33 127.300 123.752 3.548 1 1 421 . 14 1 1 A 34 34 SER H H 34 9.430 8.091 1.339 1 1 422 . 14 1 1 A 34 34 SER HA H 34 4.580 4.457 0.123 1 1 425 . 14 1 1 A 34 34 SER C C 34 174.800 174.144 0.656 1 1 426 . 14 1 1 A 34 34 SER CA C 34 59.500 61.575 -2.075 1 1 427 . 14 1 1 A 34 34 SER CB C 34 63.600 63.315 0.285 1 1 428 . 14 1 1 A 34 34 SER N N 34 113.400 115.059 -1.659 1 1 429 . 14 1 1 A 35 35 ILE H H 35 7.920 8.165 -0.245 1 1 430 . 14 1 1 A 35 35 ILE HA H 35 4.080 4.392 -0.312 1 1 440 . 14 1 1 A 35 35 ILE C C 35 174.300 175.745 -1.445 1 1 441 . 14 1 1 A 35 35 ILE CA C 35 61.600 60.133 1.467 1 1 442 . 14 1 1 A 35 35 ILE CB C 35 40.700 39.305 1.395 1 1 446 . 14 1 1 A 35 35 ILE N N 35 125.800 119.124 6.676 1 1 447 . 14 1 1 A 36 36 SER H H 36 9.010 8.711 0.299 1 1 448 . 14 1 1 A 36 36 SER HA H 36 4.480 4.528 -0.048 1 1 451 . 14 1 1 A 36 36 SER C C 36 174.900 174.005 0.895 1 1 452 . 14 1 1 A 36 36 SER CA C 36 58.800 59.493 -0.693 1 1 453 . 14 1 1 A 36 36 SER CB C 36 64.300 63.176 1.124 1 1 454 . 14 1 1 A 36 36 SER N N 36 119.100 120.394 -1.294 1 1 455 . 14 1 1 A 37 37 GLN H H 37 7.390 7.159 0.231 1 1 456 . 14 1 1 A 37 37 GLN HA H 37 4.690 5.077 -0.387 1 1 463 . 14 1 1 A 37 37 GLN C C 37 171.800 174.430 -2.630 1 1 464 . 14 1 1 A 37 37 GLN CA C 37 54.900 54.995 -0.095 1 1 465 . 14 1 1 A 37 37 GLN CB C 37 36.200 33.513 2.687 1 1 466 . 14 1 1 A 37 37 GLN N N 37 116.500 117.705 -1.205 1 1 468 . 14 1 1 A 38 38 VAL H H 38 8.640 8.898 -0.258 1 1 469 . 14 1 1 A 38 38 VAL HA H 38 4.160 4.603 -0.443 1 1 477 . 14 1 1 A 38 38 VAL C C 38 172.400 174.835 -2.435 1 1 478 . 14 1 1 A 38 38 VAL CA C 38 58.500 60.080 -1.580 1 1 479 . 14 1 1 A 38 38 VAL CB C 38 35.300 35.965 -0.665 1 1 482 . 14 1 1 A 38 38 VAL N N 38 120.400 121.048 -0.648 1 1 483 . 14 1 1 A 39 39 GLY H H 39 6.440 7.064 -0.624 1 1 484 . 14 1 1 A 39 39 GLY HA2 H 39 3.690 4.058 -0.368 1 1 485 . 14 1 1 A 39 39 GLY HA3 H 39 1.940 4.199 -2.259 1 1 486 . 14 1 1 A 39 39 GLY C C 39 170.600 171.302 -0.702 1 1 487 . 14 1 1 A 39 39 GLY CA C 39 45.300 45.829 -0.529 1 1 488 . 14 1 1 A 39 39 GLY N N 39 109.600 110.106 -0.506 1 1 489 . 14 1 1 A 40 40 LEU H H 40 8.380 8.365 0.015 1 1 490 . 14 1 1 A 40 40 LEU HA H 40 4.980 5.366 -0.386 1 1 499 . 14 1 1 A 40 40 LEU C C 40 176.000 175.679 0.321 1 1 500 . 14 1 1 A 40 40 LEU CA C 40 53.200 53.332 -0.132 1 1 501 . 14 1 1 A 40 40 LEU CB C 40 47.400 45.656 1.744 1 1 504 . 14 1 1 A 40 40 LEU N N 40 119.500 121.466 -1.966 1 1 505 . 14 1 1 A 41 41 LEU H H 41 9.410 9.282 0.128 1 1 506 . 14 1 1 A 41 41 LEU HA H 41 5.320 5.100 0.220 1 1 516 . 14 1 1 A 41 41 LEU C C 41 176.700 175.733 0.967 1 1 517 . 14 1 1 A 41 41 LEU CA C 41 52.400 53.094 -0.694 1 1 518 . 14 1 1 A 41 41 LEU CB C 41 44.900 44.041 0.859 1 1 522 . 14 1 1 A 41 41 LEU N N 41 122.700 122.593 0.107 1 1 523 . 14 1 1 A 42 42 GLY H H 42 9.210 10.040 -0.830 1 1 524 . 14 1 1 A 42 42 GLY HA2 H 42 3.550 4.082 -0.532 1 1 525 . 14 1 1 A 42 42 GLY HA3 H 42 5.350 4.087 1.263 1 1 526 . 14 1 1 A 42 42 GLY C C 42 171.200 172.662 -1.462 1 1 527 . 14 1 1 A 42 42 GLY CA C 42 45.700 45.487 0.213 1 1 528 . 14 1 1 A 42 42 GLY N N 42 104.600 112.786 -8.186 1 1 529 . 14 1 1 A 43 43 ASP H H 43 8.960 8.827 0.133 1 1 530 . 14 1 1 A 43 43 ASP HA H 43 4.640 4.961 -0.321 1 1 533 . 14 1 1 A 43 43 ASP C C 43 175.600 177.260 -1.660 1 1 534 . 14 1 1 A 43 43 ASP CA C 43 52.700 53.120 -0.420 1 1 535 . 14 1 1 A 43 43 ASP CB C 43 41.600 43.631 -2.031 1 1 536 . 14 1 1 A 43 43 ASP N N 43 121.900 126.756 -4.856 1 1 537 . 14 1 1 A 44 44 GLU H H 44 10.150 9.037 1.113 1 1 538 . 14 1 1 A 44 44 GLU HA H 44 4.380 4.034 0.346 1 1 543 . 14 1 1 A 44 44 GLU C C 44 176.900 177.568 -0.668 1 1 544 . 14 1 1 A 44 44 GLU CA C 44 59.300 58.670 0.630 1 1 545 . 14 1 1 A 44 44 GLU CB C 44 28.100 29.685 -1.585 1 1 547 . 14 1 1 A 44 44 GLU N N 44 118.000 122.445 -4.445 1 1 548 . 14 1 1 A 45 45 THR H H 45 9.600 7.674 1.926 1 1 549 . 14 1 1 A 45 45 THR HA H 45 4.580 4.482 0.098 1 1 554 . 14 1 1 A 45 45 THR C C 45 174.800 173.869 0.931 1 1 555 . 14 1 1 A 45 45 THR CA C 45 61.700 62.365 -0.665 1 1 556 . 14 1 1 A 45 45 THR CB C 45 70.000 69.600 0.400 1 1 558 . 14 1 1 A 45 45 THR N N 45 112.000 109.107 2.893 1 1 559 . 14 1 1 A 46 46 GLY H H 46 7.640 7.248 0.392 1 1 560 . 14 1 1 A 46 46 GLY HA2 H 46 3.830 4.120 -0.290 1 1 561 . 14 1 1 A 46 46 GLY HA3 H 46 4.000 4.126 -0.126 1 1 562 . 14 1 1 A 46 46 GLY C C 46 169.400 171.484 -2.084 1 1 563 . 14 1 1 A 46 46 GLY CA C 46 46.000 45.257 0.743 1 1 564 . 14 1 1 A 46 46 GLY N N 46 110.600 107.879 2.721 1 1 565 . 14 1 1 A 47 47 ILE H H 47 8.000 8.511 -0.511 1 1 566 . 14 1 1 A 47 47 ILE HA H 47 5.450 5.415 0.035 1 1 576 . 14 1 1 A 47 47 ILE C C 47 175.200 174.053 1.147 1 1 577 . 14 1 1 A 47 47 ILE CA C 47 59.100 58.501 0.599 1 1 578 . 14 1 1 A 47 47 ILE CB C 47 42.400 42.423 -0.023 1 1 582 . 14 1 1 A 47 47 ILE N N 47 113.900 118.581 -4.681 1 1 583 . 14 1 1 A 48 48 ILE H H 48 9.340 8.464 0.876 1 1 584 . 14 1 1 A 48 48 ILE HA H 48 4.640 4.911 -0.271 1 1 594 . 14 1 1 A 48 48 ILE C C 48 171.500 174.164 -2.664 1 1 595 . 14 1 1 A 48 48 ILE CA C 48 60.600 59.065 1.535 1 1 596 . 14 1 1 A 48 48 ILE CB C 48 42.000 41.943 0.057 1 1 600 . 14 1 1 A 48 48 ILE N N 48 123.600 122.126 1.474 1 1 601 . 14 1 1 A 49 49 LYS H H 49 8.350 8.441 -0.091 1 1 602 . 14 1 1 A 49 49 LYS HA H 49 4.820 4.665 0.155 1 1 611 . 14 1 1 A 49 49 LYS C C 49 174.700 176.073 -1.373 1 1 612 . 14 1 1 A 49 49 LYS CA C 49 56.400 56.380 0.020 1 1 613 . 14 1 1 A 49 49 LYS CB C 49 33.800 34.581 -0.781 1 1 617 . 14 1 1 A 49 49 LYS N N 49 129.100 126.760 2.340 1 1 618 . 14 1 1 A 50 50 PHE H H 50 8.570 8.089 0.481 1 1 619 . 14 1 1 A 50 50 PHE HA H 50 5.820 5.449 0.371 1 1 627 . 14 1 1 A 50 50 PHE C C 50 172.100 172.815 -0.715 1 1 628 . 14 1 1 A 50 50 PHE CA C 50 54.800 56.380 -1.580 1 1 629 . 14 1 1 A 50 50 PHE CB C 50 43.900 42.042 1.858 1 1 635 . 14 1 1 A 50 50 PHE N N 50 122.700 116.820 5.880 1 1 636 . 14 1 1 A 51 51 THR H H 51 8.190 8.507 -0.317 1 1 637 . 14 1 1 A 51 51 THR HA H 51 4.320 4.828 -0.508 1 1 642 . 14 1 1 A 51 51 THR C C 51 172.900 173.021 -0.121 1 1 643 . 14 1 1 A 51 51 THR CA C 51 61.700 61.297 0.403 1 1 644 . 14 1 1 A 51 51 THR CB C 51 72.500 71.819 0.681 1 1 646 . 14 1 1 A 51 51 THR N N 51 114.400 114.737 -0.337 1 1 647 . 14 1 1 A 52 52 ILE H H 52 8.880 8.998 -0.118 1 1 648 . 14 1 1 A 52 52 ILE HA H 52 4.650 4.589 0.061 1 1 658 . 14 1 1 A 52 52 ILE C C 52 176.000 175.087 0.913 1 1 659 . 14 1 1 A 52 52 ILE CA C 52 60.500 60.244 0.256 1 1 660 . 14 1 1 A 52 52 ILE CB C 52 38.900 39.804 -0.904 1 1 664 . 14 1 1 A 52 52 ILE N N 52 123.400 126.696 -3.296 1 1 665 . 14 1 1 A 53 53 TRP H H 53 8.020 8.550 -0.530 1 1 666 . 14 1 1 A 53 53 TRP HA H 53 4.740 4.813 -0.073 1 1 675 . 14 1 1 A 53 53 TRP C C 53 177.500 177.420 0.080 1 1 676 . 14 1 1 A 53 53 TRP CA C 53 57.700 57.426 0.274 1 1 677 . 14 1 1 A 53 53 TRP CB C 53 30.400 30.262 0.138 1 1 683 . 14 1 1 A 53 53 TRP N N 53 129.500 128.876 0.624 1 1 685 . 14 1 1 A 54 54 LYS H H 54 8.980 9.013 -0.033 1 1 686 . 14 1 1 A 54 54 LYS HA H 54 4.100 3.999 0.101 1 1 695 . 14 1 1 A 54 54 LYS C C 54 177.700 178.516 -0.816 1 1 696 . 14 1 1 A 54 54 LYS CA C 54 59.400 59.865 -0.465 1 1 697 . 14 1 1 A 54 54 LYS CB C 54 32.400 32.239 0.161 1 1 701 . 14 1 1 A 54 54 LYS N N 54 125.500 124.868 0.632 1 1 702 . 14 1 1 A 55 55 ASN H H 55 8.600 8.290 0.310 1 1 703 . 14 1 1 A 55 55 ASN HA H 55 4.510 4.672 -0.162 1 1 708 . 14 1 1 A 55 55 ASN C C 55 175.300 176.896 -1.596 1 1 709 . 14 1 1 A 55 55 ASN CA C 55 53.700 55.197 -1.497 1 1 710 . 14 1 1 A 55 55 ASN CB C 55 37.100 38.157 -1.057 1 1 711 . 14 1 1 A 55 55 ASN N N 55 115.400 117.405 -2.005 1 1 713 . 14 1 1 A 56 56 ALA H H 56 7.630 8.061 -0.431 1 1 714 . 14 1 1 A 56 56 ALA HA H 56 3.970 4.346 -0.376 1 1 718 . 14 1 1 A 56 56 ALA C C 56 176.100 177.098 -0.998 1 1 719 . 14 1 1 A 56 56 ALA CA C 56 53.500 53.430 0.070 1 1 720 . 14 1 1 A 56 56 ALA CB C 56 18.400 19.759 -1.359 1 1 721 . 14 1 1 A 56 56 ALA N N 56 121.200 121.053 0.147 1 1 722 . 14 1 1 A 57 57 GLU H H 57 7.880 7.857 0.023 1 1 723 . 14 1 1 A 57 57 GLU HA H 57 3.940 3.865 0.075 1 1 728 . 14 1 1 A 57 57 GLU C C 57 175.400 175.086 0.314 1 1 729 . 14 1 1 A 57 57 GLU CA C 57 56.700 57.324 -0.624 1 1 730 . 14 1 1 A 57 57 GLU CB C 57 27.300 27.396 -0.096 1 1 732 . 14 1 1 A 57 57 GLU N N 57 112.500 114.577 -2.077 1 1 733 . 14 1 1 A 58 58 LEU H H 58 7.910 7.865 0.045 1 1 734 . 14 1 1 A 58 58 LEU HA H 58 4.740 4.722 0.018 1 1 744 . 14 1 1 A 58 58 LEU C C 58 175.400 174.414 0.986 1 1 745 . 14 1 1 A 58 58 LEU CA C 58 52.300 52.183 0.117 1 1 746 . 14 1 1 A 58 58 LEU CB C 58 42.900 42.074 0.826 1 1 750 . 14 1 1 A 58 58 LEU N N 58 120.000 120.745 -0.745 1 1 751 . 14 1 1 A 59 59 PRO HA H 59 4.380 4.463 -0.083 1 1 758 . 14 1 1 A 59 59 PRO CA C 59 62.200 62.964 -0.764 1 1 759 . 14 1 1 A 59 59 PRO CB C 59 32.000 31.988 0.012 1 1 762 . 14 1 1 A 60 60 LEU H H 60 7.860 8.182 -0.322 1 1 763 . 14 1 1 A 60 60 LEU HA H 60 3.920 4.347 -0.427 1 1 773 . 14 1 1 A 60 60 LEU C C 60 178.300 176.997 1.303 1 1 774 . 14 1 1 A 60 60 LEU CA C 60 55.000 54.827 0.173 1 1 775 . 14 1 1 A 60 60 LEU CB C 60 41.800 42.416 -0.616 1 1 779 . 14 1 1 A 60 60 LEU N N 60 117.500 123.878 -6.378 1 1 780 . 14 1 1 A 61 61 LEU H H 61 9.680 8.388 1.292 1 1 781 . 14 1 1 A 61 61 LEU HA H 61 4.040 4.007 0.033 1 1 791 . 14 1 1 A 61 61 LEU C C 61 177.300 176.724 0.576 1 1 792 . 14 1 1 A 61 61 LEU CA C 61 54.100 54.144 -0.044 1 1 793 . 14 1 1 A 61 61 LEU CB C 61 41.300 42.134 -0.834 1 1 797 . 14 1 1 A 61 61 LEU N N 61 122.300 124.889 -2.589 1 1 798 . 14 1 1 A 62 62 GLU H H 62 8.390 8.802 -0.412 1 1 799 . 14 1 1 A 62 62 GLU HA H 62 4.430 4.753 -0.323 1 1 804 . 14 1 1 A 62 62 GLU C C 62 175.600 176.484 -0.884 1 1 805 . 14 1 1 A 62 62 GLU CA C 62 54.800 54.530 0.270 1 1 806 . 14 1 1 A 62 62 GLU CB C 62 32.200 32.129 0.071 1 1 808 . 14 1 1 A 62 62 GLU N N 62 120.500 122.621 -2.121 1 1 809 . 14 1 1 A 63 63 GLN H H 63 8.780 8.658 0.122 1 1 810 . 14 1 1 A 63 63 GLN HA H 63 3.700 4.343 -0.643 1 1 817 . 14 1 1 A 63 63 GLN C C 63 176.600 176.288 0.312 1 1 818 . 14 1 1 A 63 63 GLN CA C 63 58.100 56.397 1.703 1 1 819 . 14 1 1 A 63 63 GLN CB C 63 28.300 28.933 -0.633 1 1 821 . 14 1 1 A 63 63 GLN N N 63 123.300 122.451 0.849 1 1 823 . 14 1 1 A 64 64 GLY H H 64 9.140 9.310 -0.170 1 1 824 . 14 1 1 A 64 64 GLY HA2 H 64 3.580 3.963 -0.383 1 1 825 . 14 1 1 A 64 64 GLY HA3 H 64 4.390 3.967 0.423 1 1 826 . 14 1 1 A 64 64 GLY C C 64 173.900 173.372 0.528 1 1 827 . 14 1 1 A 64 64 GLY CA C 64 45.300 45.234 0.066 1 1 828 . 14 1 1 A 64 64 GLY N N 64 115.100 112.206 2.894 1 1 829 . 14 1 1 A 65 65 GLU H H 65 7.590 7.547 0.043 1 1 830 . 14 1 1 A 65 65 GLU HA H 65 4.490 4.476 0.014 1 1 835 . 14 1 1 A 65 65 GLU C C 65 174.200 175.541 -1.341 1 1 836 . 14 1 1 A 65 65 GLU CA C 65 54.900 55.133 -0.233 1 1 837 . 14 1 1 A 65 65 GLU CB C 65 30.500 31.341 -0.841 1 1 839 . 14 1 1 A 65 65 GLU N N 65 120.300 122.080 -1.780 1 1 840 . 14 1 1 A 66 66 SER H H 66 8.700 8.431 0.269 1 1 841 . 14 1 1 A 66 66 SER HA H 66 5.330 4.747 0.583 1 1 844 . 14 1 1 A 66 66 SER C C 66 174.100 173.039 1.061 1 1 845 . 14 1 1 A 66 66 SER CA C 66 58.300 58.514 -0.214 1 1 846 . 14 1 1 A 66 66 SER CB C 66 65.500 63.966 1.534 1 1 847 . 14 1 1 A 66 66 SER N N 66 116.500 121.923 -5.423 1 1 848 . 14 1 1 A 67 67 TYR H H 67 9.090 8.891 0.199 1 1 849 . 14 1 1 A 67 67 TYR HA H 67 5.110 4.958 0.152 1 1 856 . 14 1 1 A 67 67 TYR C C 67 173.900 174.394 -0.494 1 1 857 . 14 1 1 A 67 67 TYR CA C 67 57.500 56.331 1.169 1 1 858 . 14 1 1 A 67 67 TYR CB C 67 43.900 42.903 0.997 1 1 863 . 14 1 1 A 67 67 TYR N N 67 119.000 121.764 -2.764 1 1 864 . 14 1 1 A 68 68 LEU H H 68 9.230 8.788 0.442 1 1 865 . 14 1 1 A 68 68 LEU HA H 68 5.000 5.133 -0.133 1 1 875 . 14 1 1 A 68 68 LEU C C 68 175.300 174.510 0.790 1 1 876 . 14 1 1 A 68 68 LEU CA C 68 54.300 53.811 0.489 1 1 877 . 14 1 1 A 68 68 LEU CB C 68 43.800 44.974 -1.174 1 1 881 . 14 1 1 A 68 68 LEU N N 68 121.800 124.877 -3.077 1 1 882 . 14 1 1 A 69 69 LEU H H 69 9.460 8.905 0.555 1 1 883 . 14 1 1 A 69 69 LEU HA H 69 5.010 4.958 0.052 1 1 893 . 14 1 1 A 69 69 LEU C C 69 175.000 175.649 -0.649 1 1 894 . 14 1 1 A 69 69 LEU CA C 69 54.100 53.632 0.468 1 1 895 . 14 1 1 A 69 69 LEU CB C 69 42.300 43.000 -0.700 1 1 899 . 14 1 1 A 69 69 LEU N N 69 128.500 128.441 0.059 1 1 900 . 14 1 1 A 70 70 ARG H H 70 8.910 8.520 0.390 1 1 901 . 14 1 1 A 70 70 ARG HA H 70 4.850 5.068 -0.218 1 1 909 . 14 1 1 A 70 70 ARG C C 70 176.400 176.511 -0.111 1 1 910 . 14 1 1 A 70 70 ARG CA C 70 54.900 54.621 0.279 1 1 911 . 14 1 1 A 70 70 ARG CB C 70 32.300 33.018 -0.718 1 1 914 . 14 1 1 A 70 70 ARG N N 70 121.500 124.300 -2.800 1 1 916 . 14 1 1 A 71 71 SER H H 71 8.800 9.041 -0.241 1 1 917 . 14 1 1 A 71 71 SER HA H 71 3.870 4.179 -0.309 1 1 920 . 14 1 1 A 71 71 SER C C 71 175.800 173.370 2.430 1 1 921 . 14 1 1 A 71 71 SER CA C 71 58.600 59.134 -0.534 1 1 922 . 14 1 1 A 71 71 SER CB C 71 62.000 61.744 0.256 1 1 923 . 14 1 1 A 71 71 SER N N 71 114.400 117.688 -3.288 1 1 924 . 14 1 1 A 72 72 VAL H H 72 8.750 7.581 1.169 1 1 925 . 14 1 1 A 72 72 VAL HA H 72 4.610 5.208 -0.598 1 1 933 . 14 1 1 A 72 72 VAL C C 72 173.300 174.030 -0.730 1 1 934 . 14 1 1 A 72 72 VAL CA C 72 59.300 59.533 -0.233 1 1 935 . 14 1 1 A 72 72 VAL CB C 72 31.900 34.784 -2.884 1 1 938 . 14 1 1 A 72 72 VAL N N 72 115.500 115.301 0.199 1 1 939 . 14 1 1 A 73 73 VAL H H 73 7.940 8.330 -0.390 1 1 940 . 14 1 1 A 73 73 VAL HA H 73 4.760 4.630 0.130 1 1 948 . 14 1 1 A 73 73 VAL C C 73 174.300 173.423 0.877 1 1 949 . 14 1 1 A 73 73 VAL CA C 73 58.800 59.325 -0.525 1 1 950 . 14 1 1 A 73 73 VAL CB C 73 34.500 35.127 -0.627 1 1 953 . 14 1 1 A 73 73 VAL N N 73 118.200 120.993 -2.793 1 1 954 . 14 1 1 A 74 74 VAL H H 74 8.430 8.018 0.412 1 1 955 . 14 1 1 A 74 74 VAL HA H 74 4.560 4.820 -0.260 1 1 963 . 14 1 1 A 74 74 VAL C C 74 177.300 175.525 1.775 1 1 964 . 14 1 1 A 74 74 VAL CA C 74 62.100 60.828 1.272 1 1 965 . 14 1 1 A 74 74 VAL CB C 74 32.700 32.942 -0.242 1 1 968 . 14 1 1 A 74 74 VAL N N 74 127.800 125.665 2.135 1 1 969 . 14 1 1 A 75 75 GLY H H 75 9.040 9.351 -0.311 1 1 970 . 14 1 1 A 75 75 GLY HA2 H 75 3.750 4.288 -0.538 1 1 971 . 14 1 1 A 75 75 GLY HA3 H 75 5.120 4.325 0.795 1 1 972 . 14 1 1 A 75 75 GLY C C 75 172.500 171.882 0.618 1 1 973 . 14 1 1 A 75 75 GLY CA C 75 43.700 43.840 -0.140 1 1 974 . 14 1 1 A 75 75 GLY N N 75 116.000 115.522 0.478 1 1 975 . 14 1 1 A 76 76 GLU H H 76 8.380 8.724 -0.344 1 1 976 . 14 1 1 A 76 76 GLU HA H 76 4.690 5.104 -0.414 1 1 981 . 14 1 1 A 76 76 GLU C C 76 176.000 174.972 1.028 1 1 982 . 14 1 1 A 76 76 GLU CA C 76 56.100 55.465 0.635 1 1 983 . 14 1 1 A 76 76 GLU CB C 76 32.000 31.550 0.450 1 1 985 . 14 1 1 A 76 76 GLU N N 76 120.200 122.333 -2.133 1 1 986 . 14 1 1 A 77 77 TYR H H 77 8.430 9.141 -0.711 1 1 987 . 14 1 1 A 77 77 TYR HA H 77 4.570 4.902 -0.332 1 1 994 . 14 1 1 A 77 77 TYR C C 77 174.200 174.849 -0.649 1 1 995 . 14 1 1 A 77 77 TYR CA C 77 56.500 57.668 -1.168 1 1 996 . 14 1 1 A 77 77 TYR CB C 77 39.800 41.723 -1.923 1 1 1001 . 14 1 1 A 77 77 TYR N N 77 124.400 128.343 -3.943 1 1 1002 . 14 1 1 A 78 78 ASN H H 78 9.100 9.137 -0.037 1 1 1003 . 14 1 1 A 78 78 ASN HA H 78 4.000 4.178 -0.178 1 1 1008 . 14 1 1 A 78 78 ASN C C 78 177.300 174.136 3.164 1 1 1009 . 14 1 1 A 78 78 ASN CA C 78 54.700 54.401 0.299 1 1 1010 . 14 1 1 A 78 78 ASN CB C 78 36.600 36.477 0.123 1 1 1011 . 14 1 1 A 78 78 ASN N N 78 125.800 125.733 0.067 1 1 1013 . 14 1 1 A 79 79 ASP H H 79 8.640 8.470 0.170 1 1 1014 . 14 1 1 A 79 79 ASP HA H 79 4.240 4.086 0.154 1 1 1017 . 14 1 1 A 79 79 ASP C C 79 174.600 174.186 0.414 1 1 1018 . 14 1 1 A 79 79 ASP CA C 79 54.900 55.492 -0.592 1 1 1019 . 14 1 1 A 79 79 ASP CB C 79 39.700 39.408 0.292 1 1 1020 . 14 1 1 A 79 79 ASP N N 79 115.700 109.513 6.187 1 1 1021 . 14 1 1 A 80 80 ARG H H 80 7.880 7.646 0.234 1 1 1022 . 14 1 1 A 80 80 ARG HA H 80 4.370 4.367 0.003 1 1 1030 . 14 1 1 A 80 80 ARG C C 80 175.000 175.163 -0.163 1 1 1031 . 14 1 1 A 80 80 ARG CA C 80 54.200 55.064 -0.864 1 1 1032 . 14 1 1 A 80 80 ARG CB C 80 31.800 31.930 -0.130 1 1 1035 . 14 1 1 A 80 80 ARG N N 80 119.700 120.427 -0.727 1 1 1037 . 14 1 1 A 81 81 PHE H H 81 8.410 8.201 0.209 1 1 1038 . 14 1 1 A 81 81 PHE HA H 81 5.420 4.778 0.642 1 1 1046 . 14 1 1 A 81 81 PHE C C 81 174.400 175.716 -1.316 1 1 1047 . 14 1 1 A 81 81 PHE CA C 81 57.200 58.680 -1.480 1 1 1048 . 14 1 1 A 81 81 PHE CB C 81 42.000 40.307 1.693 1 1 1054 . 14 1 1 A 81 81 PHE N N 81 120.700 126.320 -5.620 1 1 1055 . 14 1 1 A 82 82 GLN H H 82 8.950 9.136 -0.186 1 1 1056 . 14 1 1 A 82 82 GLN HA H 82 5.110 4.956 0.154 1 1 1063 . 14 1 1 A 82 82 GLN C C 82 172.400 173.771 -1.371 1 1 1064 . 14 1 1 A 82 82 GLN CA C 82 53.500 54.353 -0.853 1 1 1065 . 14 1 1 A 82 82 GLN CB C 82 31.900 32.654 -0.754 1 1 1067 . 14 1 1 A 82 82 GLN N N 82 115.000 118.926 -3.926 1 1 1069 . 14 1 1 A 83 83 VAL H H 83 9.090 8.456 0.634 1 1 1070 . 14 1 1 A 83 83 VAL HA H 83 4.380 4.891 -0.511 1 1 1078 . 14 1 1 A 83 83 VAL C C 83 174.600 174.907 -0.307 1 1 1079 . 14 1 1 A 83 83 VAL CA C 83 61.600 60.918 0.682 1 1 1080 . 14 1 1 A 83 83 VAL CB C 83 33.500 33.612 -0.112 1 1 1083 . 14 1 1 A 83 83 VAL N N 83 118.900 117.231 1.669 1 1 1084 . 14 1 1 A 84 84 GLN H H 84 9.280 8.941 0.339 1 1 1085 . 14 1 1 A 84 84 GLN HA H 84 5.020 4.820 0.200 1 1 1092 . 14 1 1 A 84 84 GLN C C 84 174.500 174.784 -0.284 1 1 1093 . 14 1 1 A 84 84 GLN CA C 84 54.400 55.155 -0.755 1 1 1094 . 14 1 1 A 84 84 GLN CB C 84 29.900 30.512 -0.612 1 1 1096 . 14 1 1 A 84 84 GLN N N 84 124.800 126.097 -1.297 1 1 1098 . 14 1 1 A 85 85 VAL H H 85 8.680 8.975 -0.295 1 1 1099 . 14 1 1 A 85 85 VAL HA H 85 4.300 4.725 -0.425 1 1 1107 . 14 1 1 A 85 85 VAL C C 85 174.500 175.148 -0.648 1 1 1108 . 14 1 1 A 85 85 VAL CA C 85 61.700 61.523 0.177 1 1 1109 . 14 1 1 A 85 85 VAL CB C 85 31.700 32.892 -1.192 1 1 1112 . 14 1 1 A 85 85 VAL N N 85 125.500 125.002 0.498 1 1 1113 . 14 1 1 A 86 86 ASN H H 86 8.740 8.552 0.188 1 1 1114 . 14 1 1 A 86 86 ASN HA H 86 5.240 5.346 -0.106 1 1 1119 . 14 1 1 A 86 86 ASN C C 86 175.300 175.972 -0.672 1 1 1120 . 14 1 1 A 86 86 ASN CA C 86 51.800 51.304 0.496 1 1 1121 . 14 1 1 A 86 86 ASN CB C 86 42.400 40.163 2.237 1 1 1122 . 14 1 1 A 86 86 ASN N N 86 124.000 125.363 -1.363 1 1 1124 . 14 1 1 A 87 87 LYS H H 87 8.530 9.156 -0.626 1 1 1125 . 14 1 1 A 87 87 LYS HA H 87 4.210 4.123 0.087 1 1 1134 . 14 1 1 A 87 87 LYS C C 87 176.700 177.736 -1.036 1 1 1135 . 14 1 1 A 87 87 LYS CA C 87 59.000 58.903 0.097 1 1 1136 . 14 1 1 A 87 87 LYS CB C 87 32.400 32.002 0.398 1 1 1140 . 14 1 1 A 87 87 LYS N N 87 117.600 117.417 0.183 1 1 1141 . 14 1 1 A 88 88 ASN H H 88 8.600 8.001 0.599 1 1 1142 . 14 1 1 A 88 88 ASN HA H 88 4.810 4.757 0.053 1 1 1147 . 14 1 1 A 88 88 ASN C C 88 175.600 175.826 -0.226 1 1 1148 . 14 1 1 A 88 88 ASN CA C 88 54.100 54.568 -0.468 1 1 1149 . 14 1 1 A 88 88 ASN CB C 88 39.100 39.103 -0.003 1 1 1150 . 14 1 1 A 88 88 ASN N N 88 115.500 116.931 -1.431 1 1 1152 . 14 1 1 A 89 89 SER H H 89 8.150 7.695 0.455 1 1 1153 . 14 1 1 A 89 89 SER HA H 89 5.120 4.950 0.170 1 1 1156 . 14 1 1 A 89 89 SER C C 89 172.400 173.056 -0.656 1 1 1157 . 14 1 1 A 89 89 SER CA C 89 58.100 58.282 -0.182 1 1 1158 . 14 1 1 A 89 89 SER CB C 89 64.000 65.211 -1.211 1 1 1159 . 14 1 1 A 89 89 SER N N 89 117.500 116.388 1.112 1 1 1160 . 14 1 1 A 90 90 SER H H 90 8.200 8.527 -0.327 1 1 1161 . 14 1 1 A 90 90 SER HA H 90 4.680 5.407 -0.727 1 1 1164 . 14 1 1 A 90 90 SER C C 90 172.400 173.282 -0.882 1 1 1165 . 14 1 1 A 90 90 SER CA C 90 57.700 57.240 0.460 1 1 1166 . 14 1 1 A 90 90 SER CB C 90 65.700 66.508 -0.808 1 1 1167 . 14 1 1 A 90 90 SER N N 90 113.200 116.931 -3.731 1 1 1168 . 14 1 1 A 91 91 ILE H H 91 8.640 8.942 -0.302 1 1 1169 . 14 1 1 A 91 91 ILE HA H 91 5.030 5.077 -0.047 1 1 1179 . 14 1 1 A 91 91 ILE C C 91 175.300 174.623 0.677 1 1 1180 . 14 1 1 A 91 91 ILE CA C 91 60.200 60.361 -0.161 1 1 1181 . 14 1 1 A 91 91 ILE CB C 91 42.200 41.018 1.182 1 1 1185 . 14 1 1 A 91 91 ILE N N 91 119.700 122.419 -2.719 1 1 1186 . 14 1 1 A 92 92 GLU H H 92 8.810 8.682 0.128 1 1 1187 . 14 1 1 A 92 92 GLU HA H 92 4.710 4.970 -0.260 1 1 1192 . 14 1 1 A 92 92 GLU C C 92 174.700 175.306 -0.606 1 1 1193 . 14 1 1 A 92 92 GLU CA C 92 54.600 54.490 0.110 1 1 1194 . 14 1 1 A 92 92 GLU CB C 92 33.300 32.962 0.338 1 1 1196 . 14 1 1 A 92 92 GLU N N 92 125.900 126.317 -0.417 1 1 1197 . 14 1 1 A 93 93 LYS H H 93 9.080 8.579 0.501 1 1 1198 . 14 1 1 A 93 93 LYS HA H 93 4.100 4.395 -0.295 1 1 1207 . 14 1 1 A 93 93 LYS C C 93 176.400 175.984 0.416 1 1 1208 . 14 1 1 A 93 93 LYS CA C 93 57.500 56.915 0.585 1 1 1209 . 14 1 1 A 93 93 LYS CB C 93 32.900 33.307 -0.407 1 1 1213 . 14 1 1 A 93 93 LYS N N 93 127.600 126.081 1.519 1 1 1214 . 14 1 1 A 94 94 LEU H H 94 8.410 8.395 0.015 1 1 1215 . 14 1 1 A 94 94 LEU HA H 94 4.480 4.846 -0.366 1 1 1224 . 14 1 1 A 94 94 LEU C C 94 177.300 177.747 -0.447 1 1 1225 . 14 1 1 A 94 94 LEU CA C 94 53.900 53.292 0.608 1 1 1226 . 14 1 1 A 94 94 LEU CB C 94 42.900 43.523 -0.623 1 1 1230 . 14 1 1 A 94 94 LEU N N 94 127.300 126.711 0.589 1 1 1231 . 14 1 1 A 95 95 SER H H 95 8.630 8.822 -0.192 1 1 1232 . 14 1 1 A 95 95 SER HA H 95 4.350 4.397 -0.047 1 1 1235 . 14 1 1 A 95 95 SER C C 95 173.800 173.748 0.052 1 1 1236 . 14 1 1 A 95 95 SER CA C 95 58.900 58.911 -0.011 1 1 1237 . 14 1 1 A 95 95 SER CB C 95 63.400 63.540 -0.140 1 1 1238 . 14 1 1 A 95 95 SER N N 95 115.700 117.533 -1.833 1 1 1239 . 14 1 1 A 96 96 GLU H H 96 7.230 7.646 -0.416 1 1 1240 . 14 1 1 A 96 96 GLU HA H 96 4.750 4.768 -0.018 1 1 1245 . 14 1 1 A 96 96 GLU CA C 96 53.000 52.966 0.034 1 1 1246 . 14 1 1 A 96 96 GLU CB C 96 30.700 32.019 -1.319 1 1 1248 . 14 1 1 A 96 96 GLU N N 96 121.600 122.491 -0.891 1 1 1249 . 14 1 1 A 97 97 PRO HA H 97 4.250 4.718 -0.468 1 1 1256 . 14 1 1 A 97 97 PRO CA C 97 62.400 62.432 -0.032 1 1 1257 . 14 1 1 A 97 97 PRO CB C 97 32.600 32.483 0.117 1 1 1260 . 14 1 1 A 98 98 ILE H H 98 7.920 8.456 -0.536 1 1 1261 . 14 1 1 A 98 98 ILE HA H 98 4.070 4.779 -0.709 1 1 1271 . 14 1 1 A 98 98 ILE C C 98 175.400 174.831 0.569 1 1 1272 . 14 1 1 A 98 98 ILE CA C 98 59.300 59.612 -0.312 1 1 1273 . 14 1 1 A 98 98 ILE CB C 98 38.300 39.925 -1.625 1 1 1277 . 14 1 1 A 98 98 ILE N N 98 122.700 121.130 1.570 1 1 1278 . 14 1 1 A 99 99 GLU H H 99 8.550 9.040 -0.490 1 1 1279 . 14 1 1 A 99 99 GLU HA H 99 4.260 4.858 -0.598 1 1 1284 . 14 1 1 A 99 99 GLU C C 99 175.100 176.683 -1.583 1 1 1285 . 14 1 1 A 99 99 GLU CA C 99 55.500 54.998 0.502 1 1 1286 . 14 1 1 A 99 99 GLU CB C 99 30.000 31.566 -1.566 1 1 1288 . 14 1 1 A 99 99 GLU N N 99 127.900 126.730 1.170 1 1 1289 . 14 1 1 A 100 100 VAL H H 100 7.970 8.707 -0.737 1 1 1290 . 14 1 1 A 100 100 VAL HA H 100 3.980 4.415 -0.435 1 1 1298 . 14 1 1 A 100 100 VAL C C 100 176.700 176.344 0.356 1 1 1299 . 14 1 1 A 100 100 VAL CA C 100 61.000 61.698 -0.698 1 1 1300 . 14 1 1 A 100 100 VAL CB C 100 33.000 32.254 0.746 1 1 1303 . 14 1 1 A 100 100 VAL N N 100 121.100 118.936 2.164 1 1 1304 . 14 1 1 A 101 101 GLY H H 101 8.520 8.120 0.400 1 1 1305 . 14 1 1 A 101 101 GLY HA2 H 101 3.830 4.030 -0.200 1 1 1306 . 14 1 1 A 101 101 GLY HA3 H 101 3.980 4.031 -0.051 1 1 1307 . 14 1 1 A 101 101 GLY C C 101 174.200 174.242 -0.042 1 1 1308 . 14 1 1 A 101 101 GLY CA C 101 45.800 44.329 1.471 1 1 1309 . 14 1 1 A 101 101 GLY N N 101 114.000 111.901 2.099 1 1 1310 . 14 1 1 A 102 102 LEU H H 102 8.100 8.678 -0.578 1 1 1311 . 14 1 1 A 102 102 LEU HA H 102 4.170 3.730 0.440 1 1 1320 . 14 1 1 A 102 102 LEU C C 102 177.700 175.909 1.791 1 1 1321 . 14 1 1 A 102 102 LEU CA C 102 55.500 55.859 -0.359 1 1 1322 . 14 1 1 A 102 102 LEU CB C 102 42.600 40.541 2.059 1 1 1326 . 14 1 1 A 102 102 LEU N N 102 121.000 118.394 2.606 1 1 1327 . 14 1 1 A 103 103 GLU H H 103 8.420 8.102 0.318 1 1 1328 . 14 1 1 A 103 103 GLU HA H 103 4.090 4.227 -0.137 1 1 1333 . 14 1 1 A 103 103 GLU C C 103 176.400 177.207 -0.807 1 1 1334 . 14 1 1 A 103 103 GLU CA C 103 57.100 56.997 0.103 1 1 1335 . 14 1 1 A 103 103 GLU CB C 103 29.900 30.045 -0.145 1 1 1337 . 14 1 1 A 103 103 GLU N N 103 120.000 118.539 1.461 1 1 1338 . 14 1 1 A 104 104 HIS H H 104 8.180 8.409 -0.229 1 1 1339 . 14 1 1 A 104 104 HIS HA H 104 4.580 4.028 0.552 1 1 1342 . 14 1 1 A 104 104 HIS C C 104 173.800 173.854 -0.054 1 1 1343 . 14 1 1 A 104 104 HIS CA C 104 55.700 58.650 -2.950 1 1 1344 . 14 1 1 A 104 104 HIS CB C 104 30.000 28.321 1.679 1 1 1345 . 14 1 1 A 104 104 HIS N N 104 119.000 117.549 1.451 1 1 1346 . 14 1 1 A 105 105 HIS H H 105 8.160 8.226 -0.066 1 1 1347 . 14 1 1 A 105 105 HIS HA H 105 4.380 4.907 -0.527 1 1 1350 . 14 1 1 A 105 105 HIS CA C 105 57.200 54.673 2.527 1 1 1351 . 14 1 1 A 105 105 HIS CB C 105 30.000 33.963 -3.963 1 1 1 . 15 1 1 A 3 3 PRO HA H 3 4.430 4.492 -0.062 1 1 8 . 15 1 1 A 3 3 PRO C C 3 175.600 176.725 -1.125 1 1 9 . 15 1 1 A 3 3 PRO CA C 3 62.510 63.059 -0.549 1 1 10 . 15 1 1 A 3 3 PRO CB C 3 32.000 31.856 0.144 1 1 13 . 15 1 1 A 4 4 GLN H H 4 8.580 8.408 0.172 1 1 14 . 15 1 1 A 4 4 GLN HA H 4 4.260 4.561 -0.301 1 1 21 . 15 1 1 A 4 4 GLN C C 4 176.900 175.152 1.748 1 1 22 . 15 1 1 A 4 4 GLN CA C 4 55.700 56.062 -0.362 1 1 23 . 15 1 1 A 4 4 GLN CB C 4 29.200 29.184 0.016 1 1 25 . 15 1 1 A 4 4 GLN N N 4 120.000 122.103 -2.103 1 1 27 . 15 1 1 A 5 5 LEU H H 5 8.920 8.984 -0.064 1 1 28 . 15 1 1 A 5 5 LEU HA H 5 4.660 4.888 -0.228 1 1 38 . 15 1 1 A 5 5 LEU C C 5 176.900 176.258 0.642 1 1 39 . 15 1 1 A 5 5 LEU CA C 5 54.700 54.059 0.641 1 1 40 . 15 1 1 A 5 5 LEU CB C 5 43.000 43.350 -0.350 1 1 44 . 15 1 1 A 5 5 LEU N N 5 128.500 126.815 1.685 1 1 45 . 15 1 1 A 6 6 THR H H 6 8.750 8.803 -0.053 1 1 46 . 15 1 1 A 6 6 THR HA H 6 4.530 5.024 -0.494 1 1 51 . 15 1 1 A 6 6 THR C C 6 173.700 173.766 -0.066 1 1 52 . 15 1 1 A 6 6 THR CA C 6 61.600 61.544 0.056 1 1 53 . 15 1 1 A 6 6 THR CB C 6 72.000 71.149 0.851 1 1 55 . 15 1 1 A 6 6 THR N N 6 121.000 121.285 -0.285 1 1 56 . 15 1 1 A 7 7 LYS H H 7 9.080 8.932 0.148 1 1 57 . 15 1 1 A 7 7 LYS HA H 7 4.430 4.519 -0.089 1 1 66 . 15 1 1 A 7 7 LYS C C 7 178.600 178.280 0.320 1 1 67 . 15 1 1 A 7 7 LYS CA C 7 54.300 54.692 -0.392 1 1 68 . 15 1 1 A 7 7 LYS CB C 7 32.300 33.794 -1.494 1 1 72 . 15 1 1 A 7 7 LYS N N 7 126.300 124.316 1.984 1 1 73 . 15 1 1 A 8 8 ILE H H 8 9.870 8.868 1.002 1 1 74 . 15 1 1 A 8 8 ILE HA H 8 3.240 3.744 -0.504 1 1 82 . 15 1 1 A 8 8 ILE C C 8 178.700 177.902 0.798 1 1 83 . 15 1 1 A 8 8 ILE CA C 8 66.800 65.317 1.483 1 1 84 . 15 1 1 A 8 8 ILE CB C 8 36.400 37.455 -1.055 1 1 87 . 15 1 1 A 8 8 ILE N N 8 124.700 122.844 1.856 1 1 88 . 15 1 1 A 9 9 VAL H H 9 8.340 8.035 0.305 1 1 89 . 15 1 1 A 9 9 VAL HA H 9 3.930 3.860 0.070 1 1 97 . 15 1 1 A 9 9 VAL C C 9 178.700 176.886 1.814 1 1 98 . 15 1 1 A 9 9 VAL CA C 9 63.300 64.493 -1.193 1 1 99 . 15 1 1 A 9 9 VAL CB C 9 31.700 31.548 0.152 1 1 102 . 15 1 1 A 9 9 VAL N N 9 119.500 120.503 -1.003 1 1 103 . 15 1 1 A 10 10 ASP H H 10 7.510 7.993 -0.483 1 1 104 . 15 1 1 A 10 10 ASP HA H 10 4.730 4.640 0.090 1 1 107 . 15 1 1 A 10 10 ASP C C 10 174.500 176.264 -1.764 1 1 108 . 15 1 1 A 10 10 ASP CA C 10 54.400 54.084 0.316 1 1 109 . 15 1 1 A 10 10 ASP CB C 10 41.100 41.178 -0.078 1 1 110 . 15 1 1 A 10 10 ASP N N 10 119.100 120.621 -1.521 1 1 111 . 15 1 1 A 11 11 ILE H H 11 7.460 7.616 -0.156 1 1 112 . 15 1 1 A 11 11 ILE HA H 11 3.800 4.077 -0.277 1 1 122 . 15 1 1 A 11 11 ILE C C 11 174.900 175.425 -0.525 1 1 123 . 15 1 1 A 11 11 ILE CA C 11 62.100 60.787 1.313 1 1 124 . 15 1 1 A 11 11 ILE CB C 11 35.300 37.875 -2.575 1 1 128 . 15 1 1 A 11 11 ILE N N 11 124.200 121.890 2.310 1 1 129 . 15 1 1 A 12 12 VAL H H 12 8.530 8.618 -0.088 1 1 130 . 15 1 1 A 12 12 VAL HA H 12 4.260 3.967 0.293 1 1 138 . 15 1 1 A 12 12 VAL C C 12 174.900 175.044 -0.144 1 1 139 . 15 1 1 A 12 12 VAL CA C 12 60.600 61.216 -0.616 1 1 140 . 15 1 1 A 12 12 VAL CB C 12 35.400 34.469 0.931 1 1 143 . 15 1 1 A 12 12 VAL N N 12 118.400 127.458 -9.058 1 1 144 . 15 1 1 A 13 13 GLU H H 13 7.430 7.400 0.030 1 1 145 . 15 1 1 A 13 13 GLU HA H 13 4.590 4.962 -0.372 1 1 150 . 15 1 1 A 13 13 GLU C C 13 173.800 174.537 -0.737 1 1 151 . 15 1 1 A 13 13 GLU CA C 13 54.800 54.698 0.102 1 1 152 . 15 1 1 A 13 13 GLU CB C 13 33.160 33.362 -0.202 1 1 154 . 15 1 1 A 13 13 GLU N N 13 120.100 120.959 -0.859 1 1 155 . 15 1 1 A 14 14 ASN H H 14 8.800 8.788 0.012 1 1 156 . 15 1 1 A 14 14 ASN HA H 14 4.110 4.999 -0.889 1 1 161 . 15 1 1 A 14 14 ASN C C 14 176.600 175.654 0.946 1 1 162 . 15 1 1 A 14 14 ASN CA C 14 54.600 52.301 2.299 1 1 163 . 15 1 1 A 14 14 ASN CB C 14 38.900 39.578 -0.678 1 1 164 . 15 1 1 A 14 14 ASN N N 14 121.500 123.301 -1.801 1 1 166 . 15 1 1 A 15 15 GLY H H 15 8.620 9.188 -0.568 1 1 167 . 15 1 1 A 15 15 GLY HA2 H 15 3.460 3.701 -0.241 1 1 168 . 15 1 1 A 15 15 GLY HA3 H 15 4.110 3.804 0.306 1 1 169 . 15 1 1 A 15 15 GLY C C 15 173.100 173.357 -0.257 1 1 170 . 15 1 1 A 15 15 GLY CA C 15 45.300 45.867 -0.567 1 1 171 . 15 1 1 A 15 15 GLY N N 15 114.900 110.138 4.762 1 1 172 . 15 1 1 A 16 16 GLN H H 16 7.280 7.738 -0.458 1 1 173 . 15 1 1 A 16 16 GLN HA H 16 4.160 4.593 -0.433 1 1 180 . 15 1 1 A 16 16 GLN C C 16 174.400 174.906 -0.506 1 1 181 . 15 1 1 A 16 16 GLN CA C 16 56.300 54.553 1.747 1 1 182 . 15 1 1 A 16 16 GLN CB C 16 30.300 30.281 0.019 1 1 184 . 15 1 1 A 16 16 GLN N N 16 121.500 120.185 1.315 1 1 186 . 15 1 1 A 17 17 TRP H H 17 8.640 8.983 -0.343 1 1 187 . 15 1 1 A 17 17 TRP HA H 17 5.400 5.487 -0.087 1 1 196 . 15 1 1 A 17 17 TRP C C 17 176.900 176.183 0.717 1 1 197 . 15 1 1 A 17 17 TRP CA C 17 56.400 56.468 -0.068 1 1 198 . 15 1 1 A 17 17 TRP CB C 17 30.300 30.562 -0.262 1 1 204 . 15 1 1 A 17 17 TRP N N 17 125.500 126.809 -1.309 1 1 206 . 15 1 1 A 18 18 ALA H H 18 9.020 8.795 0.225 1 1 207 . 15 1 1 A 18 18 ALA HA H 18 4.650 4.849 -0.199 1 1 211 . 15 1 1 A 18 18 ALA C C 18 174.100 175.153 -1.053 1 1 212 . 15 1 1 A 18 18 ALA CA C 18 51.430 51.277 0.153 1 1 213 . 15 1 1 A 18 18 ALA CB C 18 22.600 23.169 -0.569 1 1 214 . 15 1 1 A 18 18 ALA N N 18 124.000 123.175 0.825 1 1 215 . 15 1 1 A 19 19 ASN H H 19 8.250 8.257 -0.007 1 1 216 . 15 1 1 A 19 19 ASN HA H 19 5.710 5.757 -0.047 1 1 221 . 15 1 1 A 19 19 ASN C C 19 173.500 174.226 -0.726 1 1 222 . 15 1 1 A 19 19 ASN CA C 19 51.600 52.131 -0.531 1 1 223 . 15 1 1 A 19 19 ASN CB C 19 40.100 42.180 -2.080 1 1 224 . 15 1 1 A 19 19 ASN N N 19 116.500 115.969 0.531 1 1 226 . 15 1 1 A 20 20 LEU H H 20 9.280 9.123 0.157 1 1 227 . 15 1 1 A 20 20 LEU HA H 20 4.930 5.235 -0.305 1 1 236 . 15 1 1 A 20 20 LEU C C 20 174.800 175.431 -0.631 1 1 237 . 15 1 1 A 20 20 LEU CA C 20 54.200 53.371 0.829 1 1 238 . 15 1 1 A 20 20 LEU CB C 20 46.300 45.449 0.851 1 1 241 . 15 1 1 A 20 20 LEU N N 20 121.800 123.301 -1.501 1 1 242 . 15 1 1 A 21 21 LYS H H 21 8.550 8.544 0.006 1 1 243 . 15 1 1 A 21 21 LYS HA H 21 5.450 5.502 -0.052 1 1 252 . 15 1 1 A 21 21 LYS C C 21 174.800 174.938 -0.138 1 1 253 . 15 1 1 A 21 21 LYS CA C 21 55.350 54.924 0.426 1 1 254 . 15 1 1 A 21 21 LYS CB C 21 34.300 35.478 -1.178 1 1 258 . 15 1 1 A 21 21 LYS N N 21 122.500 122.709 -0.209 1 1 259 . 15 1 1 A 22 22 ALA H H 22 9.090 8.402 0.688 1 1 260 . 15 1 1 A 22 22 ALA HA H 22 4.830 4.762 0.068 1 1 264 . 15 1 1 A 22 22 ALA C C 22 173.800 175.057 -1.257 1 1 265 . 15 1 1 A 22 22 ALA CA C 22 51.300 51.307 -0.007 1 1 266 . 15 1 1 A 22 22 ALA CB C 22 24.700 22.829 1.871 1 1 267 . 15 1 1 A 22 22 ALA N N 22 123.200 126.434 -3.234 1 1 268 . 15 1 1 A 23 23 LYS H H 23 9.190 8.237 0.953 1 1 269 . 15 1 1 A 23 23 LYS HA H 23 5.080 5.142 -0.062 1 1 276 . 15 1 1 A 23 23 LYS C C 23 176.900 175.505 1.395 1 1 277 . 15 1 1 A 23 23 LYS CA C 23 54.100 54.631 -0.531 1 1 278 . 15 1 1 A 23 23 LYS CB C 23 35.800 35.338 0.462 1 1 281 . 15 1 1 A 23 23 LYS N N 23 121.100 119.139 1.961 1 1 282 . 15 1 1 A 24 24 VAL H H 24 8.620 8.659 -0.039 1 1 283 . 15 1 1 A 24 24 VAL HA H 24 4.110 4.217 -0.107 1 1 291 . 15 1 1 A 24 24 VAL C C 24 175.800 176.741 -0.941 1 1 292 . 15 1 1 A 24 24 VAL CA C 24 62.750 62.973 -0.223 1 1 293 . 15 1 1 A 24 24 VAL CB C 24 30.500 31.424 -0.924 1 1 296 . 15 1 1 A 24 24 VAL N N 24 125.600 126.215 -0.615 1 1 297 . 15 1 1 A 25 25 ILE H H 25 8.430 8.949 -0.519 1 1 298 . 15 1 1 A 25 25 ILE HA H 25 4.210 4.330 -0.120 1 1 308 . 15 1 1 A 25 25 ILE C C 25 176.700 175.987 0.713 1 1 309 . 15 1 1 A 25 25 ILE CA C 25 62.100 61.804 0.296 1 1 310 . 15 1 1 A 25 25 ILE CB C 25 38.300 38.726 -0.426 1 1 314 . 15 1 1 A 25 25 ILE N N 25 127.400 124.067 3.333 1 1 315 . 15 1 1 A 26 26 GLN H H 26 7.590 7.680 -0.090 1 1 316 . 15 1 1 A 26 26 GLN HA H 26 4.560 4.889 -0.329 1 1 323 . 15 1 1 A 26 26 GLN C C 26 173.700 174.375 -0.675 1 1 324 . 15 1 1 A 26 26 GLN CA C 26 55.400 54.853 0.547 1 1 325 . 15 1 1 A 26 26 GLN CB C 26 34.100 33.029 1.071 1 1 327 . 15 1 1 A 26 26 GLN N N 26 117.100 119.360 -2.260 1 1 329 . 15 1 1 A 27 27 LEU H H 27 8.470 8.638 -0.168 1 1 330 . 15 1 1 A 27 27 LEU HA H 27 4.710 5.260 -0.550 1 1 340 . 15 1 1 A 27 27 LEU C C 27 176.200 175.256 0.944 1 1 341 . 15 1 1 A 27 27 LEU CA C 27 54.100 53.453 0.647 1 1 342 . 15 1 1 A 27 27 LEU CB C 27 44.000 46.212 -2.212 1 1 346 . 15 1 1 A 27 27 LEU N N 27 123.600 118.318 5.282 1 1 347 . 15 1 1 A 28 28 TRP H H 28 8.850 8.639 0.211 1 1 348 . 15 1 1 A 28 28 TRP HA H 28 5.180 5.113 0.067 1 1 357 . 15 1 1 A 28 28 TRP C C 28 175.900 175.164 0.736 1 1 358 . 15 1 1 A 28 28 TRP CA C 28 53.300 56.058 -2.758 1 1 359 . 15 1 1 A 28 28 TRP CB C 28 31.400 32.263 -0.863 1 1 365 . 15 1 1 A 28 28 TRP N N 28 123.900 122.274 1.626 1 1 367 . 15 1 1 A 29 29 GLU H H 29 8.620 8.349 0.271 1 1 368 . 15 1 1 A 29 29 GLU HA H 29 4.250 4.066 0.184 1 1 373 . 15 1 1 A 29 29 GLU C C 29 175.700 175.008 0.692 1 1 374 . 15 1 1 A 29 29 GLU CA C 29 56.800 56.367 0.433 1 1 375 . 15 1 1 A 29 29 GLU CB C 29 30.000 29.485 0.515 1 1 377 . 15 1 1 A 29 29 GLU N N 29 120.700 125.319 -4.619 1 1 378 . 15 1 1 A 30 30 ASN H H 30 8.720 8.409 0.311 1 1 379 . 15 1 1 A 30 30 ASN HA H 30 4.870 5.164 -0.294 1 1 384 . 15 1 1 A 30 30 ASN C C 30 174.800 174.190 0.610 1 1 385 . 15 1 1 A 30 30 ASN CA C 30 53.800 52.224 1.576 1 1 386 . 15 1 1 A 30 30 ASN CB C 30 41.200 41.885 -0.685 1 1 387 . 15 1 1 A 30 30 ASN N N 30 121.400 123.287 -1.887 1 1 389 . 15 1 1 A 31 31 THR H H 31 8.300 8.687 -0.387 1 1 390 . 15 1 1 A 31 31 THR HA H 31 4.430 4.679 -0.249 1 1 395 . 15 1 1 A 31 31 THR C C 31 174.200 173.541 0.659 1 1 396 . 15 1 1 A 31 31 THR CA C 31 61.000 59.958 1.042 1 1 397 . 15 1 1 A 31 31 THR CB C 31 69.600 68.527 1.073 1 1 399 . 15 1 1 A 31 31 THR N N 31 114.200 115.367 -1.167 1 1 400 . 15 1 1 A 32 32 HIS H H 32 7.840 8.925 -1.085 1 1 401 . 15 1 1 A 32 32 HIS HA H 32 4.560 4.838 -0.278 1 1 405 . 15 1 1 A 32 32 HIS C C 32 177.300 175.310 1.990 1 1 406 . 15 1 1 A 32 32 HIS CA C 32 57.600 55.019 2.581 1 1 407 . 15 1 1 A 32 32 HIS CB C 32 32.000 30.088 1.912 1 1 409 . 15 1 1 A 32 32 HIS N N 32 122.500 122.544 -0.044 1 1 410 . 15 1 1 A 33 33 GLU H H 33 9.020 8.217 0.803 1 1 411 . 15 1 1 A 33 33 GLU HA H 33 4.120 3.927 0.193 1 1 416 . 15 1 1 A 33 33 GLU C C 33 177.100 175.788 1.312 1 1 417 . 15 1 1 A 33 33 GLU CA C 33 59.000 57.706 1.294 1 1 418 . 15 1 1 A 33 33 GLU CB C 33 29.400 27.253 2.147 1 1 420 . 15 1 1 A 33 33 GLU N N 33 127.300 117.372 9.928 1 1 421 . 15 1 1 A 34 34 SER H H 34 9.430 7.999 1.431 1 1 422 . 15 1 1 A 34 34 SER HA H 34 4.580 4.784 -0.204 1 1 425 . 15 1 1 A 34 34 SER C C 34 174.800 173.866 0.934 1 1 426 . 15 1 1 A 34 34 SER CA C 34 59.500 59.680 -0.180 1 1 427 . 15 1 1 A 34 34 SER CB C 34 63.600 65.538 -1.938 1 1 428 . 15 1 1 A 34 34 SER N N 34 113.400 113.744 -0.344 1 1 429 . 15 1 1 A 35 35 ILE H H 35 7.920 8.085 -0.165 1 1 430 . 15 1 1 A 35 35 ILE HA H 35 4.080 4.477 -0.397 1 1 440 . 15 1 1 A 35 35 ILE C C 35 174.300 175.663 -1.363 1 1 441 . 15 1 1 A 35 35 ILE CA C 35 61.600 60.126 1.474 1 1 442 . 15 1 1 A 35 35 ILE CB C 35 40.700 39.502 1.198 1 1 446 . 15 1 1 A 35 35 ILE N N 35 125.800 119.931 5.869 1 1 447 . 15 1 1 A 36 36 SER H H 36 9.010 8.830 0.180 1 1 448 . 15 1 1 A 36 36 SER HA H 36 4.480 4.462 0.018 1 1 451 . 15 1 1 A 36 36 SER C C 36 174.900 174.208 0.692 1 1 452 . 15 1 1 A 36 36 SER CA C 36 58.800 60.545 -1.745 1 1 453 . 15 1 1 A 36 36 SER CB C 36 64.300 63.632 0.668 1 1 454 . 15 1 1 A 36 36 SER N N 36 119.100 120.408 -1.308 1 1 455 . 15 1 1 A 37 37 GLN H H 37 7.390 7.654 -0.264 1 1 456 . 15 1 1 A 37 37 GLN HA H 37 4.690 4.677 0.013 1 1 463 . 15 1 1 A 37 37 GLN C C 37 171.800 173.351 -1.551 1 1 464 . 15 1 1 A 37 37 GLN CA C 37 54.900 55.132 -0.232 1 1 465 . 15 1 1 A 37 37 GLN CB C 37 36.200 32.197 4.003 1 1 466 . 15 1 1 A 37 37 GLN N N 37 116.500 116.170 0.330 1 1 468 . 15 1 1 A 38 38 VAL H H 38 8.640 8.403 0.237 1 1 469 . 15 1 1 A 38 38 VAL HA H 38 4.160 4.624 -0.464 1 1 477 . 15 1 1 A 38 38 VAL C C 38 172.400 175.571 -3.171 1 1 478 . 15 1 1 A 38 38 VAL CA C 38 58.500 60.534 -2.034 1 1 479 . 15 1 1 A 38 38 VAL CB C 38 35.300 34.770 0.530 1 1 482 . 15 1 1 A 38 38 VAL N N 38 120.400 123.909 -3.509 1 1 483 . 15 1 1 A 39 39 GLY H H 39 6.440 7.396 -0.956 1 1 484 . 15 1 1 A 39 39 GLY HA2 H 39 3.690 4.341 -0.651 1 1 485 . 15 1 1 A 39 39 GLY HA3 H 39 1.940 4.347 -2.407 1 1 486 . 15 1 1 A 39 39 GLY C C 39 170.600 171.924 -1.324 1 1 487 . 15 1 1 A 39 39 GLY CA C 39 45.300 45.794 -0.494 1 1 488 . 15 1 1 A 39 39 GLY N N 39 109.600 112.290 -2.690 1 1 489 . 15 1 1 A 40 40 LEU H H 40 8.380 8.405 -0.025 1 1 490 . 15 1 1 A 40 40 LEU HA H 40 4.980 5.608 -0.628 1 1 499 . 15 1 1 A 40 40 LEU C C 40 176.000 175.578 0.422 1 1 500 . 15 1 1 A 40 40 LEU CA C 40 53.200 53.517 -0.317 1 1 501 . 15 1 1 A 40 40 LEU CB C 40 47.400 45.891 1.509 1 1 504 . 15 1 1 A 40 40 LEU N N 40 119.500 122.022 -2.522 1 1 505 . 15 1 1 A 41 41 LEU H H 41 9.410 9.155 0.255 1 1 506 . 15 1 1 A 41 41 LEU HA H 41 5.320 4.992 0.328 1 1 516 . 15 1 1 A 41 41 LEU C C 41 176.700 175.649 1.051 1 1 517 . 15 1 1 A 41 41 LEU CA C 41 52.400 52.948 -0.548 1 1 518 . 15 1 1 A 41 41 LEU CB C 41 44.900 43.758 1.142 1 1 522 . 15 1 1 A 41 41 LEU N N 41 122.700 122.474 0.226 1 1 523 . 15 1 1 A 42 42 GLY H H 42 9.210 9.892 -0.682 1 1 524 . 15 1 1 A 42 42 GLY HA2 H 42 3.550 4.057 -0.507 1 1 525 . 15 1 1 A 42 42 GLY HA3 H 42 5.350 4.060 1.290 1 1 526 . 15 1 1 A 42 42 GLY C C 42 171.200 172.014 -0.814 1 1 527 . 15 1 1 A 42 42 GLY CA C 42 45.700 45.634 0.066 1 1 528 . 15 1 1 A 42 42 GLY N N 42 104.600 112.577 -7.977 1 1 529 . 15 1 1 A 43 43 ASP H H 43 8.960 8.707 0.253 1 1 530 . 15 1 1 A 43 43 ASP HA H 43 4.640 5.070 -0.430 1 1 533 . 15 1 1 A 43 43 ASP C C 43 175.600 176.666 -1.066 1 1 534 . 15 1 1 A 43 43 ASP CA C 43 52.700 53.036 -0.336 1 1 535 . 15 1 1 A 43 43 ASP CB C 43 41.600 43.078 -1.478 1 1 536 . 15 1 1 A 43 43 ASP N N 43 121.900 125.748 -3.848 1 1 537 . 15 1 1 A 44 44 GLU H H 44 10.150 8.934 1.216 1 1 538 . 15 1 1 A 44 44 GLU HA H 44 4.380 4.131 0.249 1 1 543 . 15 1 1 A 44 44 GLU C C 44 176.900 177.262 -0.362 1 1 544 . 15 1 1 A 44 44 GLU CA C 44 59.300 58.983 0.317 1 1 545 . 15 1 1 A 44 44 GLU CB C 44 28.100 29.150 -1.050 1 1 547 . 15 1 1 A 44 44 GLU N N 44 118.000 124.371 -6.371 1 1 548 . 15 1 1 A 45 45 THR H H 45 9.600 7.711 1.889 1 1 549 . 15 1 1 A 45 45 THR HA H 45 4.580 4.508 0.072 1 1 554 . 15 1 1 A 45 45 THR C C 45 174.800 173.873 0.927 1 1 555 . 15 1 1 A 45 45 THR CA C 45 61.700 62.030 -0.330 1 1 556 . 15 1 1 A 45 45 THR CB C 45 70.000 69.564 0.436 1 1 558 . 15 1 1 A 45 45 THR N N 45 112.000 108.185 3.815 1 1 559 . 15 1 1 A 46 46 GLY H H 46 7.640 7.350 0.290 1 1 560 . 15 1 1 A 46 46 GLY HA2 H 46 3.830 4.119 -0.289 1 1 561 . 15 1 1 A 46 46 GLY HA3 H 46 4.000 4.119 -0.119 1 1 562 . 15 1 1 A 46 46 GLY C C 46 169.400 171.442 -2.042 1 1 563 . 15 1 1 A 46 46 GLY CA C 46 46.000 45.235 0.765 1 1 564 . 15 1 1 A 46 46 GLY N N 46 110.600 107.841 2.759 1 1 565 . 15 1 1 A 47 47 ILE H H 47 8.000 8.495 -0.495 1 1 566 . 15 1 1 A 47 47 ILE HA H 47 5.450 5.351 0.099 1 1 576 . 15 1 1 A 47 47 ILE C C 47 175.200 174.172 1.028 1 1 577 . 15 1 1 A 47 47 ILE CA C 47 59.100 58.672 0.428 1 1 578 . 15 1 1 A 47 47 ILE CB C 47 42.400 42.485 -0.085 1 1 582 . 15 1 1 A 47 47 ILE N N 47 113.900 118.762 -4.862 1 1 583 . 15 1 1 A 48 48 ILE H H 48 9.340 8.358 0.982 1 1 584 . 15 1 1 A 48 48 ILE HA H 48 4.640 4.777 -0.137 1 1 594 . 15 1 1 A 48 48 ILE C C 48 171.500 173.014 -1.514 1 1 595 . 15 1 1 A 48 48 ILE CA C 48 60.600 59.170 1.430 1 1 596 . 15 1 1 A 48 48 ILE CB C 48 42.000 41.677 0.323 1 1 600 . 15 1 1 A 48 48 ILE N N 48 123.600 121.874 1.726 1 1 601 . 15 1 1 A 49 49 LYS H H 49 8.350 8.813 -0.463 1 1 602 . 15 1 1 A 49 49 LYS HA H 49 4.820 4.987 -0.167 1 1 611 . 15 1 1 A 49 49 LYS C C 49 174.700 176.254 -1.554 1 1 612 . 15 1 1 A 49 49 LYS CA C 49 56.400 55.046 1.354 1 1 613 . 15 1 1 A 49 49 LYS CB C 49 33.800 33.983 -0.183 1 1 617 . 15 1 1 A 49 49 LYS N N 49 129.100 129.213 -0.113 1 1 618 . 15 1 1 A 50 50 PHE H H 50 8.570 8.841 -0.271 1 1 619 . 15 1 1 A 50 50 PHE HA H 50 5.820 5.681 0.139 1 1 627 . 15 1 1 A 50 50 PHE C C 50 172.100 173.507 -1.407 1 1 628 . 15 1 1 A 50 50 PHE CA C 50 54.800 55.106 -0.306 1 1 629 . 15 1 1 A 50 50 PHE CB C 50 43.900 41.962 1.938 1 1 635 . 15 1 1 A 50 50 PHE N N 50 122.700 122.489 0.211 1 1 636 . 15 1 1 A 51 51 THR H H 51 8.190 8.551 -0.361 1 1 637 . 15 1 1 A 51 51 THR HA H 51 4.320 4.641 -0.321 1 1 642 . 15 1 1 A 51 51 THR C C 51 172.900 172.874 0.026 1 1 643 . 15 1 1 A 51 51 THR CA C 51 61.700 61.166 0.534 1 1 644 . 15 1 1 A 51 51 THR CB C 51 72.500 71.231 1.269 1 1 646 . 15 1 1 A 51 51 THR N N 51 114.400 114.163 0.237 1 1 647 . 15 1 1 A 52 52 ILE H H 52 8.880 8.666 0.214 1 1 648 . 15 1 1 A 52 52 ILE HA H 52 4.650 4.609 0.041 1 1 658 . 15 1 1 A 52 52 ILE C C 52 176.000 175.172 0.828 1 1 659 . 15 1 1 A 52 52 ILE CA C 52 60.500 60.231 0.269 1 1 660 . 15 1 1 A 52 52 ILE CB C 52 38.900 39.408 -0.508 1 1 664 . 15 1 1 A 52 52 ILE N N 52 123.400 126.954 -3.554 1 1 665 . 15 1 1 A 53 53 TRP H H 53 8.020 8.595 -0.575 1 1 666 . 15 1 1 A 53 53 TRP HA H 53 4.740 4.805 -0.065 1 1 675 . 15 1 1 A 53 53 TRP C C 53 177.500 177.419 0.081 1 1 676 . 15 1 1 A 53 53 TRP CA C 53 57.700 57.567 0.133 1 1 677 . 15 1 1 A 53 53 TRP CB C 53 30.400 30.194 0.206 1 1 683 . 15 1 1 A 53 53 TRP N N 53 129.500 128.555 0.945 1 1 685 . 15 1 1 A 54 54 LYS H H 54 8.980 8.635 0.345 1 1 686 . 15 1 1 A 54 54 LYS HA H 54 4.100 4.263 -0.163 1 1 695 . 15 1 1 A 54 54 LYS C C 54 177.700 178.378 -0.678 1 1 696 . 15 1 1 A 54 54 LYS CA C 54 59.400 60.211 -0.811 1 1 697 . 15 1 1 A 54 54 LYS CB C 54 32.400 32.240 0.160 1 1 701 . 15 1 1 A 54 54 LYS N N 54 125.500 124.700 0.800 1 1 702 . 15 1 1 A 55 55 ASN H H 55 8.600 8.274 0.326 1 1 703 . 15 1 1 A 55 55 ASN HA H 55 4.510 4.656 -0.146 1 1 708 . 15 1 1 A 55 55 ASN C C 55 175.300 176.858 -1.558 1 1 709 . 15 1 1 A 55 55 ASN CA C 55 53.700 55.133 -1.433 1 1 710 . 15 1 1 A 55 55 ASN CB C 55 37.100 38.183 -1.083 1 1 711 . 15 1 1 A 55 55 ASN N N 55 115.400 117.734 -2.334 1 1 713 . 15 1 1 A 56 56 ALA H H 56 7.630 7.934 -0.304 1 1 714 . 15 1 1 A 56 56 ALA HA H 56 3.970 4.380 -0.410 1 1 718 . 15 1 1 A 56 56 ALA C C 56 176.100 176.959 -0.859 1 1 719 . 15 1 1 A 56 56 ALA CA C 56 53.500 52.725 0.775 1 1 720 . 15 1 1 A 56 56 ALA CB C 56 18.400 19.678 -1.278 1 1 721 . 15 1 1 A 56 56 ALA N N 56 121.200 120.714 0.486 1 1 722 . 15 1 1 A 57 57 GLU H H 57 7.880 8.217 -0.337 1 1 723 . 15 1 1 A 57 57 GLU HA H 57 3.940 3.862 0.078 1 1 728 . 15 1 1 A 57 57 GLU C C 57 175.400 174.868 0.532 1 1 729 . 15 1 1 A 57 57 GLU CA C 57 56.700 57.421 -0.721 1 1 730 . 15 1 1 A 57 57 GLU CB C 57 27.300 26.998 0.302 1 1 732 . 15 1 1 A 57 57 GLU N N 57 112.500 115.119 -2.619 1 1 733 . 15 1 1 A 58 58 LEU H H 58 7.910 7.807 0.103 1 1 734 . 15 1 1 A 58 58 LEU HA H 58 4.740 4.835 -0.095 1 1 744 . 15 1 1 A 58 58 LEU C C 58 175.400 174.757 0.643 1 1 745 . 15 1 1 A 58 58 LEU CA C 58 52.300 51.537 0.763 1 1 746 . 15 1 1 A 58 58 LEU CB C 58 42.900 43.573 -0.673 1 1 750 . 15 1 1 A 58 58 LEU N N 58 120.000 119.976 0.024 1 1 751 . 15 1 1 A 59 59 PRO HA H 59 4.380 4.559 -0.179 1 1 758 . 15 1 1 A 59 59 PRO CA C 59 62.200 62.568 -0.368 1 1 759 . 15 1 1 A 59 59 PRO CB C 59 32.000 32.028 -0.028 1 1 762 . 15 1 1 A 60 60 LEU H H 60 7.860 8.316 -0.456 1 1 763 . 15 1 1 A 60 60 LEU HA H 60 3.920 4.462 -0.542 1 1 773 . 15 1 1 A 60 60 LEU C C 60 178.300 177.457 0.843 1 1 774 . 15 1 1 A 60 60 LEU CA C 60 55.000 54.674 0.326 1 1 775 . 15 1 1 A 60 60 LEU CB C 60 41.800 42.376 -0.576 1 1 779 . 15 1 1 A 60 60 LEU N N 60 117.500 123.396 -5.896 1 1 780 . 15 1 1 A 61 61 LEU H H 61 9.680 8.378 1.302 1 1 781 . 15 1 1 A 61 61 LEU HA H 61 4.040 4.125 -0.085 1 1 791 . 15 1 1 A 61 61 LEU C C 61 177.300 176.248 1.052 1 1 792 . 15 1 1 A 61 61 LEU CA C 61 54.100 53.983 0.117 1 1 793 . 15 1 1 A 61 61 LEU CB C 61 41.300 42.038 -0.738 1 1 797 . 15 1 1 A 61 61 LEU N N 61 122.300 123.522 -1.222 1 1 798 . 15 1 1 A 62 62 GLU H H 62 8.390 9.628 -1.238 1 1 799 . 15 1 1 A 62 62 GLU HA H 62 4.430 4.937 -0.507 1 1 804 . 15 1 1 A 62 62 GLU C C 62 175.600 176.688 -1.088 1 1 805 . 15 1 1 A 62 62 GLU CA C 62 54.800 55.033 -0.233 1 1 806 . 15 1 1 A 62 62 GLU CB C 62 32.200 31.878 0.322 1 1 808 . 15 1 1 A 62 62 GLU N N 62 120.500 122.358 -1.858 1 1 809 . 15 1 1 A 63 63 GLN H H 63 8.780 8.754 0.026 1 1 810 . 15 1 1 A 63 63 GLN HA H 63 3.700 4.026 -0.326 1 1 817 . 15 1 1 A 63 63 GLN C C 63 176.600 176.832 -0.232 1 1 818 . 15 1 1 A 63 63 GLN CA C 63 58.100 57.654 0.446 1 1 819 . 15 1 1 A 63 63 GLN CB C 63 28.300 28.474 -0.174 1 1 821 . 15 1 1 A 63 63 GLN N N 63 123.300 125.290 -1.990 1 1 823 . 15 1 1 A 64 64 GLY H H 64 9.140 8.742 0.398 1 1 824 . 15 1 1 A 64 64 GLY HA2 H 64 3.580 4.025 -0.445 1 1 825 . 15 1 1 A 64 64 GLY HA3 H 64 4.390 4.026 0.364 1 1 826 . 15 1 1 A 64 64 GLY C C 64 173.900 174.301 -0.401 1 1 827 . 15 1 1 A 64 64 GLY CA C 64 45.300 44.971 0.329 1 1 828 . 15 1 1 A 64 64 GLY N N 64 115.100 114.948 0.152 1 1 829 . 15 1 1 A 65 65 GLU H H 65 7.590 7.640 -0.050 1 1 830 . 15 1 1 A 65 65 GLU HA H 65 4.490 4.667 -0.177 1 1 835 . 15 1 1 A 65 65 GLU C C 65 174.200 176.259 -2.059 1 1 836 . 15 1 1 A 65 65 GLU CA C 65 54.900 54.843 0.057 1 1 837 . 15 1 1 A 65 65 GLU CB C 65 30.500 31.350 -0.850 1 1 839 . 15 1 1 A 65 65 GLU N N 65 120.300 120.576 -0.276 1 1 840 . 15 1 1 A 66 66 SER H H 66 8.700 8.572 0.128 1 1 841 . 15 1 1 A 66 66 SER HA H 66 5.330 4.889 0.441 1 1 844 . 15 1 1 A 66 66 SER C C 66 174.100 173.113 0.987 1 1 845 . 15 1 1 A 66 66 SER CA C 66 58.300 58.045 0.255 1 1 846 . 15 1 1 A 66 66 SER CB C 66 65.500 64.479 1.021 1 1 847 . 15 1 1 A 66 66 SER N N 66 116.500 118.379 -1.879 1 1 848 . 15 1 1 A 67 67 TYR H H 67 9.090 9.055 0.035 1 1 849 . 15 1 1 A 67 67 TYR HA H 67 5.110 5.024 0.086 1 1 856 . 15 1 1 A 67 67 TYR C C 67 173.900 174.279 -0.379 1 1 857 . 15 1 1 A 67 67 TYR CA C 67 57.500 56.217 1.283 1 1 858 . 15 1 1 A 67 67 TYR CB C 67 43.900 43.042 0.858 1 1 863 . 15 1 1 A 67 67 TYR N N 67 119.000 121.668 -2.668 1 1 864 . 15 1 1 A 68 68 LEU H H 68 9.230 9.430 -0.200 1 1 865 . 15 1 1 A 68 68 LEU HA H 68 5.000 5.258 -0.258 1 1 875 . 15 1 1 A 68 68 LEU C C 68 175.300 174.571 0.729 1 1 876 . 15 1 1 A 68 68 LEU CA C 68 54.300 53.608 0.692 1 1 877 . 15 1 1 A 68 68 LEU CB C 68 43.800 45.250 -1.450 1 1 881 . 15 1 1 A 68 68 LEU N N 68 121.800 124.660 -2.860 1 1 882 . 15 1 1 A 69 69 LEU H H 69 9.460 9.481 -0.021 1 1 883 . 15 1 1 A 69 69 LEU HA H 69 5.010 5.237 -0.227 1 1 893 . 15 1 1 A 69 69 LEU C C 69 175.000 175.597 -0.597 1 1 894 . 15 1 1 A 69 69 LEU CA C 69 54.100 53.308 0.792 1 1 895 . 15 1 1 A 69 69 LEU CB C 69 42.300 43.606 -1.306 1 1 899 . 15 1 1 A 69 69 LEU N N 69 128.500 128.210 0.290 1 1 900 . 15 1 1 A 70 70 ARG H H 70 8.910 8.682 0.228 1 1 901 . 15 1 1 A 70 70 ARG HA H 70 4.850 5.110 -0.260 1 1 909 . 15 1 1 A 70 70 ARG C C 70 176.400 175.702 0.698 1 1 910 . 15 1 1 A 70 70 ARG CA C 70 54.900 54.412 0.488 1 1 911 . 15 1 1 A 70 70 ARG CB C 70 32.300 33.440 -1.140 1 1 914 . 15 1 1 A 70 70 ARG N N 70 121.500 123.666 -2.166 1 1 916 . 15 1 1 A 71 71 SER H H 71 8.800 8.656 0.144 1 1 917 . 15 1 1 A 71 71 SER HA H 71 3.870 4.134 -0.264 1 1 920 . 15 1 1 A 71 71 SER C C 71 175.800 173.343 2.457 1 1 921 . 15 1 1 A 71 71 SER CA C 71 58.600 59.087 -0.487 1 1 922 . 15 1 1 A 71 71 SER CB C 71 62.000 61.619 0.381 1 1 923 . 15 1 1 A 71 71 SER N N 71 114.400 113.209 1.191 1 1 924 . 15 1 1 A 72 72 VAL H H 72 8.750 7.623 1.127 1 1 925 . 15 1 1 A 72 72 VAL HA H 72 4.610 5.220 -0.610 1 1 933 . 15 1 1 A 72 72 VAL C C 72 173.300 173.967 -0.667 1 1 934 . 15 1 1 A 72 72 VAL CA C 72 59.300 59.477 -0.177 1 1 935 . 15 1 1 A 72 72 VAL CB C 72 31.900 34.710 -2.810 1 1 938 . 15 1 1 A 72 72 VAL N N 72 115.500 115.446 0.054 1 1 939 . 15 1 1 A 73 73 VAL H H 73 7.940 8.347 -0.407 1 1 940 . 15 1 1 A 73 73 VAL HA H 73 4.760 4.632 0.128 1 1 948 . 15 1 1 A 73 73 VAL C C 73 174.300 173.568 0.732 1 1 949 . 15 1 1 A 73 73 VAL CA C 73 58.800 59.180 -0.380 1 1 950 . 15 1 1 A 73 73 VAL CB C 73 34.500 34.746 -0.246 1 1 953 . 15 1 1 A 73 73 VAL N N 73 118.200 121.105 -2.905 1 1 954 . 15 1 1 A 74 74 VAL H H 74 8.430 8.147 0.283 1 1 955 . 15 1 1 A 74 74 VAL HA H 74 4.560 4.545 0.015 1 1 963 . 15 1 1 A 74 74 VAL C C 74 177.300 175.718 1.582 1 1 964 . 15 1 1 A 74 74 VAL CA C 74 62.100 61.059 1.041 1 1 965 . 15 1 1 A 74 74 VAL CB C 74 32.700 32.369 0.331 1 1 968 . 15 1 1 A 74 74 VAL N N 74 127.800 126.867 0.933 1 1 969 . 15 1 1 A 75 75 GLY H H 75 9.040 9.483 -0.443 1 1 970 . 15 1 1 A 75 75 GLY HA2 H 75 3.750 4.282 -0.532 1 1 971 . 15 1 1 A 75 75 GLY HA3 H 75 5.120 4.318 0.802 1 1 972 . 15 1 1 A 75 75 GLY C C 75 172.500 171.963 0.537 1 1 973 . 15 1 1 A 75 75 GLY CA C 75 43.700 44.090 -0.390 1 1 974 . 15 1 1 A 75 75 GLY N N 75 116.000 115.681 0.319 1 1 975 . 15 1 1 A 76 76 GLU H H 76 8.380 8.587 -0.207 1 1 976 . 15 1 1 A 76 76 GLU HA H 76 4.690 4.498 0.192 1 1 981 . 15 1 1 A 76 76 GLU C C 76 176.000 174.844 1.156 1 1 982 . 15 1 1 A 76 76 GLU CA C 76 56.100 55.349 0.751 1 1 983 . 15 1 1 A 76 76 GLU CB C 76 32.000 30.351 1.649 1 1 985 . 15 1 1 A 76 76 GLU N N 76 120.200 122.596 -2.396 1 1 986 . 15 1 1 A 77 77 TYR H H 77 8.430 8.552 -0.122 1 1 987 . 15 1 1 A 77 77 TYR HA H 77 4.570 4.901 -0.331 1 1 994 . 15 1 1 A 77 77 TYR C C 77 174.200 175.179 -0.979 1 1 995 . 15 1 1 A 77 77 TYR CA C 77 56.500 56.891 -0.391 1 1 996 . 15 1 1 A 77 77 TYR CB C 77 39.800 39.041 0.759 1 1 1001 . 15 1 1 A 77 77 TYR N N 77 124.400 129.681 -5.281 1 1 1002 . 15 1 1 A 78 78 ASN H H 78 9.100 8.745 0.355 1 1 1003 . 15 1 1 A 78 78 ASN HA H 78 4.000 4.176 -0.176 1 1 1008 . 15 1 1 A 78 78 ASN C C 78 177.300 175.015 2.285 1 1 1009 . 15 1 1 A 78 78 ASN CA C 78 54.700 55.163 -0.463 1 1 1010 . 15 1 1 A 78 78 ASN CB C 78 36.600 37.286 -0.686 1 1 1011 . 15 1 1 A 78 78 ASN N N 78 125.800 123.325 2.475 1 1 1013 . 15 1 1 A 79 79 ASP H H 79 8.640 8.785 -0.145 1 1 1014 . 15 1 1 A 79 79 ASP HA H 79 4.240 4.524 -0.284 1 1 1017 . 15 1 1 A 79 79 ASP C C 79 174.600 175.860 -1.260 1 1 1018 . 15 1 1 A 79 79 ASP CA C 79 54.900 55.153 -0.253 1 1 1019 . 15 1 1 A 79 79 ASP CB C 79 39.700 41.992 -2.292 1 1 1020 . 15 1 1 A 79 79 ASP N N 79 115.700 125.443 -9.743 1 1 1021 . 15 1 1 A 80 80 ARG H H 80 7.880 7.773 0.107 1 1 1022 . 15 1 1 A 80 80 ARG HA H 80 4.370 4.688 -0.318 1 1 1030 . 15 1 1 A 80 80 ARG C C 80 175.000 175.164 -0.164 1 1 1031 . 15 1 1 A 80 80 ARG CA C 80 54.200 54.524 -0.324 1 1 1032 . 15 1 1 A 80 80 ARG CB C 80 31.800 31.759 0.041 1 1 1035 . 15 1 1 A 80 80 ARG N N 80 119.700 118.519 1.181 1 1 1037 . 15 1 1 A 81 81 PHE H H 81 8.410 8.979 -0.569 1 1 1038 . 15 1 1 A 81 81 PHE HA H 81 5.420 5.202 0.218 1 1 1046 . 15 1 1 A 81 81 PHE C C 81 174.400 175.053 -0.653 1 1 1047 . 15 1 1 A 81 81 PHE CA C 81 57.200 56.948 0.252 1 1 1048 . 15 1 1 A 81 81 PHE CB C 81 42.000 41.996 0.004 1 1 1054 . 15 1 1 A 81 81 PHE N N 81 120.700 118.579 2.121 1 1 1055 . 15 1 1 A 82 82 GLN H H 82 8.950 8.724 0.226 1 1 1056 . 15 1 1 A 82 82 GLN HA H 82 5.110 5.166 -0.056 1 1 1063 . 15 1 1 A 82 82 GLN C C 82 172.400 174.442 -2.042 1 1 1064 . 15 1 1 A 82 82 GLN CA C 82 53.500 54.348 -0.848 1 1 1065 . 15 1 1 A 82 82 GLN CB C 82 31.900 33.462 -1.562 1 1 1067 . 15 1 1 A 82 82 GLN N N 82 115.000 119.623 -4.623 1 1 1069 . 15 1 1 A 83 83 VAL H H 83 9.090 8.285 0.805 1 1 1070 . 15 1 1 A 83 83 VAL HA H 83 4.380 4.739 -0.359 1 1 1078 . 15 1 1 A 83 83 VAL C C 83 174.600 174.836 -0.236 1 1 1079 . 15 1 1 A 83 83 VAL CA C 83 61.600 61.712 -0.112 1 1 1080 . 15 1 1 A 83 83 VAL CB C 83 33.500 33.256 0.244 1 1 1083 . 15 1 1 A 83 83 VAL N N 83 118.900 121.442 -2.542 1 1 1084 . 15 1 1 A 84 84 GLN H H 84 9.280 8.752 0.528 1 1 1085 . 15 1 1 A 84 84 GLN HA H 84 5.020 4.943 0.077 1 1 1092 . 15 1 1 A 84 84 GLN C C 84 174.500 174.692 -0.192 1 1 1093 . 15 1 1 A 84 84 GLN CA C 84 54.400 54.903 -0.503 1 1 1094 . 15 1 1 A 84 84 GLN CB C 84 29.900 30.381 -0.481 1 1 1096 . 15 1 1 A 84 84 GLN N N 84 124.800 127.245 -2.445 1 1 1098 . 15 1 1 A 85 85 VAL H H 85 8.680 8.736 -0.056 1 1 1099 . 15 1 1 A 85 85 VAL HA H 85 4.300 4.804 -0.504 1 1 1107 . 15 1 1 A 85 85 VAL C C 85 174.500 175.099 -0.599 1 1 1108 . 15 1 1 A 85 85 VAL CA C 85 61.700 61.395 0.305 1 1 1109 . 15 1 1 A 85 85 VAL CB C 85 31.700 33.107 -1.407 1 1 1112 . 15 1 1 A 85 85 VAL N N 85 125.500 125.646 -0.146 1 1 1113 . 15 1 1 A 86 86 ASN H H 86 8.740 8.316 0.424 1 1 1114 . 15 1 1 A 86 86 ASN HA H 86 5.240 5.325 -0.085 1 1 1119 . 15 1 1 A 86 86 ASN C C 86 175.300 176.131 -0.831 1 1 1120 . 15 1 1 A 86 86 ASN CA C 86 51.800 51.392 0.408 1 1 1121 . 15 1 1 A 86 86 ASN CB C 86 42.400 40.189 2.211 1 1 1122 . 15 1 1 A 86 86 ASN N N 86 124.000 124.657 -0.657 1 1 1124 . 15 1 1 A 87 87 LYS H H 87 8.530 8.774 -0.244 1 1 1125 . 15 1 1 A 87 87 LYS HA H 87 4.210 3.991 0.219 1 1 1134 . 15 1 1 A 87 87 LYS C C 87 176.700 178.379 -1.679 1 1 1135 . 15 1 1 A 87 87 LYS CA C 87 59.000 59.938 -0.938 1 1 1136 . 15 1 1 A 87 87 LYS CB C 87 32.400 32.365 0.035 1 1 1140 . 15 1 1 A 87 87 LYS N N 87 117.600 118.236 -0.636 1 1 1141 . 15 1 1 A 88 88 ASN H H 88 8.600 8.071 0.529 1 1 1142 . 15 1 1 A 88 88 ASN HA H 88 4.810 4.611 0.199 1 1 1147 . 15 1 1 A 88 88 ASN C C 88 175.600 176.269 -0.669 1 1 1148 . 15 1 1 A 88 88 ASN CA C 88 54.100 55.487 -1.387 1 1 1149 . 15 1 1 A 88 88 ASN CB C 88 39.100 38.361 0.739 1 1 1150 . 15 1 1 A 88 88 ASN N N 88 115.500 117.055 -1.555 1 1 1152 . 15 1 1 A 89 89 SER H H 89 8.150 7.955 0.195 1 1 1153 . 15 1 1 A 89 89 SER HA H 89 5.120 4.974 0.146 1 1 1156 . 15 1 1 A 89 89 SER C C 89 172.400 173.390 -0.990 1 1 1157 . 15 1 1 A 89 89 SER CA C 89 58.100 58.623 -0.523 1 1 1158 . 15 1 1 A 89 89 SER CB C 89 64.000 64.852 -0.852 1 1 1159 . 15 1 1 A 89 89 SER N N 89 117.500 116.118 1.382 1 1 1160 . 15 1 1 A 90 90 SER H H 90 8.200 8.683 -0.483 1 1 1161 . 15 1 1 A 90 90 SER HA H 90 4.680 5.369 -0.689 1 1 1164 . 15 1 1 A 90 90 SER C C 90 172.400 173.000 -0.600 1 1 1165 . 15 1 1 A 90 90 SER CA C 90 57.700 57.317 0.383 1 1 1166 . 15 1 1 A 90 90 SER CB C 90 65.700 66.628 -0.928 1 1 1167 . 15 1 1 A 90 90 SER N N 90 113.200 117.053 -3.853 1 1 1168 . 15 1 1 A 91 91 ILE H H 91 8.640 8.768 -0.128 1 1 1169 . 15 1 1 A 91 91 ILE HA H 91 5.030 5.176 -0.146 1 1 1179 . 15 1 1 A 91 91 ILE C C 91 175.300 174.428 0.872 1 1 1180 . 15 1 1 A 91 91 ILE CA C 91 60.200 60.346 -0.146 1 1 1181 . 15 1 1 A 91 91 ILE CB C 91 42.200 41.533 0.667 1 1 1185 . 15 1 1 A 91 91 ILE N N 91 119.700 122.288 -2.588 1 1 1186 . 15 1 1 A 92 92 GLU H H 92 8.810 9.488 -0.678 1 1 1187 . 15 1 1 A 92 92 GLU HA H 92 4.710 5.230 -0.520 1 1 1192 . 15 1 1 A 92 92 GLU C C 92 174.700 175.117 -0.417 1 1 1193 . 15 1 1 A 92 92 GLU CA C 92 54.600 54.542 0.058 1 1 1194 . 15 1 1 A 92 92 GLU CB C 92 33.300 33.417 -0.117 1 1 1196 . 15 1 1 A 92 92 GLU N N 92 125.900 128.533 -2.633 1 1 1197 . 15 1 1 A 93 93 LYS H H 93 9.080 8.429 0.651 1 1 1198 . 15 1 1 A 93 93 LYS HA H 93 4.100 4.309 -0.209 1 1 1207 . 15 1 1 A 93 93 LYS C C 93 176.400 176.322 0.078 1 1 1208 . 15 1 1 A 93 93 LYS CA C 93 57.500 56.208 1.292 1 1 1209 . 15 1 1 A 93 93 LYS CB C 93 32.900 33.292 -0.392 1 1 1213 . 15 1 1 A 93 93 LYS N N 93 127.600 127.836 -0.236 1 1 1214 . 15 1 1 A 94 94 LEU H H 94 8.410 8.147 0.263 1 1 1215 . 15 1 1 A 94 94 LEU HA H 94 4.480 4.636 -0.156 1 1 1224 . 15 1 1 A 94 94 LEU C C 94 177.300 177.259 0.041 1 1 1225 . 15 1 1 A 94 94 LEU CA C 94 53.900 53.544 0.356 1 1 1226 . 15 1 1 A 94 94 LEU CB C 94 42.900 44.297 -1.397 1 1 1230 . 15 1 1 A 94 94 LEU N N 94 127.300 127.120 0.180 1 1 1231 . 15 1 1 A 95 95 SER H H 95 8.630 8.732 -0.102 1 1 1232 . 15 1 1 A 95 95 SER HA H 95 4.350 4.452 -0.102 1 1 1235 . 15 1 1 A 95 95 SER C C 95 173.800 174.033 -0.233 1 1 1236 . 15 1 1 A 95 95 SER CA C 95 58.900 58.953 -0.053 1 1 1237 . 15 1 1 A 95 95 SER CB C 95 63.400 63.971 -0.571 1 1 1238 . 15 1 1 A 95 95 SER N N 95 115.700 119.994 -4.294 1 1 1239 . 15 1 1 A 96 96 GLU H H 96 7.230 7.659 -0.429 1 1 1240 . 15 1 1 A 96 96 GLU HA H 96 4.750 4.639 0.111 1 1 1245 . 15 1 1 A 96 96 GLU CA C 96 53.000 52.576 0.424 1 1 1246 . 15 1 1 A 96 96 GLU CB C 96 30.700 30.923 -0.223 1 1 1248 . 15 1 1 A 96 96 GLU N N 96 121.600 120.951 0.649 1 1 1249 . 15 1 1 A 97 97 PRO HA H 97 4.250 4.705 -0.455 1 1 1256 . 15 1 1 A 97 97 PRO CA C 97 62.400 62.428 -0.028 1 1 1257 . 15 1 1 A 97 97 PRO CB C 97 32.600 32.656 -0.056 1 1 1260 . 15 1 1 A 98 98 ILE H H 98 7.920 8.442 -0.522 1 1 1261 . 15 1 1 A 98 98 ILE HA H 98 4.070 4.766 -0.696 1 1 1271 . 15 1 1 A 98 98 ILE C C 98 175.400 174.656 0.744 1 1 1272 . 15 1 1 A 98 98 ILE CA C 98 59.300 59.558 -0.258 1 1 1273 . 15 1 1 A 98 98 ILE CB C 98 38.300 40.245 -1.945 1 1 1277 . 15 1 1 A 98 98 ILE N N 98 122.700 121.102 1.598 1 1 1278 . 15 1 1 A 99 99 GLU H H 99 8.550 8.780 -0.230 1 1 1279 . 15 1 1 A 99 99 GLU HA H 99 4.260 4.507 -0.247 1 1 1284 . 15 1 1 A 99 99 GLU C C 99 175.100 176.220 -1.120 1 1 1285 . 15 1 1 A 99 99 GLU CA C 99 55.500 56.375 -0.875 1 1 1286 . 15 1 1 A 99 99 GLU CB C 99 30.000 29.845 0.155 1 1 1288 . 15 1 1 A 99 99 GLU N N 99 127.900 127.372 0.528 1 1 1289 . 15 1 1 A 100 100 VAL H H 100 7.970 8.643 -0.673 1 1 1290 . 15 1 1 A 100 100 VAL HA H 100 3.980 4.370 -0.390 1 1 1298 . 15 1 1 A 100 100 VAL C C 100 176.700 176.285 0.415 1 1 1299 . 15 1 1 A 100 100 VAL CA C 100 61.000 62.595 -1.595 1 1 1300 . 15 1 1 A 100 100 VAL CB C 100 33.000 32.837 0.163 1 1 1303 . 15 1 1 A 100 100 VAL N N 100 121.100 127.319 -6.219 1 1 1304 . 15 1 1 A 101 101 GLY H H 101 8.520 7.795 0.725 1 1 1305 . 15 1 1 A 101 101 GLY HA2 H 101 3.830 3.981 -0.151 1 1 1306 . 15 1 1 A 101 101 GLY HA3 H 101 3.980 3.982 -0.002 1 1 1307 . 15 1 1 A 101 101 GLY C C 101 174.200 172.692 1.508 1 1 1308 . 15 1 1 A 101 101 GLY CA C 101 45.800 45.001 0.799 1 1 1309 . 15 1 1 A 101 101 GLY N N 101 114.000 110.173 3.827 1 1 1310 . 15 1 1 A 102 102 LEU H H 102 8.100 9.107 -1.007 1 1 1311 . 15 1 1 A 102 102 LEU HA H 102 4.170 4.486 -0.316 1 1 1320 . 15 1 1 A 102 102 LEU C C 102 177.700 176.710 0.990 1 1 1321 . 15 1 1 A 102 102 LEU CA C 102 55.500 54.147 1.353 1 1 1322 . 15 1 1 A 102 102 LEU CB C 102 42.600 41.004 1.596 1 1 1326 . 15 1 1 A 102 102 LEU N N 102 121.000 126.956 -5.956 1 1 1327 . 15 1 1 A 103 103 GLU H H 103 8.420 8.819 -0.399 1 1 1328 . 15 1 1 A 103 103 GLU HA H 103 4.090 4.350 -0.260 1 1 1333 . 15 1 1 A 103 103 GLU C C 103 176.400 175.775 0.625 1 1 1334 . 15 1 1 A 103 103 GLU CA C 103 57.100 56.457 0.643 1 1 1335 . 15 1 1 A 103 103 GLU CB C 103 29.900 29.848 0.052 1 1 1337 . 15 1 1 A 103 103 GLU N N 103 120.000 125.256 -5.256 1 1 1338 . 15 1 1 A 104 104 HIS H H 104 8.180 7.940 0.240 1 1 1339 . 15 1 1 A 104 104 HIS HA H 104 4.580 4.228 0.352 1 1 1342 . 15 1 1 A 104 104 HIS C C 104 173.800 175.290 -1.490 1 1 1343 . 15 1 1 A 104 104 HIS CA C 104 55.700 56.850 -1.150 1 1 1344 . 15 1 1 A 104 104 HIS CB C 104 30.000 26.969 3.031 1 1 1345 . 15 1 1 A 104 104 HIS N N 104 119.000 114.660 4.340 1 1 1346 . 15 1 1 A 105 105 HIS H H 105 8.160 7.948 0.212 1 1 1347 . 15 1 1 A 105 105 HIS HA H 105 4.380 4.313 0.067 1 1 1350 . 15 1 1 A 105 105 HIS CA C 105 57.200 59.710 -2.510 1 1 1351 . 15 1 1 A 105 105 HIS CB C 105 30.000 30.752 -0.752 1 1 1 . 16 1 1 A 3 3 PRO HA H 3 4.430 4.490 -0.060 1 1 8 . 16 1 1 A 3 3 PRO C C 3 175.600 176.061 -0.461 1 1 9 . 16 1 1 A 3 3 PRO CA C 3 62.510 62.602 -0.092 1 1 10 . 16 1 1 A 3 3 PRO CB C 3 32.000 31.912 0.088 1 1 13 . 16 1 1 A 4 4 GLN H H 4 8.580 8.466 0.114 1 1 14 . 16 1 1 A 4 4 GLN HA H 4 4.260 4.563 -0.303 1 1 21 . 16 1 1 A 4 4 GLN C C 4 176.900 175.056 1.844 1 1 22 . 16 1 1 A 4 4 GLN CA C 4 55.700 55.399 0.301 1 1 23 . 16 1 1 A 4 4 GLN CB C 4 29.200 29.405 -0.205 1 1 25 . 16 1 1 A 4 4 GLN N N 4 120.000 121.269 -1.269 1 1 27 . 16 1 1 A 5 5 LEU H H 5 8.920 9.063 -0.143 1 1 28 . 16 1 1 A 5 5 LEU HA H 5 4.660 4.988 -0.328 1 1 38 . 16 1 1 A 5 5 LEU C C 5 176.900 176.189 0.711 1 1 39 . 16 1 1 A 5 5 LEU CA C 5 54.700 53.991 0.709 1 1 40 . 16 1 1 A 5 5 LEU CB C 5 43.000 43.722 -0.722 1 1 44 . 16 1 1 A 5 5 LEU N N 5 128.500 129.177 -0.677 1 1 45 . 16 1 1 A 6 6 THR H H 6 8.750 9.082 -0.332 1 1 46 . 16 1 1 A 6 6 THR HA H 6 4.530 5.030 -0.500 1 1 51 . 16 1 1 A 6 6 THR C C 6 173.700 173.714 -0.014 1 1 52 . 16 1 1 A 6 6 THR CA C 6 61.600 61.180 0.420 1 1 53 . 16 1 1 A 6 6 THR CB C 6 72.000 71.428 0.572 1 1 55 . 16 1 1 A 6 6 THR N N 6 121.000 121.090 -0.090 1 1 56 . 16 1 1 A 7 7 LYS H H 7 9.080 8.927 0.153 1 1 57 . 16 1 1 A 7 7 LYS HA H 7 4.430 4.518 -0.088 1 1 66 . 16 1 1 A 7 7 LYS C C 7 178.600 178.360 0.240 1 1 67 . 16 1 1 A 7 7 LYS CA C 7 54.300 54.871 -0.571 1 1 68 . 16 1 1 A 7 7 LYS CB C 7 32.300 33.758 -1.458 1 1 72 . 16 1 1 A 7 7 LYS N N 7 126.300 124.364 1.936 1 1 73 . 16 1 1 A 8 8 ILE H H 8 9.870 8.802 1.068 1 1 74 . 16 1 1 A 8 8 ILE HA H 8 3.240 3.784 -0.544 1 1 82 . 16 1 1 A 8 8 ILE C C 8 178.700 177.775 0.925 1 1 83 . 16 1 1 A 8 8 ILE CA C 8 66.800 65.389 1.411 1 1 84 . 16 1 1 A 8 8 ILE CB C 8 36.400 37.474 -1.074 1 1 87 . 16 1 1 A 8 8 ILE N N 8 124.700 122.564 2.136 1 1 88 . 16 1 1 A 9 9 VAL H H 9 8.340 8.087 0.253 1 1 89 . 16 1 1 A 9 9 VAL HA H 9 3.930 3.930 0.000 1 1 97 . 16 1 1 A 9 9 VAL C C 9 178.700 176.480 2.220 1 1 98 . 16 1 1 A 9 9 VAL CA C 9 63.300 64.178 -0.878 1 1 99 . 16 1 1 A 9 9 VAL CB C 9 31.700 31.501 0.199 1 1 102 . 16 1 1 A 9 9 VAL N N 9 119.500 120.318 -0.818 1 1 103 . 16 1 1 A 10 10 ASP H H 10 7.510 8.227 -0.717 1 1 104 . 16 1 1 A 10 10 ASP HA H 10 4.730 4.700 0.030 1 1 107 . 16 1 1 A 10 10 ASP C C 10 174.500 176.216 -1.716 1 1 108 . 16 1 1 A 10 10 ASP CA C 10 54.400 53.035 1.365 1 1 109 . 16 1 1 A 10 10 ASP CB C 10 41.100 40.962 0.138 1 1 110 . 16 1 1 A 10 10 ASP N N 10 119.100 120.167 -1.067 1 1 111 . 16 1 1 A 11 11 ILE H H 11 7.460 7.737 -0.277 1 1 112 . 16 1 1 A 11 11 ILE HA H 11 3.800 4.147 -0.347 1 1 122 . 16 1 1 A 11 11 ILE C C 11 174.900 176.467 -1.567 1 1 123 . 16 1 1 A 11 11 ILE CA C 11 62.100 60.761 1.339 1 1 124 . 16 1 1 A 11 11 ILE CB C 11 35.300 37.026 -1.726 1 1 128 . 16 1 1 A 11 11 ILE N N 11 124.200 121.692 2.508 1 1 129 . 16 1 1 A 12 12 VAL H H 12 8.530 8.557 -0.027 1 1 130 . 16 1 1 A 12 12 VAL HA H 12 4.260 4.071 0.189 1 1 138 . 16 1 1 A 12 12 VAL C C 12 174.900 174.884 0.016 1 1 139 . 16 1 1 A 12 12 VAL CA C 12 60.600 61.060 -0.460 1 1 140 . 16 1 1 A 12 12 VAL CB C 12 35.400 33.964 1.436 1 1 143 . 16 1 1 A 12 12 VAL N N 12 118.400 119.369 -0.969 1 1 144 . 16 1 1 A 13 13 GLU H H 13 7.430 7.333 0.097 1 1 145 . 16 1 1 A 13 13 GLU HA H 13 4.590 4.931 -0.341 1 1 150 . 16 1 1 A 13 13 GLU C C 13 173.800 174.675 -0.875 1 1 151 . 16 1 1 A 13 13 GLU CA C 13 54.800 54.472 0.328 1 1 152 . 16 1 1 A 13 13 GLU CB C 13 33.160 33.211 -0.051 1 1 154 . 16 1 1 A 13 13 GLU N N 13 120.100 122.704 -2.604 1 1 155 . 16 1 1 A 14 14 ASN H H 14 8.800 8.764 0.036 1 1 156 . 16 1 1 A 14 14 ASN HA H 14 4.110 4.941 -0.831 1 1 161 . 16 1 1 A 14 14 ASN C C 14 176.600 175.658 0.942 1 1 162 . 16 1 1 A 14 14 ASN CA C 14 54.600 52.387 2.213 1 1 163 . 16 1 1 A 14 14 ASN CB C 14 38.900 39.438 -0.538 1 1 164 . 16 1 1 A 14 14 ASN N N 14 121.500 123.936 -2.436 1 1 166 . 16 1 1 A 15 15 GLY H H 15 8.620 9.362 -0.742 1 1 167 . 16 1 1 A 15 15 GLY HA2 H 15 3.460 3.709 -0.249 1 1 168 . 16 1 1 A 15 15 GLY HA3 H 15 4.110 3.812 0.298 1 1 169 . 16 1 1 A 15 15 GLY C C 15 173.100 173.411 -0.311 1 1 170 . 16 1 1 A 15 15 GLY CA C 15 45.300 45.969 -0.669 1 1 171 . 16 1 1 A 15 15 GLY N N 15 114.900 109.927 4.973 1 1 172 . 16 1 1 A 16 16 GLN H H 16 7.280 7.703 -0.423 1 1 173 . 16 1 1 A 16 16 GLN HA H 16 4.160 4.587 -0.427 1 1 180 . 16 1 1 A 16 16 GLN C C 16 174.400 174.957 -0.557 1 1 181 . 16 1 1 A 16 16 GLN CA C 16 56.300 54.511 1.789 1 1 182 . 16 1 1 A 16 16 GLN CB C 16 30.300 30.092 0.208 1 1 184 . 16 1 1 A 16 16 GLN N N 16 121.500 120.181 1.319 1 1 186 . 16 1 1 A 17 17 TRP H H 17 8.640 8.990 -0.350 1 1 187 . 16 1 1 A 17 17 TRP HA H 17 5.400 5.396 0.004 1 1 196 . 16 1 1 A 17 17 TRP C C 17 176.900 176.075 0.825 1 1 197 . 16 1 1 A 17 17 TRP CA C 17 56.400 56.501 -0.101 1 1 198 . 16 1 1 A 17 17 TRP CB C 17 30.300 30.604 -0.304 1 1 204 . 16 1 1 A 17 17 TRP N N 17 125.500 127.161 -1.661 1 1 206 . 16 1 1 A 18 18 ALA H H 18 9.020 8.774 0.246 1 1 207 . 16 1 1 A 18 18 ALA HA H 18 4.650 4.893 -0.243 1 1 211 . 16 1 1 A 18 18 ALA C C 18 174.100 175.199 -1.099 1 1 212 . 16 1 1 A 18 18 ALA CA C 18 51.430 51.302 0.128 1 1 213 . 16 1 1 A 18 18 ALA CB C 18 22.600 23.537 -0.937 1 1 214 . 16 1 1 A 18 18 ALA N N 18 124.000 123.309 0.691 1 1 215 . 16 1 1 A 19 19 ASN H H 19 8.250 8.273 -0.023 1 1 216 . 16 1 1 A 19 19 ASN HA H 19 5.710 5.795 -0.085 1 1 221 . 16 1 1 A 19 19 ASN C C 19 173.500 174.455 -0.955 1 1 222 . 16 1 1 A 19 19 ASN CA C 19 51.600 52.086 -0.486 1 1 223 . 16 1 1 A 19 19 ASN CB C 19 40.100 42.176 -2.076 1 1 224 . 16 1 1 A 19 19 ASN N N 19 116.500 116.212 0.288 1 1 226 . 16 1 1 A 20 20 LEU H H 20 9.280 8.953 0.327 1 1 227 . 16 1 1 A 20 20 LEU HA H 20 4.930 5.176 -0.246 1 1 236 . 16 1 1 A 20 20 LEU C C 20 174.800 174.811 -0.011 1 1 237 . 16 1 1 A 20 20 LEU CA C 20 54.200 53.401 0.799 1 1 238 . 16 1 1 A 20 20 LEU CB C 20 46.300 46.188 0.112 1 1 241 . 16 1 1 A 20 20 LEU N N 20 121.800 121.936 -0.136 1 1 242 . 16 1 1 A 21 21 LYS H H 21 8.550 8.835 -0.285 1 1 243 . 16 1 1 A 21 21 LYS HA H 21 5.450 5.432 0.018 1 1 252 . 16 1 1 A 21 21 LYS C C 21 174.800 174.978 -0.178 1 1 253 . 16 1 1 A 21 21 LYS CA C 21 55.350 54.423 0.927 1 1 254 . 16 1 1 A 21 21 LYS CB C 21 34.300 35.910 -1.610 1 1 258 . 16 1 1 A 21 21 LYS N N 21 122.500 123.634 -1.134 1 1 259 . 16 1 1 A 22 22 ALA H H 22 9.090 8.351 0.739 1 1 260 . 16 1 1 A 22 22 ALA HA H 22 4.830 4.759 0.071 1 1 264 . 16 1 1 A 22 22 ALA C C 22 173.800 174.820 -1.020 1 1 265 . 16 1 1 A 22 22 ALA CA C 22 51.300 51.238 0.062 1 1 266 . 16 1 1 A 22 22 ALA CB C 22 24.700 22.741 1.959 1 1 267 . 16 1 1 A 22 22 ALA N N 22 123.200 126.378 -3.178 1 1 268 . 16 1 1 A 23 23 LYS H H 23 9.190 8.226 0.964 1 1 269 . 16 1 1 A 23 23 LYS HA H 23 5.080 5.058 0.022 1 1 276 . 16 1 1 A 23 23 LYS C C 23 176.900 175.723 1.177 1 1 277 . 16 1 1 A 23 23 LYS CA C 23 54.100 54.451 -0.351 1 1 278 . 16 1 1 A 23 23 LYS CB C 23 35.800 35.364 0.436 1 1 281 . 16 1 1 A 23 23 LYS N N 23 121.100 119.126 1.974 1 1 282 . 16 1 1 A 24 24 VAL H H 24 8.620 8.603 0.017 1 1 283 . 16 1 1 A 24 24 VAL HA H 24 4.110 4.107 0.003 1 1 291 . 16 1 1 A 24 24 VAL C C 24 175.800 176.435 -0.635 1 1 292 . 16 1 1 A 24 24 VAL CA C 24 62.750 63.214 -0.464 1 1 293 . 16 1 1 A 24 24 VAL CB C 24 30.500 30.849 -0.349 1 1 296 . 16 1 1 A 24 24 VAL N N 24 125.600 126.202 -0.602 1 1 297 . 16 1 1 A 25 25 ILE H H 25 8.430 8.245 0.185 1 1 298 . 16 1 1 A 25 25 ILE HA H 25 4.210 4.032 0.178 1 1 308 . 16 1 1 A 25 25 ILE C C 25 176.700 175.459 1.241 1 1 309 . 16 1 1 A 25 25 ILE CA C 25 62.100 63.351 -1.251 1 1 310 . 16 1 1 A 25 25 ILE CB C 25 38.300 38.834 -0.534 1 1 314 . 16 1 1 A 25 25 ILE N N 25 127.400 128.885 -1.485 1 1 315 . 16 1 1 A 26 26 GLN H H 26 7.590 7.262 0.328 1 1 316 . 16 1 1 A 26 26 GLN HA H 26 4.560 4.623 -0.063 1 1 323 . 16 1 1 A 26 26 GLN C C 26 173.700 173.384 0.316 1 1 324 . 16 1 1 A 26 26 GLN CA C 26 55.400 54.700 0.700 1 1 325 . 16 1 1 A 26 26 GLN CB C 26 34.100 32.420 1.680 1 1 327 . 16 1 1 A 26 26 GLN N N 26 117.100 118.634 -1.534 1 1 329 . 16 1 1 A 27 27 LEU H H 27 8.470 8.757 -0.287 1 1 330 . 16 1 1 A 27 27 LEU HA H 27 4.710 5.267 -0.557 1 1 340 . 16 1 1 A 27 27 LEU C C 27 176.200 173.677 2.523 1 1 341 . 16 1 1 A 27 27 LEU CA C 27 54.100 52.882 1.218 1 1 342 . 16 1 1 A 27 27 LEU CB C 27 44.000 46.118 -2.118 1 1 346 . 16 1 1 A 27 27 LEU N N 27 123.600 125.935 -2.335 1 1 347 . 16 1 1 A 28 28 TRP H H 28 8.850 8.545 0.305 1 1 348 . 16 1 1 A 28 28 TRP HA H 28 5.180 5.156 0.024 1 1 357 . 16 1 1 A 28 28 TRP C C 28 175.900 175.650 0.250 1 1 358 . 16 1 1 A 28 28 TRP CA C 28 53.300 55.719 -2.419 1 1 359 . 16 1 1 A 28 28 TRP CB C 28 31.400 32.230 -0.830 1 1 365 . 16 1 1 A 28 28 TRP N N 28 123.900 125.148 -1.248 1 1 367 . 16 1 1 A 29 29 GLU H H 29 8.620 8.957 -0.337 1 1 368 . 16 1 1 A 29 29 GLU HA H 29 4.250 4.458 -0.208 1 1 373 . 16 1 1 A 29 29 GLU C C 29 175.700 175.539 0.161 1 1 374 . 16 1 1 A 29 29 GLU CA C 29 56.800 57.128 -0.328 1 1 375 . 16 1 1 A 29 29 GLU CB C 29 30.000 30.338 -0.338 1 1 377 . 16 1 1 A 29 29 GLU N N 29 120.700 125.262 -4.562 1 1 378 . 16 1 1 A 30 30 ASN H H 30 8.720 8.143 0.577 1 1 379 . 16 1 1 A 30 30 ASN HA H 30 4.870 5.060 -0.190 1 1 384 . 16 1 1 A 30 30 ASN C C 30 174.800 175.716 -0.916 1 1 385 . 16 1 1 A 30 30 ASN CA C 30 53.800 51.903 1.897 1 1 386 . 16 1 1 A 30 30 ASN CB C 30 41.200 40.857 0.343 1 1 387 . 16 1 1 A 30 30 ASN N N 30 121.400 124.369 -2.969 1 1 389 . 16 1 1 A 31 31 THR H H 31 8.300 8.196 0.104 1 1 390 . 16 1 1 A 31 31 THR HA H 31 4.430 4.635 -0.205 1 1 395 . 16 1 1 A 31 31 THR C C 31 174.200 175.824 -1.624 1 1 396 . 16 1 1 A 31 31 THR CA C 31 61.000 61.485 -0.485 1 1 397 . 16 1 1 A 31 31 THR CB C 31 69.600 69.294 0.306 1 1 399 . 16 1 1 A 31 31 THR N N 31 114.200 115.471 -1.271 1 1 400 . 16 1 1 A 32 32 HIS H H 32 7.840 7.431 0.409 1 1 401 . 16 1 1 A 32 32 HIS HA H 32 4.560 4.543 0.017 1 1 405 . 16 1 1 A 32 32 HIS C C 32 177.300 175.139 2.161 1 1 406 . 16 1 1 A 32 32 HIS CA C 32 57.600 56.791 0.809 1 1 407 . 16 1 1 A 32 32 HIS CB C 32 32.000 29.750 2.250 1 1 409 . 16 1 1 A 32 32 HIS N N 32 122.500 120.076 2.424 1 1 410 . 16 1 1 A 33 33 GLU H H 33 9.020 8.147 0.873 1 1 411 . 16 1 1 A 33 33 GLU HA H 33 4.120 4.233 -0.113 1 1 416 . 16 1 1 A 33 33 GLU C C 33 177.100 176.020 1.080 1 1 417 . 16 1 1 A 33 33 GLU CA C 33 59.000 58.511 0.489 1 1 418 . 16 1 1 A 33 33 GLU CB C 33 29.400 29.496 -0.096 1 1 420 . 16 1 1 A 33 33 GLU N N 33 127.300 118.456 8.844 1 1 421 . 16 1 1 A 34 34 SER H H 34 9.430 8.434 0.996 1 1 422 . 16 1 1 A 34 34 SER HA H 34 4.580 4.653 -0.073 1 1 425 . 16 1 1 A 34 34 SER C C 34 174.800 173.922 0.878 1 1 426 . 16 1 1 A 34 34 SER CA C 34 59.500 58.083 1.417 1 1 427 . 16 1 1 A 34 34 SER CB C 34 63.600 62.788 0.812 1 1 428 . 16 1 1 A 34 34 SER N N 34 113.400 111.041 2.359 1 1 429 . 16 1 1 A 35 35 ILE H H 35 7.920 8.118 -0.198 1 1 430 . 16 1 1 A 35 35 ILE HA H 35 4.080 4.323 -0.243 1 1 440 . 16 1 1 A 35 35 ILE C C 35 174.300 175.393 -1.093 1 1 441 . 16 1 1 A 35 35 ILE CA C 35 61.600 61.648 -0.048 1 1 442 . 16 1 1 A 35 35 ILE CB C 35 40.700 39.221 1.479 1 1 446 . 16 1 1 A 35 35 ILE N N 35 125.800 121.724 4.076 1 1 447 . 16 1 1 A 36 36 SER H H 36 9.010 9.196 -0.186 1 1 448 . 16 1 1 A 36 36 SER HA H 36 4.480 4.441 0.039 1 1 451 . 16 1 1 A 36 36 SER C C 36 174.900 174.240 0.660 1 1 452 . 16 1 1 A 36 36 SER CA C 36 58.800 60.186 -1.386 1 1 453 . 16 1 1 A 36 36 SER CB C 36 64.300 63.152 1.148 1 1 454 . 16 1 1 A 36 36 SER N N 36 119.100 121.381 -2.281 1 1 455 . 16 1 1 A 37 37 GLN H H 37 7.390 7.505 -0.115 1 1 456 . 16 1 1 A 37 37 GLN HA H 37 4.690 4.669 0.021 1 1 463 . 16 1 1 A 37 37 GLN C C 37 171.800 172.908 -1.108 1 1 464 . 16 1 1 A 37 37 GLN CA C 37 54.900 54.743 0.157 1 1 465 . 16 1 1 A 37 37 GLN CB C 37 36.200 31.346 4.854 1 1 466 . 16 1 1 A 37 37 GLN N N 37 116.500 114.457 2.043 1 1 468 . 16 1 1 A 38 38 VAL H H 38 8.640 8.242 0.398 1 1 469 . 16 1 1 A 38 38 VAL HA H 38 4.160 4.498 -0.338 1 1 477 . 16 1 1 A 38 38 VAL C C 38 172.400 174.365 -1.965 1 1 478 . 16 1 1 A 38 38 VAL CA C 38 58.500 59.174 -0.674 1 1 479 . 16 1 1 A 38 38 VAL CB C 38 35.300 35.636 -0.336 1 1 482 . 16 1 1 A 38 38 VAL N N 38 120.400 118.655 1.745 1 1 483 . 16 1 1 A 39 39 GLY H H 39 6.440 7.312 -0.872 1 1 484 . 16 1 1 A 39 39 GLY HA2 H 39 3.690 4.265 -0.575 1 1 485 . 16 1 1 A 39 39 GLY HA3 H 39 1.940 4.355 -2.415 1 1 486 . 16 1 1 A 39 39 GLY C C 39 170.600 171.561 -0.961 1 1 487 . 16 1 1 A 39 39 GLY CA C 39 45.300 46.149 -0.849 1 1 488 . 16 1 1 A 39 39 GLY N N 39 109.600 110.394 -0.794 1 1 489 . 16 1 1 A 40 40 LEU H H 40 8.380 8.469 -0.089 1 1 490 . 16 1 1 A 40 40 LEU HA H 40 4.980 5.619 -0.639 1 1 499 . 16 1 1 A 40 40 LEU C C 40 176.000 175.661 0.339 1 1 500 . 16 1 1 A 40 40 LEU CA C 40 53.200 53.653 -0.453 1 1 501 . 16 1 1 A 40 40 LEU CB C 40 47.400 46.136 1.264 1 1 504 . 16 1 1 A 40 40 LEU N N 40 119.500 122.389 -2.889 1 1 505 . 16 1 1 A 41 41 LEU H H 41 9.410 9.193 0.217 1 1 506 . 16 1 1 A 41 41 LEU HA H 41 5.320 5.156 0.164 1 1 516 . 16 1 1 A 41 41 LEU C C 41 176.700 175.707 0.993 1 1 517 . 16 1 1 A 41 41 LEU CA C 41 52.400 52.979 -0.579 1 1 518 . 16 1 1 A 41 41 LEU CB C 41 44.900 43.935 0.965 1 1 522 . 16 1 1 A 41 41 LEU N N 41 122.700 121.989 0.711 1 1 523 . 16 1 1 A 42 42 GLY H H 42 9.210 10.022 -0.812 1 1 524 . 16 1 1 A 42 42 GLY HA2 H 42 3.550 4.090 -0.540 1 1 525 . 16 1 1 A 42 42 GLY HA3 H 42 5.350 4.095 1.255 1 1 526 . 16 1 1 A 42 42 GLY C C 42 171.200 171.837 -0.637 1 1 527 . 16 1 1 A 42 42 GLY CA C 42 45.700 45.307 0.393 1 1 528 . 16 1 1 A 42 42 GLY N N 42 104.600 112.547 -7.947 1 1 529 . 16 1 1 A 43 43 ASP H H 43 8.960 8.712 0.248 1 1 530 . 16 1 1 A 43 43 ASP HA H 43 4.640 5.033 -0.393 1 1 533 . 16 1 1 A 43 43 ASP C C 43 175.600 176.347 -0.747 1 1 534 . 16 1 1 A 43 43 ASP CA C 43 52.700 51.929 0.771 1 1 535 . 16 1 1 A 43 43 ASP CB C 43 41.600 43.780 -2.180 1 1 536 . 16 1 1 A 43 43 ASP N N 43 121.900 125.359 -3.459 1 1 537 . 16 1 1 A 44 44 GLU H H 44 10.150 9.001 1.149 1 1 538 . 16 1 1 A 44 44 GLU HA H 44 4.380 4.063 0.317 1 1 543 . 16 1 1 A 44 44 GLU C C 44 176.900 177.630 -0.730 1 1 544 . 16 1 1 A 44 44 GLU CA C 44 59.300 58.534 0.766 1 1 545 . 16 1 1 A 44 44 GLU CB C 44 28.100 29.680 -1.580 1 1 547 . 16 1 1 A 44 44 GLU N N 44 118.000 124.853 -6.853 1 1 548 . 16 1 1 A 45 45 THR H H 45 9.600 7.685 1.915 1 1 549 . 16 1 1 A 45 45 THR HA H 45 4.580 4.488 0.092 1 1 554 . 16 1 1 A 45 45 THR C C 45 174.800 173.846 0.954 1 1 555 . 16 1 1 A 45 45 THR CA C 45 61.700 62.370 -0.670 1 1 556 . 16 1 1 A 45 45 THR CB C 45 70.000 69.607 0.393 1 1 558 . 16 1 1 A 45 45 THR N N 45 112.000 109.113 2.887 1 1 559 . 16 1 1 A 46 46 GLY H H 46 7.640 7.514 0.126 1 1 560 . 16 1 1 A 46 46 GLY HA2 H 46 3.830 4.122 -0.292 1 1 561 . 16 1 1 A 46 46 GLY HA3 H 46 4.000 4.124 -0.124 1 1 562 . 16 1 1 A 46 46 GLY C C 46 169.400 171.426 -2.026 1 1 563 . 16 1 1 A 46 46 GLY CA C 46 46.000 45.241 0.759 1 1 564 . 16 1 1 A 46 46 GLY N N 46 110.600 107.835 2.765 1 1 565 . 16 1 1 A 47 47 ILE H H 47 8.000 8.510 -0.510 1 1 566 . 16 1 1 A 47 47 ILE HA H 47 5.450 5.444 0.006 1 1 576 . 16 1 1 A 47 47 ILE C C 47 175.200 174.083 1.117 1 1 577 . 16 1 1 A 47 47 ILE CA C 47 59.100 58.623 0.477 1 1 578 . 16 1 1 A 47 47 ILE CB C 47 42.400 42.574 -0.174 1 1 582 . 16 1 1 A 47 47 ILE N N 47 113.900 118.799 -4.899 1 1 583 . 16 1 1 A 48 48 ILE H H 48 9.340 8.403 0.937 1 1 584 . 16 1 1 A 48 48 ILE HA H 48 4.640 4.901 -0.261 1 1 594 . 16 1 1 A 48 48 ILE C C 48 171.500 173.083 -1.583 1 1 595 . 16 1 1 A 48 48 ILE CA C 48 60.600 59.086 1.514 1 1 596 . 16 1 1 A 48 48 ILE CB C 48 42.000 41.886 0.114 1 1 600 . 16 1 1 A 48 48 ILE N N 48 123.600 121.970 1.630 1 1 601 . 16 1 1 A 49 49 LYS H H 49 8.350 8.707 -0.357 1 1 602 . 16 1 1 A 49 49 LYS HA H 49 4.820 4.812 0.008 1 1 611 . 16 1 1 A 49 49 LYS C C 49 174.700 175.752 -1.052 1 1 612 . 16 1 1 A 49 49 LYS CA C 49 56.400 55.754 0.646 1 1 613 . 16 1 1 A 49 49 LYS CB C 49 33.800 33.600 0.200 1 1 617 . 16 1 1 A 49 49 LYS N N 49 129.100 129.489 -0.389 1 1 618 . 16 1 1 A 50 50 PHE H H 50 8.570 8.214 0.356 1 1 619 . 16 1 1 A 50 50 PHE HA H 50 5.820 5.395 0.425 1 1 627 . 16 1 1 A 50 50 PHE C C 50 172.100 172.187 -0.087 1 1 628 . 16 1 1 A 50 50 PHE CA C 50 54.800 56.484 -1.684 1 1 629 . 16 1 1 A 50 50 PHE CB C 50 43.900 41.560 2.340 1 1 635 . 16 1 1 A 50 50 PHE N N 50 122.700 119.711 2.989 1 1 636 . 16 1 1 A 51 51 THR H H 51 8.190 8.717 -0.527 1 1 637 . 16 1 1 A 51 51 THR HA H 51 4.320 4.738 -0.418 1 1 642 . 16 1 1 A 51 51 THR C C 51 172.900 172.668 0.232 1 1 643 . 16 1 1 A 51 51 THR CA C 51 61.700 59.878 1.822 1 1 644 . 16 1 1 A 51 51 THR CB C 51 72.500 71.059 1.441 1 1 646 . 16 1 1 A 51 51 THR N N 51 114.400 114.232 0.168 1 1 647 . 16 1 1 A 52 52 ILE H H 52 8.880 8.783 0.097 1 1 648 . 16 1 1 A 52 52 ILE HA H 52 4.650 4.613 0.037 1 1 658 . 16 1 1 A 52 52 ILE C C 52 176.000 175.074 0.926 1 1 659 . 16 1 1 A 52 52 ILE CA C 52 60.500 60.239 0.261 1 1 660 . 16 1 1 A 52 52 ILE CB C 52 38.900 39.685 -0.785 1 1 664 . 16 1 1 A 52 52 ILE N N 52 123.400 127.284 -3.884 1 1 665 . 16 1 1 A 53 53 TRP H H 53 8.020 8.640 -0.620 1 1 666 . 16 1 1 A 53 53 TRP HA H 53 4.740 4.790 -0.050 1 1 675 . 16 1 1 A 53 53 TRP C C 53 177.500 177.267 0.233 1 1 676 . 16 1 1 A 53 53 TRP CA C 53 57.700 57.445 0.255 1 1 677 . 16 1 1 A 53 53 TRP CB C 53 30.400 30.220 0.180 1 1 683 . 16 1 1 A 53 53 TRP N N 53 129.500 128.657 0.843 1 1 685 . 16 1 1 A 54 54 LYS H H 54 8.980 8.965 0.015 1 1 686 . 16 1 1 A 54 54 LYS HA H 54 4.100 4.007 0.093 1 1 695 . 16 1 1 A 54 54 LYS C C 54 177.700 178.506 -0.806 1 1 696 . 16 1 1 A 54 54 LYS CA C 54 59.400 59.643 -0.243 1 1 697 . 16 1 1 A 54 54 LYS CB C 54 32.400 32.236 0.164 1 1 701 . 16 1 1 A 54 54 LYS N N 54 125.500 125.016 0.484 1 1 702 . 16 1 1 A 55 55 ASN H H 55 8.600 8.286 0.314 1 1 703 . 16 1 1 A 55 55 ASN HA H 55 4.510 4.644 -0.134 1 1 708 . 16 1 1 A 55 55 ASN C C 55 175.300 176.915 -1.615 1 1 709 . 16 1 1 A 55 55 ASN CA C 55 53.700 55.225 -1.525 1 1 710 . 16 1 1 A 55 55 ASN CB C 55 37.100 38.236 -1.136 1 1 711 . 16 1 1 A 55 55 ASN N N 55 115.400 117.440 -2.040 1 1 713 . 16 1 1 A 56 56 ALA H H 56 7.630 7.896 -0.266 1 1 714 . 16 1 1 A 56 56 ALA HA H 56 3.970 4.370 -0.400 1 1 718 . 16 1 1 A 56 56 ALA C C 56 176.100 176.969 -0.869 1 1 719 . 16 1 1 A 56 56 ALA CA C 56 53.500 52.787 0.713 1 1 720 . 16 1 1 A 56 56 ALA CB C 56 18.400 19.654 -1.254 1 1 721 . 16 1 1 A 56 56 ALA N N 56 121.200 120.644 0.556 1 1 722 . 16 1 1 A 57 57 GLU H H 57 7.880 8.201 -0.321 1 1 723 . 16 1 1 A 57 57 GLU HA H 57 3.940 3.884 0.056 1 1 728 . 16 1 1 A 57 57 GLU C C 57 175.400 175.011 0.389 1 1 729 . 16 1 1 A 57 57 GLU CA C 57 56.700 57.393 -0.693 1 1 730 . 16 1 1 A 57 57 GLU CB C 57 27.300 27.265 0.035 1 1 732 . 16 1 1 A 57 57 GLU N N 57 112.500 115.142 -2.642 1 1 733 . 16 1 1 A 58 58 LEU H H 58 7.910 7.891 0.019 1 1 734 . 16 1 1 A 58 58 LEU HA H 58 4.740 4.731 0.009 1 1 744 . 16 1 1 A 58 58 LEU C C 58 175.400 174.478 0.922 1 1 745 . 16 1 1 A 58 58 LEU CA C 58 52.300 51.996 0.304 1 1 746 . 16 1 1 A 58 58 LEU CB C 58 42.900 42.182 0.718 1 1 750 . 16 1 1 A 58 58 LEU N N 58 120.000 120.416 -0.416 1 1 751 . 16 1 1 A 59 59 PRO HA H 59 4.380 4.482 -0.102 1 1 758 . 16 1 1 A 59 59 PRO CA C 59 62.200 63.059 -0.859 1 1 759 . 16 1 1 A 59 59 PRO CB C 59 32.000 31.920 0.080 1 1 762 . 16 1 1 A 60 60 LEU H H 60 7.860 8.227 -0.367 1 1 763 . 16 1 1 A 60 60 LEU HA H 60 3.920 4.407 -0.487 1 1 773 . 16 1 1 A 60 60 LEU C C 60 178.300 177.173 1.127 1 1 774 . 16 1 1 A 60 60 LEU CA C 60 55.000 54.781 0.219 1 1 775 . 16 1 1 A 60 60 LEU CB C 60 41.800 42.592 -0.792 1 1 779 . 16 1 1 A 60 60 LEU N N 60 117.500 123.955 -6.455 1 1 780 . 16 1 1 A 61 61 LEU H H 61 9.680 8.364 1.316 1 1 781 . 16 1 1 A 61 61 LEU HA H 61 4.040 3.928 0.112 1 1 791 . 16 1 1 A 61 61 LEU C C 61 177.300 176.903 0.397 1 1 792 . 16 1 1 A 61 61 LEU CA C 61 54.100 54.010 0.090 1 1 793 . 16 1 1 A 61 61 LEU CB C 61 41.300 41.963 -0.663 1 1 797 . 16 1 1 A 61 61 LEU N N 61 122.300 124.303 -2.003 1 1 798 . 16 1 1 A 62 62 GLU H H 62 8.390 9.360 -0.970 1 1 799 . 16 1 1 A 62 62 GLU HA H 62 4.430 4.635 -0.205 1 1 804 . 16 1 1 A 62 62 GLU C C 62 175.600 176.182 -0.582 1 1 805 . 16 1 1 A 62 62 GLU CA C 62 54.800 55.148 -0.348 1 1 806 . 16 1 1 A 62 62 GLU CB C 62 32.200 31.473 0.727 1 1 808 . 16 1 1 A 62 62 GLU N N 62 120.500 122.948 -2.448 1 1 809 . 16 1 1 A 63 63 GLN H H 63 8.780 8.717 0.063 1 1 810 . 16 1 1 A 63 63 GLN HA H 63 3.700 3.967 -0.267 1 1 817 . 16 1 1 A 63 63 GLN C C 63 176.600 176.824 -0.224 1 1 818 . 16 1 1 A 63 63 GLN CA C 63 58.100 57.650 0.450 1 1 819 . 16 1 1 A 63 63 GLN CB C 63 28.300 28.356 -0.056 1 1 821 . 16 1 1 A 63 63 GLN N N 63 123.300 123.595 -0.295 1 1 823 . 16 1 1 A 64 64 GLY H H 64 9.140 8.638 0.502 1 1 824 . 16 1 1 A 64 64 GLY HA2 H 64 3.580 3.966 -0.386 1 1 825 . 16 1 1 A 64 64 GLY HA3 H 64 4.390 3.972 0.418 1 1 826 . 16 1 1 A 64 64 GLY C C 64 173.900 174.096 -0.196 1 1 827 . 16 1 1 A 64 64 GLY CA C 64 45.300 45.120 0.180 1 1 828 . 16 1 1 A 64 64 GLY N N 64 115.100 114.847 0.253 1 1 829 . 16 1 1 A 65 65 GLU H H 65 7.590 7.629 -0.039 1 1 830 . 16 1 1 A 65 65 GLU HA H 65 4.490 4.596 -0.106 1 1 835 . 16 1 1 A 65 65 GLU C C 65 174.200 176.135 -1.935 1 1 836 . 16 1 1 A 65 65 GLU CA C 65 54.900 54.953 -0.053 1 1 837 . 16 1 1 A 65 65 GLU CB C 65 30.500 31.079 -0.579 1 1 839 . 16 1 1 A 65 65 GLU N N 65 120.300 120.667 -0.367 1 1 840 . 16 1 1 A 66 66 SER H H 66 8.700 8.221 0.479 1 1 841 . 16 1 1 A 66 66 SER HA H 66 5.330 4.909 0.421 1 1 844 . 16 1 1 A 66 66 SER C C 66 174.100 173.259 0.841 1 1 845 . 16 1 1 A 66 66 SER CA C 66 58.300 57.207 1.093 1 1 846 . 16 1 1 A 66 66 SER CB C 66 65.500 64.616 0.884 1 1 847 . 16 1 1 A 66 66 SER N N 66 116.500 115.458 1.042 1 1 848 . 16 1 1 A 67 67 TYR H H 67 9.090 8.898 0.192 1 1 849 . 16 1 1 A 67 67 TYR HA H 67 5.110 4.970 0.140 1 1 856 . 16 1 1 A 67 67 TYR C C 67 173.900 174.382 -0.482 1 1 857 . 16 1 1 A 67 67 TYR CA C 67 57.500 56.376 1.124 1 1 858 . 16 1 1 A 67 67 TYR CB C 67 43.900 42.979 0.921 1 1 863 . 16 1 1 A 67 67 TYR N N 67 119.000 120.210 -1.210 1 1 864 . 16 1 1 A 68 68 LEU H H 68 9.230 8.957 0.273 1 1 865 . 16 1 1 A 68 68 LEU HA H 68 5.000 5.104 -0.104 1 1 875 . 16 1 1 A 68 68 LEU C C 68 175.300 174.461 0.839 1 1 876 . 16 1 1 A 68 68 LEU CA C 68 54.300 53.909 0.391 1 1 877 . 16 1 1 A 68 68 LEU CB C 68 43.800 45.009 -1.209 1 1 881 . 16 1 1 A 68 68 LEU N N 68 121.800 124.661 -2.861 1 1 882 . 16 1 1 A 69 69 LEU H H 69 9.460 8.990 0.470 1 1 883 . 16 1 1 A 69 69 LEU HA H 69 5.010 4.967 0.043 1 1 893 . 16 1 1 A 69 69 LEU C C 69 175.000 175.647 -0.647 1 1 894 . 16 1 1 A 69 69 LEU CA C 69 54.100 53.793 0.307 1 1 895 . 16 1 1 A 69 69 LEU CB C 69 42.300 43.348 -1.048 1 1 899 . 16 1 1 A 69 69 LEU N N 69 128.500 128.288 0.212 1 1 900 . 16 1 1 A 70 70 ARG H H 70 8.910 8.546 0.364 1 1 901 . 16 1 1 A 70 70 ARG HA H 70 4.850 5.098 -0.248 1 1 909 . 16 1 1 A 70 70 ARG C C 70 176.400 176.673 -0.273 1 1 910 . 16 1 1 A 70 70 ARG CA C 70 54.900 54.406 0.494 1 1 911 . 16 1 1 A 70 70 ARG CB C 70 32.300 33.310 -1.010 1 1 914 . 16 1 1 A 70 70 ARG N N 70 121.500 124.494 -2.994 1 1 916 . 16 1 1 A 71 71 SER H H 71 8.800 9.506 -0.706 1 1 917 . 16 1 1 A 71 71 SER HA H 71 3.870 4.297 -0.427 1 1 920 . 16 1 1 A 71 71 SER C C 71 175.800 173.875 1.925 1 1 921 . 16 1 1 A 71 71 SER CA C 71 58.600 59.166 -0.566 1 1 922 . 16 1 1 A 71 71 SER CB C 71 62.000 60.970 1.030 1 1 923 . 16 1 1 A 71 71 SER N N 71 114.400 118.718 -4.318 1 1 924 . 16 1 1 A 72 72 VAL H H 72 8.750 7.554 1.196 1 1 925 . 16 1 1 A 72 72 VAL HA H 72 4.610 5.011 -0.401 1 1 933 . 16 1 1 A 72 72 VAL C C 72 173.300 174.002 -0.702 1 1 934 . 16 1 1 A 72 72 VAL CA C 72 59.300 59.691 -0.391 1 1 935 . 16 1 1 A 72 72 VAL CB C 72 31.900 34.758 -2.858 1 1 938 . 16 1 1 A 72 72 VAL N N 72 115.500 117.522 -2.022 1 1 939 . 16 1 1 A 73 73 VAL H H 73 7.940 8.362 -0.422 1 1 940 . 16 1 1 A 73 73 VAL HA H 73 4.760 4.712 0.048 1 1 948 . 16 1 1 A 73 73 VAL C C 73 174.300 173.693 0.607 1 1 949 . 16 1 1 A 73 73 VAL CA C 73 58.800 59.281 -0.481 1 1 950 . 16 1 1 A 73 73 VAL CB C 73 34.500 35.039 -0.539 1 1 953 . 16 1 1 A 73 73 VAL N N 73 118.200 120.972 -2.772 1 1 954 . 16 1 1 A 74 74 VAL H H 74 8.430 8.174 0.256 1 1 955 . 16 1 1 A 74 74 VAL HA H 74 4.560 4.564 -0.004 1 1 963 . 16 1 1 A 74 74 VAL C C 74 177.300 175.862 1.438 1 1 964 . 16 1 1 A 74 74 VAL CA C 74 62.100 60.862 1.238 1 1 965 . 16 1 1 A 74 74 VAL CB C 74 32.700 32.519 0.181 1 1 968 . 16 1 1 A 74 74 VAL N N 74 127.800 125.947 1.853 1 1 969 . 16 1 1 A 75 75 GLY H H 75 9.040 9.500 -0.460 1 1 970 . 16 1 1 A 75 75 GLY HA2 H 75 3.750 4.288 -0.538 1 1 971 . 16 1 1 A 75 75 GLY HA3 H 75 5.120 4.314 0.806 1 1 972 . 16 1 1 A 75 75 GLY C C 75 172.500 171.916 0.584 1 1 973 . 16 1 1 A 75 75 GLY CA C 75 43.700 44.062 -0.362 1 1 974 . 16 1 1 A 75 75 GLY N N 75 116.000 115.648 0.352 1 1 975 . 16 1 1 A 76 76 GLU H H 76 8.380 8.647 -0.267 1 1 976 . 16 1 1 A 76 76 GLU HA H 76 4.690 4.678 0.012 1 1 981 . 16 1 1 A 76 76 GLU C C 76 176.000 174.675 1.325 1 1 982 . 16 1 1 A 76 76 GLU CA C 76 56.100 55.328 0.772 1 1 983 . 16 1 1 A 76 76 GLU CB C 76 32.000 30.511 1.489 1 1 985 . 16 1 1 A 76 76 GLU N N 76 120.200 122.684 -2.484 1 1 986 . 16 1 1 A 77 77 TYR H H 77 8.430 8.582 -0.152 1 1 987 . 16 1 1 A 77 77 TYR HA H 77 4.570 4.901 -0.331 1 1 994 . 16 1 1 A 77 77 TYR C C 77 174.200 175.414 -1.214 1 1 995 . 16 1 1 A 77 77 TYR CA C 77 56.500 57.373 -0.873 1 1 996 . 16 1 1 A 77 77 TYR CB C 77 39.800 40.509 -0.709 1 1 1001 . 16 1 1 A 77 77 TYR N N 77 124.400 129.499 -5.099 1 1 1002 . 16 1 1 A 78 78 ASN H H 78 9.100 8.719 0.381 1 1 1003 . 16 1 1 A 78 78 ASN HA H 78 4.000 4.363 -0.363 1 1 1008 . 16 1 1 A 78 78 ASN C C 78 177.300 174.762 2.538 1 1 1009 . 16 1 1 A 78 78 ASN CA C 78 54.700 54.793 -0.093 1 1 1010 . 16 1 1 A 78 78 ASN CB C 78 36.600 37.443 -0.843 1 1 1011 . 16 1 1 A 78 78 ASN N N 78 125.800 126.816 -1.016 1 1 1013 . 16 1 1 A 79 79 ASP H H 79 8.640 8.363 0.277 1 1 1014 . 16 1 1 A 79 79 ASP HA H 79 4.240 4.521 -0.281 1 1 1017 . 16 1 1 A 79 79 ASP C C 79 174.600 176.117 -1.517 1 1 1018 . 16 1 1 A 79 79 ASP CA C 79 54.900 54.989 -0.089 1 1 1019 . 16 1 1 A 79 79 ASP CB C 79 39.700 41.703 -2.003 1 1 1020 . 16 1 1 A 79 79 ASP N N 79 115.700 125.571 -9.871 1 1 1021 . 16 1 1 A 80 80 ARG H H 80 7.880 7.521 0.359 1 1 1022 . 16 1 1 A 80 80 ARG HA H 80 4.370 4.653 -0.283 1 1 1030 . 16 1 1 A 80 80 ARG C C 80 175.000 175.432 -0.432 1 1 1031 . 16 1 1 A 80 80 ARG CA C 80 54.200 54.559 -0.359 1 1 1032 . 16 1 1 A 80 80 ARG CB C 80 31.800 31.692 0.108 1 1 1035 . 16 1 1 A 80 80 ARG N N 80 119.700 117.640 2.060 1 1 1037 . 16 1 1 A 81 81 PHE H H 81 8.410 8.851 -0.441 1 1 1038 . 16 1 1 A 81 81 PHE HA H 81 5.420 5.344 0.076 1 1 1046 . 16 1 1 A 81 81 PHE C C 81 174.400 175.008 -0.608 1 1 1047 . 16 1 1 A 81 81 PHE CA C 81 57.200 56.695 0.505 1 1 1048 . 16 1 1 A 81 81 PHE CB C 81 42.000 42.477 -0.477 1 1 1054 . 16 1 1 A 81 81 PHE N N 81 120.700 118.284 2.416 1 1 1055 . 16 1 1 A 82 82 GLN H H 82 8.950 8.966 -0.016 1 1 1056 . 16 1 1 A 82 82 GLN HA H 82 5.110 5.020 0.090 1 1 1063 . 16 1 1 A 82 82 GLN C C 82 172.400 173.589 -1.189 1 1 1064 . 16 1 1 A 82 82 GLN CA C 82 53.500 54.544 -1.044 1 1 1065 . 16 1 1 A 82 82 GLN CB C 82 31.900 32.661 -0.761 1 1 1067 . 16 1 1 A 82 82 GLN N N 82 115.000 118.528 -3.528 1 1 1069 . 16 1 1 A 83 83 VAL H H 83 9.090 8.475 0.615 1 1 1070 . 16 1 1 A 83 83 VAL HA H 83 4.380 4.714 -0.334 1 1 1078 . 16 1 1 A 83 83 VAL C C 83 174.600 174.803 -0.203 1 1 1079 . 16 1 1 A 83 83 VAL CA C 83 61.600 61.620 -0.020 1 1 1080 . 16 1 1 A 83 83 VAL CB C 83 33.500 33.014 0.486 1 1 1083 . 16 1 1 A 83 83 VAL N N 83 118.900 122.469 -3.569 1 1 1084 . 16 1 1 A 84 84 GLN H H 84 9.280 8.872 0.408 1 1 1085 . 16 1 1 A 84 84 GLN HA H 84 5.020 4.897 0.123 1 1 1092 . 16 1 1 A 84 84 GLN C C 84 174.500 174.643 -0.143 1 1 1093 . 16 1 1 A 84 84 GLN CA C 84 54.400 54.744 -0.344 1 1 1094 . 16 1 1 A 84 84 GLN CB C 84 29.900 30.641 -0.741 1 1 1096 . 16 1 1 A 84 84 GLN N N 84 124.800 127.306 -2.506 1 1 1098 . 16 1 1 A 85 85 VAL H H 85 8.680 8.901 -0.221 1 1 1099 . 16 1 1 A 85 85 VAL HA H 85 4.300 4.735 -0.435 1 1 1107 . 16 1 1 A 85 85 VAL C C 85 174.500 175.489 -0.989 1 1 1108 . 16 1 1 A 85 85 VAL CA C 85 61.700 61.584 0.116 1 1 1109 . 16 1 1 A 85 85 VAL CB C 85 31.700 32.986 -1.286 1 1 1112 . 16 1 1 A 85 85 VAL N N 85 125.500 125.714 -0.214 1 1 1113 . 16 1 1 A 86 86 ASN H H 86 8.740 8.672 0.068 1 1 1114 . 16 1 1 A 86 86 ASN HA H 86 5.240 5.274 -0.034 1 1 1119 . 16 1 1 A 86 86 ASN C C 86 175.300 176.370 -1.070 1 1 1120 . 16 1 1 A 86 86 ASN CA C 86 51.800 51.713 0.087 1 1 1121 . 16 1 1 A 86 86 ASN CB C 86 42.400 41.632 0.768 1 1 1122 . 16 1 1 A 86 86 ASN N N 86 124.000 125.831 -1.831 1 1 1124 . 16 1 1 A 87 87 LYS H H 87 8.530 8.833 -0.303 1 1 1125 . 16 1 1 A 87 87 LYS HA H 87 4.210 4.043 0.167 1 1 1134 . 16 1 1 A 87 87 LYS C C 87 176.700 177.711 -1.011 1 1 1135 . 16 1 1 A 87 87 LYS CA C 87 59.000 59.399 -0.399 1 1 1136 . 16 1 1 A 87 87 LYS CB C 87 32.400 32.178 0.222 1 1 1140 . 16 1 1 A 87 87 LYS N N 87 117.600 122.961 -5.361 1 1 1141 . 16 1 1 A 88 88 ASN H H 88 8.600 8.018 0.582 1 1 1142 . 16 1 1 A 88 88 ASN HA H 88 4.810 4.656 0.154 1 1 1147 . 16 1 1 A 88 88 ASN C C 88 175.600 175.673 -0.073 1 1 1148 . 16 1 1 A 88 88 ASN CA C 88 54.100 55.104 -1.004 1 1 1149 . 16 1 1 A 88 88 ASN CB C 88 39.100 38.388 0.712 1 1 1150 . 16 1 1 A 88 88 ASN N N 88 115.500 117.683 -2.183 1 1 1152 . 16 1 1 A 89 89 SER H H 89 8.150 7.481 0.669 1 1 1153 . 16 1 1 A 89 89 SER HA H 89 5.120 4.854 0.266 1 1 1156 . 16 1 1 A 89 89 SER C C 89 172.400 173.702 -1.302 1 1 1157 . 16 1 1 A 89 89 SER CA C 89 58.100 57.307 0.793 1 1 1158 . 16 1 1 A 89 89 SER CB C 89 64.000 64.776 -0.776 1 1 1159 . 16 1 1 A 89 89 SER N N 89 117.500 115.915 1.585 1 1 1160 . 16 1 1 A 90 90 SER H H 90 8.200 8.596 -0.396 1 1 1161 . 16 1 1 A 90 90 SER HA H 90 4.680 5.443 -0.763 1 1 1164 . 16 1 1 A 90 90 SER C C 90 172.400 173.412 -1.012 1 1 1165 . 16 1 1 A 90 90 SER CA C 90 57.700 57.145 0.555 1 1 1166 . 16 1 1 A 90 90 SER CB C 90 65.700 66.306 -0.606 1 1 1167 . 16 1 1 A 90 90 SER N N 90 113.200 118.666 -5.466 1 1 1168 . 16 1 1 A 91 91 ILE H H 91 8.640 8.900 -0.260 1 1 1169 . 16 1 1 A 91 91 ILE HA H 91 5.030 5.118 -0.088 1 1 1179 . 16 1 1 A 91 91 ILE C C 91 175.300 174.495 0.805 1 1 1180 . 16 1 1 A 91 91 ILE CA C 91 60.200 60.324 -0.124 1 1 1181 . 16 1 1 A 91 91 ILE CB C 91 42.200 41.585 0.615 1 1 1185 . 16 1 1 A 91 91 ILE N N 91 119.700 122.449 -2.749 1 1 1186 . 16 1 1 A 92 92 GLU H H 92 8.810 8.748 0.062 1 1 1187 . 16 1 1 A 92 92 GLU HA H 92 4.710 4.981 -0.271 1 1 1192 . 16 1 1 A 92 92 GLU C C 92 174.700 174.952 -0.252 1 1 1193 . 16 1 1 A 92 92 GLU CA C 92 54.600 54.501 0.099 1 1 1194 . 16 1 1 A 92 92 GLU CB C 92 33.300 32.927 0.373 1 1 1196 . 16 1 1 A 92 92 GLU N N 92 125.900 126.259 -0.359 1 1 1197 . 16 1 1 A 93 93 LYS H H 93 9.080 8.493 0.587 1 1 1198 . 16 1 1 A 93 93 LYS HA H 93 4.100 4.315 -0.215 1 1 1207 . 16 1 1 A 93 93 LYS C C 93 176.400 175.722 0.678 1 1 1208 . 16 1 1 A 93 93 LYS CA C 93 57.500 56.398 1.102 1 1 1209 . 16 1 1 A 93 93 LYS CB C 93 32.900 33.237 -0.337 1 1 1213 . 16 1 1 A 93 93 LYS N N 93 127.600 125.974 1.626 1 1 1214 . 16 1 1 A 94 94 LEU H H 94 8.410 8.338 0.072 1 1 1215 . 16 1 1 A 94 94 LEU HA H 94 4.480 4.824 -0.344 1 1 1224 . 16 1 1 A 94 94 LEU C C 94 177.300 177.806 -0.506 1 1 1225 . 16 1 1 A 94 94 LEU CA C 94 53.900 53.236 0.664 1 1 1226 . 16 1 1 A 94 94 LEU CB C 94 42.900 43.462 -0.562 1 1 1230 . 16 1 1 A 94 94 LEU N N 94 127.300 126.660 0.640 1 1 1231 . 16 1 1 A 95 95 SER H H 95 8.630 8.660 -0.030 1 1 1232 . 16 1 1 A 95 95 SER HA H 95 4.350 4.449 -0.099 1 1 1235 . 16 1 1 A 95 95 SER C C 95 173.800 174.038 -0.238 1 1 1236 . 16 1 1 A 95 95 SER CA C 95 58.900 58.632 0.268 1 1 1237 . 16 1 1 A 95 95 SER CB C 95 63.400 63.678 -0.278 1 1 1238 . 16 1 1 A 95 95 SER N N 95 115.700 117.201 -1.501 1 1 1239 . 16 1 1 A 96 96 GLU H H 96 7.230 7.529 -0.299 1 1 1240 . 16 1 1 A 96 96 GLU HA H 96 4.750 4.581 0.169 1 1 1245 . 16 1 1 A 96 96 GLU CA C 96 53.000 52.670 0.330 1 1 1246 . 16 1 1 A 96 96 GLU CB C 96 30.700 30.685 0.015 1 1 1248 . 16 1 1 A 96 96 GLU N N 96 121.600 121.800 -0.200 1 1 1249 . 16 1 1 A 97 97 PRO HA H 97 4.250 4.748 -0.498 1 1 1256 . 16 1 1 A 97 97 PRO CA C 97 62.400 62.348 0.052 1 1 1257 . 16 1 1 A 97 97 PRO CB C 97 32.600 32.532 0.068 1 1 1260 . 16 1 1 A 98 98 ILE H H 98 7.920 8.430 -0.510 1 1 1261 . 16 1 1 A 98 98 ILE HA H 98 4.070 4.778 -0.708 1 1 1271 . 16 1 1 A 98 98 ILE C C 98 175.400 175.224 0.176 1 1 1272 . 16 1 1 A 98 98 ILE CA C 98 59.300 59.543 -0.243 1 1 1273 . 16 1 1 A 98 98 ILE CB C 98 38.300 40.369 -2.069 1 1 1277 . 16 1 1 A 98 98 ILE N N 98 122.700 121.543 1.157 1 1 1278 . 16 1 1 A 99 99 GLU H H 99 8.550 8.889 -0.339 1 1 1279 . 16 1 1 A 99 99 GLU HA H 99 4.260 4.750 -0.490 1 1 1284 . 16 1 1 A 99 99 GLU C C 99 175.100 175.516 -0.416 1 1 1285 . 16 1 1 A 99 99 GLU CA C 99 55.500 56.036 -0.536 1 1 1286 . 16 1 1 A 99 99 GLU CB C 99 30.000 30.676 -0.676 1 1 1288 . 16 1 1 A 99 99 GLU N N 99 127.900 128.109 -0.209 1 1 1289 . 16 1 1 A 100 100 VAL H H 100 7.970 8.697 -0.727 1 1 1290 . 16 1 1 A 100 100 VAL HA H 100 3.980 4.453 -0.473 1 1 1298 . 16 1 1 A 100 100 VAL C C 100 176.700 175.805 0.895 1 1 1299 . 16 1 1 A 100 100 VAL CA C 100 61.000 62.013 -1.013 1 1 1300 . 16 1 1 A 100 100 VAL CB C 100 33.000 30.296 2.704 1 1 1303 . 16 1 1 A 100 100 VAL N N 100 121.100 125.855 -4.755 1 1 1304 . 16 1 1 A 101 101 GLY H H 101 8.520 8.083 0.437 1 1 1305 . 16 1 1 A 101 101 GLY HA2 H 101 3.830 4.154 -0.324 1 1 1306 . 16 1 1 A 101 101 GLY HA3 H 101 3.980 4.158 -0.178 1 1 1307 . 16 1 1 A 101 101 GLY C C 101 174.200 174.434 -0.234 1 1 1308 . 16 1 1 A 101 101 GLY CA C 101 45.800 45.247 0.553 1 1 1309 . 16 1 1 A 101 101 GLY N N 101 114.000 115.470 -1.470 1 1 1310 . 16 1 1 A 102 102 LEU H H 102 8.100 8.514 -0.414 1 1 1311 . 16 1 1 A 102 102 LEU HA H 102 4.170 3.993 0.177 1 1 1320 . 16 1 1 A 102 102 LEU C C 102 177.700 176.829 0.871 1 1 1321 . 16 1 1 A 102 102 LEU CA C 102 55.500 57.219 -1.719 1 1 1322 . 16 1 1 A 102 102 LEU CB C 102 42.600 40.797 1.803 1 1 1326 . 16 1 1 A 102 102 LEU N N 102 121.000 123.167 -2.167 1 1 1327 . 16 1 1 A 103 103 GLU H H 103 8.420 8.230 0.190 1 1 1328 . 16 1 1 A 103 103 GLU HA H 103 4.090 4.490 -0.400 1 1 1333 . 16 1 1 A 103 103 GLU C C 103 176.400 177.328 -0.928 1 1 1334 . 16 1 1 A 103 103 GLU CA C 103 57.100 57.485 -0.385 1 1 1335 . 16 1 1 A 103 103 GLU CB C 103 29.900 31.416 -1.516 1 1 1337 . 16 1 1 A 103 103 GLU N N 103 120.000 122.879 -2.879 1 1 1338 . 16 1 1 A 104 104 HIS H H 104 8.180 7.965 0.215 1 1 1339 . 16 1 1 A 104 104 HIS HA H 104 4.580 4.303 0.277 1 1 1342 . 16 1 1 A 104 104 HIS C C 104 173.800 174.216 -0.416 1 1 1343 . 16 1 1 A 104 104 HIS CA C 104 55.700 58.161 -2.461 1 1 1344 . 16 1 1 A 104 104 HIS CB C 104 30.000 29.217 0.783 1 1 1345 . 16 1 1 A 104 104 HIS N N 104 119.000 118.405 0.595 1 1 1346 . 16 1 1 A 105 105 HIS H H 105 8.160 8.586 -0.426 1 1 1347 . 16 1 1 A 105 105 HIS HA H 105 4.380 4.588 -0.208 1 1 1350 . 16 1 1 A 105 105 HIS CA C 105 57.200 55.080 2.120 1 1 1351 . 16 1 1 A 105 105 HIS CB C 105 30.000 30.058 -0.058 1 1 1 . 17 1 1 A 3 3 PRO HA H 3 4.430 4.567 -0.137 1 1 8 . 17 1 1 A 3 3 PRO C C 3 175.600 176.252 -0.652 1 1 9 . 17 1 1 A 3 3 PRO CA C 3 62.510 62.481 0.029 1 1 10 . 17 1 1 A 3 3 PRO CB C 3 32.000 32.490 -0.490 1 1 13 . 17 1 1 A 4 4 GLN H H 4 8.580 8.470 0.110 1 1 14 . 17 1 1 A 4 4 GLN HA H 4 4.260 4.590 -0.330 1 1 21 . 17 1 1 A 4 4 GLN C C 4 176.900 175.025 1.875 1 1 22 . 17 1 1 A 4 4 GLN CA C 4 55.700 56.081 -0.381 1 1 23 . 17 1 1 A 4 4 GLN CB C 4 29.200 29.159 0.041 1 1 25 . 17 1 1 A 4 4 GLN N N 4 120.000 121.166 -1.166 1 1 27 . 17 1 1 A 5 5 LEU H H 5 8.920 9.039 -0.119 1 1 28 . 17 1 1 A 5 5 LEU HA H 5 4.660 4.983 -0.323 1 1 38 . 17 1 1 A 5 5 LEU C C 5 176.900 176.164 0.736 1 1 39 . 17 1 1 A 5 5 LEU CA C 5 54.700 53.877 0.823 1 1 40 . 17 1 1 A 5 5 LEU CB C 5 43.000 43.721 -0.721 1 1 44 . 17 1 1 A 5 5 LEU N N 5 128.500 126.768 1.732 1 1 45 . 17 1 1 A 6 6 THR H H 6 8.750 8.910 -0.160 1 1 46 . 17 1 1 A 6 6 THR HA H 6 4.530 5.063 -0.533 1 1 51 . 17 1 1 A 6 6 THR C C 6 173.700 173.867 -0.167 1 1 52 . 17 1 1 A 6 6 THR CA C 6 61.600 61.211 0.389 1 1 53 . 17 1 1 A 6 6 THR CB C 6 72.000 71.406 0.594 1 1 55 . 17 1 1 A 6 6 THR N N 6 121.000 121.218 -0.218 1 1 56 . 17 1 1 A 7 7 LYS H H 7 9.080 8.862 0.218 1 1 57 . 17 1 1 A 7 7 LYS HA H 7 4.430 4.523 -0.093 1 1 66 . 17 1 1 A 7 7 LYS C C 7 178.600 178.232 0.368 1 1 67 . 17 1 1 A 7 7 LYS CA C 7 54.300 54.570 -0.270 1 1 68 . 17 1 1 A 7 7 LYS CB C 7 32.300 33.903 -1.603 1 1 72 . 17 1 1 A 7 7 LYS N N 7 126.300 124.181 2.119 1 1 73 . 17 1 1 A 8 8 ILE H H 8 9.870 8.871 0.999 1 1 74 . 17 1 1 A 8 8 ILE HA H 8 3.240 3.743 -0.503 1 1 82 . 17 1 1 A 8 8 ILE C C 8 178.700 177.894 0.806 1 1 83 . 17 1 1 A 8 8 ILE CA C 8 66.800 65.322 1.478 1 1 84 . 17 1 1 A 8 8 ILE CB C 8 36.400 37.577 -1.177 1 1 87 . 17 1 1 A 8 8 ILE N N 8 124.700 122.903 1.797 1 1 88 . 17 1 1 A 9 9 VAL H H 9 8.340 8.036 0.304 1 1 89 . 17 1 1 A 9 9 VAL HA H 9 3.930 3.831 0.099 1 1 97 . 17 1 1 A 9 9 VAL C C 9 178.700 176.405 2.295 1 1 98 . 17 1 1 A 9 9 VAL CA C 9 63.300 64.477 -1.177 1 1 99 . 17 1 1 A 9 9 VAL CB C 9 31.700 31.524 0.176 1 1 102 . 17 1 1 A 9 9 VAL N N 9 119.500 120.416 -0.916 1 1 103 . 17 1 1 A 10 10 ASP H H 10 7.510 7.956 -0.446 1 1 104 . 17 1 1 A 10 10 ASP HA H 10 4.730 4.666 0.064 1 1 107 . 17 1 1 A 10 10 ASP C C 10 174.500 175.723 -1.223 1 1 108 . 17 1 1 A 10 10 ASP CA C 10 54.400 54.224 0.176 1 1 109 . 17 1 1 A 10 10 ASP CB C 10 41.100 41.465 -0.365 1 1 110 . 17 1 1 A 10 10 ASP N N 10 119.100 119.065 0.035 1 1 111 . 17 1 1 A 11 11 ILE H H 11 7.460 7.611 -0.151 1 1 112 . 17 1 1 A 11 11 ILE HA H 11 3.800 4.068 -0.268 1 1 122 . 17 1 1 A 11 11 ILE C C 11 174.900 176.383 -1.483 1 1 123 . 17 1 1 A 11 11 ILE CA C 11 62.100 60.763 1.337 1 1 124 . 17 1 1 A 11 11 ILE CB C 11 35.300 38.053 -2.753 1 1 128 . 17 1 1 A 11 11 ILE N N 11 124.200 120.590 3.610 1 1 129 . 17 1 1 A 12 12 VAL H H 12 8.530 8.606 -0.076 1 1 130 . 17 1 1 A 12 12 VAL HA H 12 4.260 4.059 0.201 1 1 138 . 17 1 1 A 12 12 VAL C C 12 174.900 175.064 -0.164 1 1 139 . 17 1 1 A 12 12 VAL CA C 12 60.600 61.090 -0.490 1 1 140 . 17 1 1 A 12 12 VAL CB C 12 35.400 33.968 1.432 1 1 143 . 17 1 1 A 12 12 VAL N N 12 118.400 118.778 -0.378 1 1 144 . 17 1 1 A 13 13 GLU H H 13 7.430 7.413 0.017 1 1 145 . 17 1 1 A 13 13 GLU HA H 13 4.590 5.041 -0.451 1 1 150 . 17 1 1 A 13 13 GLU C C 13 173.800 174.420 -0.620 1 1 151 . 17 1 1 A 13 13 GLU CA C 13 54.800 54.984 -0.184 1 1 152 . 17 1 1 A 13 13 GLU CB C 13 33.160 33.307 -0.147 1 1 154 . 17 1 1 A 13 13 GLU N N 13 120.100 122.719 -2.619 1 1 155 . 17 1 1 A 14 14 ASN H H 14 8.800 8.814 -0.014 1 1 156 . 17 1 1 A 14 14 ASN HA H 14 4.110 5.052 -0.942 1 1 161 . 17 1 1 A 14 14 ASN C C 14 176.600 175.671 0.929 1 1 162 . 17 1 1 A 14 14 ASN CA C 14 54.600 52.290 2.310 1 1 163 . 17 1 1 A 14 14 ASN CB C 14 38.900 39.549 -0.649 1 1 164 . 17 1 1 A 14 14 ASN N N 14 121.500 123.380 -1.880 1 1 166 . 17 1 1 A 15 15 GLY H H 15 8.620 9.331 -0.711 1 1 167 . 17 1 1 A 15 15 GLY HA2 H 15 3.460 3.691 -0.231 1 1 168 . 17 1 1 A 15 15 GLY HA3 H 15 4.110 3.786 0.324 1 1 169 . 17 1 1 A 15 15 GLY C C 15 173.100 173.303 -0.203 1 1 170 . 17 1 1 A 15 15 GLY CA C 15 45.300 45.704 -0.404 1 1 171 . 17 1 1 A 15 15 GLY N N 15 114.900 110.351 4.549 1 1 172 . 17 1 1 A 16 16 GLN H H 16 7.280 7.626 -0.346 1 1 173 . 17 1 1 A 16 16 GLN HA H 16 4.160 4.615 -0.455 1 1 180 . 17 1 1 A 16 16 GLN C C 16 174.400 174.736 -0.336 1 1 181 . 17 1 1 A 16 16 GLN CA C 16 56.300 54.489 1.811 1 1 182 . 17 1 1 A 16 16 GLN CB C 16 30.300 30.605 -0.305 1 1 184 . 17 1 1 A 16 16 GLN N N 16 121.500 119.986 1.514 1 1 186 . 17 1 1 A 17 17 TRP H H 17 8.640 8.937 -0.297 1 1 187 . 17 1 1 A 17 17 TRP HA H 17 5.400 5.368 0.032 1 1 196 . 17 1 1 A 17 17 TRP C C 17 176.900 176.259 0.641 1 1 197 . 17 1 1 A 17 17 TRP CA C 17 56.400 56.321 0.079 1 1 198 . 17 1 1 A 17 17 TRP CB C 17 30.300 30.718 -0.418 1 1 204 . 17 1 1 A 17 17 TRP N N 17 125.500 125.913 -0.413 1 1 206 . 17 1 1 A 18 18 ALA H H 18 9.020 8.793 0.227 1 1 207 . 17 1 1 A 18 18 ALA HA H 18 4.650 4.941 -0.291 1 1 211 . 17 1 1 A 18 18 ALA C C 18 174.100 175.136 -1.036 1 1 212 . 17 1 1 A 18 18 ALA CA C 18 51.430 51.270 0.160 1 1 213 . 17 1 1 A 18 18 ALA CB C 18 22.600 23.182 -0.582 1 1 214 . 17 1 1 A 18 18 ALA N N 18 124.000 123.242 0.758 1 1 215 . 17 1 1 A 19 19 ASN H H 19 8.250 8.235 0.015 1 1 216 . 17 1 1 A 19 19 ASN HA H 19 5.710 5.652 0.058 1 1 221 . 17 1 1 A 19 19 ASN C C 19 173.500 174.202 -0.702 1 1 222 . 17 1 1 A 19 19 ASN CA C 19 51.600 51.917 -0.317 1 1 223 . 17 1 1 A 19 19 ASN CB C 19 40.100 41.840 -1.740 1 1 224 . 17 1 1 A 19 19 ASN N N 19 116.500 116.565 -0.065 1 1 226 . 17 1 1 A 20 20 LEU H H 20 9.280 8.715 0.565 1 1 227 . 17 1 1 A 20 20 LEU HA H 20 4.930 5.045 -0.115 1 1 236 . 17 1 1 A 20 20 LEU C C 20 174.800 174.064 0.736 1 1 237 . 17 1 1 A 20 20 LEU CA C 20 54.200 54.054 0.146 1 1 238 . 17 1 1 A 20 20 LEU CB C 20 46.300 46.013 0.287 1 1 241 . 17 1 1 A 20 20 LEU N N 20 121.800 124.555 -2.755 1 1 242 . 17 1 1 A 21 21 LYS H H 21 8.550 9.045 -0.495 1 1 243 . 17 1 1 A 21 21 LYS HA H 21 5.450 5.256 0.194 1 1 252 . 17 1 1 A 21 21 LYS C C 21 174.800 175.087 -0.287 1 1 253 . 17 1 1 A 21 21 LYS CA C 21 55.350 54.821 0.529 1 1 254 . 17 1 1 A 21 21 LYS CB C 21 34.300 35.294 -0.994 1 1 258 . 17 1 1 A 21 21 LYS N N 21 122.500 128.607 -6.107 1 1 259 . 17 1 1 A 22 22 ALA H H 22 9.090 8.381 0.709 1 1 260 . 17 1 1 A 22 22 ALA HA H 22 4.830 4.773 0.057 1 1 264 . 17 1 1 A 22 22 ALA C C 22 173.800 174.988 -1.188 1 1 265 . 17 1 1 A 22 22 ALA CA C 22 51.300 51.000 0.300 1 1 266 . 17 1 1 A 22 22 ALA CB C 22 24.700 23.335 1.365 1 1 267 . 17 1 1 A 22 22 ALA N N 22 123.200 126.742 -3.542 1 1 268 . 17 1 1 A 23 23 LYS H H 23 9.190 8.317 0.873 1 1 269 . 17 1 1 A 23 23 LYS HA H 23 5.080 4.893 0.187 1 1 276 . 17 1 1 A 23 23 LYS C C 23 176.900 175.520 1.380 1 1 277 . 17 1 1 A 23 23 LYS CA C 23 54.100 54.798 -0.698 1 1 278 . 17 1 1 A 23 23 LYS CB C 23 35.800 33.903 1.897 1 1 281 . 17 1 1 A 23 23 LYS N N 23 121.100 120.411 0.689 1 1 282 . 17 1 1 A 24 24 VAL H H 24 8.620 8.645 -0.025 1 1 283 . 17 1 1 A 24 24 VAL HA H 24 4.110 4.267 -0.157 1 1 291 . 17 1 1 A 24 24 VAL C C 24 175.800 175.697 0.103 1 1 292 . 17 1 1 A 24 24 VAL CA C 24 62.750 62.568 0.182 1 1 293 . 17 1 1 A 24 24 VAL CB C 24 30.500 31.768 -1.268 1 1 296 . 17 1 1 A 24 24 VAL N N 24 125.600 125.872 -0.272 1 1 297 . 17 1 1 A 25 25 ILE H H 25 8.430 8.499 -0.069 1 1 298 . 17 1 1 A 25 25 ILE HA H 25 4.210 4.340 -0.130 1 1 308 . 17 1 1 A 25 25 ILE C C 25 176.700 175.877 0.823 1 1 309 . 17 1 1 A 25 25 ILE CA C 25 62.100 62.078 0.022 1 1 310 . 17 1 1 A 25 25 ILE CB C 25 38.300 39.254 -0.954 1 1 314 . 17 1 1 A 25 25 ILE N N 25 127.400 128.356 -0.956 1 1 315 . 17 1 1 A 26 26 GLN H H 26 7.590 7.629 -0.039 1 1 316 . 17 1 1 A 26 26 GLN HA H 26 4.560 4.606 -0.046 1 1 323 . 17 1 1 A 26 26 GLN C C 26 173.700 174.283 -0.583 1 1 324 . 17 1 1 A 26 26 GLN CA C 26 55.400 54.515 0.885 1 1 325 . 17 1 1 A 26 26 GLN CB C 26 34.100 32.249 1.851 1 1 327 . 17 1 1 A 26 26 GLN N N 26 117.100 119.150 -2.050 1 1 329 . 17 1 1 A 27 27 LEU H H 27 8.470 8.568 -0.098 1 1 330 . 17 1 1 A 27 27 LEU HA H 27 4.710 5.274 -0.564 1 1 340 . 17 1 1 A 27 27 LEU C C 27 176.200 175.242 0.958 1 1 341 . 17 1 1 A 27 27 LEU CA C 27 54.100 52.917 1.183 1 1 342 . 17 1 1 A 27 27 LEU CB C 27 44.000 46.077 -2.077 1 1 346 . 17 1 1 A 27 27 LEU N N 27 123.600 119.722 3.878 1 1 347 . 17 1 1 A 28 28 TRP H H 28 8.850 8.710 0.140 1 1 348 . 17 1 1 A 28 28 TRP HA H 28 5.180 5.140 0.040 1 1 357 . 17 1 1 A 28 28 TRP C C 28 175.900 175.521 0.379 1 1 358 . 17 1 1 A 28 28 TRP CA C 28 53.300 55.760 -2.460 1 1 359 . 17 1 1 A 28 28 TRP CB C 28 31.400 31.850 -0.450 1 1 365 . 17 1 1 A 28 28 TRP N N 28 123.900 119.471 4.429 1 1 367 . 17 1 1 A 29 29 GLU H H 29 8.620 8.923 -0.303 1 1 368 . 17 1 1 A 29 29 GLU HA H 29 4.250 4.582 -0.332 1 1 373 . 17 1 1 A 29 29 GLU C C 29 175.700 175.882 -0.182 1 1 374 . 17 1 1 A 29 29 GLU CA C 29 56.800 57.165 -0.365 1 1 375 . 17 1 1 A 29 29 GLU CB C 29 30.000 30.203 -0.203 1 1 377 . 17 1 1 A 29 29 GLU N N 29 120.700 125.239 -4.539 1 1 378 . 17 1 1 A 30 30 ASN H H 30 8.720 8.293 0.427 1 1 379 . 17 1 1 A 30 30 ASN HA H 30 4.870 5.230 -0.360 1 1 384 . 17 1 1 A 30 30 ASN C C 30 174.800 176.152 -1.352 1 1 385 . 17 1 1 A 30 30 ASN CA C 30 53.800 52.625 1.175 1 1 386 . 17 1 1 A 30 30 ASN CB C 30 41.200 41.184 0.016 1 1 387 . 17 1 1 A 30 30 ASN N N 30 121.400 125.260 -3.860 1 1 389 . 17 1 1 A 31 31 THR H H 31 8.300 8.458 -0.158 1 1 390 . 17 1 1 A 31 31 THR HA H 31 4.430 4.735 -0.305 1 1 395 . 17 1 1 A 31 31 THR C C 31 174.200 175.342 -1.142 1 1 396 . 17 1 1 A 31 31 THR CA C 31 61.000 61.100 -0.100 1 1 397 . 17 1 1 A 31 31 THR CB C 31 69.600 69.685 -0.085 1 1 399 . 17 1 1 A 31 31 THR N N 31 114.200 115.756 -1.556 1 1 400 . 17 1 1 A 32 32 HIS H H 32 7.840 8.491 -0.651 1 1 401 . 17 1 1 A 32 32 HIS HA H 32 4.560 4.436 0.124 1 1 405 . 17 1 1 A 32 32 HIS C C 32 177.300 175.170 2.130 1 1 406 . 17 1 1 A 32 32 HIS CA C 32 57.600 58.459 -0.859 1 1 407 . 17 1 1 A 32 32 HIS CB C 32 32.000 30.155 1.845 1 1 409 . 17 1 1 A 32 32 HIS N N 32 122.500 121.723 0.777 1 1 410 . 17 1 1 A 33 33 GLU H H 33 9.020 8.147 0.873 1 1 411 . 17 1 1 A 33 33 GLU HA H 33 4.120 4.152 -0.032 1 1 416 . 17 1 1 A 33 33 GLU C C 33 177.100 176.854 0.246 1 1 417 . 17 1 1 A 33 33 GLU CA C 33 59.000 58.370 0.630 1 1 418 . 17 1 1 A 33 33 GLU CB C 33 29.400 29.460 -0.060 1 1 420 . 17 1 1 A 33 33 GLU N N 33 127.300 119.203 8.097 1 1 421 . 17 1 1 A 34 34 SER H H 34 9.430 8.861 0.569 1 1 422 . 17 1 1 A 34 34 SER HA H 34 4.580 4.334 0.246 1 1 425 . 17 1 1 A 34 34 SER C C 34 174.800 174.146 0.654 1 1 426 . 17 1 1 A 34 34 SER CA C 34 59.500 61.478 -1.978 1 1 427 . 17 1 1 A 34 34 SER CB C 34 63.600 63.313 0.287 1 1 428 . 17 1 1 A 34 34 SER N N 34 113.400 113.863 -0.463 1 1 429 . 17 1 1 A 35 35 ILE H H 35 7.920 8.237 -0.317 1 1 430 . 17 1 1 A 35 35 ILE HA H 35 4.080 4.295 -0.215 1 1 440 . 17 1 1 A 35 35 ILE C C 35 174.300 175.644 -1.344 1 1 441 . 17 1 1 A 35 35 ILE CA C 35 61.600 60.081 1.519 1 1 442 . 17 1 1 A 35 35 ILE CB C 35 40.700 39.130 1.570 1 1 446 . 17 1 1 A 35 35 ILE N N 35 125.800 119.201 6.599 1 1 447 . 17 1 1 A 36 36 SER H H 36 9.010 8.767 0.243 1 1 448 . 17 1 1 A 36 36 SER HA H 36 4.480 4.437 0.043 1 1 451 . 17 1 1 A 36 36 SER C C 36 174.900 173.668 1.232 1 1 452 . 17 1 1 A 36 36 SER CA C 36 58.800 60.329 -1.529 1 1 453 . 17 1 1 A 36 36 SER CB C 36 64.300 63.084 1.216 1 1 454 . 17 1 1 A 36 36 SER N N 36 119.100 122.264 -3.164 1 1 455 . 17 1 1 A 37 37 GLN H H 37 7.390 7.291 0.099 1 1 456 . 17 1 1 A 37 37 GLN HA H 37 4.690 4.628 0.062 1 1 463 . 17 1 1 A 37 37 GLN C C 37 171.800 173.809 -2.009 1 1 464 . 17 1 1 A 37 37 GLN CA C 37 54.900 55.151 -0.251 1 1 465 . 17 1 1 A 37 37 GLN CB C 37 36.200 32.252 3.948 1 1 466 . 17 1 1 A 37 37 GLN N N 37 116.500 118.699 -2.199 1 1 468 . 17 1 1 A 38 38 VAL H H 38 8.640 8.190 0.450 1 1 469 . 17 1 1 A 38 38 VAL HA H 38 4.160 4.534 -0.374 1 1 477 . 17 1 1 A 38 38 VAL C C 38 172.400 174.480 -2.080 1 1 478 . 17 1 1 A 38 38 VAL CA C 38 58.500 59.244 -0.744 1 1 479 . 17 1 1 A 38 38 VAL CB C 38 35.300 35.355 -0.055 1 1 482 . 17 1 1 A 38 38 VAL N N 38 120.400 118.932 1.468 1 1 483 . 17 1 1 A 39 39 GLY H H 39 6.440 7.511 -1.071 1 1 484 . 17 1 1 A 39 39 GLY HA2 H 39 3.690 4.294 -0.604 1 1 485 . 17 1 1 A 39 39 GLY HA3 H 39 1.940 4.390 -2.450 1 1 486 . 17 1 1 A 39 39 GLY C C 39 170.600 171.459 -0.859 1 1 487 . 17 1 1 A 39 39 GLY CA C 39 45.300 46.280 -0.980 1 1 488 . 17 1 1 A 39 39 GLY N N 39 109.600 108.806 0.794 1 1 489 . 17 1 1 A 40 40 LEU H H 40 8.380 8.723 -0.343 1 1 490 . 17 1 1 A 40 40 LEU HA H 40 4.980 5.312 -0.332 1 1 499 . 17 1 1 A 40 40 LEU C C 40 176.000 174.398 1.602 1 1 500 . 17 1 1 A 40 40 LEU CA C 40 53.200 53.556 -0.356 1 1 501 . 17 1 1 A 40 40 LEU CB C 40 47.400 46.665 0.735 1 1 504 . 17 1 1 A 40 40 LEU N N 40 119.500 121.936 -2.436 1 1 505 . 17 1 1 A 41 41 LEU H H 41 9.410 9.132 0.278 1 1 506 . 17 1 1 A 41 41 LEU HA H 41 5.320 5.112 0.208 1 1 516 . 17 1 1 A 41 41 LEU C C 41 176.700 175.583 1.117 1 1 517 . 17 1 1 A 41 41 LEU CA C 41 52.400 52.966 -0.566 1 1 518 . 17 1 1 A 41 41 LEU CB C 41 44.900 43.632 1.268 1 1 522 . 17 1 1 A 41 41 LEU N N 41 122.700 126.994 -4.294 1 1 523 . 17 1 1 A 42 42 GLY H H 42 9.210 9.834 -0.624 1 1 524 . 17 1 1 A 42 42 GLY HA2 H 42 3.550 4.052 -0.502 1 1 525 . 17 1 1 A 42 42 GLY HA3 H 42 5.350 4.054 1.296 1 1 526 . 17 1 1 A 42 42 GLY C C 42 171.200 171.920 -0.720 1 1 527 . 17 1 1 A 42 42 GLY CA C 42 45.700 45.549 0.151 1 1 528 . 17 1 1 A 42 42 GLY N N 42 104.600 112.350 -7.750 1 1 529 . 17 1 1 A 43 43 ASP H H 43 8.960 8.682 0.278 1 1 530 . 17 1 1 A 43 43 ASP HA H 43 4.640 5.044 -0.404 1 1 533 . 17 1 1 A 43 43 ASP C C 43 175.600 176.501 -0.901 1 1 534 . 17 1 1 A 43 43 ASP CA C 43 52.700 52.730 -0.030 1 1 535 . 17 1 1 A 43 43 ASP CB C 43 41.600 43.177 -1.577 1 1 536 . 17 1 1 A 43 43 ASP N N 43 121.900 125.831 -3.931 1 1 537 . 17 1 1 A 44 44 GLU H H 44 10.150 8.820 1.330 1 1 538 . 17 1 1 A 44 44 GLU HA H 44 4.380 4.062 0.318 1 1 543 . 17 1 1 A 44 44 GLU C C 44 176.900 177.617 -0.717 1 1 544 . 17 1 1 A 44 44 GLU CA C 44 59.300 59.286 0.014 1 1 545 . 17 1 1 A 44 44 GLU CB C 44 28.100 29.335 -1.235 1 1 547 . 17 1 1 A 44 44 GLU N N 44 118.000 123.839 -5.839 1 1 548 . 17 1 1 A 45 45 THR H H 45 9.600 7.677 1.923 1 1 549 . 17 1 1 A 45 45 THR HA H 45 4.580 4.425 0.155 1 1 554 . 17 1 1 A 45 45 THR C C 45 174.800 173.864 0.936 1 1 555 . 17 1 1 A 45 45 THR CA C 45 61.700 62.508 -0.808 1 1 556 . 17 1 1 A 45 45 THR CB C 45 70.000 69.381 0.619 1 1 558 . 17 1 1 A 45 45 THR N N 45 112.000 108.818 3.182 1 1 559 . 17 1 1 A 46 46 GLY H H 46 7.640 7.200 0.440 1 1 560 . 17 1 1 A 46 46 GLY HA2 H 46 3.830 4.101 -0.271 1 1 561 . 17 1 1 A 46 46 GLY HA3 H 46 4.000 4.104 -0.104 1 1 562 . 17 1 1 A 46 46 GLY C C 46 169.400 171.416 -2.016 1 1 563 . 17 1 1 A 46 46 GLY CA C 46 46.000 45.246 0.754 1 1 564 . 17 1 1 A 46 46 GLY N N 46 110.600 107.780 2.820 1 1 565 . 17 1 1 A 47 47 ILE H H 47 8.000 8.499 -0.499 1 1 566 . 17 1 1 A 47 47 ILE HA H 47 5.450 5.336 0.114 1 1 576 . 17 1 1 A 47 47 ILE C C 47 175.200 174.116 1.084 1 1 577 . 17 1 1 A 47 47 ILE CA C 47 59.100 58.485 0.615 1 1 578 . 17 1 1 A 47 47 ILE CB C 47 42.400 42.526 -0.126 1 1 582 . 17 1 1 A 47 47 ILE N N 47 113.900 118.565 -4.665 1 1 583 . 17 1 1 A 48 48 ILE H H 48 9.340 8.434 0.906 1 1 584 . 17 1 1 A 48 48 ILE HA H 48 4.640 4.763 -0.123 1 1 594 . 17 1 1 A 48 48 ILE C C 48 171.500 173.051 -1.551 1 1 595 . 17 1 1 A 48 48 ILE CA C 48 60.600 59.267 1.333 1 1 596 . 17 1 1 A 48 48 ILE CB C 48 42.000 41.627 0.373 1 1 600 . 17 1 1 A 48 48 ILE N N 48 123.600 121.971 1.629 1 1 601 . 17 1 1 A 49 49 LYS H H 49 8.350 8.865 -0.515 1 1 602 . 17 1 1 A 49 49 LYS HA H 49 4.820 5.021 -0.201 1 1 611 . 17 1 1 A 49 49 LYS C C 49 174.700 175.972 -1.272 1 1 612 . 17 1 1 A 49 49 LYS CA C 49 56.400 55.503 0.897 1 1 613 . 17 1 1 A 49 49 LYS CB C 49 33.800 33.667 0.133 1 1 617 . 17 1 1 A 49 49 LYS N N 49 129.100 129.578 -0.478 1 1 618 . 17 1 1 A 50 50 PHE H H 50 8.570 8.643 -0.073 1 1 619 . 17 1 1 A 50 50 PHE HA H 50 5.820 5.584 0.236 1 1 627 . 17 1 1 A 50 50 PHE C C 50 172.100 172.283 -0.183 1 1 628 . 17 1 1 A 50 50 PHE CA C 50 54.800 56.009 -1.209 1 1 629 . 17 1 1 A 50 50 PHE CB C 50 43.900 43.005 0.895 1 1 635 . 17 1 1 A 50 50 PHE N N 50 122.700 121.022 1.678 1 1 636 . 17 1 1 A 51 51 THR H H 51 8.190 8.723 -0.533 1 1 637 . 17 1 1 A 51 51 THR HA H 51 4.320 4.699 -0.379 1 1 642 . 17 1 1 A 51 51 THR C C 51 172.900 172.561 0.339 1 1 643 . 17 1 1 A 51 51 THR CA C 51 61.700 59.610 2.090 1 1 644 . 17 1 1 A 51 51 THR CB C 51 72.500 71.119 1.381 1 1 646 . 17 1 1 A 51 51 THR N N 51 114.400 114.049 0.351 1 1 647 . 17 1 1 A 52 52 ILE H H 52 8.880 9.129 -0.249 1 1 648 . 17 1 1 A 52 52 ILE HA H 52 4.650 4.617 0.033 1 1 658 . 17 1 1 A 52 52 ILE C C 52 176.000 175.089 0.911 1 1 659 . 17 1 1 A 52 52 ILE CA C 52 60.500 60.167 0.333 1 1 660 . 17 1 1 A 52 52 ILE CB C 52 38.900 39.609 -0.709 1 1 664 . 17 1 1 A 52 52 ILE N N 52 123.400 126.930 -3.530 1 1 665 . 17 1 1 A 53 53 TRP H H 53 8.020 8.616 -0.596 1 1 666 . 17 1 1 A 53 53 TRP HA H 53 4.740 4.839 -0.099 1 1 675 . 17 1 1 A 53 53 TRP C C 53 177.500 177.492 0.008 1 1 676 . 17 1 1 A 53 53 TRP CA C 53 57.700 57.363 0.337 1 1 677 . 17 1 1 A 53 53 TRP CB C 53 30.400 30.422 -0.022 1 1 683 . 17 1 1 A 53 53 TRP N N 53 129.500 128.785 0.715 1 1 685 . 17 1 1 A 54 54 LYS H H 54 8.980 9.023 -0.043 1 1 686 . 17 1 1 A 54 54 LYS HA H 54 4.100 3.978 0.122 1 1 695 . 17 1 1 A 54 54 LYS C C 54 177.700 178.534 -0.834 1 1 696 . 17 1 1 A 54 54 LYS CA C 54 59.400 59.654 -0.254 1 1 697 . 17 1 1 A 54 54 LYS CB C 54 32.400 32.160 0.240 1 1 701 . 17 1 1 A 54 54 LYS N N 54 125.500 124.730 0.770 1 1 702 . 17 1 1 A 55 55 ASN H H 55 8.600 8.329 0.271 1 1 703 . 17 1 1 A 55 55 ASN HA H 55 4.510 4.593 -0.083 1 1 708 . 17 1 1 A 55 55 ASN C C 55 175.300 176.914 -1.614 1 1 709 . 17 1 1 A 55 55 ASN CA C 55 53.700 55.212 -1.512 1 1 710 . 17 1 1 A 55 55 ASN CB C 55 37.100 38.324 -1.224 1 1 711 . 17 1 1 A 55 55 ASN N N 55 115.400 117.464 -2.064 1 1 713 . 17 1 1 A 56 56 ALA H H 56 7.630 7.860 -0.230 1 1 714 . 17 1 1 A 56 56 ALA HA H 56 3.970 4.356 -0.386 1 1 718 . 17 1 1 A 56 56 ALA C C 56 176.100 176.933 -0.833 1 1 719 . 17 1 1 A 56 56 ALA CA C 56 53.500 52.894 0.606 1 1 720 . 17 1 1 A 56 56 ALA CB C 56 18.400 19.632 -1.232 1 1 721 . 17 1 1 A 56 56 ALA N N 56 121.200 120.474 0.726 1 1 722 . 17 1 1 A 57 57 GLU H H 57 7.880 8.092 -0.212 1 1 723 . 17 1 1 A 57 57 GLU HA H 57 3.940 3.870 0.070 1 1 728 . 17 1 1 A 57 57 GLU C C 57 175.400 175.094 0.306 1 1 729 . 17 1 1 A 57 57 GLU CA C 57 56.700 57.335 -0.635 1 1 730 . 17 1 1 A 57 57 GLU CB C 57 27.300 27.405 -0.105 1 1 732 . 17 1 1 A 57 57 GLU N N 57 112.500 114.929 -2.429 1 1 733 . 17 1 1 A 58 58 LEU H H 58 7.910 7.890 0.020 1 1 734 . 17 1 1 A 58 58 LEU HA H 58 4.740 4.751 -0.011 1 1 744 . 17 1 1 A 58 58 LEU C C 58 175.400 174.450 0.950 1 1 745 . 17 1 1 A 58 58 LEU CA C 58 52.300 52.203 0.097 1 1 746 . 17 1 1 A 58 58 LEU CB C 58 42.900 42.131 0.769 1 1 750 . 17 1 1 A 58 58 LEU N N 58 120.000 120.681 -0.681 1 1 751 . 17 1 1 A 59 59 PRO HA H 59 4.380 4.498 -0.118 1 1 758 . 17 1 1 A 59 59 PRO CA C 59 62.200 63.018 -0.818 1 1 759 . 17 1 1 A 59 59 PRO CB C 59 32.000 31.923 0.077 1 1 762 . 17 1 1 A 60 60 LEU H H 60 7.860 8.229 -0.369 1 1 763 . 17 1 1 A 60 60 LEU HA H 60 3.920 4.426 -0.506 1 1 773 . 17 1 1 A 60 60 LEU C C 60 178.300 177.087 1.213 1 1 774 . 17 1 1 A 60 60 LEU CA C 60 55.000 54.762 0.238 1 1 775 . 17 1 1 A 60 60 LEU CB C 60 41.800 42.608 -0.808 1 1 779 . 17 1 1 A 60 60 LEU N N 60 117.500 123.894 -6.394 1 1 780 . 17 1 1 A 61 61 LEU H H 61 9.680 7.905 1.775 1 1 781 . 17 1 1 A 61 61 LEU HA H 61 4.040 3.969 0.071 1 1 791 . 17 1 1 A 61 61 LEU C C 61 177.300 176.723 0.577 1 1 792 . 17 1 1 A 61 61 LEU CA C 61 54.100 54.067 0.033 1 1 793 . 17 1 1 A 61 61 LEU CB C 61 41.300 41.982 -0.682 1 1 797 . 17 1 1 A 61 61 LEU N N 61 122.300 124.742 -2.442 1 1 798 . 17 1 1 A 62 62 GLU H H 62 8.390 8.768 -0.378 1 1 799 . 17 1 1 A 62 62 GLU HA H 62 4.430 4.665 -0.235 1 1 804 . 17 1 1 A 62 62 GLU C C 62 175.600 175.983 -0.383 1 1 805 . 17 1 1 A 62 62 GLU CA C 62 54.800 54.688 0.112 1 1 806 . 17 1 1 A 62 62 GLU CB C 62 32.200 32.077 0.123 1 1 808 . 17 1 1 A 62 62 GLU N N 62 120.500 122.601 -2.101 1 1 809 . 17 1 1 A 63 63 GLN H H 63 8.780 8.687 0.093 1 1 810 . 17 1 1 A 63 63 GLN HA H 63 3.700 4.051 -0.351 1 1 817 . 17 1 1 A 63 63 GLN C C 63 176.600 176.755 -0.155 1 1 818 . 17 1 1 A 63 63 GLN CA C 63 58.100 57.557 0.543 1 1 819 . 17 1 1 A 63 63 GLN CB C 63 28.300 28.683 -0.383 1 1 821 . 17 1 1 A 63 63 GLN N N 63 123.300 123.536 -0.236 1 1 823 . 17 1 1 A 64 64 GLY H H 64 9.140 9.144 -0.004 1 1 824 . 17 1 1 A 64 64 GLY HA2 H 64 3.580 4.008 -0.428 1 1 825 . 17 1 1 A 64 64 GLY HA3 H 64 4.390 4.009 0.381 1 1 826 . 17 1 1 A 64 64 GLY C C 64 173.900 174.471 -0.571 1 1 827 . 17 1 1 A 64 64 GLY CA C 64 45.300 45.030 0.270 1 1 828 . 17 1 1 A 64 64 GLY N N 64 115.100 114.878 0.222 1 1 829 . 17 1 1 A 65 65 GLU H H 65 7.590 7.462 0.128 1 1 830 . 17 1 1 A 65 65 GLU HA H 65 4.490 4.623 -0.133 1 1 835 . 17 1 1 A 65 65 GLU C C 65 174.200 176.165 -1.965 1 1 836 . 17 1 1 A 65 65 GLU CA C 65 54.900 54.851 0.049 1 1 837 . 17 1 1 A 65 65 GLU CB C 65 30.500 31.190 -0.690 1 1 839 . 17 1 1 A 65 65 GLU N N 65 120.300 120.629 -0.329 1 1 840 . 17 1 1 A 66 66 SER H H 66 8.700 8.550 0.150 1 1 841 . 17 1 1 A 66 66 SER HA H 66 5.330 4.886 0.444 1 1 844 . 17 1 1 A 66 66 SER C C 66 174.100 173.055 1.045 1 1 845 . 17 1 1 A 66 66 SER CA C 66 58.300 57.984 0.316 1 1 846 . 17 1 1 A 66 66 SER CB C 66 65.500 64.492 1.008 1 1 847 . 17 1 1 A 66 66 SER N N 66 116.500 118.482 -1.982 1 1 848 . 17 1 1 A 67 67 TYR H H 67 9.090 8.706 0.384 1 1 849 . 17 1 1 A 67 67 TYR HA H 67 5.110 5.025 0.085 1 1 856 . 17 1 1 A 67 67 TYR C C 67 173.900 174.282 -0.382 1 1 857 . 17 1 1 A 67 67 TYR CA C 67 57.500 56.245 1.255 1 1 858 . 17 1 1 A 67 67 TYR CB C 67 43.900 43.058 0.842 1 1 863 . 17 1 1 A 67 67 TYR N N 67 119.000 121.718 -2.718 1 1 864 . 17 1 1 A 68 68 LEU H H 68 9.230 8.975 0.255 1 1 865 . 17 1 1 A 68 68 LEU HA H 68 5.000 5.130 -0.130 1 1 875 . 17 1 1 A 68 68 LEU C C 68 175.300 174.544 0.756 1 1 876 . 17 1 1 A 68 68 LEU CA C 68 54.300 53.836 0.464 1 1 877 . 17 1 1 A 68 68 LEU CB C 68 43.800 45.113 -1.313 1 1 881 . 17 1 1 A 68 68 LEU N N 68 121.800 124.756 -2.956 1 1 882 . 17 1 1 A 69 69 LEU H H 69 9.460 8.990 0.470 1 1 883 . 17 1 1 A 69 69 LEU HA H 69 5.010 5.101 -0.091 1 1 893 . 17 1 1 A 69 69 LEU C C 69 175.000 175.842 -0.842 1 1 894 . 17 1 1 A 69 69 LEU CA C 69 54.100 53.246 0.854 1 1 895 . 17 1 1 A 69 69 LEU CB C 69 42.300 43.398 -1.098 1 1 899 . 17 1 1 A 69 69 LEU N N 69 128.500 128.267 0.233 1 1 900 . 17 1 1 A 70 70 ARG H H 70 8.910 8.586 0.324 1 1 901 . 17 1 1 A 70 70 ARG HA H 70 4.850 4.864 -0.014 1 1 909 . 17 1 1 A 70 70 ARG C C 70 176.400 176.317 0.083 1 1 910 . 17 1 1 A 70 70 ARG CA C 70 54.900 54.212 0.688 1 1 911 . 17 1 1 A 70 70 ARG CB C 70 32.300 33.545 -1.245 1 1 914 . 17 1 1 A 70 70 ARG N N 70 121.500 123.628 -2.128 1 1 916 . 17 1 1 A 71 71 SER H H 71 8.800 9.044 -0.244 1 1 917 . 17 1 1 A 71 71 SER HA H 71 3.870 4.186 -0.316 1 1 920 . 17 1 1 A 71 71 SER C C 71 175.800 173.414 2.386 1 1 921 . 17 1 1 A 71 71 SER CA C 71 58.600 59.170 -0.570 1 1 922 . 17 1 1 A 71 71 SER CB C 71 62.000 61.738 0.262 1 1 923 . 17 1 1 A 71 71 SER N N 71 114.400 117.678 -3.278 1 1 924 . 17 1 1 A 72 72 VAL H H 72 8.750 7.553 1.197 1 1 925 . 17 1 1 A 72 72 VAL HA H 72 4.610 4.999 -0.389 1 1 933 . 17 1 1 A 72 72 VAL C C 72 173.300 174.019 -0.719 1 1 934 . 17 1 1 A 72 72 VAL CA C 72 59.300 59.636 -0.336 1 1 935 . 17 1 1 A 72 72 VAL CB C 72 31.900 34.677 -2.777 1 1 938 . 17 1 1 A 72 72 VAL N N 72 115.500 115.393 0.107 1 1 939 . 17 1 1 A 73 73 VAL H H 73 7.940 8.364 -0.424 1 1 940 . 17 1 1 A 73 73 VAL HA H 73 4.760 4.805 -0.045 1 1 948 . 17 1 1 A 73 73 VAL C C 73 174.300 173.598 0.702 1 1 949 . 17 1 1 A 73 73 VAL CA C 73 58.800 59.326 -0.526 1 1 950 . 17 1 1 A 73 73 VAL CB C 73 34.500 34.732 -0.232 1 1 953 . 17 1 1 A 73 73 VAL N N 73 118.200 121.367 -3.167 1 1 954 . 17 1 1 A 74 74 VAL H H 74 8.430 8.277 0.153 1 1 955 . 17 1 1 A 74 74 VAL HA H 74 4.560 4.502 0.058 1 1 963 . 17 1 1 A 74 74 VAL C C 74 177.300 175.744 1.556 1 1 964 . 17 1 1 A 74 74 VAL CA C 74 62.100 60.989 1.111 1 1 965 . 17 1 1 A 74 74 VAL CB C 74 32.700 32.294 0.406 1 1 968 . 17 1 1 A 74 74 VAL N N 74 127.800 127.708 0.092 1 1 969 . 17 1 1 A 75 75 GLY H H 75 9.040 9.328 -0.288 1 1 970 . 17 1 1 A 75 75 GLY HA2 H 75 3.750 4.305 -0.555 1 1 971 . 17 1 1 A 75 75 GLY HA3 H 75 5.120 4.342 0.778 1 1 972 . 17 1 1 A 75 75 GLY C C 75 172.500 171.845 0.655 1 1 973 . 17 1 1 A 75 75 GLY CA C 75 43.700 44.010 -0.310 1 1 974 . 17 1 1 A 75 75 GLY N N 75 116.000 115.494 0.506 1 1 975 . 17 1 1 A 76 76 GLU H H 76 8.380 8.627 -0.247 1 1 976 . 17 1 1 A 76 76 GLU HA H 76 4.690 4.641 0.049 1 1 981 . 17 1 1 A 76 76 GLU C C 76 176.000 174.704 1.296 1 1 982 . 17 1 1 A 76 76 GLU CA C 76 56.100 55.202 0.898 1 1 983 . 17 1 1 A 76 76 GLU CB C 76 32.000 30.359 1.641 1 1 985 . 17 1 1 A 76 76 GLU N N 76 120.200 122.501 -2.301 1 1 986 . 17 1 1 A 77 77 TYR H H 77 8.430 8.595 -0.165 1 1 987 . 17 1 1 A 77 77 TYR HA H 77 4.570 4.953 -0.383 1 1 994 . 17 1 1 A 77 77 TYR C C 77 174.200 175.186 -0.986 1 1 995 . 17 1 1 A 77 77 TYR CA C 77 56.500 57.455 -0.955 1 1 996 . 17 1 1 A 77 77 TYR CB C 77 39.800 40.414 -0.614 1 1 1001 . 17 1 1 A 77 77 TYR N N 77 124.400 129.657 -5.257 1 1 1002 . 17 1 1 A 78 78 ASN H H 78 9.100 8.750 0.350 1 1 1003 . 17 1 1 A 78 78 ASN HA H 78 4.000 4.141 -0.141 1 1 1008 . 17 1 1 A 78 78 ASN C C 78 177.300 175.571 1.729 1 1 1009 . 17 1 1 A 78 78 ASN CA C 78 54.700 55.108 -0.408 1 1 1010 . 17 1 1 A 78 78 ASN CB C 78 36.600 37.120 -0.520 1 1 1011 . 17 1 1 A 78 78 ASN N N 78 125.800 123.805 1.995 1 1 1013 . 17 1 1 A 79 79 ASP H H 79 8.640 8.377 0.263 1 1 1014 . 17 1 1 A 79 79 ASP HA H 79 4.240 4.570 -0.330 1 1 1017 . 17 1 1 A 79 79 ASP C C 79 174.600 175.356 -0.756 1 1 1018 . 17 1 1 A 79 79 ASP CA C 79 54.900 54.844 0.056 1 1 1019 . 17 1 1 A 79 79 ASP CB C 79 39.700 41.488 -1.788 1 1 1020 . 17 1 1 A 79 79 ASP N N 79 115.700 124.027 -8.327 1 1 1021 . 17 1 1 A 80 80 ARG H H 80 7.880 7.392 0.488 1 1 1022 . 17 1 1 A 80 80 ARG HA H 80 4.370 4.786 -0.416 1 1 1030 . 17 1 1 A 80 80 ARG C C 80 175.000 175.535 -0.535 1 1 1031 . 17 1 1 A 80 80 ARG CA C 80 54.200 54.998 -0.798 1 1 1032 . 17 1 1 A 80 80 ARG CB C 80 31.800 32.407 -0.607 1 1 1035 . 17 1 1 A 80 80 ARG N N 80 119.700 121.057 -1.357 1 1 1037 . 17 1 1 A 81 81 PHE H H 81 8.410 8.674 -0.264 1 1 1038 . 17 1 1 A 81 81 PHE HA H 81 5.420 4.804 0.616 1 1 1046 . 17 1 1 A 81 81 PHE C C 81 174.400 175.224 -0.824 1 1 1047 . 17 1 1 A 81 81 PHE CA C 81 57.200 58.530 -1.330 1 1 1048 . 17 1 1 A 81 81 PHE CB C 81 42.000 40.280 1.720 1 1 1054 . 17 1 1 A 81 81 PHE N N 81 120.700 125.278 -4.578 1 1 1055 . 17 1 1 A 82 82 GLN H H 82 8.950 8.981 -0.031 1 1 1056 . 17 1 1 A 82 82 GLN HA H 82 5.110 4.935 0.175 1 1 1063 . 17 1 1 A 82 82 GLN C C 82 172.400 174.030 -1.630 1 1 1064 . 17 1 1 A 82 82 GLN CA C 82 53.500 54.738 -1.238 1 1 1065 . 17 1 1 A 82 82 GLN CB C 82 31.900 33.041 -1.141 1 1 1067 . 17 1 1 A 82 82 GLN N N 82 115.000 120.472 -5.472 1 1 1069 . 17 1 1 A 83 83 VAL H H 83 9.090 8.494 0.596 1 1 1070 . 17 1 1 A 83 83 VAL HA H 83 4.380 4.759 -0.379 1 1 1078 . 17 1 1 A 83 83 VAL C C 83 174.600 174.677 -0.077 1 1 1079 . 17 1 1 A 83 83 VAL CA C 83 61.600 61.673 -0.073 1 1 1080 . 17 1 1 A 83 83 VAL CB C 83 33.500 33.017 0.483 1 1 1083 . 17 1 1 A 83 83 VAL N N 83 118.900 125.634 -6.734 1 1 1084 . 17 1 1 A 84 84 GLN H H 84 9.280 8.748 0.532 1 1 1085 . 17 1 1 A 84 84 GLN HA H 84 5.020 5.001 0.019 1 1 1092 . 17 1 1 A 84 84 GLN C C 84 174.500 174.653 -0.153 1 1 1093 . 17 1 1 A 84 84 GLN CA C 84 54.400 54.824 -0.424 1 1 1094 . 17 1 1 A 84 84 GLN CB C 84 29.900 30.744 -0.844 1 1 1096 . 17 1 1 A 84 84 GLN N N 84 124.800 127.181 -2.381 1 1 1098 . 17 1 1 A 85 85 VAL H H 85 8.680 8.855 -0.175 1 1 1099 . 17 1 1 A 85 85 VAL HA H 85 4.300 4.961 -0.661 1 1 1107 . 17 1 1 A 85 85 VAL C C 85 174.500 175.482 -0.982 1 1 1108 . 17 1 1 A 85 85 VAL CA C 85 61.700 61.247 0.453 1 1 1109 . 17 1 1 A 85 85 VAL CB C 85 31.700 33.083 -1.383 1 1 1112 . 17 1 1 A 85 85 VAL N N 85 125.500 125.470 0.030 1 1 1113 . 17 1 1 A 86 86 ASN H H 86 8.740 8.492 0.248 1 1 1114 . 17 1 1 A 86 86 ASN HA H 86 5.240 5.334 -0.094 1 1 1119 . 17 1 1 A 86 86 ASN C C 86 175.300 175.045 0.255 1 1 1120 . 17 1 1 A 86 86 ASN CA C 86 51.800 51.492 0.308 1 1 1121 . 17 1 1 A 86 86 ASN CB C 86 42.400 42.803 -0.403 1 1 1122 . 17 1 1 A 86 86 ASN N N 86 124.000 124.159 -0.159 1 1 1124 . 17 1 1 A 87 87 LYS H H 87 8.530 8.593 -0.063 1 1 1125 . 17 1 1 A 87 87 LYS HA H 87 4.210 4.081 0.129 1 1 1134 . 17 1 1 A 87 87 LYS C C 87 176.700 177.233 -0.533 1 1 1135 . 17 1 1 A 87 87 LYS CA C 87 59.000 56.439 2.561 1 1 1136 . 17 1 1 A 87 87 LYS CB C 87 32.400 33.251 -0.851 1 1 1140 . 17 1 1 A 87 87 LYS N N 87 117.600 119.702 -2.102 1 1 1141 . 17 1 1 A 88 88 ASN H H 88 8.600 9.013 -0.413 1 1 1142 . 17 1 1 A 88 88 ASN HA H 88 4.810 4.647 0.163 1 1 1147 . 17 1 1 A 88 88 ASN C C 88 175.600 174.326 1.274 1 1 1148 . 17 1 1 A 88 88 ASN CA C 88 54.100 54.655 -0.555 1 1 1149 . 17 1 1 A 88 88 ASN CB C 88 39.100 38.130 0.970 1 1 1150 . 17 1 1 A 88 88 ASN N N 88 115.500 120.001 -4.501 1 1 1152 . 17 1 1 A 89 89 SER H H 89 8.150 7.736 0.414 1 1 1153 . 17 1 1 A 89 89 SER HA H 89 5.120 4.703 0.417 1 1 1156 . 17 1 1 A 89 89 SER C C 89 172.400 173.165 -0.765 1 1 1157 . 17 1 1 A 89 89 SER CA C 89 58.100 59.463 -1.363 1 1 1158 . 17 1 1 A 89 89 SER CB C 89 64.000 64.612 -0.612 1 1 1159 . 17 1 1 A 89 89 SER N N 89 117.500 118.365 -0.865 1 1 1160 . 17 1 1 A 90 90 SER H H 90 8.200 8.415 -0.215 1 1 1161 . 17 1 1 A 90 90 SER HA H 90 4.680 5.391 -0.711 1 1 1164 . 17 1 1 A 90 90 SER C C 90 172.400 173.305 -0.905 1 1 1165 . 17 1 1 A 90 90 SER CA C 90 57.700 57.241 0.459 1 1 1166 . 17 1 1 A 90 90 SER CB C 90 65.700 66.375 -0.675 1 1 1167 . 17 1 1 A 90 90 SER N N 90 113.200 117.687 -4.487 1 1 1168 . 17 1 1 A 91 91 ILE H H 91 8.640 8.870 -0.230 1 1 1169 . 17 1 1 A 91 91 ILE HA H 91 5.030 5.137 -0.107 1 1 1179 . 17 1 1 A 91 91 ILE C C 91 175.300 174.343 0.957 1 1 1180 . 17 1 1 A 91 91 ILE CA C 91 60.200 60.390 -0.190 1 1 1181 . 17 1 1 A 91 91 ILE CB C 91 42.200 41.757 0.443 1 1 1185 . 17 1 1 A 91 91 ILE N N 91 119.700 122.545 -2.845 1 1 1186 . 17 1 1 A 92 92 GLU H H 92 8.810 8.881 -0.071 1 1 1187 . 17 1 1 A 92 92 GLU HA H 92 4.710 5.222 -0.512 1 1 1192 . 17 1 1 A 92 92 GLU C C 92 174.700 175.421 -0.721 1 1 1193 . 17 1 1 A 92 92 GLU CA C 92 54.600 54.441 0.159 1 1 1194 . 17 1 1 A 92 92 GLU CB C 92 33.300 33.393 -0.093 1 1 1196 . 17 1 1 A 92 92 GLU N N 92 125.900 128.309 -2.409 1 1 1197 . 17 1 1 A 93 93 LYS H H 93 9.080 8.398 0.682 1 1 1198 . 17 1 1 A 93 93 LYS HA H 93 4.100 4.100 0.000 1 1 1207 . 17 1 1 A 93 93 LYS C C 93 176.400 175.714 0.686 1 1 1208 . 17 1 1 A 93 93 LYS CA C 93 57.500 56.490 1.010 1 1 1209 . 17 1 1 A 93 93 LYS CB C 93 32.900 33.165 -0.265 1 1 1213 . 17 1 1 A 93 93 LYS N N 93 127.600 126.514 1.086 1 1 1214 . 17 1 1 A 94 94 LEU H H 94 8.410 8.038 0.372 1 1 1215 . 17 1 1 A 94 94 LEU HA H 94 4.480 4.736 -0.256 1 1 1224 . 17 1 1 A 94 94 LEU C C 94 177.300 177.716 -0.416 1 1 1225 . 17 1 1 A 94 94 LEU CA C 94 53.900 53.505 0.395 1 1 1226 . 17 1 1 A 94 94 LEU CB C 94 42.900 44.136 -1.236 1 1 1230 . 17 1 1 A 94 94 LEU N N 94 127.300 126.558 0.742 1 1 1231 . 17 1 1 A 95 95 SER H H 95 8.630 8.850 -0.220 1 1 1232 . 17 1 1 A 95 95 SER HA H 95 4.350 4.406 -0.056 1 1 1235 . 17 1 1 A 95 95 SER C C 95 173.800 173.857 -0.057 1 1 1236 . 17 1 1 A 95 95 SER CA C 95 58.900 59.444 -0.544 1 1 1237 . 17 1 1 A 95 95 SER CB C 95 63.400 63.561 -0.161 1 1 1238 . 17 1 1 A 95 95 SER N N 95 115.700 119.192 -3.492 1 1 1239 . 17 1 1 A 96 96 GLU H H 96 7.230 7.642 -0.412 1 1 1240 . 17 1 1 A 96 96 GLU HA H 96 4.750 4.721 0.029 1 1 1245 . 17 1 1 A 96 96 GLU CA C 96 53.000 52.949 0.051 1 1 1246 . 17 1 1 A 96 96 GLU CB C 96 30.700 30.650 0.050 1 1 1248 . 17 1 1 A 96 96 GLU N N 96 121.600 122.545 -0.945 1 1 1249 . 17 1 1 A 97 97 PRO HA H 97 4.250 4.712 -0.462 1 1 1256 . 17 1 1 A 97 97 PRO CA C 97 62.400 62.748 -0.348 1 1 1257 . 17 1 1 A 97 97 PRO CB C 97 32.600 32.393 0.207 1 1 1260 . 17 1 1 A 98 98 ILE H H 98 7.920 8.393 -0.473 1 1 1261 . 17 1 1 A 98 98 ILE HA H 98 4.070 4.435 -0.365 1 1 1271 . 17 1 1 A 98 98 ILE C C 98 175.400 177.021 -1.621 1 1 1272 . 17 1 1 A 98 98 ILE CA C 98 59.300 59.990 -0.690 1 1 1273 . 17 1 1 A 98 98 ILE CB C 98 38.300 39.099 -0.799 1 1 1277 . 17 1 1 A 98 98 ILE N N 98 122.700 122.060 0.640 1 1 1278 . 17 1 1 A 99 99 GLU H H 99 8.550 8.933 -0.383 1 1 1279 . 17 1 1 A 99 99 GLU HA H 99 4.260 3.902 0.358 1 1 1284 . 17 1 1 A 99 99 GLU C C 99 175.100 176.807 -1.707 1 1 1285 . 17 1 1 A 99 99 GLU CA C 99 55.500 59.414 -3.914 1 1 1286 . 17 1 1 A 99 99 GLU CB C 99 30.000 29.832 0.168 1 1 1288 . 17 1 1 A 99 99 GLU N N 99 127.900 124.713 3.187 1 1 1289 . 17 1 1 A 100 100 VAL H H 100 7.970 8.076 -0.106 1 1 1290 . 17 1 1 A 100 100 VAL HA H 100 3.980 3.734 0.246 1 1 1298 . 17 1 1 A 100 100 VAL C C 100 176.700 176.313 0.387 1 1 1299 . 17 1 1 A 100 100 VAL CA C 100 61.000 63.257 -2.257 1 1 1300 . 17 1 1 A 100 100 VAL CB C 100 33.000 30.479 2.521 1 1 1303 . 17 1 1 A 100 100 VAL N N 100 121.100 116.241 4.859 1 1 1304 . 17 1 1 A 101 101 GLY H H 101 8.520 8.581 -0.061 1 1 1305 . 17 1 1 A 101 101 GLY HA2 H 101 3.830 3.847 -0.017 1 1 1306 . 17 1 1 A 101 101 GLY HA3 H 101 3.980 3.849 0.131 1 1 1307 . 17 1 1 A 101 101 GLY C C 101 174.200 174.025 0.175 1 1 1308 . 17 1 1 A 101 101 GLY CA C 101 45.800 46.289 -0.489 1 1 1309 . 17 1 1 A 101 101 GLY N N 101 114.000 106.269 7.731 1 1 1310 . 17 1 1 A 102 102 LEU H H 102 8.100 7.618 0.482 1 1 1311 . 17 1 1 A 102 102 LEU HA H 102 4.170 4.607 -0.437 1 1 1320 . 17 1 1 A 102 102 LEU C C 102 177.700 175.938 1.762 1 1 1321 . 17 1 1 A 102 102 LEU CA C 102 55.500 53.995 1.505 1 1 1322 . 17 1 1 A 102 102 LEU CB C 102 42.600 43.094 -0.494 1 1 1326 . 17 1 1 A 102 102 LEU N N 102 121.000 122.290 -1.290 1 1 1327 . 17 1 1 A 103 103 GLU H H 103 8.420 8.712 -0.292 1 1 1328 . 17 1 1 A 103 103 GLU HA H 103 4.090 4.634 -0.544 1 1 1333 . 17 1 1 A 103 103 GLU C C 103 176.400 176.342 0.058 1 1 1334 . 17 1 1 A 103 103 GLU CA C 103 57.100 55.501 1.599 1 1 1335 . 17 1 1 A 103 103 GLU CB C 103 29.900 31.661 -1.761 1 1 1337 . 17 1 1 A 103 103 GLU N N 103 120.000 127.676 -7.676 1 1 1338 . 17 1 1 A 104 104 HIS H H 104 8.180 7.897 0.283 1 1 1339 . 17 1 1 A 104 104 HIS HA H 104 4.580 4.276 0.304 1 1 1342 . 17 1 1 A 104 104 HIS C C 104 173.800 173.723 0.077 1 1 1343 . 17 1 1 A 104 104 HIS CA C 104 55.700 56.157 -0.457 1 1 1344 . 17 1 1 A 104 104 HIS CB C 104 30.000 28.239 1.761 1 1 1345 . 17 1 1 A 104 104 HIS N N 104 119.000 116.953 2.047 1 1 1346 . 17 1 1 A 105 105 HIS H H 105 8.160 8.058 0.102 1 1 1347 . 17 1 1 A 105 105 HIS HA H 105 4.380 5.135 -0.755 1 1 1350 . 17 1 1 A 105 105 HIS CA C 105 57.200 54.998 2.202 1 1 1351 . 17 1 1 A 105 105 HIS CB C 105 30.000 33.414 -3.414 1 1 1 . 18 1 1 A 3 3 PRO HA H 3 4.430 4.610 -0.180 1 1 8 . 18 1 1 A 3 3 PRO C C 3 175.600 176.213 -0.613 1 1 9 . 18 1 1 A 3 3 PRO CA C 3 62.510 62.446 0.064 1 1 10 . 18 1 1 A 3 3 PRO CB C 3 32.000 32.257 -0.257 1 1 13 . 18 1 1 A 4 4 GLN H H 4 8.580 8.458 0.122 1 1 14 . 18 1 1 A 4 4 GLN HA H 4 4.260 4.567 -0.307 1 1 21 . 18 1 1 A 4 4 GLN C C 4 176.900 175.111 1.789 1 1 22 . 18 1 1 A 4 4 GLN CA C 4 55.700 55.442 0.258 1 1 23 . 18 1 1 A 4 4 GLN CB C 4 29.200 29.283 -0.083 1 1 25 . 18 1 1 A 4 4 GLN N N 4 120.000 121.347 -1.347 1 1 27 . 18 1 1 A 5 5 LEU H H 5 8.920 9.123 -0.203 1 1 28 . 18 1 1 A 5 5 LEU HA H 5 4.660 5.018 -0.358 1 1 38 . 18 1 1 A 5 5 LEU C C 5 176.900 176.180 0.720 1 1 39 . 18 1 1 A 5 5 LEU CA C 5 54.700 53.746 0.954 1 1 40 . 18 1 1 A 5 5 LEU CB C 5 43.000 43.713 -0.713 1 1 44 . 18 1 1 A 5 5 LEU N N 5 128.500 129.234 -0.734 1 1 45 . 18 1 1 A 6 6 THR H H 6 8.750 8.885 -0.135 1 1 46 . 18 1 1 A 6 6 THR HA H 6 4.530 5.032 -0.502 1 1 51 . 18 1 1 A 6 6 THR C C 6 173.700 173.586 0.114 1 1 52 . 18 1 1 A 6 6 THR CA C 6 61.600 61.174 0.426 1 1 53 . 18 1 1 A 6 6 THR CB C 6 72.000 71.472 0.528 1 1 55 . 18 1 1 A 6 6 THR N N 6 121.000 120.943 0.057 1 1 56 . 18 1 1 A 7 7 LYS H H 7 9.080 8.903 0.177 1 1 57 . 18 1 1 A 7 7 LYS HA H 7 4.430 4.494 -0.064 1 1 66 . 18 1 1 A 7 7 LYS C C 7 178.600 178.266 0.334 1 1 67 . 18 1 1 A 7 7 LYS CA C 7 54.300 54.834 -0.534 1 1 68 . 18 1 1 A 7 7 LYS CB C 7 32.300 33.951 -1.651 1 1 72 . 18 1 1 A 7 7 LYS N N 7 126.300 124.536 1.764 1 1 73 . 18 1 1 A 8 8 ILE H H 8 9.870 8.826 1.044 1 1 74 . 18 1 1 A 8 8 ILE HA H 8 3.240 3.757 -0.517 1 1 82 . 18 1 1 A 8 8 ILE C C 8 178.700 177.891 0.809 1 1 83 . 18 1 1 A 8 8 ILE CA C 8 66.800 65.382 1.418 1 1 84 . 18 1 1 A 8 8 ILE CB C 8 36.400 37.495 -1.095 1 1 87 . 18 1 1 A 8 8 ILE N N 8 124.700 122.579 2.121 1 1 88 . 18 1 1 A 9 9 VAL H H 9 8.340 8.080 0.260 1 1 89 . 18 1 1 A 9 9 VAL HA H 9 3.930 3.890 0.040 1 1 97 . 18 1 1 A 9 9 VAL C C 9 178.700 176.781 1.919 1 1 98 . 18 1 1 A 9 9 VAL CA C 9 63.300 64.258 -0.958 1 1 99 . 18 1 1 A 9 9 VAL CB C 9 31.700 31.533 0.167 1 1 102 . 18 1 1 A 9 9 VAL N N 9 119.500 120.442 -0.942 1 1 103 . 18 1 1 A 10 10 ASP H H 10 7.510 8.018 -0.508 1 1 104 . 18 1 1 A 10 10 ASP HA H 10 4.730 4.685 0.045 1 1 107 . 18 1 1 A 10 10 ASP C C 10 174.500 176.071 -1.571 1 1 108 . 18 1 1 A 10 10 ASP CA C 10 54.400 53.286 1.114 1 1 109 . 18 1 1 A 10 10 ASP CB C 10 41.100 40.872 0.228 1 1 110 . 18 1 1 A 10 10 ASP N N 10 119.100 119.681 -0.581 1 1 111 . 18 1 1 A 11 11 ILE H H 11 7.460 7.607 -0.147 1 1 112 . 18 1 1 A 11 11 ILE HA H 11 3.800 4.076 -0.276 1 1 122 . 18 1 1 A 11 11 ILE C C 11 174.900 176.406 -1.506 1 1 123 . 18 1 1 A 11 11 ILE CA C 11 62.100 60.672 1.428 1 1 124 . 18 1 1 A 11 11 ILE CB C 11 35.300 38.133 -2.833 1 1 128 . 18 1 1 A 11 11 ILE N N 11 124.200 121.565 2.635 1 1 129 . 18 1 1 A 12 12 VAL H H 12 8.530 8.634 -0.104 1 1 130 . 18 1 1 A 12 12 VAL HA H 12 4.260 4.056 0.204 1 1 138 . 18 1 1 A 12 12 VAL C C 12 174.900 174.976 -0.076 1 1 139 . 18 1 1 A 12 12 VAL CA C 12 60.600 61.057 -0.457 1 1 140 . 18 1 1 A 12 12 VAL CB C 12 35.400 33.953 1.447 1 1 143 . 18 1 1 A 12 12 VAL N N 12 118.400 119.134 -0.734 1 1 144 . 18 1 1 A 13 13 GLU H H 13 7.430 7.399 0.031 1 1 145 . 18 1 1 A 13 13 GLU HA H 13 4.590 4.988 -0.398 1 1 150 . 18 1 1 A 13 13 GLU C C 13 173.800 174.988 -1.188 1 1 151 . 18 1 1 A 13 13 GLU CA C 13 54.800 54.561 0.239 1 1 152 . 18 1 1 A 13 13 GLU CB C 13 33.160 33.130 0.030 1 1 154 . 18 1 1 A 13 13 GLU N N 13 120.100 122.801 -2.701 1 1 155 . 18 1 1 A 14 14 ASN H H 14 8.800 8.818 -0.018 1 1 156 . 18 1 1 A 14 14 ASN HA H 14 4.110 4.831 -0.721 1 1 161 . 18 1 1 A 14 14 ASN C C 14 176.600 176.596 0.004 1 1 162 . 18 1 1 A 14 14 ASN CA C 14 54.600 53.634 0.966 1 1 163 . 18 1 1 A 14 14 ASN CB C 14 38.900 39.530 -0.630 1 1 164 . 18 1 1 A 14 14 ASN N N 14 121.500 123.999 -2.499 1 1 166 . 18 1 1 A 15 15 GLY H H 15 8.620 8.948 -0.328 1 1 167 . 18 1 1 A 15 15 GLY HA2 H 15 3.460 3.710 -0.250 1 1 168 . 18 1 1 A 15 15 GLY HA3 H 15 4.110 3.803 0.307 1 1 169 . 18 1 1 A 15 15 GLY C C 15 173.100 173.316 -0.216 1 1 170 . 18 1 1 A 15 15 GLY CA C 15 45.300 45.584 -0.284 1 1 171 . 18 1 1 A 15 15 GLY N N 15 114.900 110.527 4.373 1 1 172 . 18 1 1 A 16 16 GLN H H 16 7.280 7.691 -0.411 1 1 173 . 18 1 1 A 16 16 GLN HA H 16 4.160 4.612 -0.452 1 1 180 . 18 1 1 A 16 16 GLN C C 16 174.400 174.818 -0.418 1 1 181 . 18 1 1 A 16 16 GLN CA C 16 56.300 54.586 1.714 1 1 182 . 18 1 1 A 16 16 GLN CB C 16 30.300 30.442 -0.142 1 1 184 . 18 1 1 A 16 16 GLN N N 16 121.500 120.193 1.307 1 1 186 . 18 1 1 A 17 17 TRP H H 17 8.640 8.953 -0.313 1 1 187 . 18 1 1 A 17 17 TRP HA H 17 5.400 5.548 -0.148 1 1 196 . 18 1 1 A 17 17 TRP C C 17 176.900 176.099 0.801 1 1 197 . 18 1 1 A 17 17 TRP CA C 17 56.400 56.337 0.063 1 1 198 . 18 1 1 A 17 17 TRP CB C 17 30.300 31.008 -0.708 1 1 204 . 18 1 1 A 17 17 TRP N N 17 125.500 125.646 -0.146 1 1 206 . 18 1 1 A 18 18 ALA H H 18 9.020 8.692 0.328 1 1 207 . 18 1 1 A 18 18 ALA HA H 18 4.650 4.895 -0.245 1 1 211 . 18 1 1 A 18 18 ALA C C 18 174.100 175.129 -1.029 1 1 212 . 18 1 1 A 18 18 ALA CA C 18 51.430 51.265 0.165 1 1 213 . 18 1 1 A 18 18 ALA CB C 18 22.600 23.422 -0.822 1 1 214 . 18 1 1 A 18 18 ALA N N 18 124.000 122.800 1.200 1 1 215 . 18 1 1 A 19 19 ASN H H 19 8.250 8.193 0.057 1 1 216 . 18 1 1 A 19 19 ASN HA H 19 5.710 5.785 -0.075 1 1 221 . 18 1 1 A 19 19 ASN C C 19 173.500 174.209 -0.709 1 1 222 . 18 1 1 A 19 19 ASN CA C 19 51.600 51.980 -0.380 1 1 223 . 18 1 1 A 19 19 ASN CB C 19 40.100 41.635 -1.535 1 1 224 . 18 1 1 A 19 19 ASN N N 19 116.500 116.521 -0.021 1 1 226 . 18 1 1 A 20 20 LEU H H 20 9.280 9.227 0.053 1 1 227 . 18 1 1 A 20 20 LEU HA H 20 4.930 5.183 -0.253 1 1 236 . 18 1 1 A 20 20 LEU C C 20 174.800 175.353 -0.553 1 1 237 . 18 1 1 A 20 20 LEU CA C 20 54.200 53.417 0.783 1 1 238 . 18 1 1 A 20 20 LEU CB C 20 46.300 45.430 0.870 1 1 241 . 18 1 1 A 20 20 LEU N N 20 121.800 124.361 -2.561 1 1 242 . 18 1 1 A 21 21 LYS H H 21 8.550 8.677 -0.127 1 1 243 . 18 1 1 A 21 21 LYS HA H 21 5.450 5.474 -0.024 1 1 252 . 18 1 1 A 21 21 LYS C C 21 174.800 174.910 -0.110 1 1 253 . 18 1 1 A 21 21 LYS CA C 21 55.350 54.791 0.559 1 1 254 . 18 1 1 A 21 21 LYS CB C 21 34.300 35.902 -1.602 1 1 258 . 18 1 1 A 21 21 LYS N N 21 122.500 122.953 -0.453 1 1 259 . 18 1 1 A 22 22 ALA H H 22 9.090 8.331 0.759 1 1 260 . 18 1 1 A 22 22 ALA HA H 22 4.830 4.756 0.074 1 1 264 . 18 1 1 A 22 22 ALA C C 22 173.800 174.810 -1.010 1 1 265 . 18 1 1 A 22 22 ALA CA C 22 51.300 51.304 -0.004 1 1 266 . 18 1 1 A 22 22 ALA CB C 22 24.700 22.762 1.938 1 1 267 . 18 1 1 A 22 22 ALA N N 22 123.200 126.423 -3.223 1 1 268 . 18 1 1 A 23 23 LYS H H 23 9.190 8.209 0.981 1 1 269 . 18 1 1 A 23 23 LYS HA H 23 5.080 5.133 -0.053 1 1 276 . 18 1 1 A 23 23 LYS C C 23 176.900 175.423 1.477 1 1 277 . 18 1 1 A 23 23 LYS CA C 23 54.100 54.484 -0.384 1 1 278 . 18 1 1 A 23 23 LYS CB C 23 35.800 35.370 0.430 1 1 281 . 18 1 1 A 23 23 LYS N N 23 121.100 119.030 2.070 1 1 282 . 18 1 1 A 24 24 VAL H H 24 8.620 8.628 -0.008 1 1 283 . 18 1 1 A 24 24 VAL HA H 24 4.110 4.316 -0.206 1 1 291 . 18 1 1 A 24 24 VAL C C 24 175.800 175.637 0.163 1 1 292 . 18 1 1 A 24 24 VAL CA C 24 62.750 63.125 -0.375 1 1 293 . 18 1 1 A 24 24 VAL CB C 24 30.500 30.948 -0.448 1 1 296 . 18 1 1 A 24 24 VAL N N 24 125.600 126.231 -0.631 1 1 297 . 18 1 1 A 25 25 ILE H H 25 8.430 8.405 0.025 1 1 298 . 18 1 1 A 25 25 ILE HA H 25 4.210 4.050 0.160 1 1 308 . 18 1 1 A 25 25 ILE C C 25 176.700 176.379 0.321 1 1 309 . 18 1 1 A 25 25 ILE CA C 25 62.100 63.192 -1.092 1 1 310 . 18 1 1 A 25 25 ILE CB C 25 38.300 38.379 -0.079 1 1 314 . 18 1 1 A 25 25 ILE N N 25 127.400 129.270 -1.870 1 1 315 . 18 1 1 A 26 26 GLN H H 26 7.590 7.823 -0.233 1 1 316 . 18 1 1 A 26 26 GLN HA H 26 4.560 4.931 -0.371 1 1 323 . 18 1 1 A 26 26 GLN C C 26 173.700 173.484 0.216 1 1 324 . 18 1 1 A 26 26 GLN CA C 26 55.400 55.257 0.143 1 1 325 . 18 1 1 A 26 26 GLN CB C 26 34.100 31.964 2.136 1 1 327 . 18 1 1 A 26 26 GLN N N 26 117.100 120.208 -3.108 1 1 329 . 18 1 1 A 27 27 LEU H H 27 8.470 9.004 -0.534 1 1 330 . 18 1 1 A 27 27 LEU HA H 27 4.710 5.308 -0.598 1 1 340 . 18 1 1 A 27 27 LEU C C 27 176.200 175.244 0.956 1 1 341 . 18 1 1 A 27 27 LEU CA C 27 54.100 53.346 0.754 1 1 342 . 18 1 1 A 27 27 LEU CB C 27 44.000 45.513 -1.513 1 1 346 . 18 1 1 A 27 27 LEU N N 27 123.600 128.293 -4.693 1 1 347 . 18 1 1 A 28 28 TRP H H 28 8.850 8.491 0.359 1 1 348 . 18 1 1 A 28 28 TRP HA H 28 5.180 5.121 0.059 1 1 357 . 18 1 1 A 28 28 TRP C C 28 175.900 174.324 1.576 1 1 358 . 18 1 1 A 28 28 TRP CA C 28 53.300 56.073 -2.773 1 1 359 . 18 1 1 A 28 28 TRP CB C 28 31.400 31.909 -0.509 1 1 365 . 18 1 1 A 28 28 TRP N N 28 123.900 128.260 -4.360 1 1 367 . 18 1 1 A 29 29 GLU H H 29 8.620 8.480 0.140 1 1 368 . 18 1 1 A 29 29 GLU HA H 29 4.250 4.410 -0.160 1 1 373 . 18 1 1 A 29 29 GLU C C 29 175.700 175.228 0.472 1 1 374 . 18 1 1 A 29 29 GLU CA C 29 56.800 56.618 0.182 1 1 375 . 18 1 1 A 29 29 GLU CB C 29 30.000 29.991 0.009 1 1 377 . 18 1 1 A 29 29 GLU N N 29 120.700 128.785 -8.085 1 1 378 . 18 1 1 A 30 30 ASN H H 30 8.720 8.146 0.574 1 1 379 . 18 1 1 A 30 30 ASN HA H 30 4.870 5.044 -0.174 1 1 384 . 18 1 1 A 30 30 ASN C C 30 174.800 175.354 -0.554 1 1 385 . 18 1 1 A 30 30 ASN CA C 30 53.800 52.617 1.183 1 1 386 . 18 1 1 A 30 30 ASN CB C 30 41.200 41.042 0.158 1 1 387 . 18 1 1 A 30 30 ASN N N 30 121.400 125.470 -4.070 1 1 389 . 18 1 1 A 31 31 THR H H 31 8.300 8.849 -0.549 1 1 390 . 18 1 1 A 31 31 THR HA H 31 4.430 4.524 -0.094 1 1 395 . 18 1 1 A 31 31 THR C C 31 174.200 174.528 -0.328 1 1 396 . 18 1 1 A 31 31 THR CA C 31 61.000 62.695 -1.695 1 1 397 . 18 1 1 A 31 31 THR CB C 31 69.600 69.192 0.408 1 1 399 . 18 1 1 A 31 31 THR N N 31 114.200 119.569 -5.369 1 1 400 . 18 1 1 A 32 32 HIS H H 32 7.840 8.188 -0.348 1 1 401 . 18 1 1 A 32 32 HIS HA H 32 4.560 4.533 0.027 1 1 405 . 18 1 1 A 32 32 HIS C C 32 177.300 176.225 1.075 1 1 406 . 18 1 1 A 32 32 HIS CA C 32 57.600 56.453 1.147 1 1 407 . 18 1 1 A 32 32 HIS CB C 32 32.000 30.316 1.684 1 1 409 . 18 1 1 A 32 32 HIS N N 32 122.500 121.426 1.074 1 1 410 . 18 1 1 A 33 33 GLU H H 33 9.020 9.146 -0.126 1 1 411 . 18 1 1 A 33 33 GLU HA H 33 4.120 3.984 0.136 1 1 416 . 18 1 1 A 33 33 GLU C C 33 177.100 178.957 -1.857 1 1 417 . 18 1 1 A 33 33 GLU CA C 33 59.000 59.930 -0.930 1 1 418 . 18 1 1 A 33 33 GLU CB C 33 29.400 29.479 -0.079 1 1 420 . 18 1 1 A 33 33 GLU N N 33 127.300 123.897 3.403 1 1 421 . 18 1 1 A 34 34 SER H H 34 9.430 8.158 1.272 1 1 422 . 18 1 1 A 34 34 SER HA H 34 4.580 4.455 0.125 1 1 425 . 18 1 1 A 34 34 SER C C 34 174.800 174.110 0.690 1 1 426 . 18 1 1 A 34 34 SER CA C 34 59.500 61.680 -2.180 1 1 427 . 18 1 1 A 34 34 SER CB C 34 63.600 63.263 0.337 1 1 428 . 18 1 1 A 34 34 SER N N 34 113.400 115.326 -1.926 1 1 429 . 18 1 1 A 35 35 ILE H H 35 7.920 8.188 -0.268 1 1 430 . 18 1 1 A 35 35 ILE HA H 35 4.080 4.281 -0.201 1 1 440 . 18 1 1 A 35 35 ILE C C 35 174.300 175.541 -1.241 1 1 441 . 18 1 1 A 35 35 ILE CA C 35 61.600 60.172 1.428 1 1 442 . 18 1 1 A 35 35 ILE CB C 35 40.700 39.217 1.483 1 1 446 . 18 1 1 A 35 35 ILE N N 35 125.800 119.373 6.427 1 1 447 . 18 1 1 A 36 36 SER H H 36 9.010 8.571 0.439 1 1 448 . 18 1 1 A 36 36 SER HA H 36 4.480 4.509 -0.029 1 1 451 . 18 1 1 A 36 36 SER C C 36 174.900 173.584 1.316 1 1 452 . 18 1 1 A 36 36 SER CA C 36 58.800 59.859 -1.059 1 1 453 . 18 1 1 A 36 36 SER CB C 36 64.300 64.354 -0.054 1 1 454 . 18 1 1 A 36 36 SER N N 36 119.100 122.271 -3.171 1 1 455 . 18 1 1 A 37 37 GLN H H 37 7.390 7.245 0.145 1 1 456 . 18 1 1 A 37 37 GLN HA H 37 4.690 4.648 0.042 1 1 463 . 18 1 1 A 37 37 GLN C C 37 171.800 173.167 -1.367 1 1 464 . 18 1 1 A 37 37 GLN CA C 37 54.900 55.242 -0.342 1 1 465 . 18 1 1 A 37 37 GLN CB C 37 36.200 32.289 3.911 1 1 466 . 18 1 1 A 37 37 GLN N N 37 116.500 118.400 -1.900 1 1 468 . 18 1 1 A 38 38 VAL H H 38 8.640 8.268 0.372 1 1 469 . 18 1 1 A 38 38 VAL HA H 38 4.160 4.479 -0.319 1 1 477 . 18 1 1 A 38 38 VAL C C 38 172.400 174.346 -1.946 1 1 478 . 18 1 1 A 38 38 VAL CA C 38 58.500 59.401 -0.901 1 1 479 . 18 1 1 A 38 38 VAL CB C 38 35.300 35.646 -0.346 1 1 482 . 18 1 1 A 38 38 VAL N N 38 120.400 122.473 -2.073 1 1 483 . 18 1 1 A 39 39 GLY H H 39 6.440 7.503 -1.063 1 1 484 . 18 1 1 A 39 39 GLY HA2 H 39 3.690 4.264 -0.574 1 1 485 . 18 1 1 A 39 39 GLY HA3 H 39 1.940 4.337 -2.397 1 1 486 . 18 1 1 A 39 39 GLY C C 39 170.600 171.491 -0.891 1 1 487 . 18 1 1 A 39 39 GLY CA C 39 45.300 46.192 -0.892 1 1 488 . 18 1 1 A 39 39 GLY N N 39 109.600 111.105 -1.505 1 1 489 . 18 1 1 A 40 40 LEU H H 40 8.380 8.774 -0.394 1 1 490 . 18 1 1 A 40 40 LEU HA H 40 4.980 5.269 -0.289 1 1 499 . 18 1 1 A 40 40 LEU C C 40 176.000 174.331 1.669 1 1 500 . 18 1 1 A 40 40 LEU CA C 40 53.200 53.601 -0.401 1 1 501 . 18 1 1 A 40 40 LEU CB C 40 47.400 46.726 0.674 1 1 504 . 18 1 1 A 40 40 LEU N N 40 119.500 121.818 -2.318 1 1 505 . 18 1 1 A 41 41 LEU H H 41 9.410 9.114 0.296 1 1 506 . 18 1 1 A 41 41 LEU HA H 41 5.320 5.272 0.048 1 1 516 . 18 1 1 A 41 41 LEU C C 41 176.700 175.564 1.136 1 1 517 . 18 1 1 A 41 41 LEU CA C 41 52.400 52.898 -0.498 1 1 518 . 18 1 1 A 41 41 LEU CB C 41 44.900 44.135 0.765 1 1 522 . 18 1 1 A 41 41 LEU N N 41 122.700 126.505 -3.805 1 1 523 . 18 1 1 A 42 42 GLY H H 42 9.210 9.906 -0.696 1 1 524 . 18 1 1 A 42 42 GLY HA2 H 42 3.550 4.090 -0.540 1 1 525 . 18 1 1 A 42 42 GLY HA3 H 42 5.350 4.090 1.260 1 1 526 . 18 1 1 A 42 42 GLY C C 42 171.200 171.809 -0.609 1 1 527 . 18 1 1 A 42 42 GLY CA C 42 45.700 45.332 0.368 1 1 528 . 18 1 1 A 42 42 GLY N N 42 104.600 112.321 -7.721 1 1 529 . 18 1 1 A 43 43 ASP H H 43 8.960 8.910 0.050 1 1 530 . 18 1 1 A 43 43 ASP HA H 43 4.640 5.034 -0.394 1 1 533 . 18 1 1 A 43 43 ASP C C 43 175.600 177.731 -2.131 1 1 534 . 18 1 1 A 43 43 ASP CA C 43 52.700 53.107 -0.407 1 1 535 . 18 1 1 A 43 43 ASP CB C 43 41.600 43.283 -1.683 1 1 536 . 18 1 1 A 43 43 ASP N N 43 121.900 126.117 -4.217 1 1 537 . 18 1 1 A 44 44 GLU H H 44 10.150 9.054 1.096 1 1 538 . 18 1 1 A 44 44 GLU HA H 44 4.380 4.113 0.267 1 1 543 . 18 1 1 A 44 44 GLU C C 44 176.900 176.949 -0.049 1 1 544 . 18 1 1 A 44 44 GLU CA C 44 59.300 58.692 0.608 1 1 545 . 18 1 1 A 44 44 GLU CB C 44 28.100 29.113 -1.013 1 1 547 . 18 1 1 A 44 44 GLU N N 44 118.000 123.138 -5.138 1 1 548 . 18 1 1 A 45 45 THR H H 45 9.600 7.690 1.910 1 1 549 . 18 1 1 A 45 45 THR HA H 45 4.580 4.480 0.100 1 1 554 . 18 1 1 A 45 45 THR C C 45 174.800 174.120 0.680 1 1 555 . 18 1 1 A 45 45 THR CA C 45 61.700 62.449 -0.749 1 1 556 . 18 1 1 A 45 45 THR CB C 45 70.000 69.536 0.464 1 1 558 . 18 1 1 A 45 45 THR N N 45 112.000 109.861 2.139 1 1 559 . 18 1 1 A 46 46 GLY H H 46 7.640 7.479 0.161 1 1 560 . 18 1 1 A 46 46 GLY HA2 H 46 3.830 4.117 -0.287 1 1 561 . 18 1 1 A 46 46 GLY HA3 H 46 4.000 4.117 -0.117 1 1 562 . 18 1 1 A 46 46 GLY C C 46 169.400 171.331 -1.931 1 1 563 . 18 1 1 A 46 46 GLY CA C 46 46.000 45.716 0.284 1 1 564 . 18 1 1 A 46 46 GLY N N 46 110.600 107.603 2.997 1 1 565 . 18 1 1 A 47 47 ILE H H 47 8.000 8.566 -0.566 1 1 566 . 18 1 1 A 47 47 ILE HA H 47 5.450 5.369 0.081 1 1 576 . 18 1 1 A 47 47 ILE C C 47 175.200 174.256 0.944 1 1 577 . 18 1 1 A 47 47 ILE CA C 47 59.100 58.720 0.380 1 1 578 . 18 1 1 A 47 47 ILE CB C 47 42.400 42.437 -0.037 1 1 582 . 18 1 1 A 47 47 ILE N N 47 113.900 118.363 -4.463 1 1 583 . 18 1 1 A 48 48 ILE H H 48 9.340 8.321 1.019 1 1 584 . 18 1 1 A 48 48 ILE HA H 48 4.640 4.720 -0.080 1 1 594 . 18 1 1 A 48 48 ILE C C 48 171.500 173.991 -2.491 1 1 595 . 18 1 1 A 48 48 ILE CA C 48 60.600 59.352 1.248 1 1 596 . 18 1 1 A 48 48 ILE CB C 48 42.000 41.559 0.441 1 1 600 . 18 1 1 A 48 48 ILE N N 48 123.600 122.120 1.480 1 1 601 . 18 1 1 A 49 49 LYS H H 49 8.350 8.434 -0.084 1 1 602 . 18 1 1 A 49 49 LYS HA H 49 4.820 5.027 -0.207 1 1 611 . 18 1 1 A 49 49 LYS C C 49 174.700 176.207 -1.507 1 1 612 . 18 1 1 A 49 49 LYS CA C 49 56.400 55.245 1.155 1 1 613 . 18 1 1 A 49 49 LYS CB C 49 33.800 34.605 -0.805 1 1 617 . 18 1 1 A 49 49 LYS N N 49 129.100 126.393 2.707 1 1 618 . 18 1 1 A 50 50 PHE H H 50 8.570 8.883 -0.313 1 1 619 . 18 1 1 A 50 50 PHE HA H 50 5.820 5.642 0.178 1 1 627 . 18 1 1 A 50 50 PHE C C 50 172.100 173.323 -1.223 1 1 628 . 18 1 1 A 50 50 PHE CA C 50 54.800 55.263 -0.463 1 1 629 . 18 1 1 A 50 50 PHE CB C 50 43.900 42.100 1.800 1 1 635 . 18 1 1 A 50 50 PHE N N 50 122.700 119.131 3.569 1 1 636 . 18 1 1 A 51 51 THR H H 51 8.190 8.412 -0.222 1 1 637 . 18 1 1 A 51 51 THR HA H 51 4.320 4.587 -0.267 1 1 642 . 18 1 1 A 51 51 THR C C 51 172.900 172.813 0.087 1 1 643 . 18 1 1 A 51 51 THR CA C 51 61.700 61.025 0.675 1 1 644 . 18 1 1 A 51 51 THR CB C 51 72.500 71.445 1.055 1 1 646 . 18 1 1 A 51 51 THR N N 51 114.400 114.046 0.354 1 1 647 . 18 1 1 A 52 52 ILE H H 52 8.880 9.078 -0.198 1 1 648 . 18 1 1 A 52 52 ILE HA H 52 4.650 4.651 -0.001 1 1 658 . 18 1 1 A 52 52 ILE C C 52 176.000 175.138 0.862 1 1 659 . 18 1 1 A 52 52 ILE CA C 52 60.500 60.158 0.342 1 1 660 . 18 1 1 A 52 52 ILE CB C 52 38.900 39.337 -0.437 1 1 664 . 18 1 1 A 52 52 ILE N N 52 123.400 127.065 -3.665 1 1 665 . 18 1 1 A 53 53 TRP H H 53 8.020 8.578 -0.558 1 1 666 . 18 1 1 A 53 53 TRP HA H 53 4.740 4.833 -0.093 1 1 675 . 18 1 1 A 53 53 TRP C C 53 177.500 177.486 0.014 1 1 676 . 18 1 1 A 53 53 TRP CA C 53 57.700 57.512 0.188 1 1 677 . 18 1 1 A 53 53 TRP CB C 53 30.400 30.403 -0.003 1 1 683 . 18 1 1 A 53 53 TRP N N 53 129.500 128.724 0.776 1 1 685 . 18 1 1 A 54 54 LYS H H 54 8.980 9.014 -0.034 1 1 686 . 18 1 1 A 54 54 LYS HA H 54 4.100 3.992 0.108 1 1 695 . 18 1 1 A 54 54 LYS C C 54 177.700 178.019 -0.319 1 1 696 . 18 1 1 A 54 54 LYS CA C 54 59.400 60.116 -0.716 1 1 697 . 18 1 1 A 54 54 LYS CB C 54 32.400 32.252 0.148 1 1 701 . 18 1 1 A 54 54 LYS N N 54 125.500 124.640 0.860 1 1 702 . 18 1 1 A 55 55 ASN H H 55 8.600 8.465 0.135 1 1 703 . 18 1 1 A 55 55 ASN HA H 55 4.510 4.640 -0.130 1 1 708 . 18 1 1 A 55 55 ASN C C 55 175.300 176.668 -1.368 1 1 709 . 18 1 1 A 55 55 ASN CA C 55 53.700 55.262 -1.562 1 1 710 . 18 1 1 A 55 55 ASN CB C 55 37.100 38.485 -1.385 1 1 711 . 18 1 1 A 55 55 ASN N N 55 115.400 117.988 -2.588 1 1 713 . 18 1 1 A 56 56 ALA H H 56 7.630 7.965 -0.335 1 1 714 . 18 1 1 A 56 56 ALA HA H 56 3.970 4.357 -0.387 1 1 718 . 18 1 1 A 56 56 ALA C C 56 176.100 176.981 -0.881 1 1 719 . 18 1 1 A 56 56 ALA CA C 56 53.500 53.063 0.437 1 1 720 . 18 1 1 A 56 56 ALA CB C 56 18.400 19.698 -1.298 1 1 721 . 18 1 1 A 56 56 ALA N N 56 121.200 120.940 0.260 1 1 722 . 18 1 1 A 57 57 GLU H H 57 7.880 8.154 -0.274 1 1 723 . 18 1 1 A 57 57 GLU HA H 57 3.940 3.876 0.064 1 1 728 . 18 1 1 A 57 57 GLU C C 57 175.400 175.027 0.373 1 1 729 . 18 1 1 A 57 57 GLU CA C 57 56.700 57.381 -0.681 1 1 730 . 18 1 1 A 57 57 GLU CB C 57 27.300 27.464 -0.164 1 1 732 . 18 1 1 A 57 57 GLU N N 57 112.500 114.881 -2.381 1 1 733 . 18 1 1 A 58 58 LEU H H 58 7.910 7.882 0.028 1 1 734 . 18 1 1 A 58 58 LEU HA H 58 4.740 4.736 0.004 1 1 744 . 18 1 1 A 58 58 LEU C C 58 175.400 174.433 0.967 1 1 745 . 18 1 1 A 58 58 LEU CA C 58 52.300 52.097 0.203 1 1 746 . 18 1 1 A 58 58 LEU CB C 58 42.900 42.135 0.765 1 1 750 . 18 1 1 A 58 58 LEU N N 58 120.000 120.566 -0.566 1 1 751 . 18 1 1 A 59 59 PRO HA H 59 4.380 4.500 -0.120 1 1 758 . 18 1 1 A 59 59 PRO CA C 59 62.200 62.970 -0.770 1 1 759 . 18 1 1 A 59 59 PRO CB C 59 32.000 31.957 0.043 1 1 762 . 18 1 1 A 60 60 LEU H H 60 7.860 8.213 -0.353 1 1 763 . 18 1 1 A 60 60 LEU HA H 60 3.920 4.391 -0.471 1 1 773 . 18 1 1 A 60 60 LEU C C 60 178.300 177.106 1.194 1 1 774 . 18 1 1 A 60 60 LEU CA C 60 55.000 54.763 0.237 1 1 775 . 18 1 1 A 60 60 LEU CB C 60 41.800 42.584 -0.784 1 1 779 . 18 1 1 A 60 60 LEU N N 60 117.500 123.854 -6.354 1 1 780 . 18 1 1 A 61 61 LEU H H 61 9.680 7.989 1.691 1 1 781 . 18 1 1 A 61 61 LEU HA H 61 4.040 3.984 0.056 1 1 791 . 18 1 1 A 61 61 LEU C C 61 177.300 177.003 0.297 1 1 792 . 18 1 1 A 61 61 LEU CA C 61 54.100 54.180 -0.080 1 1 793 . 18 1 1 A 61 61 LEU CB C 61 41.300 42.171 -0.871 1 1 797 . 18 1 1 A 61 61 LEU N N 61 122.300 124.687 -2.387 1 1 798 . 18 1 1 A 62 62 GLU H H 62 8.390 8.895 -0.505 1 1 799 . 18 1 1 A 62 62 GLU HA H 62 4.430 4.682 -0.252 1 1 804 . 18 1 1 A 62 62 GLU C C 62 175.600 176.217 -0.617 1 1 805 . 18 1 1 A 62 62 GLU CA C 62 54.800 55.062 -0.262 1 1 806 . 18 1 1 A 62 62 GLU CB C 62 32.200 31.311 0.889 1 1 808 . 18 1 1 A 62 62 GLU N N 62 120.500 122.955 -2.455 1 1 809 . 18 1 1 A 63 63 GLN H H 63 8.780 8.777 0.003 1 1 810 . 18 1 1 A 63 63 GLN HA H 63 3.700 4.024 -0.324 1 1 817 . 18 1 1 A 63 63 GLN C C 63 176.600 176.824 -0.224 1 1 818 . 18 1 1 A 63 63 GLN CA C 63 58.100 57.776 0.324 1 1 819 . 18 1 1 A 63 63 GLN CB C 63 28.300 28.390 -0.090 1 1 821 . 18 1 1 A 63 63 GLN N N 63 123.300 123.716 -0.416 1 1 823 . 18 1 1 A 64 64 GLY H H 64 9.140 8.735 0.405 1 1 824 . 18 1 1 A 64 64 GLY HA2 H 64 3.580 3.988 -0.408 1 1 825 . 18 1 1 A 64 64 GLY HA3 H 64 4.390 3.989 0.401 1 1 826 . 18 1 1 A 64 64 GLY C C 64 173.900 174.291 -0.391 1 1 827 . 18 1 1 A 64 64 GLY CA C 64 45.300 44.902 0.398 1 1 828 . 18 1 1 A 64 64 GLY N N 64 115.100 114.941 0.159 1 1 829 . 18 1 1 A 65 65 GLU H H 65 7.590 7.632 -0.042 1 1 830 . 18 1 1 A 65 65 GLU HA H 65 4.490 4.606 -0.116 1 1 835 . 18 1 1 A 65 65 GLU C C 65 174.200 175.695 -1.495 1 1 836 . 18 1 1 A 65 65 GLU CA C 65 54.900 54.666 0.234 1 1 837 . 18 1 1 A 65 65 GLU CB C 65 30.500 31.357 -0.857 1 1 839 . 18 1 1 A 65 65 GLU N N 65 120.300 120.501 -0.201 1 1 840 . 18 1 1 A 66 66 SER H H 66 8.700 8.358 0.342 1 1 841 . 18 1 1 A 66 66 SER HA H 66 5.330 5.177 0.153 1 1 844 . 18 1 1 A 66 66 SER C C 66 174.100 173.143 0.957 1 1 845 . 18 1 1 A 66 66 SER CA C 66 58.300 56.724 1.576 1 1 846 . 18 1 1 A 66 66 SER CB C 66 65.500 64.798 0.702 1 1 847 . 18 1 1 A 66 66 SER N N 66 116.500 113.908 2.592 1 1 848 . 18 1 1 A 67 67 TYR H H 67 9.090 8.941 0.149 1 1 849 . 18 1 1 A 67 67 TYR HA H 67 5.110 5.058 0.052 1 1 856 . 18 1 1 A 67 67 TYR C C 67 173.900 174.385 -0.485 1 1 857 . 18 1 1 A 67 67 TYR CA C 67 57.500 56.201 1.299 1 1 858 . 18 1 1 A 67 67 TYR CB C 67 43.900 43.305 0.595 1 1 863 . 18 1 1 A 67 67 TYR N N 67 119.000 120.487 -1.487 1 1 864 . 18 1 1 A 68 68 LEU H H 68 9.230 8.887 0.343 1 1 865 . 18 1 1 A 68 68 LEU HA H 68 5.000 5.219 -0.219 1 1 875 . 18 1 1 A 68 68 LEU C C 68 175.300 174.514 0.786 1 1 876 . 18 1 1 A 68 68 LEU CA C 68 54.300 53.759 0.541 1 1 877 . 18 1 1 A 68 68 LEU CB C 68 43.800 45.297 -1.497 1 1 881 . 18 1 1 A 68 68 LEU N N 68 121.800 124.287 -2.487 1 1 882 . 18 1 1 A 69 69 LEU H H 69 9.460 9.713 -0.253 1 1 883 . 18 1 1 A 69 69 LEU HA H 69 5.010 5.102 -0.092 1 1 893 . 18 1 1 A 69 69 LEU C C 69 175.000 175.709 -0.709 1 1 894 . 18 1 1 A 69 69 LEU CA C 69 54.100 53.353 0.747 1 1 895 . 18 1 1 A 69 69 LEU CB C 69 42.300 43.153 -0.853 1 1 899 . 18 1 1 A 69 69 LEU N N 69 128.500 128.244 0.256 1 1 900 . 18 1 1 A 70 70 ARG H H 70 8.910 8.544 0.366 1 1 901 . 18 1 1 A 70 70 ARG HA H 70 4.850 5.100 -0.250 1 1 909 . 18 1 1 A 70 70 ARG C C 70 176.400 176.659 -0.259 1 1 910 . 18 1 1 A 70 70 ARG CA C 70 54.900 54.386 0.514 1 1 911 . 18 1 1 A 70 70 ARG CB C 70 32.300 33.391 -1.091 1 1 914 . 18 1 1 A 70 70 ARG N N 70 121.500 123.585 -2.085 1 1 916 . 18 1 1 A 71 71 SER H H 71 8.800 8.557 0.243 1 1 917 . 18 1 1 A 71 71 SER HA H 71 3.870 4.336 -0.466 1 1 920 . 18 1 1 A 71 71 SER C C 71 175.800 173.910 1.890 1 1 921 . 18 1 1 A 71 71 SER CA C 71 58.600 59.174 -0.574 1 1 922 . 18 1 1 A 71 71 SER CB C 71 62.000 60.942 1.058 1 1 923 . 18 1 1 A 71 71 SER N N 71 114.400 118.731 -4.331 1 1 924 . 18 1 1 A 72 72 VAL H H 72 8.750 7.574 1.176 1 1 925 . 18 1 1 A 72 72 VAL HA H 72 4.610 5.036 -0.426 1 1 933 . 18 1 1 A 72 72 VAL C C 72 173.300 174.022 -0.722 1 1 934 . 18 1 1 A 72 72 VAL CA C 72 59.300 59.635 -0.335 1 1 935 . 18 1 1 A 72 72 VAL CB C 72 31.900 34.730 -2.830 1 1 938 . 18 1 1 A 72 72 VAL N N 72 115.500 117.558 -2.058 1 1 939 . 18 1 1 A 73 73 VAL H H 73 7.940 8.410 -0.470 1 1 940 . 18 1 1 A 73 73 VAL HA H 73 4.760 4.743 0.017 1 1 948 . 18 1 1 A 73 73 VAL C C 73 174.300 173.554 0.746 1 1 949 . 18 1 1 A 73 73 VAL CA C 73 58.800 59.188 -0.388 1 1 950 . 18 1 1 A 73 73 VAL CB C 73 34.500 34.937 -0.437 1 1 953 . 18 1 1 A 73 73 VAL N N 73 118.200 121.045 -2.845 1 1 954 . 18 1 1 A 74 74 VAL H H 74 8.430 8.095 0.335 1 1 955 . 18 1 1 A 74 74 VAL HA H 74 4.560 4.661 -0.101 1 1 963 . 18 1 1 A 74 74 VAL C C 74 177.300 175.713 1.587 1 1 964 . 18 1 1 A 74 74 VAL CA C 74 62.100 60.865 1.235 1 1 965 . 18 1 1 A 74 74 VAL CB C 74 32.700 33.009 -0.309 1 1 968 . 18 1 1 A 74 74 VAL N N 74 127.800 126.656 1.144 1 1 969 . 18 1 1 A 75 75 GLY H H 75 9.040 9.193 -0.153 1 1 970 . 18 1 1 A 75 75 GLY HA2 H 75 3.750 4.261 -0.511 1 1 971 . 18 1 1 A 75 75 GLY HA3 H 75 5.120 4.301 0.819 1 1 972 . 18 1 1 A 75 75 GLY C C 75 172.500 172.996 -0.496 1 1 973 . 18 1 1 A 75 75 GLY CA C 75 43.700 44.042 -0.342 1 1 974 . 18 1 1 A 75 75 GLY N N 75 116.000 115.530 0.470 1 1 975 . 18 1 1 A 76 76 GLU H H 76 8.380 8.492 -0.112 1 1 976 . 18 1 1 A 76 76 GLU HA H 76 4.690 4.755 -0.065 1 1 981 . 18 1 1 A 76 76 GLU C C 76 176.000 174.713 1.287 1 1 982 . 18 1 1 A 76 76 GLU CA C 76 56.100 55.768 0.332 1 1 983 . 18 1 1 A 76 76 GLU CB C 76 32.000 30.043 1.957 1 1 985 . 18 1 1 A 76 76 GLU N N 76 120.200 118.997 1.203 1 1 986 . 18 1 1 A 77 77 TYR H H 77 8.430 8.556 -0.126 1 1 987 . 18 1 1 A 77 77 TYR HA H 77 4.570 4.927 -0.357 1 1 994 . 18 1 1 A 77 77 TYR C C 77 174.200 175.192 -0.992 1 1 995 . 18 1 1 A 77 77 TYR CA C 77 56.500 56.991 -0.491 1 1 996 . 18 1 1 A 77 77 TYR CB C 77 39.800 39.226 0.574 1 1 1001 . 18 1 1 A 77 77 TYR N N 77 124.400 127.715 -3.315 1 1 1002 . 18 1 1 A 78 78 ASN H H 78 9.100 8.731 0.369 1 1 1003 . 18 1 1 A 78 78 ASN HA H 78 4.000 4.147 -0.147 1 1 1008 . 18 1 1 A 78 78 ASN C C 78 177.300 174.788 2.512 1 1 1009 . 18 1 1 A 78 78 ASN CA C 78 54.700 55.104 -0.404 1 1 1010 . 18 1 1 A 78 78 ASN CB C 78 36.600 37.081 -0.481 1 1 1011 . 18 1 1 A 78 78 ASN N N 78 125.800 123.910 1.890 1 1 1013 . 18 1 1 A 79 79 ASP H H 79 8.640 8.651 -0.011 1 1 1014 . 18 1 1 A 79 79 ASP HA H 79 4.240 4.523 -0.283 1 1 1017 . 18 1 1 A 79 79 ASP C C 79 174.600 175.032 -0.432 1 1 1018 . 18 1 1 A 79 79 ASP CA C 79 54.900 53.639 1.261 1 1 1019 . 18 1 1 A 79 79 ASP CB C 79 39.700 40.571 -0.871 1 1 1020 . 18 1 1 A 79 79 ASP N N 79 115.700 122.806 -7.106 1 1 1021 . 18 1 1 A 80 80 ARG H H 80 7.880 7.847 0.033 1 1 1022 . 18 1 1 A 80 80 ARG HA H 80 4.370 4.708 -0.338 1 1 1030 . 18 1 1 A 80 80 ARG C C 80 175.000 174.971 0.029 1 1 1031 . 18 1 1 A 80 80 ARG CA C 80 54.200 54.195 0.005 1 1 1032 . 18 1 1 A 80 80 ARG CB C 80 31.800 32.791 -0.991 1 1 1035 . 18 1 1 A 80 80 ARG N N 80 119.700 119.712 -0.012 1 1 1037 . 18 1 1 A 81 81 PHE H H 81 8.410 8.912 -0.502 1 1 1038 . 18 1 1 A 81 81 PHE HA H 81 5.420 5.172 0.248 1 1 1046 . 18 1 1 A 81 81 PHE C C 81 174.400 175.301 -0.901 1 1 1047 . 18 1 1 A 81 81 PHE CA C 81 57.200 57.260 -0.060 1 1 1048 . 18 1 1 A 81 81 PHE CB C 81 42.000 41.566 0.434 1 1 1054 . 18 1 1 A 81 81 PHE N N 81 120.700 120.344 0.356 1 1 1055 . 18 1 1 A 82 82 GLN H H 82 8.950 8.722 0.228 1 1 1056 . 18 1 1 A 82 82 GLN HA H 82 5.110 5.055 0.055 1 1 1063 . 18 1 1 A 82 82 GLN C C 82 172.400 174.340 -1.940 1 1 1064 . 18 1 1 A 82 82 GLN CA C 82 53.500 54.283 -0.783 1 1 1065 . 18 1 1 A 82 82 GLN CB C 82 31.900 33.232 -1.332 1 1 1067 . 18 1 1 A 82 82 GLN N N 82 115.000 119.576 -4.576 1 1 1069 . 18 1 1 A 83 83 VAL H H 83 9.090 8.432 0.658 1 1 1070 . 18 1 1 A 83 83 VAL HA H 83 4.380 4.762 -0.382 1 1 1078 . 18 1 1 A 83 83 VAL C C 83 174.600 174.758 -0.158 1 1 1079 . 18 1 1 A 83 83 VAL CA C 83 61.600 61.608 -0.008 1 1 1080 . 18 1 1 A 83 83 VAL CB C 83 33.500 32.987 0.513 1 1 1083 . 18 1 1 A 83 83 VAL N N 83 118.900 121.351 -2.451 1 1 1084 . 18 1 1 A 84 84 GLN H H 84 9.280 9.051 0.229 1 1 1085 . 18 1 1 A 84 84 GLN HA H 84 5.020 4.836 0.184 1 1 1092 . 18 1 1 A 84 84 GLN C C 84 174.500 174.701 -0.201 1 1 1093 . 18 1 1 A 84 84 GLN CA C 84 54.400 55.127 -0.727 1 1 1094 . 18 1 1 A 84 84 GLN CB C 84 29.900 30.183 -0.283 1 1 1096 . 18 1 1 A 84 84 GLN N N 84 124.800 127.331 -2.531 1 1 1098 . 18 1 1 A 85 85 VAL H H 85 8.680 8.723 -0.043 1 1 1099 . 18 1 1 A 85 85 VAL HA H 85 4.300 4.888 -0.588 1 1 1107 . 18 1 1 A 85 85 VAL C C 85 174.500 175.478 -0.978 1 1 1108 . 18 1 1 A 85 85 VAL CA C 85 61.700 61.424 0.276 1 1 1109 . 18 1 1 A 85 85 VAL CB C 85 31.700 33.106 -1.406 1 1 1112 . 18 1 1 A 85 85 VAL N N 85 125.500 125.573 -0.073 1 1 1113 . 18 1 1 A 86 86 ASN H H 86 8.740 8.717 0.023 1 1 1114 . 18 1 1 A 86 86 ASN HA H 86 5.240 5.294 -0.054 1 1 1119 . 18 1 1 A 86 86 ASN C C 86 175.300 175.968 -0.668 1 1 1120 . 18 1 1 A 86 86 ASN CA C 86 51.800 51.536 0.264 1 1 1121 . 18 1 1 A 86 86 ASN CB C 86 42.400 41.714 0.686 1 1 1122 . 18 1 1 A 86 86 ASN N N 86 124.000 125.997 -1.997 1 1 1124 . 18 1 1 A 87 87 LYS H H 87 8.530 8.766 -0.236 1 1 1125 . 18 1 1 A 87 87 LYS HA H 87 4.210 4.011 0.199 1 1 1134 . 18 1 1 A 87 87 LYS C C 87 176.700 177.624 -0.924 1 1 1135 . 18 1 1 A 87 87 LYS CA C 87 59.000 59.700 -0.700 1 1 1136 . 18 1 1 A 87 87 LYS CB C 87 32.400 32.157 0.243 1 1 1140 . 18 1 1 A 87 87 LYS N N 87 117.600 122.977 -5.377 1 1 1141 . 18 1 1 A 88 88 ASN H H 88 8.600 8.157 0.443 1 1 1142 . 18 1 1 A 88 88 ASN HA H 88 4.810 4.614 0.196 1 1 1147 . 18 1 1 A 88 88 ASN C C 88 175.600 175.702 -0.102 1 1 1148 . 18 1 1 A 88 88 ASN CA C 88 54.100 55.131 -1.031 1 1 1149 . 18 1 1 A 88 88 ASN CB C 88 39.100 38.414 0.686 1 1 1150 . 18 1 1 A 88 88 ASN N N 88 115.500 117.708 -2.208 1 1 1152 . 18 1 1 A 89 89 SER H H 89 8.150 7.506 0.644 1 1 1153 . 18 1 1 A 89 89 SER HA H 89 5.120 4.822 0.298 1 1 1156 . 18 1 1 A 89 89 SER C C 89 172.400 173.768 -1.368 1 1 1157 . 18 1 1 A 89 89 SER CA C 89 58.100 58.088 0.012 1 1 1158 . 18 1 1 A 89 89 SER CB C 89 64.000 64.321 -0.321 1 1 1159 . 18 1 1 A 89 89 SER N N 89 117.500 115.934 1.566 1 1 1160 . 18 1 1 A 90 90 SER H H 90 8.200 8.386 -0.186 1 1 1161 . 18 1 1 A 90 90 SER HA H 90 4.680 5.298 -0.618 1 1 1164 . 18 1 1 A 90 90 SER C C 90 172.400 173.145 -0.745 1 1 1165 . 18 1 1 A 90 90 SER CA C 90 57.700 57.298 0.402 1 1 1166 . 18 1 1 A 90 90 SER CB C 90 65.700 66.501 -0.801 1 1 1167 . 18 1 1 A 90 90 SER N N 90 113.200 118.887 -5.687 1 1 1168 . 18 1 1 A 91 91 ILE H H 91 8.640 8.935 -0.295 1 1 1169 . 18 1 1 A 91 91 ILE HA H 91 5.030 5.190 -0.160 1 1 1179 . 18 1 1 A 91 91 ILE C C 91 175.300 174.506 0.794 1 1 1180 . 18 1 1 A 91 91 ILE CA C 91 60.200 60.327 -0.127 1 1 1181 . 18 1 1 A 91 91 ILE CB C 91 42.200 40.621 1.579 1 1 1185 . 18 1 1 A 91 91 ILE N N 91 119.700 122.172 -2.472 1 1 1186 . 18 1 1 A 92 92 GLU H H 92 8.810 8.948 -0.138 1 1 1187 . 18 1 1 A 92 92 GLU HA H 92 4.710 5.295 -0.585 1 1 1192 . 18 1 1 A 92 92 GLU C C 92 174.700 175.176 -0.476 1 1 1193 . 18 1 1 A 92 92 GLU CA C 92 54.600 54.569 0.031 1 1 1194 . 18 1 1 A 92 92 GLU CB C 92 33.300 33.495 -0.195 1 1 1196 . 18 1 1 A 92 92 GLU N N 92 125.900 128.678 -2.778 1 1 1197 . 18 1 1 A 93 93 LYS H H 93 9.080 8.801 0.279 1 1 1198 . 18 1 1 A 93 93 LYS HA H 93 4.100 4.237 -0.137 1 1 1207 . 18 1 1 A 93 93 LYS C C 93 176.400 176.059 0.341 1 1 1208 . 18 1 1 A 93 93 LYS CA C 93 57.500 56.950 0.550 1 1 1209 . 18 1 1 A 93 93 LYS CB C 93 32.900 32.943 -0.043 1 1 1213 . 18 1 1 A 93 93 LYS N N 93 127.600 127.161 0.439 1 1 1214 . 18 1 1 A 94 94 LEU H H 94 8.410 8.192 0.218 1 1 1215 . 18 1 1 A 94 94 LEU HA H 94 4.480 4.528 -0.048 1 1 1224 . 18 1 1 A 94 94 LEU C C 94 177.300 176.382 0.918 1 1 1225 . 18 1 1 A 94 94 LEU CA C 94 53.900 54.438 -0.538 1 1 1226 . 18 1 1 A 94 94 LEU CB C 94 42.900 42.450 0.450 1 1 1230 . 18 1 1 A 94 94 LEU N N 94 127.300 127.933 -0.633 1 1 1231 . 18 1 1 A 95 95 SER H H 95 8.630 7.959 0.671 1 1 1232 . 18 1 1 A 95 95 SER HA H 95 4.350 3.986 0.364 1 1 1235 . 18 1 1 A 95 95 SER C C 95 173.800 174.003 -0.203 1 1 1236 . 18 1 1 A 95 95 SER CA C 95 58.900 59.344 -0.444 1 1 1237 . 18 1 1 A 95 95 SER CB C 95 63.400 62.443 0.957 1 1 1238 . 18 1 1 A 95 95 SER N N 95 115.700 114.542 1.158 1 1 1239 . 18 1 1 A 96 96 GLU H H 96 7.230 7.495 -0.265 1 1 1240 . 18 1 1 A 96 96 GLU HA H 96 4.750 4.725 0.025 1 1 1245 . 18 1 1 A 96 96 GLU CA C 96 53.000 53.058 -0.058 1 1 1246 . 18 1 1 A 96 96 GLU CB C 96 30.700 30.291 0.409 1 1 1248 . 18 1 1 A 96 96 GLU N N 96 121.600 121.003 0.597 1 1 1249 . 18 1 1 A 97 97 PRO HA H 97 4.250 4.381 -0.131 1 1 1256 . 18 1 1 A 97 97 PRO CA C 97 62.400 62.963 -0.563 1 1 1257 . 18 1 1 A 97 97 PRO CB C 97 32.600 32.055 0.545 1 1 1260 . 18 1 1 A 98 98 ILE H H 98 7.920 8.424 -0.504 1 1 1261 . 18 1 1 A 98 98 ILE HA H 98 4.070 4.755 -0.685 1 1 1271 . 18 1 1 A 98 98 ILE C C 98 175.400 174.488 0.912 1 1 1272 . 18 1 1 A 98 98 ILE CA C 98 59.300 59.864 -0.564 1 1 1273 . 18 1 1 A 98 98 ILE CB C 98 38.300 39.926 -1.626 1 1 1277 . 18 1 1 A 98 98 ILE N N 98 122.700 121.891 0.809 1 1 1278 . 18 1 1 A 99 99 GLU H H 99 8.550 8.775 -0.225 1 1 1279 . 18 1 1 A 99 99 GLU HA H 99 4.260 4.566 -0.306 1 1 1284 . 18 1 1 A 99 99 GLU C C 99 175.100 177.177 -2.077 1 1 1285 . 18 1 1 A 99 99 GLU CA C 99 55.500 55.554 -0.054 1 1 1286 . 18 1 1 A 99 99 GLU CB C 99 30.000 30.795 -0.795 1 1 1288 . 18 1 1 A 99 99 GLU N N 99 127.900 127.254 0.646 1 1 1289 . 18 1 1 A 100 100 VAL H H 100 7.970 8.762 -0.792 1 1 1290 . 18 1 1 A 100 100 VAL HA H 100 3.980 4.566 -0.586 1 1 1298 . 18 1 1 A 100 100 VAL C C 100 176.700 175.726 0.974 1 1 1299 . 18 1 1 A 100 100 VAL CA C 100 61.000 61.577 -0.577 1 1 1300 . 18 1 1 A 100 100 VAL CB C 100 33.000 32.529 0.471 1 1 1303 . 18 1 1 A 100 100 VAL N N 100 121.100 121.846 -0.746 1 1 1304 . 18 1 1 A 101 101 GLY H H 101 8.520 7.430 1.090 1 1 1305 . 18 1 1 A 101 101 GLY HA2 H 101 3.830 4.112 -0.282 1 1 1306 . 18 1 1 A 101 101 GLY HA3 H 101 3.980 4.125 -0.145 1 1 1307 . 18 1 1 A 101 101 GLY C C 101 174.200 174.458 -0.258 1 1 1308 . 18 1 1 A 101 101 GLY CA C 101 45.800 45.949 -0.149 1 1 1309 . 18 1 1 A 101 101 GLY N N 101 114.000 109.510 4.490 1 1 1310 . 18 1 1 A 102 102 LEU H H 102 8.100 8.515 -0.415 1 1 1311 . 18 1 1 A 102 102 LEU HA H 102 4.170 4.042 0.128 1 1 1320 . 18 1 1 A 102 102 LEU C C 102 177.700 176.269 1.431 1 1 1321 . 18 1 1 A 102 102 LEU CA C 102 55.500 56.548 -1.048 1 1 1322 . 18 1 1 A 102 102 LEU CB C 102 42.600 40.245 2.355 1 1 1326 . 18 1 1 A 102 102 LEU N N 102 121.000 119.844 1.156 1 1 1327 . 18 1 1 A 103 103 GLU H H 103 8.420 8.647 -0.227 1 1 1328 . 18 1 1 A 103 103 GLU HA H 103 4.090 4.171 -0.081 1 1 1333 . 18 1 1 A 103 103 GLU C C 103 176.400 175.681 0.719 1 1 1334 . 18 1 1 A 103 103 GLU CA C 103 57.100 58.586 -1.486 1 1 1335 . 18 1 1 A 103 103 GLU CB C 103 29.900 28.380 1.520 1 1 1337 . 18 1 1 A 103 103 GLU N N 103 120.000 115.059 4.941 1 1 1338 . 18 1 1 A 104 104 HIS H H 104 8.180 8.094 0.086 1 1 1339 . 18 1 1 A 104 104 HIS HA H 104 4.580 5.450 -0.870 1 1 1342 . 18 1 1 A 104 104 HIS C C 104 173.800 173.622 0.178 1 1 1343 . 18 1 1 A 104 104 HIS CA C 104 55.700 54.304 1.396 1 1 1344 . 18 1 1 A 104 104 HIS CB C 104 30.000 32.558 -2.558 1 1 1345 . 18 1 1 A 104 104 HIS N N 104 119.000 115.651 3.349 1 1 1346 . 18 1 1 A 105 105 HIS H H 105 8.160 8.801 -0.641 1 1 1347 . 18 1 1 A 105 105 HIS HA H 105 4.380 4.580 -0.200 1 1 1350 . 18 1 1 A 105 105 HIS CA C 105 57.200 54.690 2.510 1 1 1351 . 18 1 1 A 105 105 HIS CB C 105 30.000 30.753 -0.753 1 1 1 . 19 1 1 A 3 3 PRO HA H 3 4.430 4.517 -0.087 1 1 8 . 19 1 1 A 3 3 PRO C C 3 175.600 176.122 -0.522 1 1 9 . 19 1 1 A 3 3 PRO CA C 3 62.510 62.550 -0.040 1 1 10 . 19 1 1 A 3 3 PRO CB C 3 32.000 31.928 0.072 1 1 13 . 19 1 1 A 4 4 GLN H H 4 8.580 8.482 0.098 1 1 14 . 19 1 1 A 4 4 GLN HA H 4 4.260 4.566 -0.306 1 1 21 . 19 1 1 A 4 4 GLN C C 4 176.900 175.096 1.804 1 1 22 . 19 1 1 A 4 4 GLN CA C 4 55.700 55.384 0.316 1 1 23 . 19 1 1 A 4 4 GLN CB C 4 29.200 29.532 -0.332 1 1 25 . 19 1 1 A 4 4 GLN N N 4 120.000 121.207 -1.207 1 1 27 . 19 1 1 A 5 5 LEU H H 5 8.920 8.903 0.017 1 1 28 . 19 1 1 A 5 5 LEU HA H 5 4.660 4.833 -0.173 1 1 38 . 19 1 1 A 5 5 LEU C C 5 176.900 176.103 0.797 1 1 39 . 19 1 1 A 5 5 LEU CA C 5 54.700 54.172 0.528 1 1 40 . 19 1 1 A 5 5 LEU CB C 5 43.000 43.163 -0.163 1 1 44 . 19 1 1 A 5 5 LEU N N 5 128.500 129.241 -0.741 1 1 45 . 19 1 1 A 6 6 THR H H 6 8.750 8.924 -0.174 1 1 46 . 19 1 1 A 6 6 THR HA H 6 4.530 5.052 -0.522 1 1 51 . 19 1 1 A 6 6 THR C C 6 173.700 173.481 0.219 1 1 52 . 19 1 1 A 6 6 THR CA C 6 61.600 61.133 0.467 1 1 53 . 19 1 1 A 6 6 THR CB C 6 72.000 71.655 0.345 1 1 55 . 19 1 1 A 6 6 THR N N 6 121.000 121.511 -0.511 1 1 56 . 19 1 1 A 7 7 LYS H H 7 9.080 8.820 0.260 1 1 57 . 19 1 1 A 7 7 LYS HA H 7 4.430 4.503 -0.073 1 1 66 . 19 1 1 A 7 7 LYS C C 7 178.600 177.933 0.667 1 1 67 . 19 1 1 A 7 7 LYS CA C 7 54.300 54.508 -0.208 1 1 68 . 19 1 1 A 7 7 LYS CB C 7 32.300 34.211 -1.911 1 1 72 . 19 1 1 A 7 7 LYS N N 7 126.300 124.401 1.899 1 1 73 . 19 1 1 A 8 8 ILE H H 8 9.870 8.687 1.183 1 1 74 . 19 1 1 A 8 8 ILE HA H 8 3.240 3.708 -0.468 1 1 82 . 19 1 1 A 8 8 ILE C C 8 178.700 178.023 0.677 1 1 83 . 19 1 1 A 8 8 ILE CA C 8 66.800 64.280 2.520 1 1 84 . 19 1 1 A 8 8 ILE CB C 8 36.400 37.675 -1.275 1 1 87 . 19 1 1 A 8 8 ILE N N 8 124.700 124.390 0.310 1 1 88 . 19 1 1 A 9 9 VAL H H 9 8.340 7.984 0.356 1 1 89 . 19 1 1 A 9 9 VAL HA H 9 3.930 3.894 0.036 1 1 97 . 19 1 1 A 9 9 VAL C C 9 178.700 176.773 1.927 1 1 98 . 19 1 1 A 9 9 VAL CA C 9 63.300 64.302 -1.002 1 1 99 . 19 1 1 A 9 9 VAL CB C 9 31.700 31.619 0.081 1 1 102 . 19 1 1 A 9 9 VAL N N 9 119.500 121.173 -1.673 1 1 103 . 19 1 1 A 10 10 ASP H H 10 7.510 8.280 -0.770 1 1 104 . 19 1 1 A 10 10 ASP HA H 10 4.730 4.688 0.042 1 1 107 . 19 1 1 A 10 10 ASP C C 10 174.500 176.179 -1.679 1 1 108 . 19 1 1 A 10 10 ASP CA C 10 54.400 53.193 1.207 1 1 109 . 19 1 1 A 10 10 ASP CB C 10 41.100 40.871 0.229 1 1 110 . 19 1 1 A 10 10 ASP N N 10 119.100 119.950 -0.850 1 1 111 . 19 1 1 A 11 11 ILE H H 11 7.460 7.384 0.076 1 1 112 . 19 1 1 A 11 11 ILE HA H 11 3.800 4.112 -0.312 1 1 122 . 19 1 1 A 11 11 ILE C C 11 174.900 176.570 -1.670 1 1 123 . 19 1 1 A 11 11 ILE CA C 11 62.100 60.736 1.364 1 1 124 . 19 1 1 A 11 11 ILE CB C 11 35.300 38.306 -3.006 1 1 128 . 19 1 1 A 11 11 ILE N N 11 124.200 121.590 2.610 1 1 129 . 19 1 1 A 12 12 VAL H H 12 8.530 8.680 -0.150 1 1 130 . 19 1 1 A 12 12 VAL HA H 12 4.260 4.225 0.035 1 1 138 . 19 1 1 A 12 12 VAL C C 12 174.900 175.076 -0.176 1 1 139 . 19 1 1 A 12 12 VAL CA C 12 60.600 61.150 -0.550 1 1 140 . 19 1 1 A 12 12 VAL CB C 12 35.400 33.929 1.471 1 1 143 . 19 1 1 A 12 12 VAL N N 12 118.400 119.125 -0.725 1 1 144 . 19 1 1 A 13 13 GLU H H 13 7.430 7.469 -0.039 1 1 145 . 19 1 1 A 13 13 GLU HA H 13 4.590 4.993 -0.403 1 1 150 . 19 1 1 A 13 13 GLU C C 13 173.800 174.583 -0.783 1 1 151 . 19 1 1 A 13 13 GLU CA C 13 54.800 54.978 -0.178 1 1 152 . 19 1 1 A 13 13 GLU CB C 13 33.160 33.323 -0.163 1 1 154 . 19 1 1 A 13 13 GLU N N 13 120.100 122.862 -2.762 1 1 155 . 19 1 1 A 14 14 ASN H H 14 8.800 8.819 -0.019 1 1 156 . 19 1 1 A 14 14 ASN HA H 14 4.110 4.886 -0.776 1 1 161 . 19 1 1 A 14 14 ASN C C 14 176.600 176.553 0.047 1 1 162 . 19 1 1 A 14 14 ASN CA C 14 54.600 53.317 1.283 1 1 163 . 19 1 1 A 14 14 ASN CB C 14 38.900 39.660 -0.760 1 1 164 . 19 1 1 A 14 14 ASN N N 14 121.500 123.726 -2.226 1 1 166 . 19 1 1 A 15 15 GLY H H 15 8.620 8.701 -0.081 1 1 167 . 19 1 1 A 15 15 GLY HA2 H 15 3.460 3.715 -0.255 1 1 168 . 19 1 1 A 15 15 GLY HA3 H 15 4.110 3.822 0.288 1 1 169 . 19 1 1 A 15 15 GLY C C 15 173.100 173.419 -0.319 1 1 170 . 19 1 1 A 15 15 GLY CA C 15 45.300 45.600 -0.300 1 1 171 . 19 1 1 A 15 15 GLY N N 15 114.900 110.550 4.350 1 1 172 . 19 1 1 A 16 16 GLN H H 16 7.280 7.690 -0.410 1 1 173 . 19 1 1 A 16 16 GLN HA H 16 4.160 4.619 -0.459 1 1 180 . 19 1 1 A 16 16 GLN C C 16 174.400 174.729 -0.329 1 1 181 . 19 1 1 A 16 16 GLN CA C 16 56.300 54.634 1.666 1 1 182 . 19 1 1 A 16 16 GLN CB C 16 30.300 30.339 -0.039 1 1 184 . 19 1 1 A 16 16 GLN N N 16 121.500 120.347 1.153 1 1 186 . 19 1 1 A 17 17 TRP H H 17 8.640 8.816 -0.176 1 1 187 . 19 1 1 A 17 17 TRP HA H 17 5.400 5.569 -0.169 1 1 196 . 19 1 1 A 17 17 TRP C C 17 176.900 176.079 0.821 1 1 197 . 19 1 1 A 17 17 TRP CA C 17 56.400 55.969 0.431 1 1 198 . 19 1 1 A 17 17 TRP CB C 17 30.300 31.134 -0.834 1 1 204 . 19 1 1 A 17 17 TRP N N 17 125.500 125.918 -0.418 1 1 206 . 19 1 1 A 18 18 ALA H H 18 9.020 8.636 0.384 1 1 207 . 19 1 1 A 18 18 ALA HA H 18 4.650 4.872 -0.222 1 1 211 . 19 1 1 A 18 18 ALA C C 18 174.100 175.080 -0.980 1 1 212 . 19 1 1 A 18 18 ALA CA C 18 51.430 51.279 0.151 1 1 213 . 19 1 1 A 18 18 ALA CB C 18 22.600 23.076 -0.476 1 1 214 . 19 1 1 A 18 18 ALA N N 18 124.000 122.480 1.520 1 1 215 . 19 1 1 A 19 19 ASN H H 19 8.250 8.615 -0.365 1 1 216 . 19 1 1 A 19 19 ASN HA H 19 5.710 5.706 0.004 1 1 221 . 19 1 1 A 19 19 ASN C C 19 173.500 173.397 0.103 1 1 222 . 19 1 1 A 19 19 ASN CA C 19 51.600 51.721 -0.121 1 1 223 . 19 1 1 A 19 19 ASN CB C 19 40.100 42.300 -2.200 1 1 224 . 19 1 1 A 19 19 ASN N N 19 116.500 117.134 -0.634 1 1 226 . 19 1 1 A 20 20 LEU H H 20 9.280 8.984 0.296 1 1 227 . 19 1 1 A 20 20 LEU HA H 20 4.930 5.082 -0.152 1 1 236 . 19 1 1 A 20 20 LEU C C 20 174.800 175.630 -0.830 1 1 237 . 19 1 1 A 20 20 LEU CA C 20 54.200 53.372 0.828 1 1 238 . 19 1 1 A 20 20 LEU CB C 20 46.300 46.147 0.153 1 1 241 . 19 1 1 A 20 20 LEU N N 20 121.800 124.747 -2.947 1 1 242 . 19 1 1 A 21 21 LYS H H 21 8.550 8.592 -0.042 1 1 243 . 19 1 1 A 21 21 LYS HA H 21 5.450 5.493 -0.043 1 1 252 . 19 1 1 A 21 21 LYS C C 21 174.800 175.205 -0.405 1 1 253 . 19 1 1 A 21 21 LYS CA C 21 55.350 54.734 0.616 1 1 254 . 19 1 1 A 21 21 LYS CB C 21 34.300 35.897 -1.597 1 1 258 . 19 1 1 A 21 21 LYS N N 21 122.500 123.390 -0.890 1 1 259 . 19 1 1 A 22 22 ALA H H 22 9.090 8.406 0.684 1 1 260 . 19 1 1 A 22 22 ALA HA H 22 4.830 4.778 0.052 1 1 264 . 19 1 1 A 22 22 ALA C C 22 173.800 175.134 -1.334 1 1 265 . 19 1 1 A 22 22 ALA CA C 22 51.300 51.116 0.184 1 1 266 . 19 1 1 A 22 22 ALA CB C 22 24.700 23.222 1.478 1 1 267 . 19 1 1 A 22 22 ALA N N 22 123.200 126.857 -3.657 1 1 268 . 19 1 1 A 23 23 LYS H H 23 9.190 8.306 0.884 1 1 269 . 19 1 1 A 23 23 LYS HA H 23 5.080 5.092 -0.012 1 1 276 . 19 1 1 A 23 23 LYS C C 23 176.900 175.642 1.258 1 1 277 . 19 1 1 A 23 23 LYS CA C 23 54.100 54.643 -0.543 1 1 278 . 19 1 1 A 23 23 LYS CB C 23 35.800 35.249 0.551 1 1 281 . 19 1 1 A 23 23 LYS N N 23 121.100 120.020 1.080 1 1 282 . 19 1 1 A 24 24 VAL H H 24 8.620 8.644 -0.024 1 1 283 . 19 1 1 A 24 24 VAL HA H 24 4.110 4.176 -0.066 1 1 291 . 19 1 1 A 24 24 VAL C C 24 175.800 176.803 -1.003 1 1 292 . 19 1 1 A 24 24 VAL CA C 24 62.750 62.918 -0.168 1 1 293 . 19 1 1 A 24 24 VAL CB C 24 30.500 30.996 -0.496 1 1 296 . 19 1 1 A 24 24 VAL N N 24 125.600 126.262 -0.662 1 1 297 . 19 1 1 A 25 25 ILE H H 25 8.430 8.755 -0.325 1 1 298 . 19 1 1 A 25 25 ILE HA H 25 4.210 4.208 0.002 1 1 308 . 19 1 1 A 25 25 ILE C C 25 176.700 175.971 0.729 1 1 309 . 19 1 1 A 25 25 ILE CA C 25 62.100 62.414 -0.314 1 1 310 . 19 1 1 A 25 25 ILE CB C 25 38.300 38.424 -0.124 1 1 314 . 19 1 1 A 25 25 ILE N N 25 127.400 123.919 3.481 1 1 315 . 19 1 1 A 26 26 GLN H H 26 7.590 7.647 -0.057 1 1 316 . 19 1 1 A 26 26 GLN HA H 26 4.560 4.756 -0.196 1 1 323 . 19 1 1 A 26 26 GLN C C 26 173.700 174.004 -0.304 1 1 324 . 19 1 1 A 26 26 GLN CA C 26 55.400 55.563 -0.163 1 1 325 . 19 1 1 A 26 26 GLN CB C 26 34.100 32.392 1.708 1 1 327 . 19 1 1 A 26 26 GLN N N 26 117.100 120.312 -3.212 1 1 329 . 19 1 1 A 27 27 LEU H H 27 8.470 8.694 -0.224 1 1 330 . 19 1 1 A 27 27 LEU HA H 27 4.710 5.439 -0.729 1 1 340 . 19 1 1 A 27 27 LEU C C 27 176.200 175.437 0.763 1 1 341 . 19 1 1 A 27 27 LEU CA C 27 54.100 53.326 0.774 1 1 342 . 19 1 1 A 27 27 LEU CB C 27 44.000 46.258 -2.258 1 1 346 . 19 1 1 A 27 27 LEU N N 27 123.600 120.570 3.030 1 1 347 . 19 1 1 A 28 28 TRP H H 28 8.850 8.617 0.233 1 1 348 . 19 1 1 A 28 28 TRP HA H 28 5.180 5.117 0.063 1 1 357 . 19 1 1 A 28 28 TRP C C 28 175.900 174.404 1.496 1 1 358 . 19 1 1 A 28 28 TRP CA C 28 53.300 56.119 -2.819 1 1 359 . 19 1 1 A 28 28 TRP CB C 28 31.400 32.119 -0.719 1 1 365 . 19 1 1 A 28 28 TRP N N 28 123.900 122.237 1.663 1 1 367 . 19 1 1 A 29 29 GLU H H 29 8.620 8.787 -0.167 1 1 368 . 19 1 1 A 29 29 GLU HA H 29 4.250 4.487 -0.237 1 1 373 . 19 1 1 A 29 29 GLU C C 29 175.700 175.395 0.305 1 1 374 . 19 1 1 A 29 29 GLU CA C 29 56.800 57.042 -0.242 1 1 375 . 19 1 1 A 29 29 GLU CB C 29 30.000 30.378 -0.378 1 1 377 . 19 1 1 A 29 29 GLU N N 29 120.700 129.126 -8.426 1 1 378 . 19 1 1 A 30 30 ASN H H 30 8.720 8.581 0.139 1 1 379 . 19 1 1 A 30 30 ASN HA H 30 4.870 5.488 -0.618 1 1 384 . 19 1 1 A 30 30 ASN C C 30 174.800 174.476 0.324 1 1 385 . 19 1 1 A 30 30 ASN CA C 30 53.800 51.983 1.817 1 1 386 . 19 1 1 A 30 30 ASN CB C 30 41.200 41.736 -0.536 1 1 387 . 19 1 1 A 30 30 ASN N N 30 121.400 125.605 -4.205 1 1 389 . 19 1 1 A 31 31 THR H H 31 8.300 8.625 -0.325 1 1 390 . 19 1 1 A 31 31 THR HA H 31 4.430 4.902 -0.472 1 1 395 . 19 1 1 A 31 31 THR C C 31 174.200 175.310 -1.110 1 1 396 . 19 1 1 A 31 31 THR CA C 31 61.000 60.744 0.256 1 1 397 . 19 1 1 A 31 31 THR CB C 31 69.600 68.861 0.739 1 1 399 . 19 1 1 A 31 31 THR N N 31 114.200 115.117 -0.917 1 1 400 . 19 1 1 A 32 32 HIS H H 32 7.840 7.715 0.125 1 1 401 . 19 1 1 A 32 32 HIS HA H 32 4.560 4.112 0.448 1 1 405 . 19 1 1 A 32 32 HIS C C 32 177.300 176.724 0.576 1 1 406 . 19 1 1 A 32 32 HIS CA C 32 57.600 60.208 -2.608 1 1 407 . 19 1 1 A 32 32 HIS CB C 32 32.000 30.263 1.737 1 1 409 . 19 1 1 A 32 32 HIS N N 32 122.500 121.289 1.211 1 1 410 . 19 1 1 A 33 33 GLU H H 33 9.020 8.337 0.683 1 1 411 . 19 1 1 A 33 33 GLU HA H 33 4.120 3.888 0.232 1 1 416 . 19 1 1 A 33 33 GLU C C 33 177.100 177.703 -0.603 1 1 417 . 19 1 1 A 33 33 GLU CA C 33 59.000 58.362 0.638 1 1 418 . 19 1 1 A 33 33 GLU CB C 33 29.400 29.703 -0.303 1 1 420 . 19 1 1 A 33 33 GLU N N 33 127.300 119.544 7.756 1 1 421 . 19 1 1 A 34 34 SER H H 34 9.430 8.134 1.296 1 1 422 . 19 1 1 A 34 34 SER HA H 34 4.580 4.832 -0.252 1 1 425 . 19 1 1 A 34 34 SER C C 34 174.800 173.971 0.829 1 1 426 . 19 1 1 A 34 34 SER CA C 34 59.500 58.002 1.498 1 1 427 . 19 1 1 A 34 34 SER CB C 34 63.600 64.337 -0.737 1 1 428 . 19 1 1 A 34 34 SER N N 34 113.400 116.594 -3.194 1 1 429 . 19 1 1 A 35 35 ILE H H 35 7.920 7.525 0.395 1 1 430 . 19 1 1 A 35 35 ILE HA H 35 4.080 3.902 0.178 1 1 440 . 19 1 1 A 35 35 ILE C C 35 174.300 175.985 -1.685 1 1 441 . 19 1 1 A 35 35 ILE CA C 35 61.600 61.752 -0.152 1 1 442 . 19 1 1 A 35 35 ILE CB C 35 40.700 37.734 2.966 1 1 446 . 19 1 1 A 35 35 ILE N N 35 125.800 123.137 2.663 1 1 447 . 19 1 1 A 36 36 SER H H 36 9.010 8.894 0.116 1 1 448 . 19 1 1 A 36 36 SER HA H 36 4.480 4.463 0.017 1 1 451 . 19 1 1 A 36 36 SER C C 36 174.900 173.690 1.210 1 1 452 . 19 1 1 A 36 36 SER CA C 36 58.800 60.171 -1.371 1 1 453 . 19 1 1 A 36 36 SER CB C 36 64.300 63.537 0.763 1 1 454 . 19 1 1 A 36 36 SER N N 36 119.100 122.335 -3.235 1 1 455 . 19 1 1 A 37 37 GLN H H 37 7.390 7.234 0.156 1 1 456 . 19 1 1 A 37 37 GLN HA H 37 4.690 4.689 0.001 1 1 463 . 19 1 1 A 37 37 GLN C C 37 171.800 173.334 -1.534 1 1 464 . 19 1 1 A 37 37 GLN CA C 37 54.900 55.117 -0.217 1 1 465 . 19 1 1 A 37 37 GLN CB C 37 36.200 32.157 4.043 1 1 466 . 19 1 1 A 37 37 GLN N N 37 116.500 118.662 -2.162 1 1 468 . 19 1 1 A 38 38 VAL H H 38 8.640 8.366 0.274 1 1 469 . 19 1 1 A 38 38 VAL HA H 38 4.160 4.524 -0.364 1 1 477 . 19 1 1 A 38 38 VAL C C 38 172.400 175.172 -2.772 1 1 478 . 19 1 1 A 38 38 VAL CA C 38 58.500 60.246 -1.746 1 1 479 . 19 1 1 A 38 38 VAL CB C 38 35.300 35.425 -0.125 1 1 482 . 19 1 1 A 38 38 VAL N N 38 120.400 123.490 -3.090 1 1 483 . 19 1 1 A 39 39 GLY H H 39 6.440 6.968 -0.528 1 1 484 . 19 1 1 A 39 39 GLY HA2 H 39 3.690 4.288 -0.598 1 1 485 . 19 1 1 A 39 39 GLY HA3 H 39 1.940 4.350 -2.410 1 1 486 . 19 1 1 A 39 39 GLY C C 39 170.600 171.754 -1.154 1 1 487 . 19 1 1 A 39 39 GLY CA C 39 45.300 45.878 -0.578 1 1 488 . 19 1 1 A 39 39 GLY N N 39 109.600 111.688 -2.088 1 1 489 . 19 1 1 A 40 40 LEU H H 40 8.380 8.493 -0.113 1 1 490 . 19 1 1 A 40 40 LEU HA H 40 4.980 5.554 -0.574 1 1 499 . 19 1 1 A 40 40 LEU C C 40 176.000 175.677 0.323 1 1 500 . 19 1 1 A 40 40 LEU CA C 40 53.200 53.592 -0.392 1 1 501 . 19 1 1 A 40 40 LEU CB C 40 47.400 45.811 1.589 1 1 504 . 19 1 1 A 40 40 LEU N N 40 119.500 122.270 -2.770 1 1 505 . 19 1 1 A 41 41 LEU H H 41 9.410 9.258 0.152 1 1 506 . 19 1 1 A 41 41 LEU HA H 41 5.320 5.136 0.184 1 1 516 . 19 1 1 A 41 41 LEU C C 41 176.700 175.636 1.064 1 1 517 . 19 1 1 A 41 41 LEU CA C 41 52.400 52.909 -0.509 1 1 518 . 19 1 1 A 41 41 LEU CB C 41 44.900 44.032 0.868 1 1 522 . 19 1 1 A 41 41 LEU N N 41 122.700 122.312 0.388 1 1 523 . 19 1 1 A 42 42 GLY H H 42 9.210 9.932 -0.722 1 1 524 . 19 1 1 A 42 42 GLY HA2 H 42 3.550 4.070 -0.520 1 1 525 . 19 1 1 A 42 42 GLY HA3 H 42 5.350 4.072 1.278 1 1 526 . 19 1 1 A 42 42 GLY C C 42 171.200 172.650 -1.450 1 1 527 . 19 1 1 A 42 42 GLY CA C 42 45.700 45.615 0.085 1 1 528 . 19 1 1 A 42 42 GLY N N 42 104.600 112.352 -7.752 1 1 529 . 19 1 1 A 43 43 ASP H H 43 8.960 8.957 0.003 1 1 530 . 19 1 1 A 43 43 ASP HA H 43 4.640 4.908 -0.268 1 1 533 . 19 1 1 A 43 43 ASP C C 43 175.600 177.430 -1.830 1 1 534 . 19 1 1 A 43 43 ASP CA C 43 52.700 53.337 -0.637 1 1 535 . 19 1 1 A 43 43 ASP CB C 43 41.600 42.552 -0.952 1 1 536 . 19 1 1 A 43 43 ASP N N 43 121.900 126.629 -4.729 1 1 537 . 19 1 1 A 44 44 GLU H H 44 10.150 9.042 1.108 1 1 538 . 19 1 1 A 44 44 GLU HA H 44 4.380 4.107 0.273 1 1 543 . 19 1 1 A 44 44 GLU C C 44 176.900 176.957 -0.057 1 1 544 . 19 1 1 A 44 44 GLU CA C 44 59.300 58.596 0.704 1 1 545 . 19 1 1 A 44 44 GLU CB C 44 28.100 29.001 -0.901 1 1 547 . 19 1 1 A 44 44 GLU N N 44 118.000 121.064 -3.064 1 1 548 . 19 1 1 A 45 45 THR H H 45 9.600 7.735 1.865 1 1 549 . 19 1 1 A 45 45 THR HA H 45 4.580 4.497 0.083 1 1 554 . 19 1 1 A 45 45 THR C C 45 174.800 173.890 0.910 1 1 555 . 19 1 1 A 45 45 THR CA C 45 61.700 62.243 -0.543 1 1 556 . 19 1 1 A 45 45 THR CB C 45 70.000 69.603 0.397 1 1 558 . 19 1 1 A 45 45 THR N N 45 112.000 109.352 2.648 1 1 559 . 19 1 1 A 46 46 GLY H H 46 7.640 7.241 0.399 1 1 560 . 19 1 1 A 46 46 GLY HA2 H 46 3.830 4.119 -0.289 1 1 561 . 19 1 1 A 46 46 GLY HA3 H 46 4.000 4.119 -0.119 1 1 562 . 19 1 1 A 46 46 GLY C C 46 169.400 171.504 -2.104 1 1 563 . 19 1 1 A 46 46 GLY CA C 46 46.000 45.343 0.657 1 1 564 . 19 1 1 A 46 46 GLY N N 46 110.600 107.842 2.758 1 1 565 . 19 1 1 A 47 47 ILE H H 47 8.000 8.514 -0.514 1 1 566 . 19 1 1 A 47 47 ILE HA H 47 5.450 5.359 0.091 1 1 576 . 19 1 1 A 47 47 ILE C C 47 175.200 174.177 1.023 1 1 577 . 19 1 1 A 47 47 ILE CA C 47 59.100 58.580 0.520 1 1 578 . 19 1 1 A 47 47 ILE CB C 47 42.400 42.449 -0.049 1 1 582 . 19 1 1 A 47 47 ILE N N 47 113.900 118.609 -4.709 1 1 583 . 19 1 1 A 48 48 ILE H H 48 9.340 8.373 0.967 1 1 584 . 19 1 1 A 48 48 ILE HA H 48 4.640 4.824 -0.184 1 1 594 . 19 1 1 A 48 48 ILE C C 48 171.500 174.244 -2.744 1 1 595 . 19 1 1 A 48 48 ILE CA C 48 60.600 59.272 1.328 1 1 596 . 19 1 1 A 48 48 ILE CB C 48 42.000 41.743 0.257 1 1 600 . 19 1 1 A 48 48 ILE N N 48 123.600 121.982 1.618 1 1 601 . 19 1 1 A 49 49 LYS H H 49 8.350 8.303 0.047 1 1 602 . 19 1 1 A 49 49 LYS HA H 49 4.820 4.833 -0.013 1 1 611 . 19 1 1 A 49 49 LYS C C 49 174.700 176.105 -1.405 1 1 612 . 19 1 1 A 49 49 LYS CA C 49 56.400 56.382 0.018 1 1 613 . 19 1 1 A 49 49 LYS CB C 49 33.800 34.489 -0.689 1 1 617 . 19 1 1 A 49 49 LYS N N 49 129.100 126.700 2.400 1 1 618 . 19 1 1 A 50 50 PHE H H 50 8.570 8.113 0.457 1 1 619 . 19 1 1 A 50 50 PHE HA H 50 5.820 5.248 0.572 1 1 627 . 19 1 1 A 50 50 PHE C C 50 172.100 172.155 -0.055 1 1 628 . 19 1 1 A 50 50 PHE CA C 50 54.800 56.440 -1.640 1 1 629 . 19 1 1 A 50 50 PHE CB C 50 43.900 41.824 2.076 1 1 635 . 19 1 1 A 50 50 PHE N N 50 122.700 116.943 5.757 1 1 636 . 19 1 1 A 51 51 THR H H 51 8.190 8.616 -0.426 1 1 637 . 19 1 1 A 51 51 THR HA H 51 4.320 4.914 -0.594 1 1 642 . 19 1 1 A 51 51 THR C C 51 172.900 172.698 0.202 1 1 643 . 19 1 1 A 51 51 THR CA C 51 61.700 59.704 1.996 1 1 644 . 19 1 1 A 51 51 THR CB C 51 72.500 70.987 1.513 1 1 646 . 19 1 1 A 51 51 THR N N 51 114.400 114.405 -0.005 1 1 647 . 19 1 1 A 52 52 ILE H H 52 8.880 8.878 0.002 1 1 648 . 19 1 1 A 52 52 ILE HA H 52 4.650 4.701 -0.051 1 1 658 . 19 1 1 A 52 52 ILE C C 52 176.000 175.119 0.881 1 1 659 . 19 1 1 A 52 52 ILE CA C 52 60.500 60.188 0.312 1 1 660 . 19 1 1 A 52 52 ILE CB C 52 38.900 39.731 -0.831 1 1 664 . 19 1 1 A 52 52 ILE N N 52 123.400 127.530 -4.130 1 1 665 . 19 1 1 A 53 53 TRP H H 53 8.020 8.627 -0.607 1 1 666 . 19 1 1 A 53 53 TRP HA H 53 4.740 4.853 -0.113 1 1 675 . 19 1 1 A 53 53 TRP C C 53 177.500 177.416 0.084 1 1 676 . 19 1 1 A 53 53 TRP CA C 53 57.700 57.420 0.280 1 1 677 . 19 1 1 A 53 53 TRP CB C 53 30.400 30.341 0.059 1 1 683 . 19 1 1 A 53 53 TRP N N 53 129.500 128.815 0.685 1 1 685 . 19 1 1 A 54 54 LYS H H 54 8.980 8.799 0.181 1 1 686 . 19 1 1 A 54 54 LYS HA H 54 4.100 4.085 0.015 1 1 695 . 19 1 1 A 54 54 LYS C C 54 177.700 178.424 -0.724 1 1 696 . 19 1 1 A 54 54 LYS CA C 54 59.400 60.020 -0.620 1 1 697 . 19 1 1 A 54 54 LYS CB C 54 32.400 32.195 0.205 1 1 701 . 19 1 1 A 54 54 LYS N N 54 125.500 124.176 1.324 1 1 702 . 19 1 1 A 55 55 ASN H H 55 8.600 8.347 0.253 1 1 703 . 19 1 1 A 55 55 ASN HA H 55 4.510 4.642 -0.132 1 1 708 . 19 1 1 A 55 55 ASN C C 55 175.300 176.941 -1.641 1 1 709 . 19 1 1 A 55 55 ASN CA C 55 53.700 55.164 -1.464 1 1 710 . 19 1 1 A 55 55 ASN CB C 55 37.100 38.197 -1.097 1 1 711 . 19 1 1 A 55 55 ASN N N 55 115.400 117.271 -1.871 1 1 713 . 19 1 1 A 56 56 ALA H H 56 7.630 8.080 -0.450 1 1 714 . 19 1 1 A 56 56 ALA HA H 56 3.970 4.361 -0.391 1 1 718 . 19 1 1 A 56 56 ALA C C 56 176.100 177.044 -0.944 1 1 719 . 19 1 1 A 56 56 ALA CA C 56 53.500 53.365 0.135 1 1 720 . 19 1 1 A 56 56 ALA CB C 56 18.400 19.750 -1.350 1 1 721 . 19 1 1 A 56 56 ALA N N 56 121.200 121.112 0.088 1 1 722 . 19 1 1 A 57 57 GLU H H 57 7.880 8.086 -0.206 1 1 723 . 19 1 1 A 57 57 GLU HA H 57 3.940 3.884 0.056 1 1 728 . 19 1 1 A 57 57 GLU C C 57 175.400 174.905 0.495 1 1 729 . 19 1 1 A 57 57 GLU CA C 57 56.700 57.346 -0.646 1 1 730 . 19 1 1 A 57 57 GLU CB C 57 27.300 27.244 0.056 1 1 732 . 19 1 1 A 57 57 GLU N N 57 112.500 114.581 -2.081 1 1 733 . 19 1 1 A 58 58 LEU H H 58 7.910 7.856 0.054 1 1 734 . 19 1 1 A 58 58 LEU HA H 58 4.740 4.789 -0.049 1 1 744 . 19 1 1 A 58 58 LEU C C 58 175.400 174.551 0.849 1 1 745 . 19 1 1 A 58 58 LEU CA C 58 52.300 51.821 0.479 1 1 746 . 19 1 1 A 58 58 LEU CB C 58 42.900 42.957 -0.057 1 1 750 . 19 1 1 A 58 58 LEU N N 58 120.000 120.238 -0.238 1 1 751 . 19 1 1 A 59 59 PRO HA H 59 4.380 4.487 -0.107 1 1 758 . 19 1 1 A 59 59 PRO CA C 59 62.200 63.056 -0.856 1 1 759 . 19 1 1 A 59 59 PRO CB C 59 32.000 31.977 0.023 1 1 762 . 19 1 1 A 60 60 LEU H H 60 7.860 8.240 -0.380 1 1 763 . 19 1 1 A 60 60 LEU HA H 60 3.920 4.412 -0.492 1 1 773 . 19 1 1 A 60 60 LEU C C 60 178.300 177.301 0.999 1 1 774 . 19 1 1 A 60 60 LEU CA C 60 55.000 54.821 0.179 1 1 775 . 19 1 1 A 60 60 LEU CB C 60 41.800 42.517 -0.717 1 1 779 . 19 1 1 A 60 60 LEU N N 60 117.500 123.941 -6.441 1 1 780 . 19 1 1 A 61 61 LEU H H 61 9.680 8.355 1.325 1 1 781 . 19 1 1 A 61 61 LEU HA H 61 4.040 3.894 0.146 1 1 791 . 19 1 1 A 61 61 LEU C C 61 177.300 176.313 0.987 1 1 792 . 19 1 1 A 61 61 LEU CA C 61 54.100 54.281 -0.181 1 1 793 . 19 1 1 A 61 61 LEU CB C 61 41.300 42.101 -0.801 1 1 797 . 19 1 1 A 61 61 LEU N N 61 122.300 123.928 -1.628 1 1 798 . 19 1 1 A 62 62 GLU H H 62 8.390 8.899 -0.509 1 1 799 . 19 1 1 A 62 62 GLU HA H 62 4.430 4.956 -0.526 1 1 804 . 19 1 1 A 62 62 GLU C C 62 175.600 176.554 -0.954 1 1 805 . 19 1 1 A 62 62 GLU CA C 62 54.800 55.003 -0.203 1 1 806 . 19 1 1 A 62 62 GLU CB C 62 32.200 32.196 0.004 1 1 808 . 19 1 1 A 62 62 GLU N N 62 120.500 123.542 -3.042 1 1 809 . 19 1 1 A 63 63 GLN H H 63 8.780 8.757 0.023 1 1 810 . 19 1 1 A 63 63 GLN HA H 63 3.700 4.039 -0.339 1 1 817 . 19 1 1 A 63 63 GLN C C 63 176.600 176.842 -0.242 1 1 818 . 19 1 1 A 63 63 GLN CA C 63 58.100 57.632 0.468 1 1 819 . 19 1 1 A 63 63 GLN CB C 63 28.300 28.668 -0.368 1 1 821 . 19 1 1 A 63 63 GLN N N 63 123.300 125.520 -2.220 1 1 823 . 19 1 1 A 64 64 GLY H H 64 9.140 8.819 0.321 1 1 824 . 19 1 1 A 64 64 GLY HA2 H 64 3.580 3.973 -0.393 1 1 825 . 19 1 1 A 64 64 GLY HA3 H 64 4.390 3.976 0.414 1 1 826 . 19 1 1 A 64 64 GLY C C 64 173.900 173.849 0.051 1 1 827 . 19 1 1 A 64 64 GLY CA C 64 45.300 45.016 0.284 1 1 828 . 19 1 1 A 64 64 GLY N N 64 115.100 114.889 0.211 1 1 829 . 19 1 1 A 65 65 GLU H H 65 7.590 7.575 0.015 1 1 830 . 19 1 1 A 65 65 GLU HA H 65 4.490 4.613 -0.123 1 1 835 . 19 1 1 A 65 65 GLU C C 65 174.200 175.824 -1.624 1 1 836 . 19 1 1 A 65 65 GLU CA C 65 54.900 54.578 0.322 1 1 837 . 19 1 1 A 65 65 GLU CB C 65 30.500 31.457 -0.957 1 1 839 . 19 1 1 A 65 65 GLU N N 65 120.300 120.442 -0.142 1 1 840 . 19 1 1 A 66 66 SER H H 66 8.700 8.281 0.419 1 1 841 . 19 1 1 A 66 66 SER HA H 66 5.330 5.003 0.327 1 1 844 . 19 1 1 A 66 66 SER C C 66 174.100 173.307 0.793 1 1 845 . 19 1 1 A 66 66 SER CA C 66 58.300 57.116 1.184 1 1 846 . 19 1 1 A 66 66 SER CB C 66 65.500 64.703 0.797 1 1 847 . 19 1 1 A 66 66 SER N N 66 116.500 115.131 1.369 1 1 848 . 19 1 1 A 67 67 TYR H H 67 9.090 8.851 0.239 1 1 849 . 19 1 1 A 67 67 TYR HA H 67 5.110 5.045 0.065 1 1 856 . 19 1 1 A 67 67 TYR C C 67 173.900 174.315 -0.415 1 1 857 . 19 1 1 A 67 67 TYR CA C 67 57.500 56.160 1.340 1 1 858 . 19 1 1 A 67 67 TYR CB C 67 43.900 43.090 0.810 1 1 863 . 19 1 1 A 67 67 TYR N N 67 119.000 120.201 -1.201 1 1 864 . 19 1 1 A 68 68 LEU H H 68 9.230 9.268 -0.038 1 1 865 . 19 1 1 A 68 68 LEU HA H 68 5.000 5.228 -0.228 1 1 875 . 19 1 1 A 68 68 LEU C C 68 175.300 174.502 0.798 1 1 876 . 19 1 1 A 68 68 LEU CA C 68 54.300 53.751 0.549 1 1 877 . 19 1 1 A 68 68 LEU CB C 68 43.800 45.212 -1.412 1 1 881 . 19 1 1 A 68 68 LEU N N 68 121.800 124.631 -2.831 1 1 882 . 19 1 1 A 69 69 LEU H H 69 9.460 9.006 0.454 1 1 883 . 19 1 1 A 69 69 LEU HA H 69 5.010 5.080 -0.070 1 1 893 . 19 1 1 A 69 69 LEU C C 69 175.000 175.547 -0.547 1 1 894 . 19 1 1 A 69 69 LEU CA C 69 54.100 53.719 0.381 1 1 895 . 19 1 1 A 69 69 LEU CB C 69 42.300 43.408 -1.108 1 1 899 . 19 1 1 A 69 69 LEU N N 69 128.500 128.172 0.328 1 1 900 . 19 1 1 A 70 70 ARG H H 70 8.910 8.470 0.440 1 1 901 . 19 1 1 A 70 70 ARG HA H 70 4.850 5.000 -0.150 1 1 909 . 19 1 1 A 70 70 ARG C C 70 176.400 175.795 0.605 1 1 910 . 19 1 1 A 70 70 ARG CA C 70 54.900 54.844 0.056 1 1 911 . 19 1 1 A 70 70 ARG CB C 70 32.300 32.794 -0.494 1 1 914 . 19 1 1 A 70 70 ARG N N 70 121.500 123.987 -2.487 1 1 916 . 19 1 1 A 71 71 SER H H 71 8.800 8.645 0.155 1 1 917 . 19 1 1 A 71 71 SER HA H 71 3.870 4.125 -0.255 1 1 920 . 19 1 1 A 71 71 SER C C 71 175.800 173.314 2.486 1 1 921 . 19 1 1 A 71 71 SER CA C 71 58.600 58.972 -0.372 1 1 922 . 19 1 1 A 71 71 SER CB C 71 62.000 61.621 0.379 1 1 923 . 19 1 1 A 71 71 SER N N 71 114.400 113.333 1.067 1 1 924 . 19 1 1 A 72 72 VAL H H 72 8.750 7.649 1.101 1 1 925 . 19 1 1 A 72 72 VAL HA H 72 4.610 5.013 -0.403 1 1 933 . 19 1 1 A 72 72 VAL C C 72 173.300 173.990 -0.690 1 1 934 . 19 1 1 A 72 72 VAL CA C 72 59.300 59.486 -0.186 1 1 935 . 19 1 1 A 72 72 VAL CB C 72 31.900 34.568 -2.668 1 1 938 . 19 1 1 A 72 72 VAL N N 72 115.500 115.712 -0.212 1 1 939 . 19 1 1 A 73 73 VAL H H 73 7.940 8.834 -0.894 1 1 940 . 19 1 1 A 73 73 VAL HA H 73 4.760 4.623 0.137 1 1 948 . 19 1 1 A 73 73 VAL C C 73 174.300 173.554 0.746 1 1 949 . 19 1 1 A 73 73 VAL CA C 73 58.800 59.216 -0.416 1 1 950 . 19 1 1 A 73 73 VAL CB C 73 34.500 34.660 -0.160 1 1 953 . 19 1 1 A 73 73 VAL N N 73 118.200 121.807 -3.607 1 1 954 . 19 1 1 A 74 74 VAL H H 74 8.430 8.015 0.415 1 1 955 . 19 1 1 A 74 74 VAL HA H 74 4.560 4.453 0.107 1 1 963 . 19 1 1 A 74 74 VAL C C 74 177.300 175.692 1.608 1 1 964 . 19 1 1 A 74 74 VAL CA C 74 62.100 61.025 1.075 1 1 965 . 19 1 1 A 74 74 VAL CB C 74 32.700 31.982 0.718 1 1 968 . 19 1 1 A 74 74 VAL N N 74 127.800 126.834 0.966 1 1 969 . 19 1 1 A 75 75 GLY H H 75 9.040 9.018 0.022 1 1 970 . 19 1 1 A 75 75 GLY HA2 H 75 3.750 4.293 -0.543 1 1 971 . 19 1 1 A 75 75 GLY HA3 H 75 5.120 4.322 0.798 1 1 972 . 19 1 1 A 75 75 GLY C C 75 172.500 171.898 0.602 1 1 973 . 19 1 1 A 75 75 GLY CA C 75 43.700 43.863 -0.163 1 1 974 . 19 1 1 A 75 75 GLY N N 75 116.000 115.738 0.262 1 1 975 . 19 1 1 A 76 76 GLU H H 76 8.380 8.640 -0.260 1 1 976 . 19 1 1 A 76 76 GLU HA H 76 4.690 4.968 -0.278 1 1 981 . 19 1 1 A 76 76 GLU C C 76 176.000 174.477 1.523 1 1 982 . 19 1 1 A 76 76 GLU CA C 76 56.100 55.267 0.833 1 1 983 . 19 1 1 A 76 76 GLU CB C 76 32.000 31.989 0.011 1 1 985 . 19 1 1 A 76 76 GLU N N 76 120.200 122.024 -1.824 1 1 986 . 19 1 1 A 77 77 TYR H H 77 8.430 8.682 -0.252 1 1 987 . 19 1 1 A 77 77 TYR HA H 77 4.570 4.899 -0.329 1 1 994 . 19 1 1 A 77 77 TYR C C 77 174.200 175.072 -0.872 1 1 995 . 19 1 1 A 77 77 TYR CA C 77 56.500 57.388 -0.888 1 1 996 . 19 1 1 A 77 77 TYR CB C 77 39.800 41.523 -1.723 1 1 1001 . 19 1 1 A 77 77 TYR N N 77 124.400 128.373 -3.973 1 1 1002 . 19 1 1 A 78 78 ASN H H 78 9.100 8.656 0.444 1 1 1003 . 19 1 1 A 78 78 ASN HA H 78 4.000 4.096 -0.096 1 1 1008 . 19 1 1 A 78 78 ASN C C 78 177.300 174.946 2.354 1 1 1009 . 19 1 1 A 78 78 ASN CA C 78 54.700 55.131 -0.431 1 1 1010 . 19 1 1 A 78 78 ASN CB C 78 36.600 36.879 -0.279 1 1 1011 . 19 1 1 A 78 78 ASN N N 78 125.800 124.492 1.308 1 1 1013 . 19 1 1 A 79 79 ASP H H 79 8.640 8.411 0.229 1 1 1014 . 19 1 1 A 79 79 ASP HA H 79 4.240 4.622 -0.382 1 1 1017 . 19 1 1 A 79 79 ASP C C 79 174.600 175.529 -0.929 1 1 1018 . 19 1 1 A 79 79 ASP CA C 79 54.900 53.384 1.516 1 1 1019 . 19 1 1 A 79 79 ASP CB C 79 39.700 42.835 -3.135 1 1 1020 . 19 1 1 A 79 79 ASP N N 79 115.700 120.192 -4.492 1 1 1021 . 19 1 1 A 80 80 ARG H H 80 7.880 7.462 0.418 1 1 1022 . 19 1 1 A 80 80 ARG HA H 80 4.370 4.606 -0.236 1 1 1030 . 19 1 1 A 80 80 ARG C C 80 175.000 175.472 -0.472 1 1 1031 . 19 1 1 A 80 80 ARG CA C 80 54.200 54.870 -0.670 1 1 1032 . 19 1 1 A 80 80 ARG CB C 80 31.800 31.796 0.004 1 1 1035 . 19 1 1 A 80 80 ARG N N 80 119.700 120.102 -0.402 1 1 1037 . 19 1 1 A 81 81 PHE H H 81 8.410 9.058 -0.648 1 1 1038 . 19 1 1 A 81 81 PHE HA H 81 5.420 5.160 0.260 1 1 1046 . 19 1 1 A 81 81 PHE C C 81 174.400 175.291 -0.891 1 1 1047 . 19 1 1 A 81 81 PHE CA C 81 57.200 56.965 0.235 1 1 1048 . 19 1 1 A 81 81 PHE CB C 81 42.000 42.051 -0.051 1 1 1054 . 19 1 1 A 81 81 PHE N N 81 120.700 120.209 0.491 1 1 1055 . 19 1 1 A 82 82 GLN H H 82 8.950 8.951 -0.001 1 1 1056 . 19 1 1 A 82 82 GLN HA H 82 5.110 5.065 0.045 1 1 1063 . 19 1 1 A 82 82 GLN C C 82 172.400 173.634 -1.234 1 1 1064 . 19 1 1 A 82 82 GLN CA C 82 53.500 54.532 -1.032 1 1 1065 . 19 1 1 A 82 82 GLN CB C 82 31.900 32.697 -0.797 1 1 1067 . 19 1 1 A 82 82 GLN N N 82 115.000 118.618 -3.618 1 1 1069 . 19 1 1 A 83 83 VAL H H 83 9.090 8.322 0.768 1 1 1070 . 19 1 1 A 83 83 VAL HA H 83 4.380 4.881 -0.501 1 1 1078 . 19 1 1 A 83 83 VAL C C 83 174.600 174.897 -0.297 1 1 1079 . 19 1 1 A 83 83 VAL CA C 83 61.600 60.624 0.976 1 1 1080 . 19 1 1 A 83 83 VAL CB C 83 33.500 33.820 -0.320 1 1 1083 . 19 1 1 A 83 83 VAL N N 83 118.900 117.216 1.684 1 1 1084 . 19 1 1 A 84 84 GLN H H 84 9.280 8.560 0.720 1 1 1085 . 19 1 1 A 84 84 GLN HA H 84 5.020 4.849 0.171 1 1 1092 . 19 1 1 A 84 84 GLN C C 84 174.500 174.821 -0.321 1 1 1093 . 19 1 1 A 84 84 GLN CA C 84 54.400 55.397 -0.997 1 1 1094 . 19 1 1 A 84 84 GLN CB C 84 29.900 30.271 -0.371 1 1 1096 . 19 1 1 A 84 84 GLN N N 84 124.800 124.920 -0.120 1 1 1098 . 19 1 1 A 85 85 VAL H H 85 8.680 8.833 -0.153 1 1 1099 . 19 1 1 A 85 85 VAL HA H 85 4.300 4.825 -0.525 1 1 1107 . 19 1 1 A 85 85 VAL C C 85 174.500 175.673 -1.173 1 1 1108 . 19 1 1 A 85 85 VAL CA C 85 61.700 61.380 0.320 1 1 1109 . 19 1 1 A 85 85 VAL CB C 85 31.700 32.991 -1.291 1 1 1112 . 19 1 1 A 85 85 VAL N N 85 125.500 125.635 -0.135 1 1 1113 . 19 1 1 A 86 86 ASN H H 86 8.740 9.128 -0.388 1 1 1114 . 19 1 1 A 86 86 ASN HA H 86 5.240 5.273 -0.033 1 1 1119 . 19 1 1 A 86 86 ASN C C 86 175.300 175.484 -0.184 1 1 1120 . 19 1 1 A 86 86 ASN CA C 86 51.800 51.338 0.462 1 1 1121 . 19 1 1 A 86 86 ASN CB C 86 42.400 41.638 0.762 1 1 1122 . 19 1 1 A 86 86 ASN N N 86 124.000 125.781 -1.781 1 1 1124 . 19 1 1 A 87 87 LYS H H 87 8.530 8.849 -0.319 1 1 1125 . 19 1 1 A 87 87 LYS HA H 87 4.210 3.975 0.235 1 1 1134 . 19 1 1 A 87 87 LYS C C 87 176.700 178.577 -1.877 1 1 1135 . 19 1 1 A 87 87 LYS CA C 87 59.000 60.111 -1.111 1 1 1136 . 19 1 1 A 87 87 LYS CB C 87 32.400 32.276 0.124 1 1 1140 . 19 1 1 A 87 87 LYS N N 87 117.600 121.181 -3.581 1 1 1141 . 19 1 1 A 88 88 ASN H H 88 8.600 8.060 0.540 1 1 1142 . 19 1 1 A 88 88 ASN HA H 88 4.810 4.518 0.292 1 1 1147 . 19 1 1 A 88 88 ASN C C 88 175.600 175.791 -0.191 1 1 1148 . 19 1 1 A 88 88 ASN CA C 88 54.100 55.930 -1.830 1 1 1149 . 19 1 1 A 88 88 ASN CB C 88 39.100 38.054 1.046 1 1 1150 . 19 1 1 A 88 88 ASN N N 88 115.500 117.954 -2.454 1 1 1152 . 19 1 1 A 89 89 SER H H 89 8.150 7.718 0.432 1 1 1153 . 19 1 1 A 89 89 SER HA H 89 5.120 4.905 0.215 1 1 1156 . 19 1 1 A 89 89 SER C C 89 172.400 173.780 -1.380 1 1 1157 . 19 1 1 A 89 89 SER CA C 89 58.100 58.053 0.047 1 1 1158 . 19 1 1 A 89 89 SER CB C 89 64.000 65.309 -1.309 1 1 1159 . 19 1 1 A 89 89 SER N N 89 117.500 113.283 4.217 1 1 1160 . 19 1 1 A 90 90 SER H H 90 8.200 8.574 -0.374 1 1 1161 . 19 1 1 A 90 90 SER HA H 90 4.680 5.123 -0.443 1 1 1164 . 19 1 1 A 90 90 SER C C 90 172.400 172.350 0.050 1 1 1165 . 19 1 1 A 90 90 SER CA C 90 57.700 56.695 1.005 1 1 1166 . 19 1 1 A 90 90 SER CB C 90 65.700 65.839 -0.139 1 1 1167 . 19 1 1 A 90 90 SER N N 90 113.200 116.751 -3.551 1 1 1168 . 19 1 1 A 91 91 ILE H H 91 8.640 8.635 0.005 1 1 1169 . 19 1 1 A 91 91 ILE HA H 91 5.030 5.146 -0.116 1 1 1179 . 19 1 1 A 91 91 ILE C C 91 175.300 174.599 0.701 1 1 1180 . 19 1 1 A 91 91 ILE CA C 91 60.200 60.327 -0.127 1 1 1181 . 19 1 1 A 91 91 ILE CB C 91 42.200 41.687 0.513 1 1 1185 . 19 1 1 A 91 91 ILE N N 91 119.700 122.707 -3.007 1 1 1186 . 19 1 1 A 92 92 GLU H H 92 8.810 9.176 -0.366 1 1 1187 . 19 1 1 A 92 92 GLU HA H 92 4.710 5.038 -0.328 1 1 1192 . 19 1 1 A 92 92 GLU C C 92 174.700 174.962 -0.262 1 1 1193 . 19 1 1 A 92 92 GLU CA C 92 54.600 54.423 0.177 1 1 1194 . 19 1 1 A 92 92 GLU CB C 92 33.300 33.481 -0.181 1 1 1196 . 19 1 1 A 92 92 GLU N N 92 125.900 126.022 -0.122 1 1 1197 . 19 1 1 A 93 93 LYS H H 93 9.080 8.489 0.591 1 1 1198 . 19 1 1 A 93 93 LYS HA H 93 4.100 4.379 -0.279 1 1 1207 . 19 1 1 A 93 93 LYS C C 93 176.400 175.962 0.438 1 1 1208 . 19 1 1 A 93 93 LYS CA C 93 57.500 56.261 1.239 1 1 1209 . 19 1 1 A 93 93 LYS CB C 93 32.900 33.358 -0.458 1 1 1213 . 19 1 1 A 93 93 LYS N N 93 127.600 124.837 2.763 1 1 1214 . 19 1 1 A 94 94 LEU H H 94 8.410 8.402 0.008 1 1 1215 . 19 1 1 A 94 94 LEU HA H 94 4.480 4.792 -0.312 1 1 1224 . 19 1 1 A 94 94 LEU C C 94 177.300 176.816 0.484 1 1 1225 . 19 1 1 A 94 94 LEU CA C 94 53.900 53.513 0.387 1 1 1226 . 19 1 1 A 94 94 LEU CB C 94 42.900 43.672 -0.772 1 1 1230 . 19 1 1 A 94 94 LEU N N 94 127.300 126.583 0.717 1 1 1231 . 19 1 1 A 95 95 SER H H 95 8.630 8.772 -0.142 1 1 1232 . 19 1 1 A 95 95 SER HA H 95 4.350 4.588 -0.238 1 1 1235 . 19 1 1 A 95 95 SER C C 95 173.800 173.723 0.077 1 1 1236 . 19 1 1 A 95 95 SER CA C 95 58.900 58.720 0.180 1 1 1237 . 19 1 1 A 95 95 SER CB C 95 63.400 63.797 -0.397 1 1 1238 . 19 1 1 A 95 95 SER N N 95 115.700 116.356 -0.656 1 1 1239 . 19 1 1 A 96 96 GLU H H 96 7.230 7.585 -0.355 1 1 1240 . 19 1 1 A 96 96 GLU HA H 96 4.750 4.814 -0.064 1 1 1245 . 19 1 1 A 96 96 GLU CA C 96 53.000 53.008 -0.008 1 1 1246 . 19 1 1 A 96 96 GLU CB C 96 30.700 32.522 -1.822 1 1 1248 . 19 1 1 A 96 96 GLU N N 96 121.600 121.449 0.151 1 1 1249 . 19 1 1 A 97 97 PRO HA H 97 4.250 4.688 -0.438 1 1 1256 . 19 1 1 A 97 97 PRO CA C 97 62.400 62.458 -0.058 1 1 1257 . 19 1 1 A 97 97 PRO CB C 97 32.600 32.546 0.054 1 1 1260 . 19 1 1 A 98 98 ILE H H 98 7.920 8.432 -0.512 1 1 1261 . 19 1 1 A 98 98 ILE HA H 98 4.070 4.784 -0.714 1 1 1271 . 19 1 1 A 98 98 ILE C C 98 175.400 174.531 0.869 1 1 1272 . 19 1 1 A 98 98 ILE CA C 98 59.300 59.585 -0.285 1 1 1273 . 19 1 1 A 98 98 ILE CB C 98 38.300 40.277 -1.977 1 1 1277 . 19 1 1 A 98 98 ILE N N 98 122.700 121.123 1.577 1 1 1278 . 19 1 1 A 99 99 GLU H H 99 8.550 8.817 -0.267 1 1 1279 . 19 1 1 A 99 99 GLU HA H 99 4.260 4.518 -0.258 1 1 1284 . 19 1 1 A 99 99 GLU C C 99 175.100 176.106 -1.006 1 1 1285 . 19 1 1 A 99 99 GLU CA C 99 55.500 55.778 -0.278 1 1 1286 . 19 1 1 A 99 99 GLU CB C 99 30.000 30.278 -0.278 1 1 1288 . 19 1 1 A 99 99 GLU N N 99 127.900 127.285 0.615 1 1 1289 . 19 1 1 A 100 100 VAL H H 100 7.970 8.798 -0.828 1 1 1290 . 19 1 1 A 100 100 VAL HA H 100 3.980 4.367 -0.387 1 1 1298 . 19 1 1 A 100 100 VAL C C 100 176.700 176.381 0.319 1 1 1299 . 19 1 1 A 100 100 VAL CA C 100 61.000 62.630 -1.630 1 1 1300 . 19 1 1 A 100 100 VAL CB C 100 33.000 35.379 -2.379 1 1 1303 . 19 1 1 A 100 100 VAL N N 100 121.100 128.330 -7.230 1 1 1304 . 19 1 1 A 101 101 GLY H H 101 8.520 7.919 0.601 1 1 1305 . 19 1 1 A 101 101 GLY HA2 H 101 3.830 3.798 0.032 1 1 1306 . 19 1 1 A 101 101 GLY HA3 H 101 3.980 3.805 0.175 1 1 1307 . 19 1 1 A 101 101 GLY C C 101 174.200 175.052 -0.852 1 1 1308 . 19 1 1 A 101 101 GLY CA C 101 45.800 46.506 -0.706 1 1 1309 . 19 1 1 A 101 101 GLY N N 101 114.000 108.181 5.819 1 1 1310 . 19 1 1 A 102 102 LEU H H 102 8.100 8.968 -0.868 1 1 1311 . 19 1 1 A 102 102 LEU HA H 102 4.170 3.850 0.320 1 1 1320 . 19 1 1 A 102 102 LEU C C 102 177.700 175.592 2.108 1 1 1321 . 19 1 1 A 102 102 LEU CA C 102 55.500 55.907 -0.407 1 1 1322 . 19 1 1 A 102 102 LEU CB C 102 42.600 40.709 1.891 1 1 1326 . 19 1 1 A 102 102 LEU N N 102 121.000 121.919 -0.919 1 1 1327 . 19 1 1 A 103 103 GLU H H 103 8.420 8.116 0.304 1 1 1328 . 19 1 1 A 103 103 GLU HA H 103 4.090 4.547 -0.457 1 1 1333 . 19 1 1 A 103 103 GLU C C 103 176.400 175.831 0.569 1 1 1334 . 19 1 1 A 103 103 GLU CA C 103 57.100 57.042 0.058 1 1 1335 . 19 1 1 A 103 103 GLU CB C 103 29.900 30.704 -0.804 1 1 1337 . 19 1 1 A 103 103 GLU N N 103 120.000 118.721 1.279 1 1 1338 . 19 1 1 A 104 104 HIS H H 104 8.180 8.162 0.018 1 1 1339 . 19 1 1 A 104 104 HIS HA H 104 4.580 4.651 -0.071 1 1 1342 . 19 1 1 A 104 104 HIS C C 104 173.800 173.512 0.288 1 1 1343 . 19 1 1 A 104 104 HIS CA C 104 55.700 55.419 0.281 1 1 1344 . 19 1 1 A 104 104 HIS CB C 104 30.000 32.002 -2.002 1 1 1345 . 19 1 1 A 104 104 HIS N N 104 119.000 124.345 -5.345 1 1 1346 . 19 1 1 A 105 105 HIS H H 105 8.160 7.304 0.856 1 1 1347 . 19 1 1 A 105 105 HIS HA H 105 4.380 4.318 0.062 1 1 1350 . 19 1 1 A 105 105 HIS CA C 105 57.200 55.887 1.313 1 1 1351 . 19 1 1 A 105 105 HIS CB C 105 30.000 30.330 -0.330 1 1 1 . 20 1 1 A 3 3 PRO HA H 3 4.430 4.637 -0.207 1 1 8 . 20 1 1 A 3 3 PRO C C 3 175.600 176.222 -0.622 1 1 9 . 20 1 1 A 3 3 PRO CA C 3 62.510 62.465 0.045 1 1 10 . 20 1 1 A 3 3 PRO CB C 3 32.000 32.354 -0.354 1 1 13 . 20 1 1 A 4 4 GLN H H 4 8.580 8.518 0.062 1 1 14 . 20 1 1 A 4 4 GLN HA H 4 4.260 4.558 -0.298 1 1 21 . 20 1 1 A 4 4 GLN C C 4 176.900 175.157 1.743 1 1 22 . 20 1 1 A 4 4 GLN CA C 4 55.700 56.149 -0.449 1 1 23 . 20 1 1 A 4 4 GLN CB C 4 29.200 29.275 -0.075 1 1 25 . 20 1 1 A 4 4 GLN N N 4 120.000 121.085 -1.085 1 1 27 . 20 1 1 A 5 5 LEU H H 5 8.920 9.062 -0.142 1 1 28 . 20 1 1 A 5 5 LEU HA H 5 4.660 5.355 -0.695 1 1 38 . 20 1 1 A 5 5 LEU C C 5 176.900 176.065 0.835 1 1 39 . 20 1 1 A 5 5 LEU CA C 5 54.700 53.890 0.810 1 1 40 . 20 1 1 A 5 5 LEU CB C 5 43.000 43.566 -0.566 1 1 44 . 20 1 1 A 5 5 LEU N N 5 128.500 126.764 1.736 1 1 45 . 20 1 1 A 6 6 THR H H 6 8.750 8.945 -0.195 1 1 46 . 20 1 1 A 6 6 THR HA H 6 4.530 5.027 -0.497 1 1 51 . 20 1 1 A 6 6 THR C C 6 173.700 173.432 0.268 1 1 52 . 20 1 1 A 6 6 THR CA C 6 61.600 60.987 0.613 1 1 53 . 20 1 1 A 6 6 THR CB C 6 72.000 72.478 -0.478 1 1 55 . 20 1 1 A 6 6 THR N N 6 121.000 121.122 -0.122 1 1 56 . 20 1 1 A 7 7 LYS H H 7 9.080 8.751 0.329 1 1 57 . 20 1 1 A 7 7 LYS HA H 7 4.430 4.516 -0.086 1 1 66 . 20 1 1 A 7 7 LYS C C 7 178.600 178.166 0.434 1 1 67 . 20 1 1 A 7 7 LYS CA C 7 54.300 54.411 -0.111 1 1 68 . 20 1 1 A 7 7 LYS CB C 7 32.300 34.228 -1.928 1 1 72 . 20 1 1 A 7 7 LYS N N 7 126.300 124.094 2.206 1 1 73 . 20 1 1 A 8 8 ILE H H 8 9.870 8.844 1.026 1 1 74 . 20 1 1 A 8 8 ILE HA H 8 3.240 3.775 -0.535 1 1 82 . 20 1 1 A 8 8 ILE C C 8 178.700 177.924 0.776 1 1 83 . 20 1 1 A 8 8 ILE CA C 8 66.800 65.374 1.426 1 1 84 . 20 1 1 A 8 8 ILE CB C 8 36.400 37.449 -1.049 1 1 87 . 20 1 1 A 8 8 ILE N N 8 124.700 122.384 2.316 1 1 88 . 20 1 1 A 9 9 VAL H H 9 8.340 8.066 0.274 1 1 89 . 20 1 1 A 9 9 VAL HA H 9 3.930 3.899 0.031 1 1 97 . 20 1 1 A 9 9 VAL C C 9 178.700 176.584 2.116 1 1 98 . 20 1 1 A 9 9 VAL CA C 9 63.300 64.185 -0.885 1 1 99 . 20 1 1 A 9 9 VAL CB C 9 31.700 31.476 0.224 1 1 102 . 20 1 1 A 9 9 VAL N N 9 119.500 120.305 -0.805 1 1 103 . 20 1 1 A 10 10 ASP H H 10 7.510 8.233 -0.723 1 1 104 . 20 1 1 A 10 10 ASP HA H 10 4.730 4.689 0.041 1 1 107 . 20 1 1 A 10 10 ASP C C 10 174.500 176.163 -1.663 1 1 108 . 20 1 1 A 10 10 ASP CA C 10 54.400 53.116 1.284 1 1 109 . 20 1 1 A 10 10 ASP CB C 10 41.100 40.929 0.171 1 1 110 . 20 1 1 A 10 10 ASP N N 10 119.100 120.153 -1.053 1 1 111 . 20 1 1 A 11 11 ILE H H 11 7.460 7.726 -0.266 1 1 112 . 20 1 1 A 11 11 ILE HA H 11 3.800 4.136 -0.336 1 1 122 . 20 1 1 A 11 11 ILE C C 11 174.900 176.457 -1.557 1 1 123 . 20 1 1 A 11 11 ILE CA C 11 62.100 60.642 1.458 1 1 124 . 20 1 1 A 11 11 ILE CB C 11 35.300 37.954 -2.654 1 1 128 . 20 1 1 A 11 11 ILE N N 11 124.200 121.598 2.602 1 1 129 . 20 1 1 A 12 12 VAL H H 12 8.530 8.596 -0.066 1 1 130 . 20 1 1 A 12 12 VAL HA H 12 4.260 4.090 0.170 1 1 138 . 20 1 1 A 12 12 VAL C C 12 174.900 174.914 -0.014 1 1 139 . 20 1 1 A 12 12 VAL CA C 12 60.600 61.054 -0.454 1 1 140 . 20 1 1 A 12 12 VAL CB C 12 35.400 33.960 1.440 1 1 143 . 20 1 1 A 12 12 VAL N N 12 118.400 119.079 -0.679 1 1 144 . 20 1 1 A 13 13 GLU H H 13 7.430 7.346 0.084 1 1 145 . 20 1 1 A 13 13 GLU HA H 13 4.590 4.948 -0.358 1 1 150 . 20 1 1 A 13 13 GLU C C 13 173.800 174.786 -0.986 1 1 151 . 20 1 1 A 13 13 GLU CA C 13 54.800 54.488 0.312 1 1 152 . 20 1 1 A 13 13 GLU CB C 13 33.160 33.137 0.023 1 1 154 . 20 1 1 A 13 13 GLU N N 13 120.100 122.950 -2.850 1 1 155 . 20 1 1 A 14 14 ASN H H 14 8.800 8.806 -0.006 1 1 156 . 20 1 1 A 14 14 ASN HA H 14 4.110 4.898 -0.788 1 1 161 . 20 1 1 A 14 14 ASN C C 14 176.600 175.818 0.782 1 1 162 . 20 1 1 A 14 14 ASN CA C 14 54.600 53.312 1.288 1 1 163 . 20 1 1 A 14 14 ASN CB C 14 38.900 39.294 -0.394 1 1 164 . 20 1 1 A 14 14 ASN N N 14 121.500 123.822 -2.322 1 1 166 . 20 1 1 A 15 15 GLY H H 15 8.620 9.046 -0.426 1 1 167 . 20 1 1 A 15 15 GLY HA2 H 15 3.460 3.695 -0.235 1 1 168 . 20 1 1 A 15 15 GLY HA3 H 15 4.110 3.798 0.312 1 1 169 . 20 1 1 A 15 15 GLY C C 15 173.100 173.363 -0.263 1 1 170 . 20 1 1 A 15 15 GLY CA C 15 45.300 45.590 -0.290 1 1 171 . 20 1 1 A 15 15 GLY N N 15 114.900 110.868 4.032 1 1 172 . 20 1 1 A 16 16 GLN H H 16 7.280 7.724 -0.444 1 1 173 . 20 1 1 A 16 16 GLN HA H 16 4.160 4.537 -0.377 1 1 180 . 20 1 1 A 16 16 GLN C C 16 174.400 174.944 -0.544 1 1 181 . 20 1 1 A 16 16 GLN CA C 16 56.300 54.612 1.688 1 1 182 . 20 1 1 A 16 16 GLN CB C 16 30.300 30.316 -0.016 1 1 184 . 20 1 1 A 16 16 GLN N N 16 121.500 120.487 1.013 1 1 186 . 20 1 1 A 17 17 TRP H H 17 8.640 8.940 -0.300 1 1 187 . 20 1 1 A 17 17 TRP HA H 17 5.400 5.504 -0.104 1 1 196 . 20 1 1 A 17 17 TRP C C 17 176.900 176.182 0.718 1 1 197 . 20 1 1 A 17 17 TRP CA C 17 56.400 56.336 0.064 1 1 198 . 20 1 1 A 17 17 TRP CB C 17 30.300 30.989 -0.689 1 1 204 . 20 1 1 A 17 17 TRP N N 17 125.500 126.434 -0.934 1 1 206 . 20 1 1 A 18 18 ALA H H 18 9.020 8.692 0.328 1 1 207 . 20 1 1 A 18 18 ALA HA H 18 4.650 4.874 -0.224 1 1 211 . 20 1 1 A 18 18 ALA C C 18 174.100 175.278 -1.178 1 1 212 . 20 1 1 A 18 18 ALA CA C 18 51.430 51.352 0.078 1 1 213 . 20 1 1 A 18 18 ALA CB C 18 22.600 23.633 -1.033 1 1 214 . 20 1 1 A 18 18 ALA N N 18 124.000 123.051 0.949 1 1 215 . 20 1 1 A 19 19 ASN H H 19 8.250 8.385 -0.135 1 1 216 . 20 1 1 A 19 19 ASN HA H 19 5.710 5.631 0.079 1 1 221 . 20 1 1 A 19 19 ASN C C 19 173.500 173.912 -0.412 1 1 222 . 20 1 1 A 19 19 ASN CA C 19 51.600 52.189 -0.589 1 1 223 . 20 1 1 A 19 19 ASN CB C 19 40.100 42.944 -2.844 1 1 224 . 20 1 1 A 19 19 ASN N N 19 116.500 116.096 0.404 1 1 226 . 20 1 1 A 20 20 LEU H H 20 9.280 8.388 0.892 1 1 227 . 20 1 1 A 20 20 LEU HA H 20 4.930 4.985 -0.055 1 1 236 . 20 1 1 A 20 20 LEU C C 20 174.800 174.530 0.270 1 1 237 . 20 1 1 A 20 20 LEU CA C 20 54.200 53.952 0.248 1 1 238 . 20 1 1 A 20 20 LEU CB C 20 46.300 45.237 1.063 1 1 241 . 20 1 1 A 20 20 LEU N N 20 121.800 118.710 3.090 1 1 242 . 20 1 1 A 21 21 LYS H H 21 8.550 8.727 -0.177 1 1 243 . 20 1 1 A 21 21 LYS HA H 21 5.450 5.125 0.325 1 1 252 . 20 1 1 A 21 21 LYS C C 21 174.800 175.384 -0.584 1 1 253 . 20 1 1 A 21 21 LYS CA C 21 55.350 55.035 0.315 1 1 254 . 20 1 1 A 21 21 LYS CB C 21 34.300 34.059 0.241 1 1 258 . 20 1 1 A 21 21 LYS N N 21 122.500 121.269 1.231 1 1 259 . 20 1 1 A 22 22 ALA H H 22 9.090 8.460 0.630 1 1 260 . 20 1 1 A 22 22 ALA HA H 22 4.830 4.887 -0.057 1 1 264 . 20 1 1 A 22 22 ALA C C 22 173.800 175.027 -1.227 1 1 265 . 20 1 1 A 22 22 ALA CA C 22 51.300 50.880 0.420 1 1 266 . 20 1 1 A 22 22 ALA CB C 22 24.700 23.791 0.909 1 1 267 . 20 1 1 A 22 22 ALA N N 22 123.200 127.576 -4.376 1 1 268 . 20 1 1 A 23 23 LYS H H 23 9.190 8.269 0.921 1 1 269 . 20 1 1 A 23 23 LYS HA H 23 5.080 5.048 0.032 1 1 276 . 20 1 1 A 23 23 LYS C C 23 176.900 175.552 1.348 1 1 277 . 20 1 1 A 23 23 LYS CA C 23 54.100 54.826 -0.726 1 1 278 . 20 1 1 A 23 23 LYS CB C 23 35.800 34.341 1.459 1 1 281 . 20 1 1 A 23 23 LYS N N 23 121.100 121.480 -0.380 1 1 282 . 20 1 1 A 24 24 VAL H H 24 8.620 8.681 -0.061 1 1 283 . 20 1 1 A 24 24 VAL HA H 24 4.110 4.261 -0.151 1 1 291 . 20 1 1 A 24 24 VAL C C 24 175.800 176.421 -0.621 1 1 292 . 20 1 1 A 24 24 VAL CA C 24 62.750 62.507 0.243 1 1 293 . 20 1 1 A 24 24 VAL CB C 24 30.500 31.553 -1.053 1 1 296 . 20 1 1 A 24 24 VAL N N 24 125.600 125.927 -0.327 1 1 297 . 20 1 1 A 25 25 ILE H H 25 8.430 8.524 -0.094 1 1 298 . 20 1 1 A 25 25 ILE HA H 25 4.210 4.387 -0.177 1 1 308 . 20 1 1 A 25 25 ILE C C 25 176.700 175.917 0.783 1 1 309 . 20 1 1 A 25 25 ILE CA C 25 62.100 61.674 0.426 1 1 310 . 20 1 1 A 25 25 ILE CB C 25 38.300 38.775 -0.475 1 1 314 . 20 1 1 A 25 25 ILE N N 25 127.400 123.932 3.468 1 1 315 . 20 1 1 A 26 26 GLN H H 26 7.590 7.628 -0.038 1 1 316 . 20 1 1 A 26 26 GLN HA H 26 4.560 4.714 -0.154 1 1 323 . 20 1 1 A 26 26 GLN C C 26 173.700 173.738 -0.038 1 1 324 . 20 1 1 A 26 26 GLN CA C 26 55.400 55.564 -0.164 1 1 325 . 20 1 1 A 26 26 GLN CB C 26 34.100 32.292 1.808 1 1 327 . 20 1 1 A 26 26 GLN N N 26 117.100 120.644 -3.544 1 1 329 . 20 1 1 A 27 27 LEU H H 27 8.470 8.782 -0.312 1 1 330 . 20 1 1 A 27 27 LEU HA H 27 4.710 5.085 -0.375 1 1 340 . 20 1 1 A 27 27 LEU C C 27 176.200 175.464 0.736 1 1 341 . 20 1 1 A 27 27 LEU CA C 27 54.100 53.705 0.395 1 1 342 . 20 1 1 A 27 27 LEU CB C 27 44.000 46.296 -2.296 1 1 346 . 20 1 1 A 27 27 LEU N N 27 123.600 124.335 -0.735 1 1 347 . 20 1 1 A 28 28 TRP H H 28 8.850 9.307 -0.457 1 1 348 . 20 1 1 A 28 28 TRP HA H 28 5.180 5.177 0.003 1 1 357 . 20 1 1 A 28 28 TRP C C 28 175.900 175.461 0.439 1 1 358 . 20 1 1 A 28 28 TRP CA C 28 53.300 55.731 -2.431 1 1 359 . 20 1 1 A 28 28 TRP CB C 28 31.400 32.595 -1.195 1 1 365 . 20 1 1 A 28 28 TRP N N 28 123.900 121.650 2.250 1 1 367 . 20 1 1 A 29 29 GLU H H 29 8.620 8.938 -0.318 1 1 368 . 20 1 1 A 29 29 GLU HA H 29 4.250 4.717 -0.467 1 1 373 . 20 1 1 A 29 29 GLU C C 29 175.700 175.571 0.129 1 1 374 . 20 1 1 A 29 29 GLU CA C 29 56.800 56.744 0.056 1 1 375 . 20 1 1 A 29 29 GLU CB C 29 30.000 30.553 -0.553 1 1 377 . 20 1 1 A 29 29 GLU N N 29 120.700 124.241 -3.541 1 1 378 . 20 1 1 A 30 30 ASN H H 30 8.720 8.317 0.403 1 1 379 . 20 1 1 A 30 30 ASN HA H 30 4.870 5.347 -0.477 1 1 384 . 20 1 1 A 30 30 ASN C C 30 174.800 176.242 -1.442 1 1 385 . 20 1 1 A 30 30 ASN CA C 30 53.800 52.274 1.526 1 1 386 . 20 1 1 A 30 30 ASN CB C 30 41.200 41.550 -0.350 1 1 387 . 20 1 1 A 30 30 ASN N N 30 121.400 124.061 -2.661 1 1 389 . 20 1 1 A 31 31 THR H H 31 8.300 8.472 -0.172 1 1 390 . 20 1 1 A 31 31 THR HA H 31 4.430 4.753 -0.323 1 1 395 . 20 1 1 A 31 31 THR C C 31 174.200 175.274 -1.074 1 1 396 . 20 1 1 A 31 31 THR CA C 31 61.000 61.095 -0.095 1 1 397 . 20 1 1 A 31 31 THR CB C 31 69.600 69.395 0.205 1 1 399 . 20 1 1 A 31 31 THR N N 31 114.200 115.282 -1.082 1 1 400 . 20 1 1 A 32 32 HIS H H 32 7.840 7.976 -0.136 1 1 401 . 20 1 1 A 32 32 HIS HA H 32 4.560 4.472 0.088 1 1 405 . 20 1 1 A 32 32 HIS C C 32 177.300 174.805 2.495 1 1 406 . 20 1 1 A 32 32 HIS CA C 32 57.600 58.019 -0.419 1 1 407 . 20 1 1 A 32 32 HIS CB C 32 32.000 30.101 1.899 1 1 409 . 20 1 1 A 32 32 HIS N N 32 122.500 121.782 0.718 1 1 410 . 20 1 1 A 33 33 GLU H H 33 9.020 7.940 1.080 1 1 411 . 20 1 1 A 33 33 GLU HA H 33 4.120 4.003 0.117 1 1 416 . 20 1 1 A 33 33 GLU C C 33 177.100 175.653 1.447 1 1 417 . 20 1 1 A 33 33 GLU CA C 33 59.000 57.726 1.274 1 1 418 . 20 1 1 A 33 33 GLU CB C 33 29.400 27.197 2.203 1 1 420 . 20 1 1 A 33 33 GLU N N 33 127.300 116.177 11.123 1 1 421 . 20 1 1 A 34 34 SER H H 34 9.430 8.032 1.398 1 1 422 . 20 1 1 A 34 34 SER HA H 34 4.580 4.927 -0.347 1 1 425 . 20 1 1 A 34 34 SER C C 34 174.800 173.458 1.342 1 1 426 . 20 1 1 A 34 34 SER CA C 34 59.500 59.232 0.268 1 1 427 . 20 1 1 A 34 34 SER CB C 34 63.600 66.403 -2.803 1 1 428 . 20 1 1 A 34 34 SER N N 34 113.400 113.555 -0.155 1 1 429 . 20 1 1 A 35 35 ILE H H 35 7.920 7.922 -0.002 1 1 430 . 20 1 1 A 35 35 ILE HA H 35 4.080 4.318 -0.238 1 1 440 . 20 1 1 A 35 35 ILE C C 35 174.300 175.667 -1.367 1 1 441 . 20 1 1 A 35 35 ILE CA C 35 61.600 60.044 1.556 1 1 442 . 20 1 1 A 35 35 ILE CB C 35 40.700 39.399 1.301 1 1 446 . 20 1 1 A 35 35 ILE N N 35 125.800 120.174 5.626 1 1 447 . 20 1 1 A 36 36 SER H H 36 9.010 8.860 0.150 1 1 448 . 20 1 1 A 36 36 SER HA H 36 4.480 4.453 0.027 1 1 451 . 20 1 1 A 36 36 SER C C 36 174.900 173.539 1.361 1 1 452 . 20 1 1 A 36 36 SER CA C 36 58.800 60.274 -1.474 1 1 453 . 20 1 1 A 36 36 SER CB C 36 64.300 63.070 1.230 1 1 454 . 20 1 1 A 36 36 SER N N 36 119.100 122.491 -3.391 1 1 455 . 20 1 1 A 37 37 GLN H H 37 7.390 7.353 0.037 1 1 456 . 20 1 1 A 37 37 GLN HA H 37 4.690 4.657 0.033 1 1 463 . 20 1 1 A 37 37 GLN C C 37 171.800 173.353 -1.553 1 1 464 . 20 1 1 A 37 37 GLN CA C 37 54.900 55.032 -0.132 1 1 465 . 20 1 1 A 37 37 GLN CB C 37 36.200 32.207 3.993 1 1 466 . 20 1 1 A 37 37 GLN N N 37 116.500 118.754 -2.254 1 1 468 . 20 1 1 A 38 38 VAL H H 38 8.640 8.867 -0.227 1 1 469 . 20 1 1 A 38 38 VAL HA H 38 4.160 4.408 -0.248 1 1 477 . 20 1 1 A 38 38 VAL C C 38 172.400 174.774 -2.374 1 1 478 . 20 1 1 A 38 38 VAL CA C 38 58.500 59.898 -1.398 1 1 479 . 20 1 1 A 38 38 VAL CB C 38 35.300 36.122 -0.822 1 1 482 . 20 1 1 A 38 38 VAL N N 38 120.400 123.336 -2.936 1 1 483 . 20 1 1 A 39 39 GLY H H 39 6.440 7.428 -0.988 1 1 484 . 20 1 1 A 39 39 GLY HA2 H 39 3.690 4.277 -0.587 1 1 485 . 20 1 1 A 39 39 GLY HA3 H 39 1.940 4.305 -2.365 1 1 486 . 20 1 1 A 39 39 GLY C C 39 170.600 171.596 -0.996 1 1 487 . 20 1 1 A 39 39 GLY CA C 39 45.300 46.253 -0.953 1 1 488 . 20 1 1 A 39 39 GLY N N 39 109.600 110.297 -0.697 1 1 489 . 20 1 1 A 40 40 LEU H H 40 8.380 8.318 0.062 1 1 490 . 20 1 1 A 40 40 LEU HA H 40 4.980 5.292 -0.312 1 1 499 . 20 1 1 A 40 40 LEU C C 40 176.000 175.824 0.176 1 1 500 . 20 1 1 A 40 40 LEU CA C 40 53.200 53.347 -0.147 1 1 501 . 20 1 1 A 40 40 LEU CB C 40 47.400 45.467 1.933 1 1 504 . 20 1 1 A 40 40 LEU N N 40 119.500 122.111 -2.611 1 1 505 . 20 1 1 A 41 41 LEU H H 41 9.410 9.063 0.347 1 1 506 . 20 1 1 A 41 41 LEU HA H 41 5.320 5.237 0.083 1 1 516 . 20 1 1 A 41 41 LEU C C 41 176.700 175.616 1.084 1 1 517 . 20 1 1 A 41 41 LEU CA C 41 52.400 52.916 -0.516 1 1 518 . 20 1 1 A 41 41 LEU CB C 41 44.900 43.782 1.118 1 1 522 . 20 1 1 A 41 41 LEU N N 41 122.700 122.406 0.294 1 1 523 . 20 1 1 A 42 42 GLY H H 42 9.210 9.822 -0.612 1 1 524 . 20 1 1 A 42 42 GLY HA2 H 42 3.550 4.080 -0.530 1 1 525 . 20 1 1 A 42 42 GLY HA3 H 42 5.350 4.082 1.268 1 1 526 . 20 1 1 A 42 42 GLY C C 42 171.200 171.874 -0.674 1 1 527 . 20 1 1 A 42 42 GLY CA C 42 45.700 45.452 0.248 1 1 528 . 20 1 1 A 42 42 GLY N N 42 104.600 112.512 -7.912 1 1 529 . 20 1 1 A 43 43 ASP H H 43 8.960 8.697 0.263 1 1 530 . 20 1 1 A 43 43 ASP HA H 43 4.640 5.075 -0.435 1 1 533 . 20 1 1 A 43 43 ASP C C 43 175.600 176.481 -0.881 1 1 534 . 20 1 1 A 43 43 ASP CA C 43 52.700 52.213 0.487 1 1 535 . 20 1 1 A 43 43 ASP CB C 43 41.600 43.506 -1.906 1 1 536 . 20 1 1 A 43 43 ASP N N 43 121.900 126.095 -4.195 1 1 537 . 20 1 1 A 44 44 GLU H H 44 10.150 9.033 1.117 1 1 538 . 20 1 1 A 44 44 GLU HA H 44 4.380 4.030 0.350 1 1 543 . 20 1 1 A 44 44 GLU C C 44 176.900 177.730 -0.830 1 1 544 . 20 1 1 A 44 44 GLU CA C 44 59.300 58.685 0.615 1 1 545 . 20 1 1 A 44 44 GLU CB C 44 28.100 29.646 -1.546 1 1 547 . 20 1 1 A 44 44 GLU N N 44 118.000 125.303 -7.303 1 1 548 . 20 1 1 A 45 45 THR H H 45 9.600 7.712 1.888 1 1 549 . 20 1 1 A 45 45 THR HA H 45 4.580 4.479 0.101 1 1 554 . 20 1 1 A 45 45 THR C C 45 174.800 173.841 0.959 1 1 555 . 20 1 1 A 45 45 THR CA C 45 61.700 62.386 -0.686 1 1 556 . 20 1 1 A 45 45 THR CB C 45 70.000 69.488 0.512 1 1 558 . 20 1 1 A 45 45 THR N N 45 112.000 109.419 2.581 1 1 559 . 20 1 1 A 46 46 GLY H H 46 7.640 7.262 0.378 1 1 560 . 20 1 1 A 46 46 GLY HA2 H 46 3.830 4.123 -0.293 1 1 561 . 20 1 1 A 46 46 GLY HA3 H 46 4.000 4.123 -0.123 1 1 562 . 20 1 1 A 46 46 GLY C C 46 169.400 171.936 -2.536 1 1 563 . 20 1 1 A 46 46 GLY CA C 46 46.000 45.184 0.816 1 1 564 . 20 1 1 A 46 46 GLY N N 46 110.600 107.938 2.662 1 1 565 . 20 1 1 A 47 47 ILE H H 47 8.000 8.241 -0.241 1 1 566 . 20 1 1 A 47 47 ILE HA H 47 5.450 5.260 0.190 1 1 576 . 20 1 1 A 47 47 ILE C C 47 175.200 174.033 1.167 1 1 577 . 20 1 1 A 47 47 ILE CA C 47 59.100 59.360 -0.260 1 1 578 . 20 1 1 A 47 47 ILE CB C 47 42.400 42.022 0.378 1 1 582 . 20 1 1 A 47 47 ILE N N 47 113.900 121.521 -7.621 1 1 583 . 20 1 1 A 48 48 ILE H H 48 9.340 8.480 0.860 1 1 584 . 20 1 1 A 48 48 ILE HA H 48 4.640 5.027 -0.387 1 1 594 . 20 1 1 A 48 48 ILE C C 48 171.500 172.972 -1.472 1 1 595 . 20 1 1 A 48 48 ILE CA C 48 60.600 59.053 1.547 1 1 596 . 20 1 1 A 48 48 ILE CB C 48 42.000 42.323 -0.323 1 1 600 . 20 1 1 A 48 48 ILE N N 48 123.600 125.018 -1.418 1 1 601 . 20 1 1 A 49 49 LYS H H 49 8.350 8.883 -0.533 1 1 602 . 20 1 1 A 49 49 LYS HA H 49 4.820 4.819 0.001 1 1 611 . 20 1 1 A 49 49 LYS C C 49 174.700 175.905 -1.205 1 1 612 . 20 1 1 A 49 49 LYS CA C 49 56.400 55.781 0.619 1 1 613 . 20 1 1 A 49 49 LYS CB C 49 33.800 33.549 0.251 1 1 617 . 20 1 1 A 49 49 LYS N N 49 129.100 130.359 -1.259 1 1 618 . 20 1 1 A 50 50 PHE H H 50 8.570 8.405 0.165 1 1 619 . 20 1 1 A 50 50 PHE HA H 50 5.820 5.658 0.162 1 1 627 . 20 1 1 A 50 50 PHE C C 50 172.100 172.855 -0.755 1 1 628 . 20 1 1 A 50 50 PHE CA C 50 54.800 56.200 -1.400 1 1 629 . 20 1 1 A 50 50 PHE CB C 50 43.900 42.417 1.483 1 1 635 . 20 1 1 A 50 50 PHE N N 50 122.700 120.481 2.219 1 1 636 . 20 1 1 A 51 51 THR H H 51 8.190 8.834 -0.644 1 1 637 . 20 1 1 A 51 51 THR HA H 51 4.320 4.659 -0.339 1 1 642 . 20 1 1 A 51 51 THR C C 51 172.900 172.911 -0.011 1 1 643 . 20 1 1 A 51 51 THR CA C 51 61.700 61.086 0.614 1 1 644 . 20 1 1 A 51 51 THR CB C 51 72.500 71.456 1.044 1 1 646 . 20 1 1 A 51 51 THR N N 51 114.400 114.593 -0.193 1 1 647 . 20 1 1 A 52 52 ILE H H 52 8.880 9.227 -0.347 1 1 648 . 20 1 1 A 52 52 ILE HA H 52 4.650 4.614 0.036 1 1 658 . 20 1 1 A 52 52 ILE C C 52 176.000 175.043 0.957 1 1 659 . 20 1 1 A 52 52 ILE CA C 52 60.500 60.267 0.233 1 1 660 . 20 1 1 A 52 52 ILE CB C 52 38.900 39.474 -0.574 1 1 664 . 20 1 1 A 52 52 ILE N N 52 123.400 126.584 -3.184 1 1 665 . 20 1 1 A 53 53 TRP H H 53 8.020 8.662 -0.642 1 1 666 . 20 1 1 A 53 53 TRP HA H 53 4.740 4.861 -0.121 1 1 675 . 20 1 1 A 53 53 TRP C C 53 177.500 177.471 0.029 1 1 676 . 20 1 1 A 53 53 TRP CA C 53 57.700 56.931 0.769 1 1 677 . 20 1 1 A 53 53 TRP CB C 53 30.400 30.741 -0.341 1 1 683 . 20 1 1 A 53 53 TRP N N 53 129.500 128.578 0.922 1 1 685 . 20 1 1 A 54 54 LYS H H 54 8.980 9.288 -0.308 1 1 686 . 20 1 1 A 54 54 LYS HA H 54 4.100 4.093 0.007 1 1 695 . 20 1 1 A 54 54 LYS C C 54 177.700 178.483 -0.783 1 1 696 . 20 1 1 A 54 54 LYS CA C 54 59.400 60.016 -0.616 1 1 697 . 20 1 1 A 54 54 LYS CB C 54 32.400 32.243 0.157 1 1 701 . 20 1 1 A 54 54 LYS N N 54 125.500 124.251 1.249 1 1 702 . 20 1 1 A 55 55 ASN H H 55 8.600 8.348 0.252 1 1 703 . 20 1 1 A 55 55 ASN HA H 55 4.510 4.598 -0.088 1 1 708 . 20 1 1 A 55 55 ASN C C 55 175.300 176.944 -1.644 1 1 709 . 20 1 1 A 55 55 ASN CA C 55 53.700 55.184 -1.484 1 1 710 . 20 1 1 A 55 55 ASN CB C 55 37.100 38.268 -1.168 1 1 711 . 20 1 1 A 55 55 ASN N N 55 115.400 117.586 -2.186 1 1 713 . 20 1 1 A 56 56 ALA H H 56 7.630 7.940 -0.310 1 1 714 . 20 1 1 A 56 56 ALA HA H 56 3.970 4.356 -0.386 1 1 718 . 20 1 1 A 56 56 ALA C C 56 176.100 177.128 -1.028 1 1 719 . 20 1 1 A 56 56 ALA CA C 56 53.500 53.484 0.016 1 1 720 . 20 1 1 A 56 56 ALA CB C 56 18.400 19.966 -1.566 1 1 721 . 20 1 1 A 56 56 ALA N N 56 121.200 121.114 0.086 1 1 722 . 20 1 1 A 57 57 GLU H H 57 7.880 8.018 -0.138 1 1 723 . 20 1 1 A 57 57 GLU HA H 57 3.940 3.889 0.051 1 1 728 . 20 1 1 A 57 57 GLU C C 57 175.400 175.075 0.325 1 1 729 . 20 1 1 A 57 57 GLU CA C 57 56.700 57.312 -0.612 1 1 730 . 20 1 1 A 57 57 GLU CB C 57 27.300 27.261 0.039 1 1 732 . 20 1 1 A 57 57 GLU N N 57 112.500 114.492 -1.992 1 1 733 . 20 1 1 A 58 58 LEU H H 58 7.910 7.881 0.029 1 1 734 . 20 1 1 A 58 58 LEU HA H 58 4.740 4.739 0.001 1 1 744 . 20 1 1 A 58 58 LEU C C 58 175.400 174.432 0.968 1 1 745 . 20 1 1 A 58 58 LEU CA C 58 52.300 52.444 -0.144 1 1 746 . 20 1 1 A 58 58 LEU CB C 58 42.900 41.880 1.020 1 1 750 . 20 1 1 A 58 58 LEU N N 58 120.000 120.354 -0.354 1 1 751 . 20 1 1 A 59 59 PRO HA H 59 4.380 4.528 -0.148 1 1 758 . 20 1 1 A 59 59 PRO CA C 59 62.200 62.963 -0.763 1 1 759 . 20 1 1 A 59 59 PRO CB C 59 32.000 31.849 0.151 1 1 762 . 20 1 1 A 60 60 LEU H H 60 7.860 8.279 -0.419 1 1 763 . 20 1 1 A 60 60 LEU HA H 60 3.920 4.500 -0.580 1 1 773 . 20 1 1 A 60 60 LEU C C 60 178.300 177.368 0.932 1 1 774 . 20 1 1 A 60 60 LEU CA C 60 55.000 54.819 0.181 1 1 775 . 20 1 1 A 60 60 LEU CB C 60 41.800 42.594 -0.794 1 1 779 . 20 1 1 A 60 60 LEU N N 60 117.500 123.770 -6.270 1 1 780 . 20 1 1 A 61 61 LEU H H 61 9.680 8.396 1.284 1 1 781 . 20 1 1 A 61 61 LEU HA H 61 4.040 4.353 -0.313 1 1 791 . 20 1 1 A 61 61 LEU C C 61 177.300 176.653 0.647 1 1 792 . 20 1 1 A 61 61 LEU CA C 61 54.100 54.221 -0.121 1 1 793 . 20 1 1 A 61 61 LEU CB C 61 41.300 42.350 -1.050 1 1 797 . 20 1 1 A 61 61 LEU N N 61 122.300 124.211 -1.911 1 1 798 . 20 1 1 A 62 62 GLU H H 62 8.390 9.766 -1.376 1 1 799 . 20 1 1 A 62 62 GLU HA H 62 4.430 4.771 -0.341 1 1 804 . 20 1 1 A 62 62 GLU C C 62 175.600 176.422 -0.822 1 1 805 . 20 1 1 A 62 62 GLU CA C 62 54.800 54.452 0.348 1 1 806 . 20 1 1 A 62 62 GLU CB C 62 32.200 32.359 -0.159 1 1 808 . 20 1 1 A 62 62 GLU N N 62 120.500 121.650 -1.150 1 1 809 . 20 1 1 A 63 63 GLN H H 63 8.780 8.822 -0.042 1 1 810 . 20 1 1 A 63 63 GLN HA H 63 3.700 4.100 -0.400 1 1 817 . 20 1 1 A 63 63 GLN C C 63 176.600 176.910 -0.310 1 1 818 . 20 1 1 A 63 63 GLN CA C 63 58.100 57.793 0.307 1 1 819 . 20 1 1 A 63 63 GLN CB C 63 28.300 28.583 -0.283 1 1 821 . 20 1 1 A 63 63 GLN N N 63 123.300 123.560 -0.260 1 1 823 . 20 1 1 A 64 64 GLY H H 64 9.140 8.865 0.275 1 1 824 . 20 1 1 A 64 64 GLY HA2 H 64 3.580 4.020 -0.440 1 1 825 . 20 1 1 A 64 64 GLY HA3 H 64 4.390 4.025 0.365 1 1 826 . 20 1 1 A 64 64 GLY C C 64 173.900 174.402 -0.502 1 1 827 . 20 1 1 A 64 64 GLY CA C 64 45.300 44.950 0.350 1 1 828 . 20 1 1 A 64 64 GLY N N 64 115.100 112.435 2.665 1 1 829 . 20 1 1 A 65 65 GLU H H 65 7.590 7.566 0.024 1 1 830 . 20 1 1 A 65 65 GLU HA H 65 4.490 4.610 -0.120 1 1 835 . 20 1 1 A 65 65 GLU C C 65 174.200 176.111 -1.911 1 1 836 . 20 1 1 A 65 65 GLU CA C 65 54.900 54.863 0.037 1 1 837 . 20 1 1 A 65 65 GLU CB C 65 30.500 31.102 -0.602 1 1 839 . 20 1 1 A 65 65 GLU N N 65 120.300 120.680 -0.380 1 1 840 . 20 1 1 A 66 66 SER H H 66 8.700 8.223 0.477 1 1 841 . 20 1 1 A 66 66 SER HA H 66 5.330 5.151 0.179 1 1 844 . 20 1 1 A 66 66 SER C C 66 174.100 173.250 0.850 1 1 845 . 20 1 1 A 66 66 SER CA C 66 58.300 56.893 1.407 1 1 846 . 20 1 1 A 66 66 SER CB C 66 65.500 65.202 0.298 1 1 847 . 20 1 1 A 66 66 SER N N 66 116.500 114.733 1.767 1 1 848 . 20 1 1 A 67 67 TYR H H 67 9.090 8.707 0.383 1 1 849 . 20 1 1 A 67 67 TYR HA H 67 5.110 5.055 0.055 1 1 856 . 20 1 1 A 67 67 TYR C C 67 173.900 174.366 -0.466 1 1 857 . 20 1 1 A 67 67 TYR CA C 67 57.500 56.397 1.103 1 1 858 . 20 1 1 A 67 67 TYR CB C 67 43.900 42.675 1.225 1 1 863 . 20 1 1 A 67 67 TYR N N 67 119.000 119.645 -0.645 1 1 864 . 20 1 1 A 68 68 LEU H H 68 9.230 8.971 0.259 1 1 865 . 20 1 1 A 68 68 LEU HA H 68 5.000 4.997 0.003 1 1 875 . 20 1 1 A 68 68 LEU C C 68 175.300 174.484 0.816 1 1 876 . 20 1 1 A 68 68 LEU CA C 68 54.300 53.969 0.331 1 1 877 . 20 1 1 A 68 68 LEU CB C 68 43.800 44.816 -1.016 1 1 881 . 20 1 1 A 68 68 LEU N N 68 121.800 124.700 -2.900 1 1 882 . 20 1 1 A 69 69 LEU H H 69 9.460 9.035 0.425 1 1 883 . 20 1 1 A 69 69 LEU HA H 69 5.010 4.960 0.050 1 1 893 . 20 1 1 A 69 69 LEU C C 69 175.000 175.576 -0.576 1 1 894 . 20 1 1 A 69 69 LEU CA C 69 54.100 53.887 0.213 1 1 895 . 20 1 1 A 69 69 LEU CB C 69 42.300 42.416 -0.116 1 1 899 . 20 1 1 A 69 69 LEU N N 69 128.500 128.461 0.039 1 1 900 . 20 1 1 A 70 70 ARG H H 70 8.910 8.455 0.455 1 1 901 . 20 1 1 A 70 70 ARG HA H 70 4.850 4.802 0.048 1 1 909 . 20 1 1 A 70 70 ARG C C 70 176.400 176.749 -0.349 1 1 910 . 20 1 1 A 70 70 ARG CA C 70 54.900 54.591 0.309 1 1 911 . 20 1 1 A 70 70 ARG CB C 70 32.300 32.476 -0.176 1 1 914 . 20 1 1 A 70 70 ARG N N 70 121.500 124.701 -3.201 1 1 916 . 20 1 1 A 71 71 SER H H 71 8.800 9.714 -0.914 1 1 917 . 20 1 1 A 71 71 SER HA H 71 3.870 4.185 -0.315 1 1 920 . 20 1 1 A 71 71 SER C C 71 175.800 173.445 2.355 1 1 921 . 20 1 1 A 71 71 SER CA C 71 58.600 59.148 -0.548 1 1 922 . 20 1 1 A 71 71 SER CB C 71 62.000 61.764 0.236 1 1 923 . 20 1 1 A 71 71 SER N N 71 114.400 117.797 -3.397 1 1 924 . 20 1 1 A 72 72 VAL H H 72 8.750 7.545 1.205 1 1 925 . 20 1 1 A 72 72 VAL HA H 72 4.610 5.282 -0.672 1 1 933 . 20 1 1 A 72 72 VAL C C 72 173.300 174.032 -0.732 1 1 934 . 20 1 1 A 72 72 VAL CA C 72 59.300 59.634 -0.334 1 1 935 . 20 1 1 A 72 72 VAL CB C 72 31.900 34.739 -2.839 1 1 938 . 20 1 1 A 72 72 VAL N N 72 115.500 115.414 0.086 1 1 939 . 20 1 1 A 73 73 VAL H H 73 7.940 8.799 -0.859 1 1 940 . 20 1 1 A 73 73 VAL HA H 73 4.760 4.734 0.026 1 1 948 . 20 1 1 A 73 73 VAL C C 73 174.300 173.595 0.705 1 1 949 . 20 1 1 A 73 73 VAL CA C 73 58.800 59.227 -0.427 1 1 950 . 20 1 1 A 73 73 VAL CB C 73 34.500 35.048 -0.548 1 1 953 . 20 1 1 A 73 73 VAL N N 73 118.200 120.978 -2.778 1 1 954 . 20 1 1 A 74 74 VAL H H 74 8.430 8.165 0.265 1 1 955 . 20 1 1 A 74 74 VAL HA H 74 4.560 4.573 -0.013 1 1 963 . 20 1 1 A 74 74 VAL C C 74 177.300 175.812 1.488 1 1 964 . 20 1 1 A 74 74 VAL CA C 74 62.100 60.874 1.226 1 1 965 . 20 1 1 A 74 74 VAL CB C 74 32.700 32.959 -0.259 1 1 968 . 20 1 1 A 74 74 VAL N N 74 127.800 125.563 2.237 1 1 969 . 20 1 1 A 75 75 GLY H H 75 9.040 9.626 -0.586 1 1 970 . 20 1 1 A 75 75 GLY HA2 H 75 3.750 4.294 -0.544 1 1 971 . 20 1 1 A 75 75 GLY HA3 H 75 5.120 4.332 0.788 1 1 972 . 20 1 1 A 75 75 GLY C C 75 172.500 172.010 0.490 1 1 973 . 20 1 1 A 75 75 GLY CA C 75 43.700 44.245 -0.545 1 1 974 . 20 1 1 A 75 75 GLY N N 75 116.000 115.676 0.324 1 1 975 . 20 1 1 A 76 76 GLU H H 76 8.380 8.622 -0.242 1 1 976 . 20 1 1 A 76 76 GLU HA H 76 4.690 4.538 0.152 1 1 981 . 20 1 1 A 76 76 GLU C C 76 176.000 174.766 1.234 1 1 982 . 20 1 1 A 76 76 GLU CA C 76 56.100 55.433 0.667 1 1 983 . 20 1 1 A 76 76 GLU CB C 76 32.000 30.417 1.583 1 1 985 . 20 1 1 A 76 76 GLU N N 76 120.200 122.669 -2.469 1 1 986 . 20 1 1 A 77 77 TYR H H 77 8.430 8.525 -0.095 1 1 987 . 20 1 1 A 77 77 TYR HA H 77 4.570 4.913 -0.343 1 1 994 . 20 1 1 A 77 77 TYR C C 77 174.200 175.421 -1.221 1 1 995 . 20 1 1 A 77 77 TYR CA C 77 56.500 57.012 -0.512 1 1 996 . 20 1 1 A 77 77 TYR CB C 77 39.800 39.734 0.066 1 1 1001 . 20 1 1 A 77 77 TYR N N 77 124.400 129.453 -5.053 1 1 1002 . 20 1 1 A 78 78 ASN H H 78 9.100 8.700 0.400 1 1 1003 . 20 1 1 A 78 78 ASN HA H 78 4.000 4.389 -0.389 1 1 1008 . 20 1 1 A 78 78 ASN C C 78 177.300 174.768 2.532 1 1 1009 . 20 1 1 A 78 78 ASN CA C 78 54.700 54.815 -0.115 1 1 1010 . 20 1 1 A 78 78 ASN CB C 78 36.600 37.467 -0.867 1 1 1011 . 20 1 1 A 78 78 ASN N N 78 125.800 126.634 -0.834 1 1 1013 . 20 1 1 A 79 79 ASP H H 79 8.640 8.364 0.276 1 1 1014 . 20 1 1 A 79 79 ASP HA H 79 4.240 4.526 -0.286 1 1 1017 . 20 1 1 A 79 79 ASP C C 79 174.600 176.044 -1.444 1 1 1018 . 20 1 1 A 79 79 ASP CA C 79 54.900 54.805 0.095 1 1 1019 . 20 1 1 A 79 79 ASP CB C 79 39.700 41.629 -1.929 1 1 1020 . 20 1 1 A 79 79 ASP N N 79 115.700 125.587 -9.887 1 1 1021 . 20 1 1 A 80 80 ARG H H 80 7.880 7.641 0.239 1 1 1022 . 20 1 1 A 80 80 ARG HA H 80 4.370 4.656 -0.286 1 1 1030 . 20 1 1 A 80 80 ARG C C 80 175.000 175.393 -0.393 1 1 1031 . 20 1 1 A 80 80 ARG CA C 80 54.200 54.541 -0.341 1 1 1032 . 20 1 1 A 80 80 ARG CB C 80 31.800 31.774 0.026 1 1 1035 . 20 1 1 A 80 80 ARG N N 80 119.700 117.514 2.186 1 1 1037 . 20 1 1 A 81 81 PHE H H 81 8.410 8.873 -0.463 1 1 1038 . 20 1 1 A 81 81 PHE HA H 81 5.420 5.333 0.087 1 1 1046 . 20 1 1 A 81 81 PHE C C 81 174.400 175.061 -0.661 1 1 1047 . 20 1 1 A 81 81 PHE CA C 81 57.200 56.644 0.556 1 1 1048 . 20 1 1 A 81 81 PHE CB C 81 42.000 42.282 -0.282 1 1 1054 . 20 1 1 A 81 81 PHE N N 81 120.700 118.348 2.352 1 1 1055 . 20 1 1 A 82 82 GLN H H 82 8.950 8.950 0.000 1 1 1056 . 20 1 1 A 82 82 GLN HA H 82 5.110 5.099 0.011 1 1 1063 . 20 1 1 A 82 82 GLN C C 82 172.400 173.591 -1.191 1 1 1064 . 20 1 1 A 82 82 GLN CA C 82 53.500 54.274 -0.774 1 1 1065 . 20 1 1 A 82 82 GLN CB C 82 31.900 32.509 -0.609 1 1 1067 . 20 1 1 A 82 82 GLN N N 82 115.000 118.548 -3.548 1 1 1069 . 20 1 1 A 83 83 VAL H H 83 9.090 8.733 0.357 1 1 1070 . 20 1 1 A 83 83 VAL HA H 83 4.380 4.735 -0.355 1 1 1078 . 20 1 1 A 83 83 VAL C C 83 174.600 174.854 -0.254 1 1 1079 . 20 1 1 A 83 83 VAL CA C 83 61.600 61.596 0.004 1 1 1080 . 20 1 1 A 83 83 VAL CB C 83 33.500 33.252 0.248 1 1 1083 . 20 1 1 A 83 83 VAL N N 83 118.900 122.453 -3.553 1 1 1084 . 20 1 1 A 84 84 GLN H H 84 9.280 8.702 0.578 1 1 1085 . 20 1 1 A 84 84 GLN HA H 84 5.020 5.139 -0.119 1 1 1092 . 20 1 1 A 84 84 GLN C C 84 174.500 174.680 -0.180 1 1 1093 . 20 1 1 A 84 84 GLN CA C 84 54.400 55.002 -0.602 1 1 1094 . 20 1 1 A 84 84 GLN CB C 84 29.900 30.772 -0.872 1 1 1096 . 20 1 1 A 84 84 GLN N N 84 124.800 127.310 -2.510 1 1 1098 . 20 1 1 A 85 85 VAL H H 85 8.680 8.888 -0.208 1 1 1099 . 20 1 1 A 85 85 VAL HA H 85 4.300 4.808 -0.508 1 1 1107 . 20 1 1 A 85 85 VAL C C 85 174.500 175.233 -0.733 1 1 1108 . 20 1 1 A 85 85 VAL CA C 85 61.700 61.434 0.266 1 1 1109 . 20 1 1 A 85 85 VAL CB C 85 31.700 32.858 -1.158 1 1 1112 . 20 1 1 A 85 85 VAL N N 85 125.500 125.437 0.063 1 1 1113 . 20 1 1 A 86 86 ASN H H 86 8.740 8.655 0.085 1 1 1114 . 20 1 1 A 86 86 ASN HA H 86 5.240 5.291 -0.051 1 1 1119 . 20 1 1 A 86 86 ASN C C 86 175.300 176.162 -0.862 1 1 1120 . 20 1 1 A 86 86 ASN CA C 86 51.800 51.506 0.294 1 1 1121 . 20 1 1 A 86 86 ASN CB C 86 42.400 40.044 2.356 1 1 1122 . 20 1 1 A 86 86 ASN N N 86 124.000 124.552 -0.552 1 1 1124 . 20 1 1 A 87 87 LYS H H 87 8.530 9.174 -0.644 1 1 1125 . 20 1 1 A 87 87 LYS HA H 87 4.210 4.088 0.122 1 1 1134 . 20 1 1 A 87 87 LYS C C 87 176.700 178.584 -1.884 1 1 1135 . 20 1 1 A 87 87 LYS CA C 87 59.000 59.292 -0.292 1 1 1136 . 20 1 1 A 87 87 LYS CB C 87 32.400 32.188 0.212 1 1 1140 . 20 1 1 A 87 87 LYS N N 87 117.600 117.445 0.155 1 1 1141 . 20 1 1 A 88 88 ASN H H 88 8.600 8.064 0.536 1 1 1142 . 20 1 1 A 88 88 ASN HA H 88 4.810 4.612 0.198 1 1 1147 . 20 1 1 A 88 88 ASN C C 88 175.600 176.066 -0.466 1 1 1148 . 20 1 1 A 88 88 ASN CA C 88 54.100 55.518 -1.418 1 1 1149 . 20 1 1 A 88 88 ASN CB C 88 39.100 38.451 0.649 1 1 1150 . 20 1 1 A 88 88 ASN N N 88 115.500 117.182 -1.682 1 1 1152 . 20 1 1 A 89 89 SER H H 89 8.150 7.966 0.184 1 1 1153 . 20 1 1 A 89 89 SER HA H 89 5.120 5.015 0.105 1 1 1156 . 20 1 1 A 89 89 SER C C 89 172.400 173.724 -1.324 1 1 1157 . 20 1 1 A 89 89 SER CA C 89 58.100 58.520 -0.420 1 1 1158 . 20 1 1 A 89 89 SER CB C 89 64.000 65.129 -1.129 1 1 1159 . 20 1 1 A 89 89 SER N N 89 117.500 115.978 1.522 1 1 1160 . 20 1 1 A 90 90 SER H H 90 8.200 8.673 -0.473 1 1 1161 . 20 1 1 A 90 90 SER HA H 90 4.680 5.263 -0.583 1 1 1164 . 20 1 1 A 90 90 SER C C 90 172.400 172.956 -0.556 1 1 1165 . 20 1 1 A 90 90 SER CA C 90 57.700 56.965 0.735 1 1 1166 . 20 1 1 A 90 90 SER CB C 90 65.700 66.952 -1.252 1 1 1167 . 20 1 1 A 90 90 SER N N 90 113.200 114.423 -1.223 1 1 1168 . 20 1 1 A 91 91 ILE H H 91 8.640 8.677 -0.037 1 1 1169 . 20 1 1 A 91 91 ILE HA H 91 5.030 5.158 -0.128 1 1 1179 . 20 1 1 A 91 91 ILE C C 91 175.300 174.556 0.744 1 1 1180 . 20 1 1 A 91 91 ILE CA C 91 60.200 60.300 -0.100 1 1 1181 . 20 1 1 A 91 91 ILE CB C 91 42.200 42.309 -0.109 1 1 1185 . 20 1 1 A 91 91 ILE N N 91 119.700 121.474 -1.774 1 1 1186 . 20 1 1 A 92 92 GLU H H 92 8.810 8.744 0.066 1 1 1187 . 20 1 1 A 92 92 GLU HA H 92 4.710 5.023 -0.313 1 1 1192 . 20 1 1 A 92 92 GLU C C 92 174.700 175.122 -0.422 1 1 1193 . 20 1 1 A 92 92 GLU CA C 92 54.600 54.499 0.101 1 1 1194 . 20 1 1 A 92 92 GLU CB C 92 33.300 33.590 -0.290 1 1 1196 . 20 1 1 A 92 92 GLU N N 92 125.900 124.265 1.635 1 1 1197 . 20 1 1 A 93 93 LYS H H 93 9.080 8.480 0.600 1 1 1198 . 20 1 1 A 93 93 LYS HA H 93 4.100 4.123 -0.023 1 1 1207 . 20 1 1 A 93 93 LYS C C 93 176.400 176.130 0.270 1 1 1208 . 20 1 1 A 93 93 LYS CA C 93 57.500 56.514 0.986 1 1 1209 . 20 1 1 A 93 93 LYS CB C 93 32.900 33.112 -0.212 1 1 1213 . 20 1 1 A 93 93 LYS N N 93 127.600 123.165 4.435 1 1 1214 . 20 1 1 A 94 94 LEU H H 94 8.410 8.354 0.056 1 1 1215 . 20 1 1 A 94 94 LEU HA H 94 4.480 4.952 -0.472 1 1 1224 . 20 1 1 A 94 94 LEU C C 94 177.300 177.608 -0.308 1 1 1225 . 20 1 1 A 94 94 LEU CA C 94 53.900 53.185 0.715 1 1 1226 . 20 1 1 A 94 94 LEU CB C 94 42.900 44.272 -1.372 1 1 1230 . 20 1 1 A 94 94 LEU N N 94 127.300 124.410 2.890 1 1 1231 . 20 1 1 A 95 95 SER H H 95 8.630 8.523 0.107 1 1 1232 . 20 1 1 A 95 95 SER HA H 95 4.350 4.527 -0.177 1 1 1235 . 20 1 1 A 95 95 SER C C 95 173.800 174.139 -0.339 1 1 1236 . 20 1 1 A 95 95 SER CA C 95 58.900 58.569 0.331 1 1 1237 . 20 1 1 A 95 95 SER CB C 95 63.400 63.759 -0.359 1 1 1238 . 20 1 1 A 95 95 SER N N 95 115.700 116.483 -0.783 1 1 1239 . 20 1 1 A 96 96 GLU H H 96 7.230 7.652 -0.422 1 1 1240 . 20 1 1 A 96 96 GLU HA H 96 4.750 4.691 0.059 1 1 1245 . 20 1 1 A 96 96 GLU CA C 96 53.000 53.713 -0.713 1 1 1246 . 20 1 1 A 96 96 GLU CB C 96 30.700 30.322 0.378 1 1 1248 . 20 1 1 A 96 96 GLU N N 96 121.600 121.292 0.308 1 1 1249 . 20 1 1 A 97 97 PRO HA H 97 4.250 4.529 -0.279 1 1 1256 . 20 1 1 A 97 97 PRO CA C 97 62.400 62.714 -0.314 1 1 1257 . 20 1 1 A 97 97 PRO CB C 97 32.600 32.435 0.165 1 1 1260 . 20 1 1 A 98 98 ILE H H 98 7.920 8.404 -0.484 1 1 1261 . 20 1 1 A 98 98 ILE HA H 98 4.070 4.686 -0.616 1 1 1271 . 20 1 1 A 98 98 ILE C C 98 175.400 175.269 0.131 1 1 1272 . 20 1 1 A 98 98 ILE CA C 98 59.300 59.686 -0.386 1 1 1273 . 20 1 1 A 98 98 ILE CB C 98 38.300 40.099 -1.799 1 1 1277 . 20 1 1 A 98 98 ILE N N 98 122.700 120.866 1.834 1 1 1278 . 20 1 1 A 99 99 GLU H H 99 8.550 8.673 -0.123 1 1 1279 . 20 1 1 A 99 99 GLU HA H 99 4.260 4.488 -0.228 1 1 1284 . 20 1 1 A 99 99 GLU C C 99 175.100 177.188 -2.088 1 1 1285 . 20 1 1 A 99 99 GLU CA C 99 55.500 56.898 -1.398 1 1 1286 . 20 1 1 A 99 99 GLU CB C 99 30.000 29.887 0.113 1 1 1288 . 20 1 1 A 99 99 GLU N N 99 127.900 127.701 0.199 1 1 1289 . 20 1 1 A 100 100 VAL H H 100 7.970 8.768 -0.798 1 1 1290 . 20 1 1 A 100 100 VAL HA H 100 3.980 4.542 -0.562 1 1 1298 . 20 1 1 A 100 100 VAL C C 100 176.700 175.802 0.898 1 1 1299 . 20 1 1 A 100 100 VAL CA C 100 61.000 61.398 -0.398 1 1 1300 . 20 1 1 A 100 100 VAL CB C 100 33.000 32.692 0.308 1 1 1303 . 20 1 1 A 100 100 VAL N N 100 121.100 121.856 -0.756 1 1 1304 . 20 1 1 A 101 101 GLY H H 101 8.520 7.728 0.792 1 1 1305 . 20 1 1 A 101 101 GLY HA2 H 101 3.830 4.296 -0.466 1 1 1306 . 20 1 1 A 101 101 GLY HA3 H 101 3.980 4.300 -0.320 1 1 1307 . 20 1 1 A 101 101 GLY C C 101 174.200 172.808 1.392 1 1 1308 . 20 1 1 A 101 101 GLY CA C 101 45.800 44.890 0.910 1 1 1309 . 20 1 1 A 101 101 GLY N N 101 114.000 109.410 4.590 1 1 1310 . 20 1 1 A 102 102 LEU H H 102 8.100 8.557 -0.457 1 1 1311 . 20 1 1 A 102 102 LEU HA H 102 4.170 4.675 -0.505 1 1 1320 . 20 1 1 A 102 102 LEU C C 102 177.700 176.377 1.323 1 1 1321 . 20 1 1 A 102 102 LEU CA C 102 55.500 53.754 1.746 1 1 1322 . 20 1 1 A 102 102 LEU CB C 102 42.600 42.260 0.340 1 1 1326 . 20 1 1 A 102 102 LEU N N 102 121.000 123.593 -2.593 1 1 1327 . 20 1 1 A 103 103 GLU H H 103 8.420 8.537 -0.117 1 1 1328 . 20 1 1 A 103 103 GLU HA H 103 4.090 3.938 0.152 1 1 1333 . 20 1 1 A 103 103 GLU C C 103 176.400 176.803 -0.403 1 1 1334 . 20 1 1 A 103 103 GLU CA C 103 57.100 56.559 0.541 1 1 1335 . 20 1 1 A 103 103 GLU CB C 103 29.900 29.240 0.660 1 1 1337 . 20 1 1 A 103 103 GLU N N 103 120.000 125.083 -5.083 1 1 1338 . 20 1 1 A 104 104 HIS H H 104 8.180 8.939 -0.759 1 1 1339 . 20 1 1 A 104 104 HIS HA H 104 4.580 4.239 0.341 1 1 1342 . 20 1 1 A 104 104 HIS C C 104 173.800 176.763 -2.963 1 1 1343 . 20 1 1 A 104 104 HIS CA C 104 55.700 59.668 -3.968 1 1 1344 . 20 1 1 A 104 104 HIS CB C 104 30.000 30.493 -0.493 1 1 1345 . 20 1 1 A 104 104 HIS N N 104 119.000 126.358 -7.358 1 1 1346 . 20 1 1 A 105 105 HIS H H 105 8.160 8.315 -0.155 1 1 1347 . 20 1 1 A 105 105 HIS HA H 105 4.380 4.753 -0.373 1 1 1350 . 20 1 1 A 105 105 HIS CA C 105 57.200 57.132 0.068 1 1 1351 . 20 1 1 A 105 105 HIS CB C 105 30.000 31.680 -1.680 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 99 1.114 1 2 1 1 1 "RMS(OBS, PRED)" CA 103 1.070 1 3 1 1 1 "RMS(OBS, PRED)" CB 96 1.341 1 4 1 1 1 "RMS(OBS, PRED)" H 100 0.522 1 5 1 1 1 "RMS(OBS, PRED)" HA 110 0.424 1 6 1 1 1 "RMS(OBS, PRED)" N 99 3.261 1 7 1 2 1 "RMS(OBS, PRED)" C 99 1.114 1 8 1 2 1 "RMS(OBS, PRED)" CA 103 0.986 1 9 1 2 1 "RMS(OBS, PRED)" CB 96 1.299 1 10 1 2 1 "RMS(OBS, PRED)" H 100 0.544 1 11 1 2 1 "RMS(OBS, PRED)" HA 110 0.423 1 12 1 2 1 "RMS(OBS, PRED)" N 99 3.253 1 13 1 3 1 "RMS(OBS, PRED)" C 99 1.152 1 14 1 3 1 "RMS(OBS, PRED)" CA 103 0.850 1 15 1 3 1 "RMS(OBS, PRED)" CB 96 1.188 1 16 1 3 1 "RMS(OBS, PRED)" H 100 0.556 1 17 1 3 1 "RMS(OBS, PRED)" HA 110 0.400 1 18 1 3 1 "RMS(OBS, PRED)" N 99 3.146 1 19 1 4 1 "RMS(OBS, PRED)" C 99 1.071 1 20 1 4 1 "RMS(OBS, PRED)" CA 103 0.933 1 21 1 4 1 "RMS(OBS, PRED)" CB 96 1.198 1 22 1 4 1 "RMS(OBS, PRED)" H 100 0.544 1 23 1 4 1 "RMS(OBS, PRED)" HA 110 0.420 1 24 1 4 1 "RMS(OBS, PRED)" N 99 3.087 1 25 1 5 1 "RMS(OBS, PRED)" C 99 1.106 1 26 1 5 1 "RMS(OBS, PRED)" CA 103 0.942 1 27 1 5 1 "RMS(OBS, PRED)" CB 96 1.249 1 28 1 5 1 "RMS(OBS, PRED)" H 100 0.518 1 29 1 5 1 "RMS(OBS, PRED)" HA 110 0.424 1 30 1 5 1 "RMS(OBS, PRED)" N 99 3.018 1 31 1 6 1 "RMS(OBS, PRED)" C 99 1.187 1 32 1 6 1 "RMS(OBS, PRED)" CA 103 1.157 1 33 1 6 1 "RMS(OBS, PRED)" CB 96 1.329 1 34 1 6 1 "RMS(OBS, PRED)" H 100 0.492 1 35 1 6 1 "RMS(OBS, PRED)" HA 110 0.404 1 36 1 6 1 "RMS(OBS, PRED)" N 99 3.416 1 37 1 7 1 "RMS(OBS, PRED)" C 99 1.142 1 38 1 7 1 "RMS(OBS, PRED)" CA 103 1.033 1 39 1 7 1 "RMS(OBS, PRED)" CB 96 1.217 1 40 1 7 1 "RMS(OBS, PRED)" H 100 0.542 1 41 1 7 1 "RMS(OBS, PRED)" HA 110 0.418 1 42 1 7 1 "RMS(OBS, PRED)" N 99 2.931 1 43 1 8 1 "RMS(OBS, PRED)" C 99 1.109 1 44 1 8 1 "RMS(OBS, PRED)" CA 103 0.936 1 45 1 8 1 "RMS(OBS, PRED)" CB 96 1.191 1 46 1 8 1 "RMS(OBS, PRED)" H 100 0.502 1 47 1 8 1 "RMS(OBS, PRED)" HA 110 0.392 1 48 1 8 1 "RMS(OBS, PRED)" N 99 3.343 1 49 1 9 1 "RMS(OBS, PRED)" C 99 1.116 1 50 1 9 1 "RMS(OBS, PRED)" CA 103 0.932 1 51 1 9 1 "RMS(OBS, PRED)" CB 96 1.267 1 52 1 9 1 "RMS(OBS, PRED)" H 100 0.521 1 53 1 9 1 "RMS(OBS, PRED)" HA 110 0.437 1 54 1 9 1 "RMS(OBS, PRED)" N 99 3.169 1 55 1 10 1 "RMS(OBS, PRED)" C 99 1.100 1 56 1 10 1 "RMS(OBS, PRED)" CA 103 0.905 1 57 1 10 1 "RMS(OBS, PRED)" CB 96 1.152 1 58 1 10 1 "RMS(OBS, PRED)" H 100 0.497 1 59 1 10 1 "RMS(OBS, PRED)" HA 110 0.409 1 60 1 10 1 "RMS(OBS, PRED)" N 99 2.925 1 61 1 11 1 "RMS(OBS, PRED)" C 99 1.120 1 62 1 11 1 "RMS(OBS, PRED)" CA 103 1.103 1 63 1 11 1 "RMS(OBS, PRED)" CB 96 1.237 1 64 1 11 1 "RMS(OBS, PRED)" H 100 0.574 1 65 1 11 1 "RMS(OBS, PRED)" HA 110 0.436 1 66 1 11 1 "RMS(OBS, PRED)" N 99 2.970 1 67 1 12 1 "RMS(OBS, PRED)" C 99 1.103 1 68 1 12 1 "RMS(OBS, PRED)" CA 103 1.026 1 69 1 12 1 "RMS(OBS, PRED)" CB 96 1.190 1 70 1 12 1 "RMS(OBS, PRED)" H 100 0.529 1 71 1 12 1 "RMS(OBS, PRED)" HA 110 0.410 1 72 1 12 1 "RMS(OBS, PRED)" N 99 2.944 1 73 1 13 1 "RMS(OBS, PRED)" C 99 1.135 1 74 1 13 1 "RMS(OBS, PRED)" CA 103 0.905 1 75 1 13 1 "RMS(OBS, PRED)" CB 96 1.203 1 76 1 13 1 "RMS(OBS, PRED)" H 100 0.540 1 77 1 13 1 "RMS(OBS, PRED)" HA 110 0.410 1 78 1 13 1 "RMS(OBS, PRED)" N 99 2.933 1 79 1 14 1 "RMS(OBS, PRED)" C 99 1.170 1 80 1 14 1 "RMS(OBS, PRED)" CA 103 1.099 1 81 1 14 1 "RMS(OBS, PRED)" CB 96 1.364 1 82 1 14 1 "RMS(OBS, PRED)" H 100 0.526 1 83 1 14 1 "RMS(OBS, PRED)" HA 110 0.410 1 84 1 14 1 "RMS(OBS, PRED)" N 99 2.866 1 85 1 15 1 "RMS(OBS, PRED)" C 99 1.092 1 86 1 15 1 "RMS(OBS, PRED)" CA 103 0.909 1 87 1 15 1 "RMS(OBS, PRED)" CB 96 1.195 1 88 1 15 1 "RMS(OBS, PRED)" H 100 0.540 1 89 1 15 1 "RMS(OBS, PRED)" HA 110 0.413 1 90 1 15 1 "RMS(OBS, PRED)" N 99 3.235 1 91 1 16 1 "RMS(OBS, PRED)" C 99 1.041 1 92 1 16 1 "RMS(OBS, PRED)" CA 103 0.898 1 93 1 16 1 "RMS(OBS, PRED)" CB 96 1.186 1 94 1 16 1 "RMS(OBS, PRED)" H 100 0.521 1 95 1 16 1 "RMS(OBS, PRED)" HA 110 0.402 1 96 1 16 1 "RMS(OBS, PRED)" N 99 2.945 1 97 1 17 1 "RMS(OBS, PRED)" C 99 1.057 1 98 1 17 1 "RMS(OBS, PRED)" CA 103 1.017 1 99 1 17 1 "RMS(OBS, PRED)" CB 96 1.180 1 100 1 17 1 "RMS(OBS, PRED)" H 100 0.504 1 101 1 17 1 "RMS(OBS, PRED)" HA 110 0.416 1 102 1 17 1 "RMS(OBS, PRED)" N 99 3.301 1 103 1 18 1 "RMS(OBS, PRED)" C 99 1.066 1 104 1 18 1 "RMS(OBS, PRED)" CA 103 0.858 1 105 1 18 1 "RMS(OBS, PRED)" CB 96 1.129 1 106 1 18 1 "RMS(OBS, PRED)" H 100 0.518 1 107 1 18 1 "RMS(OBS, PRED)" HA 110 0.400 1 108 1 18 1 "RMS(OBS, PRED)" N 99 2.994 1 109 1 19 1 "RMS(OBS, PRED)" C 99 1.097 1 110 1 19 1 "RMS(OBS, PRED)" CA 103 0.916 1 111 1 19 1 "RMS(OBS, PRED)" CB 96 1.212 1 112 1 19 1 "RMS(OBS, PRED)" H 100 0.518 1 113 1 19 1 "RMS(OBS, PRED)" HA 110 0.412 1 114 1 19 1 "RMS(OBS, PRED)" N 99 2.950 1 115 1 20 1 "RMS(OBS, PRED)" C 99 1.148 1 116 1 20 1 "RMS(OBS, PRED)" CA 103 0.881 1 117 1 20 1 "RMS(OBS, PRED)" CB 96 1.205 1 118 1 20 1 "RMS(OBS, PRED)" H 100 0.553 1 119 1 20 1 "RMS(OBS, PRED)" HA 110 0.409 1 120 1 20 1 "RMS(OBS, PRED)" N 99 3.170 1 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.Conformer_type "average" _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.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_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.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 A 3 3 PRO HA H 3 4.430 4.549 -0.119 2 1 8 . 1 1 A 3 3 PRO C C 3 175.600 176.265 -0.665 2 1 9 . 1 1 A 3 3 PRO CA C 3 62.510 62.609 -0.099 2 1 10 . 1 1 A 3 3 PRO CB C 3 32.000 32.163 -0.163 2 1 13 . 1 1 A 4 4 GLN H H 4 8.580 8.467 0.113 2 1 14 . 1 1 A 4 4 GLN HA H 4 4.260 4.556 -0.296 2 1 21 . 1 1 A 4 4 GLN C C 4 176.900 175.196 1.704 2 1 22 . 1 1 A 4 4 GLN CA C 4 55.700 55.792 -0.092 2 1 23 . 1 1 A 4 4 GLN CB C 4 29.200 29.269 -0.069 2 1 25 . 1 1 A 4 4 GLN N N 4 120.000 121.048 -1.048 2 1 27 . 1 1 A 5 5 LEU H H 5 8.920 9.023 -0.103 2 1 28 . 1 1 A 5 5 LEU HA H 5 4.660 5.047 -0.387 2 1 38 . 1 1 A 5 5 LEU C C 5 176.900 176.162 0.738 2 1 39 . 1 1 A 5 5 LEU CA C 5 54.700 53.961 0.739 2 1 40 . 1 1 A 5 5 LEU CB C 5 43.000 43.497 -0.497 2 1 44 . 1 1 A 5 5 LEU N N 5 128.500 127.487 1.013 2 1 45 . 1 1 A 6 6 THR H H 6 8.750 8.908 -0.158 2 1 46 . 1 1 A 6 6 THR HA H 6 4.530 5.029 -0.499 2 1 51 . 1 1 A 6 6 THR C C 6 173.700 173.600 0.100 2 1 52 . 1 1 A 6 6 THR CA C 6 61.600 61.142 0.458 2 1 53 . 1 1 A 6 6 THR CB C 6 72.000 71.619 0.381 2 1 55 . 1 1 A 6 6 THR N N 6 121.000 121.070 -0.070 2 1 56 . 1 1 A 7 7 LYS H H 7 9.080 8.865 0.215 2 1 57 . 1 1 A 7 7 LYS HA H 7 4.430 4.512 -0.082 2 1 66 . 1 1 A 7 7 LYS C C 7 178.600 178.175 0.425 2 1 67 . 1 1 A 7 7 LYS CA C 7 54.300 54.677 -0.377 2 1 68 . 1 1 A 7 7 LYS CB C 7 32.300 33.960 -1.660 2 1 72 . 1 1 A 7 7 LYS N N 7 126.300 124.367 1.933 2 1 73 . 1 1 A 8 8 ILE H H 8 9.870 8.767 1.103 2 1 74 . 1 1 A 8 8 ILE HA H 8 3.240 3.751 -0.511 2 1 82 . 1 1 A 8 8 ILE C C 8 178.700 177.930 0.770 2 1 83 . 1 1 A 8 8 ILE CA C 8 66.800 65.145 1.655 2 1 84 . 1 1 A 8 8 ILE CB C 8 36.400 37.554 -1.154 2 1 87 . 1 1 A 8 8 ILE N N 8 124.700 122.909 1.792 2 1 88 . 1 1 A 9 9 VAL H H 9 8.340 8.027 0.313 2 1 89 . 1 1 A 9 9 VAL HA H 9 3.930 3.895 0.035 2 1 97 . 1 1 A 9 9 VAL C C 9 178.700 176.579 2.121 2 1 98 . 1 1 A 9 9 VAL CA C 9 63.300 64.265 -0.965 2 1 99 . 1 1 A 9 9 VAL CB C 9 31.700 31.538 0.162 2 1 102 . 1 1 A 9 9 VAL N N 9 119.500 120.530 -1.030 2 1 103 . 1 1 A 10 10 ASP H H 10 7.510 8.078 -0.568 2 1 104 . 1 1 A 10 10 ASP HA H 10 4.730 4.682 0.048 2 1 107 . 1 1 A 10 10 ASP C C 10 174.500 176.338 -1.838 2 1 108 . 1 1 A 10 10 ASP CA C 10 54.400 53.628 0.772 2 1 109 . 1 1 A 10 10 ASP CB C 10 41.100 41.172 -0.072 2 1 110 . 1 1 A 10 10 ASP N N 10 119.100 119.966 -0.866 2 1 111 . 1 1 A 11 11 ILE H H 11 7.460 7.537 -0.077 2 1 112 . 1 1 A 11 11 ILE HA H 11 3.800 3.959 -0.159 2 1 122 . 1 1 A 11 11 ILE C C 11 174.900 176.347 -1.447 2 1 123 . 1 1 A 11 11 ILE CA C 11 62.100 61.776 0.324 2 1 124 . 1 1 A 11 11 ILE CB C 11 35.300 37.779 -2.479 2 1 128 . 1 1 A 11 11 ILE N N 11 124.200 121.125 3.075 2 1 129 . 1 1 A 12 12 VAL H H 12 8.530 8.392 0.138 2 1 130 . 1 1 A 12 12 VAL HA H 12 4.260 3.947 0.313 2 1 138 . 1 1 A 12 12 VAL C C 12 174.900 174.899 0.001 2 1 139 . 1 1 A 12 12 VAL CA C 12 60.600 61.675 -1.075 2 1 140 . 1 1 A 12 12 VAL CB C 12 35.400 32.861 2.539 2 1 143 . 1 1 A 12 12 VAL N N 12 118.400 119.820 -1.420 2 1 144 . 1 1 A 13 13 GLU H H 13 7.430 7.467 -0.037 2 1 145 . 1 1 A 13 13 GLU HA H 13 4.590 4.872 -0.282 2 1 150 . 1 1 A 13 13 GLU C C 13 173.800 174.603 -0.803 2 1 151 . 1 1 A 13 13 GLU CA C 13 54.800 54.948 -0.148 2 1 152 . 1 1 A 13 13 GLU CB C 13 33.160 32.877 0.283 2 1 154 . 1 1 A 13 13 GLU N N 13 120.100 122.014 -1.914 2 1 155 . 1 1 A 14 14 ASN H H 14 8.800 8.779 0.021 2 1 156 . 1 1 A 14 14 ASN HA H 14 4.110 4.927 -0.817 2 1 161 . 1 1 A 14 14 ASN C C 14 176.600 175.906 0.694 2 1 162 . 1 1 A 14 14 ASN CA C 14 54.600 52.864 1.736 2 1 163 . 1 1 A 14 14 ASN CB C 14 38.900 39.464 -0.564 2 1 164 . 1 1 A 14 14 ASN N N 14 121.500 123.423 -1.923 2 1 166 . 1 1 A 15 15 GLY H H 15 8.620 9.122 -0.502 2 1 167 . 1 1 A 15 15 GLY HA2 H 15 3.460 3.708 -0.248 2 1 168 . 1 1 A 15 15 GLY HA3 H 15 4.110 3.805 0.305 2 1 169 . 1 1 A 15 15 GLY C C 15 173.100 173.524 -0.424 2 1 170 . 1 1 A 15 15 GLY CA C 15 45.300 45.720 -0.420 2 1 171 . 1 1 A 15 15 GLY N N 15 114.900 110.919 3.981 2 1 172 . 1 1 A 16 16 GLN H H 16 7.280 7.723 -0.443 2 1 173 . 1 1 A 16 16 GLN HA H 16 4.160 4.609 -0.449 2 1 180 . 1 1 A 16 16 GLN C C 16 174.400 174.781 -0.381 2 1 181 . 1 1 A 16 16 GLN CA C 16 56.300 54.583 1.717 2 1 182 . 1 1 A 16 16 GLN CB C 16 30.300 30.407 -0.107 2 1 184 . 1 1 A 16 16 GLN N N 16 121.500 119.492 2.008 2 1 186 . 1 1 A 17 17 TRP H H 17 8.640 8.910 -0.270 2 1 187 . 1 1 A 17 17 TRP HA H 17 5.400 5.467 -0.067 2 1 196 . 1 1 A 17 17 TRP C C 17 176.900 176.116 0.784 2 1 197 . 1 1 A 17 17 TRP CA C 17 56.400 56.377 0.023 2 1 198 . 1 1 A 17 17 TRP CB C 17 30.300 30.911 -0.611 2 1 204 . 1 1 A 17 17 TRP N N 17 125.500 125.010 0.490 2 1 206 . 1 1 A 18 18 ALA H H 18 9.020 8.715 0.305 2 1 207 . 1 1 A 18 18 ALA HA H 18 4.650 4.876 -0.226 2 1 211 . 1 1 A 18 18 ALA C C 18 174.100 175.180 -1.080 2 1 212 . 1 1 A 18 18 ALA CA C 18 51.430 51.313 0.117 2 1 213 . 1 1 A 18 18 ALA CB C 18 22.600 23.247 -0.647 2 1 214 . 1 1 A 18 18 ALA N N 18 124.000 122.955 1.045 2 1 215 . 1 1 A 19 19 ASN H H 19 8.250 8.315 -0.065 2 1 216 . 1 1 A 19 19 ASN HA H 19 5.710 5.690 0.020 2 1 221 . 1 1 A 19 19 ASN C C 19 173.500 174.025 -0.525 2 1 222 . 1 1 A 19 19 ASN CA C 19 51.600 52.035 -0.435 2 1 223 . 1 1 A 19 19 ASN CB C 19 40.100 42.224 -2.123 2 1 224 . 1 1 A 19 19 ASN N N 19 116.500 116.416 0.084 2 1 226 . 1 1 A 20 20 LEU H H 20 9.280 8.708 0.572 2 1 227 . 1 1 A 20 20 LEU HA H 20 4.930 5.050 -0.119 2 1 236 . 1 1 A 20 20 LEU C C 20 174.800 174.570 0.230 2 1 237 . 1 1 A 20 20 LEU CA C 20 54.200 53.804 0.396 2 1 238 . 1 1 A 20 20 LEU CB C 20 46.300 45.964 0.336 2 1 241 . 1 1 A 20 20 LEU N N 20 121.800 123.279 -1.479 2 1 242 . 1 1 A 21 21 LYS H H 21 8.550 8.822 -0.272 2 1 243 . 1 1 A 21 21 LYS HA H 21 5.450 5.282 0.168 2 1 252 . 1 1 A 21 21 LYS C C 21 174.800 175.164 -0.364 2 1 253 . 1 1 A 21 21 LYS CA C 21 55.350 54.865 0.485 2 1 254 . 1 1 A 21 21 LYS CB C 21 34.300 35.255 -0.955 2 1 258 . 1 1 A 21 21 LYS N N 21 122.500 124.591 -2.091 2 1 259 . 1 1 A 22 22 ALA H H 22 9.090 8.386 0.704 2 1 260 . 1 1 A 22 22 ALA HA H 22 4.830 4.820 0.010 2 1 264 . 1 1 A 22 22 ALA C C 22 173.800 175.218 -1.418 2 1 265 . 1 1 A 22 22 ALA CA C 22 51.300 51.081 0.219 2 1 266 . 1 1 A 22 22 ALA CB C 22 24.700 23.221 1.479 2 1 267 . 1 1 A 22 22 ALA N N 22 123.200 126.115 -2.915 2 1 268 . 1 1 A 23 23 LYS H H 23 9.190 8.269 0.921 2 1 269 . 1 1 A 23 23 LYS HA H 23 5.080 4.990 0.090 2 1 276 . 1 1 A 23 23 LYS C C 23 176.900 175.552 1.348 2 1 277 . 1 1 A 23 23 LYS CA C 23 54.100 54.765 -0.665 2 1 278 . 1 1 A 23 23 LYS CB C 23 35.800 34.791 1.009 2 1 281 . 1 1 A 23 23 LYS N N 23 121.100 119.285 1.815 2 1 282 . 1 1 A 24 24 VAL H H 24 8.620 8.625 -0.005 2 1 283 . 1 1 A 24 24 VAL HA H 24 4.110 4.257 -0.147 2 1 291 . 1 1 A 24 24 VAL C C 24 175.800 176.139 -0.339 2 1 292 . 1 1 A 24 24 VAL CA C 24 62.750 62.887 -0.137 2 1 293 . 1 1 A 24 24 VAL CB C 24 30.500 31.275 -0.775 2 1 296 . 1 1 A 24 24 VAL N N 24 125.600 125.022 0.578 2 1 297 . 1 1 A 25 25 ILE H H 25 8.430 8.572 -0.142 2 1 298 . 1 1 A 25 25 ILE HA H 25 4.210 4.174 0.036 2 1 308 . 1 1 A 25 25 ILE C C 25 176.700 175.996 0.704 2 1 309 . 1 1 A 25 25 ILE CA C 25 62.100 62.560 -0.460 2 1 310 . 1 1 A 25 25 ILE CB C 25 38.300 38.651 -0.351 2 1 314 . 1 1 A 25 25 ILE N N 25 127.400 126.820 0.580 2 1 315 . 1 1 A 26 26 GLN H H 26 7.590 7.630 -0.040 2 1 316 . 1 1 A 26 26 GLN HA H 26 4.560 4.769 -0.209 2 1 323 . 1 1 A 26 26 GLN C C 26 173.700 173.725 -0.025 2 1 324 . 1 1 A 26 26 GLN CA C 26 55.400 55.266 0.135 2 1 325 . 1 1 A 26 26 GLN CB C 26 34.100 32.231 1.869 2 1 327 . 1 1 A 26 26 GLN N N 26 117.100 119.513 -2.413 2 1 329 . 1 1 A 27 27 LEU H H 27 8.470 8.749 -0.279 2 1 330 . 1 1 A 27 27 LEU HA H 27 4.710 5.275 -0.565 2 1 340 . 1 1 A 27 27 LEU C C 27 176.200 175.296 0.904 2 1 341 . 1 1 A 27 27 LEU CA C 27 54.100 53.375 0.725 2 1 342 . 1 1 A 27 27 LEU CB C 27 44.000 46.023 -2.023 2 1 346 . 1 1 A 27 27 LEU N N 27 123.600 123.369 0.231 2 1 347 . 1 1 A 28 28 TRP H H 28 8.850 8.687 0.163 2 1 348 . 1 1 A 28 28 TRP HA H 28 5.180 5.135 0.045 2 1 357 . 1 1 A 28 28 TRP C C 28 175.900 175.038 0.862 2 1 358 . 1 1 A 28 28 TRP CA C 28 53.300 56.132 -2.832 2 1 359 . 1 1 A 28 28 TRP CB C 28 31.400 32.406 -1.006 2 1 365 . 1 1 A 28 28 TRP N N 28 123.900 123.944 -0.044 2 1 367 . 1 1 A 29 29 GLU H H 29 8.620 8.577 0.043 2 1 368 . 1 1 A 29 29 GLU HA H 29 4.250 4.489 -0.239 2 1 373 . 1 1 A 29 29 GLU C C 29 175.700 175.696 0.004 2 1 374 . 1 1 A 29 29 GLU CA C 29 56.800 56.476 0.324 2 1 375 . 1 1 A 29 29 GLU CB C 29 30.000 30.279 -0.279 2 1 377 . 1 1 A 29 29 GLU N N 29 120.700 126.059 -5.359 2 1 378 . 1 1 A 30 30 ASN H H 30 8.720 8.264 0.457 2 1 379 . 1 1 A 30 30 ASN HA H 30 4.870 5.133 -0.263 2 1 384 . 1 1 A 30 30 ASN C C 30 174.800 175.243 -0.443 2 1 385 . 1 1 A 30 30 ASN CA C 30 53.800 52.240 1.560 2 1 386 . 1 1 A 30 30 ASN CB C 30 41.200 40.991 0.209 2 1 387 . 1 1 A 30 30 ASN N N 30 121.400 123.035 -1.635 2 1 389 . 1 1 A 31 31 THR H H 31 8.300 8.494 -0.194 2 1 390 . 1 1 A 31 31 THR HA H 31 4.430 4.583 -0.153 2 1 395 . 1 1 A 31 31 THR C C 31 174.200 174.745 -0.545 2 1 396 . 1 1 A 31 31 THR CA C 31 61.000 61.476 -0.476 2 1 397 . 1 1 A 31 31 THR CB C 31 69.600 69.209 0.391 2 1 399 . 1 1 A 31 31 THR N N 31 114.200 116.166 -1.966 2 1 400 . 1 1 A 32 32 HIS H H 32 7.840 7.877 -0.037 2 1 401 . 1 1 A 32 32 HIS HA H 32 4.560 4.542 0.019 2 1 405 . 1 1 A 32 32 HIS C C 32 177.300 175.474 1.826 2 1 406 . 1 1 A 32 32 HIS CA C 32 57.600 57.137 0.463 2 1 407 . 1 1 A 32 32 HIS CB C 32 32.000 30.423 1.577 2 1 409 . 1 1 A 32 32 HIS N N 32 122.500 121.355 1.145 2 1 410 . 1 1 A 33 33 GLU H H 33 9.020 8.484 0.536 2 1 411 . 1 1 A 33 33 GLU HA H 33 4.120 4.104 0.016 2 1 416 . 1 1 A 33 33 GLU C C 33 177.100 177.300 -0.200 2 1 417 . 1 1 A 33 33 GLU CA C 33 59.000 58.362 0.638 2 1 418 . 1 1 A 33 33 GLU CB C 33 29.400 29.398 0.002 2 1 420 . 1 1 A 33 33 GLU N N 33 127.300 120.373 6.927 2 1 421 . 1 1 A 34 34 SER H H 34 9.430 8.532 0.898 2 1 422 . 1 1 A 34 34 SER HA H 34 4.580 4.538 0.042 2 1 425 . 1 1 A 34 34 SER C C 34 174.800 174.125 0.675 2 1 426 . 1 1 A 34 34 SER CA C 34 59.500 60.487 -0.987 2 1 427 . 1 1 A 34 34 SER CB C 34 63.600 63.393 0.207 2 1 428 . 1 1 A 34 34 SER N N 34 113.400 114.338 -0.938 2 1 429 . 1 1 A 35 35 ILE H H 35 7.920 8.042 -0.122 2 1 430 . 1 1 A 35 35 ILE HA H 35 4.080 4.160 -0.080 2 1 440 . 1 1 A 35 35 ILE C C 35 174.300 175.723 -1.423 2 1 441 . 1 1 A 35 35 ILE CA C 35 61.600 60.578 1.022 2 1 442 . 1 1 A 35 35 ILE CB C 35 40.700 39.008 1.693 2 1 446 . 1 1 A 35 35 ILE N N 35 125.800 121.112 4.688 2 1 447 . 1 1 A 36 36 SER H H 36 9.010 8.804 0.206 2 1 448 . 1 1 A 36 36 SER HA H 36 4.480 4.494 -0.014 2 1 451 . 1 1 A 36 36 SER C C 36 174.900 173.963 0.937 2 1 452 . 1 1 A 36 36 SER CA C 36 58.800 59.908 -1.108 2 1 453 . 1 1 A 36 36 SER CB C 36 64.300 63.599 0.700 2 1 454 . 1 1 A 36 36 SER N N 36 119.100 121.423 -2.323 2 1 455 . 1 1 A 37 37 GLN H H 37 7.390 7.249 0.141 2 1 456 . 1 1 A 37 37 GLN HA H 37 4.690 4.715 -0.025 2 1 463 . 1 1 A 37 37 GLN C C 37 171.800 173.411 -1.611 2 1 464 . 1 1 A 37 37 GLN CA C 37 54.900 55.003 -0.103 2 1 465 . 1 1 A 37 37 GLN CB C 37 36.200 32.214 3.986 2 1 466 . 1 1 A 37 37 GLN N N 37 116.500 117.382 -0.882 2 1 468 . 1 1 A 38 38 VAL H H 38 8.640 8.504 0.136 2 1 469 . 1 1 A 38 38 VAL HA H 38 4.160 4.553 -0.393 2 1 477 . 1 1 A 38 38 VAL C C 38 172.400 174.654 -2.254 2 1 478 . 1 1 A 38 38 VAL CA C 38 58.500 59.650 -1.150 2 1 479 . 1 1 A 38 38 VAL CB C 38 35.300 35.484 -0.184 2 1 482 . 1 1 A 38 38 VAL N N 38 120.400 120.648 -0.248 2 1 483 . 1 1 A 39 39 GLY H H 39 6.440 7.313 -0.873 2 1 484 . 1 1 A 39 39 GLY HA2 H 39 3.690 4.279 -0.589 2 1 485 . 1 1 A 39 39 GLY HA3 H 39 1.940 4.346 -2.405 2 1 486 . 1 1 A 39 39 GLY C C 39 170.600 171.731 -1.131 2 1 487 . 1 1 A 39 39 GLY CA C 39 45.300 45.967 -0.667 2 1 488 . 1 1 A 39 39 GLY N N 39 109.600 110.811 -1.211 2 1 489 . 1 1 A 40 40 LEU H H 40 8.380 8.456 -0.076 2 1 490 . 1 1 A 40 40 LEU HA H 40 4.980 5.381 -0.401 2 1 499 . 1 1 A 40 40 LEU C C 40 176.000 175.606 0.394 2 1 500 . 1 1 A 40 40 LEU CA C 40 53.200 53.429 -0.229 2 1 501 . 1 1 A 40 40 LEU CB C 40 47.400 45.768 1.632 2 1 504 . 1 1 A 40 40 LEU N N 40 119.500 121.791 -2.291 2 1 505 . 1 1 A 41 41 LEU H H 41 9.410 9.149 0.261 2 1 506 . 1 1 A 41 41 LEU HA H 41 5.320 5.183 0.138 2 1 516 . 1 1 A 41 41 LEU C C 41 176.700 175.694 1.006 2 1 517 . 1 1 A 41 41 LEU CA C 41 52.400 52.969 -0.569 2 1 518 . 1 1 A 41 41 LEU CB C 41 44.900 44.055 0.845 2 1 522 . 1 1 A 41 41 LEU N N 41 122.700 123.187 -0.487 2 1 523 . 1 1 A 42 42 GLY H H 42 9.210 9.811 -0.601 2 1 524 . 1 1 A 42 42 GLY HA2 H 42 3.550 4.092 -0.542 2 1 525 . 1 1 A 42 42 GLY HA3 H 42 5.350 4.095 1.255 2 1 526 . 1 1 A 42 42 GLY C C 42 171.200 172.329 -1.129 2 1 527 . 1 1 A 42 42 GLY CA C 42 45.700 45.421 0.279 2 1 528 . 1 1 A 42 42 GLY N N 42 104.600 112.358 -7.758 2 1 529 . 1 1 A 43 43 ASP H H 43 8.960 8.730 0.230 2 1 530 . 1 1 A 43 43 ASP HA H 43 4.640 5.000 -0.360 2 1 533 . 1 1 A 43 43 ASP C C 43 175.600 176.801 -1.201 2 1 534 . 1 1 A 43 43 ASP CA C 43 52.700 52.895 -0.195 2 1 535 . 1 1 A 43 43 ASP CB C 43 41.600 42.929 -1.329 2 1 536 . 1 1 A 43 43 ASP N N 43 121.900 125.788 -3.888 2 1 537 . 1 1 A 44 44 GLU H H 44 10.150 8.931 1.219 2 1 538 . 1 1 A 44 44 GLU HA H 44 4.380 4.108 0.272 2 1 543 . 1 1 A 44 44 GLU C C 44 176.900 177.389 -0.489 2 1 544 . 1 1 A 44 44 GLU CA C 44 59.300 58.732 0.568 2 1 545 . 1 1 A 44 44 GLU CB C 44 28.100 29.525 -1.425 2 1 547 . 1 1 A 44 44 GLU N N 44 118.000 123.056 -5.056 2 1 548 . 1 1 A 45 45 THR H H 45 9.600 7.729 1.871 2 1 549 . 1 1 A 45 45 THR HA H 45 4.580 4.481 0.099 2 1 554 . 1 1 A 45 45 THR C C 45 174.800 173.902 0.898 2 1 555 . 1 1 A 45 45 THR CA C 45 61.700 62.306 -0.606 2 1 556 . 1 1 A 45 45 THR CB C 45 70.000 69.492 0.508 2 1 558 . 1 1 A 45 45 THR N N 45 112.000 109.086 2.914 2 1 559 . 1 1 A 46 46 GLY H H 46 7.640 7.366 0.274 2 1 560 . 1 1 A 46 46 GLY HA2 H 46 3.830 4.121 -0.291 2 1 561 . 1 1 A 46 46 GLY HA3 H 46 4.000 4.123 -0.123 2 1 562 . 1 1 A 46 46 GLY C C 46 169.400 171.504 -2.104 2 1 563 . 1 1 A 46 46 GLY CA C 46 46.000 45.278 0.722 2 1 564 . 1 1 A 46 46 GLY N N 46 110.600 107.852 2.748 2 1 565 . 1 1 A 47 47 ILE H H 47 8.000 8.460 -0.460 2 1 566 . 1 1 A 47 47 ILE HA H 47 5.450 5.329 0.121 2 1 576 . 1 1 A 47 47 ILE C C 47 175.200 174.183 1.017 2 1 577 . 1 1 A 47 47 ILE CA C 47 59.100 58.785 0.315 2 1 578 . 1 1 A 47 47 ILE CB C 47 42.400 42.447 -0.047 2 1 582 . 1 1 A 47 47 ILE N N 47 113.900 119.252 -5.352 2 1 583 . 1 1 A 48 48 ILE H H 48 9.340 8.407 0.933 2 1 584 . 1 1 A 48 48 ILE HA H 48 4.640 4.811 -0.171 2 1 594 . 1 1 A 48 48 ILE C C 48 171.500 173.785 -2.285 2 1 595 . 1 1 A 48 48 ILE CA C 48 60.600 59.247 1.353 2 1 596 . 1 1 A 48 48 ILE CB C 48 42.000 41.695 0.305 2 1 600 . 1 1 A 48 48 ILE N N 48 123.600 122.489 1.111 2 1 601 . 1 1 A 49 49 LYS H H 49 8.350 8.568 -0.218 2 1 602 . 1 1 A 49 49 LYS HA H 49 4.820 4.912 -0.092 2 1 611 . 1 1 A 49 49 LYS C C 49 174.700 176.136 -1.436 2 1 612 . 1 1 A 49 49 LYS CA C 49 56.400 55.727 0.673 2 1 613 . 1 1 A 49 49 LYS CB C 49 33.800 34.297 -0.497 2 1 617 . 1 1 A 49 49 LYS N N 49 129.100 127.552 1.548 2 1 618 . 1 1 A 50 50 PHE H H 50 8.570 8.478 0.092 2 1 619 . 1 1 A 50 50 PHE HA H 50 5.820 5.554 0.266 2 1 627 . 1 1 A 50 50 PHE C C 50 172.100 172.764 -0.664 2 1 628 . 1 1 A 50 50 PHE CA C 50 54.800 55.930 -1.130 2 1 629 . 1 1 A 50 50 PHE CB C 50 43.900 42.145 1.755 2 1 635 . 1 1 A 50 50 PHE N N 50 122.700 118.949 3.751 2 1 636 . 1 1 A 51 51 THR H H 51 8.190 8.597 -0.407 2 1 637 . 1 1 A 51 51 THR HA H 51 4.320 4.743 -0.423 2 1 642 . 1 1 A 51 51 THR C C 51 172.900 172.774 0.126 2 1 643 . 1 1 A 51 51 THR CA C 51 61.700 60.527 1.173 2 1 644 . 1 1 A 51 51 THR CB C 51 72.500 71.307 1.193 2 1 646 . 1 1 A 51 51 THR N N 51 114.400 114.212 0.188 2 1 647 . 1 1 A 52 52 ILE H H 52 8.880 8.926 -0.046 2 1 648 . 1 1 A 52 52 ILE HA H 52 4.650 4.636 0.014 2 1 658 . 1 1 A 52 52 ILE C C 52 176.000 175.131 0.869 2 1 659 . 1 1 A 52 52 ILE CA C 52 60.500 60.223 0.277 2 1 660 . 1 1 A 52 52 ILE CB C 52 38.900 39.540 -0.640 2 1 664 . 1 1 A 52 52 ILE N N 52 123.400 127.042 -3.642 2 1 665 . 1 1 A 53 53 TRP H H 53 8.020 8.619 -0.599 2 1 666 . 1 1 A 53 53 TRP HA H 53 4.740 4.840 -0.100 2 1 675 . 1 1 A 53 53 TRP C C 53 177.500 177.438 0.062 2 1 676 . 1 1 A 53 53 TRP CA C 53 57.700 57.291 0.409 2 1 677 . 1 1 A 53 53 TRP CB C 53 30.400 30.454 -0.054 2 1 683 . 1 1 A 53 53 TRP N N 53 129.500 128.607 0.893 2 1 685 . 1 1 A 54 54 LYS H H 54 8.980 8.959 0.021 2 1 686 . 1 1 A 54 54 LYS HA H 54 4.100 4.054 0.046 2 1 695 . 1 1 A 54 54 LYS C C 54 177.700 178.384 -0.684 2 1 696 . 1 1 A 54 54 LYS CA C 54 59.400 59.881 -0.481 2 1 697 . 1 1 A 54 54 LYS CB C 54 32.400 32.225 0.175 2 1 701 . 1 1 A 54 54 LYS N N 54 125.500 124.550 0.950 2 1 702 . 1 1 A 55 55 ASN H H 55 8.600 8.493 0.107 2 1 703 . 1 1 A 55 55 ASN HA H 55 4.510 4.611 -0.101 2 1 708 . 1 1 A 55 55 ASN C C 55 175.300 176.779 -1.479 2 1 709 . 1 1 A 55 55 ASN CA C 55 53.700 55.199 -1.499 2 1 710 . 1 1 A 55 55 ASN CB C 55 37.100 38.022 -0.922 2 1 711 . 1 1 A 55 55 ASN N N 55 115.400 117.091 -1.691 2 1 713 . 1 1 A 56 56 ALA H H 56 7.630 7.918 -0.288 2 1 714 . 1 1 A 56 56 ALA HA H 56 3.970 4.390 -0.420 2 1 718 . 1 1 A 56 56 ALA C C 56 176.100 176.999 -0.899 2 1 719 . 1 1 A 56 56 ALA CA C 56 53.500 52.883 0.617 2 1 720 . 1 1 A 56 56 ALA CB C 56 18.400 19.690 -1.290 2 1 721 . 1 1 A 56 56 ALA N N 56 121.200 121.036 0.164 2 1 722 . 1 1 A 57 57 GLU H H 57 7.880 8.087 -0.207 2 1 723 . 1 1 A 57 57 GLU HA H 57 3.940 3.888 0.052 2 1 728 . 1 1 A 57 57 GLU C C 57 175.400 175.074 0.326 2 1 729 . 1 1 A 57 57 GLU CA C 57 56.700 57.341 -0.641 2 1 730 . 1 1 A 57 57 GLU CB C 57 27.300 27.363 -0.062 2 1 732 . 1 1 A 57 57 GLU N N 57 112.500 115.047 -2.547 2 1 733 . 1 1 A 58 58 LEU H H 58 7.910 7.859 0.051 2 1 734 . 1 1 A 58 58 LEU HA H 58 4.740 4.769 -0.029 2 1 744 . 1 1 A 58 58 LEU C C 58 175.400 174.511 0.889 2 1 745 . 1 1 A 58 58 LEU CA C 58 52.300 51.988 0.312 2 1 746 . 1 1 A 58 58 LEU CB C 58 42.900 42.620 0.280 2 1 750 . 1 1 A 58 58 LEU N N 58 120.000 120.513 -0.513 2 1 751 . 1 1 A 59 59 PRO HA H 59 4.380 4.519 -0.139 2 1 758 . 1 1 A 59 59 PRO CA C 59 62.200 62.759 -0.559 2 1 759 . 1 1 A 59 59 PRO CB C 59 32.000 32.027 -0.027 2 1 762 . 1 1 A 60 60 LEU H H 60 7.860 8.267 -0.407 2 1 763 . 1 1 A 60 60 LEU HA H 60 3.920 4.420 -0.500 2 1 773 . 1 1 A 60 60 LEU C C 60 178.300 177.206 1.094 2 1 774 . 1 1 A 60 60 LEU CA C 60 55.000 54.764 0.236 2 1 775 . 1 1 A 60 60 LEU CB C 60 41.800 42.510 -0.710 2 1 779 . 1 1 A 60 60 LEU N N 60 117.500 123.593 -6.093 2 1 780 . 1 1 A 61 61 LEU H H 61 9.680 8.293 1.387 2 1 781 . 1 1 A 61 61 LEU HA H 61 4.040 4.048 -0.008 2 1 791 . 1 1 A 61 61 LEU C C 61 177.300 176.659 0.642 2 1 792 . 1 1 A 61 61 LEU CA C 61 54.100 54.174 -0.074 2 1 793 . 1 1 A 61 61 LEU CB C 61 41.300 42.130 -0.831 2 1 797 . 1 1 A 61 61 LEU N N 61 122.300 124.432 -2.132 2 1 798 . 1 1 A 62 62 GLU H H 62 8.390 9.233 -0.843 2 1 799 . 1 1 A 62 62 GLU HA H 62 4.430 4.773 -0.343 2 1 804 . 1 1 A 62 62 GLU C C 62 175.600 176.413 -0.813 2 1 805 . 1 1 A 62 62 GLU CA C 62 54.800 54.983 -0.183 2 1 806 . 1 1 A 62 62 GLU CB C 62 32.200 31.747 0.453 2 1 808 . 1 1 A 62 62 GLU N N 62 120.500 122.725 -2.225 2 1 809 . 1 1 A 63 63 GLN H H 63 8.780 8.759 0.021 2 1 810 . 1 1 A 63 63 GLN HA H 63 3.700 4.059 -0.359 2 1 817 . 1 1 A 63 63 GLN C C 63 176.600 176.808 -0.208 2 1 818 . 1 1 A 63 63 GLN CA C 63 58.100 57.614 0.486 2 1 819 . 1 1 A 63 63 GLN CB C 63 28.300 28.528 -0.228 2 1 821 . 1 1 A 63 63 GLN N N 63 123.300 124.423 -1.123 2 1 823 . 1 1 A 64 64 GLY H H 64 9.140 8.857 0.283 2 1 824 . 1 1 A 64 64 GLY HA2 H 64 3.580 3.992 -0.412 2 1 825 . 1 1 A 64 64 GLY HA3 H 64 4.390 3.996 0.394 2 1 826 . 1 1 A 64 64 GLY C C 64 173.900 174.021 -0.121 2 1 827 . 1 1 A 64 64 GLY CA C 64 45.300 45.071 0.229 2 1 828 . 1 1 A 64 64 GLY N N 64 115.100 114.075 1.025 2 1 829 . 1 1 A 65 65 GLU H H 65 7.590 7.636 -0.046 2 1 830 . 1 1 A 65 65 GLU HA H 65 4.490 4.595 -0.105 2 1 835 . 1 1 A 65 65 GLU C C 65 174.200 175.921 -1.721 2 1 836 . 1 1 A 65 65 GLU CA C 65 54.900 54.865 0.035 2 1 837 . 1 1 A 65 65 GLU CB C 65 30.500 31.273 -0.773 2 1 839 . 1 1 A 65 65 GLU N N 65 120.300 120.880 -0.580 2 1 840 . 1 1 A 66 66 SER H H 66 8.700 8.356 0.344 2 1 841 . 1 1 A 66 66 SER HA H 66 5.330 4.971 0.358 2 1 844 . 1 1 A 66 66 SER C C 66 174.100 173.120 0.980 2 1 845 . 1 1 A 66 66 SER CA C 66 58.300 57.409 0.891 2 1 846 . 1 1 A 66 66 SER CB C 66 65.500 64.624 0.876 2 1 847 . 1 1 A 66 66 SER N N 66 116.500 116.971 -0.471 2 1 848 . 1 1 A 67 67 TYR H H 67 9.090 8.859 0.231 2 1 849 . 1 1 A 67 67 TYR HA H 67 5.110 5.043 0.067 2 1 856 . 1 1 A 67 67 TYR C C 67 173.900 174.361 -0.461 2 1 857 . 1 1 A 67 67 TYR CA C 67 57.500 56.255 1.245 2 1 858 . 1 1 A 67 67 TYR CB C 67 43.900 42.979 0.921 2 1 863 . 1 1 A 67 67 TYR N N 67 119.000 121.195 -2.195 2 1 864 . 1 1 A 68 68 LEU H H 68 9.230 9.031 0.199 2 1 865 . 1 1 A 68 68 LEU HA H 68 5.000 5.130 -0.130 2 1 875 . 1 1 A 68 68 LEU C C 68 175.300 174.501 0.799 2 1 876 . 1 1 A 68 68 LEU CA C 68 54.300 53.840 0.460 2 1 877 . 1 1 A 68 68 LEU CB C 68 43.800 45.056 -1.256 2 1 881 . 1 1 A 68 68 LEU N N 68 121.800 124.547 -2.747 2 1 882 . 1 1 A 69 69 LEU H H 69 9.460 9.060 0.400 2 1 883 . 1 1 A 69 69 LEU HA H 69 5.010 5.040 -0.030 2 1 893 . 1 1 A 69 69 LEU C C 69 175.000 175.635 -0.635 2 1 894 . 1 1 A 69 69 LEU CA C 69 54.100 53.662 0.438 2 1 895 . 1 1 A 69 69 LEU CB C 69 42.300 43.040 -0.740 2 1 899 . 1 1 A 69 69 LEU N N 69 128.500 128.323 0.177 2 1 900 . 1 1 A 70 70 ARG H H 70 8.910 8.520 0.390 2 1 901 . 1 1 A 70 70 ARG HA H 70 4.850 4.924 -0.074 2 1 909 . 1 1 A 70 70 ARG C C 70 176.400 176.371 0.029 2 1 910 . 1 1 A 70 70 ARG CA C 70 54.900 54.617 0.283 2 1 911 . 1 1 A 70 70 ARG CB C 70 32.300 32.939 -0.639 2 1 914 . 1 1 A 70 70 ARG N N 70 121.500 124.188 -2.688 2 1 916 . 1 1 A 71 71 SER H H 71 8.800 9.069 -0.269 2 1 917 . 1 1 A 71 71 SER HA H 71 3.870 4.207 -0.337 2 1 920 . 1 1 A 71 71 SER C C 71 175.800 173.527 2.273 2 1 921 . 1 1 A 71 71 SER CA C 71 58.600 59.145 -0.545 2 1 922 . 1 1 A 71 71 SER CB C 71 62.000 61.489 0.511 2 1 923 . 1 1 A 71 71 SER N N 71 114.400 116.808 -2.408 2 1 924 . 1 1 A 72 72 VAL H H 72 8.750 7.555 1.195 2 1 925 . 1 1 A 72 72 VAL HA H 72 4.610 5.048 -0.437 2 1 933 . 1 1 A 72 72 VAL C C 72 173.300 174.018 -0.718 2 1 934 . 1 1 A 72 72 VAL CA C 72 59.300 59.603 -0.303 2 1 935 . 1 1 A 72 72 VAL CB C 72 31.900 34.676 -2.776 2 1 938 . 1 1 A 72 72 VAL N N 72 115.500 116.011 -0.511 2 1 939 . 1 1 A 73 73 VAL H H 73 7.940 8.435 -0.495 2 1 940 . 1 1 A 73 73 VAL HA H 73 4.760 4.688 0.072 2 1 948 . 1 1 A 73 73 VAL C C 73 174.300 173.595 0.704 2 1 949 . 1 1 A 73 73 VAL CA C 73 58.800 59.253 -0.453 2 1 950 . 1 1 A 73 73 VAL CB C 73 34.500 34.811 -0.311 2 1 953 . 1 1 A 73 73 VAL N N 73 118.200 121.270 -3.070 2 1 954 . 1 1 A 74 74 VAL H H 74 8.430 8.126 0.304 2 1 955 . 1 1 A 74 74 VAL HA H 74 4.560 4.633 -0.073 2 1 963 . 1 1 A 74 74 VAL C C 74 177.300 175.667 1.633 2 1 964 . 1 1 A 74 74 VAL CA C 74 62.100 60.892 1.208 2 1 965 . 1 1 A 74 74 VAL CB C 74 32.700 32.793 -0.093 2 1 968 . 1 1 A 74 74 VAL N N 74 127.800 126.482 1.318 2 1 969 . 1 1 A 75 75 GLY H H 75 9.040 9.269 -0.229 2 1 970 . 1 1 A 75 75 GLY HA2 H 75 3.750 4.292 -0.542 2 1 971 . 1 1 A 75 75 GLY HA3 H 75 5.120 4.326 0.794 2 1 972 . 1 1 A 75 75 GLY C C 75 172.500 172.038 0.462 2 1 973 . 1 1 A 75 75 GLY CA C 75 43.700 44.033 -0.333 2 1 974 . 1 1 A 75 75 GLY N N 75 116.000 115.349 0.651 2 1 975 . 1 1 A 76 76 GLU H H 76 8.380 8.618 -0.238 2 1 976 . 1 1 A 76 76 GLU HA H 76 4.690 4.633 0.057 2 1 981 . 1 1 A 76 76 GLU C C 76 176.000 174.727 1.273 2 1 982 . 1 1 A 76 76 GLU CA C 76 56.100 55.416 0.684 2 1 983 . 1 1 A 76 76 GLU CB C 76 32.000 30.514 1.486 2 1 985 . 1 1 A 76 76 GLU N N 76 120.200 122.010 -1.810 2 1 986 . 1 1 A 77 77 TYR H H 77 8.430 8.657 -0.227 2 1 987 . 1 1 A 77 77 TYR HA H 77 4.570 4.904 -0.334 2 1 994 . 1 1 A 77 77 TYR C C 77 174.200 175.235 -1.035 2 1 995 . 1 1 A 77 77 TYR CA C 77 56.500 57.223 -0.723 2 1 996 . 1 1 A 77 77 TYR CB C 77 39.800 40.134 -0.334 2 1 1001 . 1 1 A 77 77 TYR N N 77 124.400 128.943 -4.543 2 1 1002 . 1 1 A 78 78 ASN H H 78 9.100 8.825 0.276 2 1 1003 . 1 1 A 78 78 ASN HA H 78 4.000 4.239 -0.239 2 1 1008 . 1 1 A 78 78 ASN C C 78 177.300 174.844 2.456 2 1 1009 . 1 1 A 78 78 ASN CA C 78 54.700 54.745 -0.045 2 1 1010 . 1 1 A 78 78 ASN CB C 78 36.600 37.097 -0.497 2 1 1011 . 1 1 A 78 78 ASN N N 78 125.800 125.418 0.382 2 1 1013 . 1 1 A 79 79 ASP H H 79 8.640 8.510 0.130 2 1 1014 . 1 1 A 79 79 ASP HA H 79 4.240 4.433 -0.193 2 1 1017 . 1 1 A 79 79 ASP C C 79 174.600 175.445 -0.845 2 1 1018 . 1 1 A 79 79 ASP CA C 79 54.900 54.919 -0.019 2 1 1019 . 1 1 A 79 79 ASP CB C 79 39.700 41.224 -1.524 2 1 1020 . 1 1 A 79 79 ASP N N 79 115.700 121.613 -5.913 2 1 1021 . 1 1 A 80 80 ARG H H 80 7.880 7.608 0.272 2 1 1022 . 1 1 A 80 80 ARG HA H 80 4.370 4.663 -0.293 2 1 1030 . 1 1 A 80 80 ARG C C 80 175.000 175.241 -0.241 2 1 1031 . 1 1 A 80 80 ARG CA C 80 54.200 54.607 -0.407 2 1 1032 . 1 1 A 80 80 ARG CB C 80 31.800 32.266 -0.466 2 1 1035 . 1 1 A 80 80 ARG N N 80 119.700 119.173 0.527 2 1 1037 . 1 1 A 81 81 PHE H H 81 8.410 8.877 -0.467 2 1 1038 . 1 1 A 81 81 PHE HA H 81 5.420 5.080 0.340 2 1 1046 . 1 1 A 81 81 PHE C C 81 174.400 175.209 -0.809 2 1 1047 . 1 1 A 81 81 PHE CA C 81 57.200 57.510 -0.309 2 1 1048 . 1 1 A 81 81 PHE CB C 81 42.000 41.408 0.592 2 1 1054 . 1 1 A 81 81 PHE N N 81 120.700 120.977 -0.277 2 1 1055 . 1 1 A 82 82 GLN H H 82 8.950 8.828 0.122 2 1 1056 . 1 1 A 82 82 GLN HA H 82 5.110 4.970 0.140 2 1 1063 . 1 1 A 82 82 GLN C C 82 172.400 173.997 -1.597 2 1 1064 . 1 1 A 82 82 GLN CA C 82 53.500 54.540 -1.040 2 1 1065 . 1 1 A 82 82 GLN CB C 82 31.900 33.000 -1.100 2 1 1067 . 1 1 A 82 82 GLN N N 82 115.000 119.838 -4.838 2 1 1069 . 1 1 A 83 83 VAL H H 83 9.090 8.447 0.643 2 1 1070 . 1 1 A 83 83 VAL HA H 83 4.380 4.783 -0.403 2 1 1078 . 1 1 A 83 83 VAL C C 83 174.600 174.902 -0.302 2 1 1079 . 1 1 A 83 83 VAL CA C 83 61.600 61.403 0.197 2 1 1080 . 1 1 A 83 83 VAL CB C 83 33.500 33.177 0.323 2 1 1083 . 1 1 A 83 83 VAL N N 83 118.900 121.979 -3.079 2 1 1084 . 1 1 A 84 84 GLN H H 84 9.280 8.777 0.503 2 1 1085 . 1 1 A 84 84 GLN HA H 84 5.020 4.942 0.078 2 1 1092 . 1 1 A 84 84 GLN C C 84 174.500 174.699 -0.199 2 1 1093 . 1 1 A 84 84 GLN CA C 84 54.400 54.939 -0.539 2 1 1094 . 1 1 A 84 84 GLN CB C 84 29.900 30.607 -0.707 2 1 1096 . 1 1 A 84 84 GLN N N 84 124.800 126.832 -2.032 2 1 1098 . 1 1 A 85 85 VAL H H 85 8.680 8.828 -0.148 2 1 1099 . 1 1 A 85 85 VAL HA H 85 4.300 4.833 -0.533 2 1 1107 . 1 1 A 85 85 VAL C C 85 174.500 175.241 -0.741 2 1 1108 . 1 1 A 85 85 VAL CA C 85 61.700 61.429 0.271 2 1 1109 . 1 1 A 85 85 VAL CB C 85 31.700 33.019 -1.319 2 1 1112 . 1 1 A 85 85 VAL N N 85 125.500 125.418 0.082 2 1 1113 . 1 1 A 86 86 ASN H H 86 8.740 8.755 -0.015 2 1 1114 . 1 1 A 86 86 ASN HA H 86 5.240 5.323 -0.083 2 1 1119 . 1 1 A 86 86 ASN C C 86 175.300 175.446 -0.146 2 1 1120 . 1 1 A 86 86 ASN CA C 86 51.800 51.500 0.300 2 1 1121 . 1 1 A 86 86 ASN CB C 86 42.400 41.163 1.237 2 1 1122 . 1 1 A 86 86 ASN N N 86 124.000 124.805 -0.805 2 1 1124 . 1 1 A 87 87 LYS H H 87 8.530 8.759 -0.229 2 1 1125 . 1 1 A 87 87 LYS HA H 87 4.210 4.028 0.182 2 1 1134 . 1 1 A 87 87 LYS C C 87 176.700 177.792 -1.092 2 1 1135 . 1 1 A 87 87 LYS CA C 87 59.000 58.858 0.142 2 1 1136 . 1 1 A 87 87 LYS CB C 87 32.400 32.314 0.086 2 1 1140 . 1 1 A 87 87 LYS N N 87 117.600 120.458 -2.858 2 1 1141 . 1 1 A 88 88 ASN H H 88 8.600 8.443 0.158 2 1 1142 . 1 1 A 88 88 ASN HA H 88 4.810 4.647 0.163 2 1 1147 . 1 1 A 88 88 ASN C C 88 175.600 175.428 0.172 2 1 1148 . 1 1 A 88 88 ASN CA C 88 54.100 54.946 -0.846 2 1 1149 . 1 1 A 88 88 ASN CB C 88 39.100 38.284 0.816 2 1 1150 . 1 1 A 88 88 ASN N N 88 115.500 118.926 -3.426 2 1 1152 . 1 1 A 89 89 SER H H 89 8.150 7.822 0.328 2 1 1153 . 1 1 A 89 89 SER HA H 89 5.120 4.816 0.304 2 1 1156 . 1 1 A 89 89 SER C C 89 172.400 173.714 -1.314 2 1 1157 . 1 1 A 89 89 SER CA C 89 58.100 58.369 -0.269 2 1 1158 . 1 1 A 89 89 SER CB C 89 64.000 64.967 -0.967 2 1 1159 . 1 1 A 89 89 SER N N 89 117.500 116.007 1.493 2 1 1160 . 1 1 A 90 90 SER H H 90 8.200 8.526 -0.326 2 1 1161 . 1 1 A 90 90 SER HA H 90 4.680 5.289 -0.609 2 1 1164 . 1 1 A 90 90 SER C C 90 172.400 173.070 -0.670 2 1 1165 . 1 1 A 90 90 SER CA C 90 57.700 56.976 0.724 2 1 1166 . 1 1 A 90 90 SER CB C 90 65.700 66.511 -0.811 2 1 1167 . 1 1 A 90 90 SER N N 90 113.200 116.231 -3.030 2 1 1168 . 1 1 A 91 91 ILE H H 91 8.640 8.764 -0.124 2 1 1169 . 1 1 A 91 91 ILE HA H 91 5.030 5.167 -0.137 2 1 1179 . 1 1 A 91 91 ILE C C 91 175.300 174.455 0.845 2 1 1180 . 1 1 A 91 91 ILE CA C 91 60.200 60.363 -0.163 2 1 1181 . 1 1 A 91 91 ILE CB C 91 42.200 41.551 0.649 2 1 1185 . 1 1 A 91 91 ILE N N 91 119.700 122.018 -2.318 2 1 1186 . 1 1 A 92 92 GLU H H 92 8.810 8.898 -0.088 2 1 1187 . 1 1 A 92 92 GLU HA H 92 4.710 5.132 -0.422 2 1 1192 . 1 1 A 92 92 GLU C C 92 174.700 175.203 -0.503 2 1 1193 . 1 1 A 92 92 GLU CA C 92 54.600 54.535 0.065 2 1 1194 . 1 1 A 92 92 GLU CB C 92 33.300 33.284 0.016 2 1 1196 . 1 1 A 92 92 GLU N N 92 125.900 127.139 -1.239 2 1 1197 . 1 1 A 93 93 LYS H H 93 9.080 8.565 0.515 2 1 1198 . 1 1 A 93 93 LYS HA H 93 4.100 4.323 -0.223 2 1 1207 . 1 1 A 93 93 LYS C C 93 176.400 176.040 0.360 2 1 1208 . 1 1 A 93 93 LYS CA C 93 57.500 56.532 0.968 2 1 1209 . 1 1 A 93 93 LYS CB C 93 32.900 33.171 -0.271 2 1 1213 . 1 1 A 93 93 LYS N N 93 127.600 126.238 1.362 2 1 1214 . 1 1 A 94 94 LEU H H 94 8.410 8.327 0.083 2 1 1215 . 1 1 A 94 94 LEU HA H 94 4.480 4.725 -0.245 2 1 1224 . 1 1 A 94 94 LEU C C 94 177.300 177.183 0.117 2 1 1225 . 1 1 A 94 94 LEU CA C 94 53.900 53.601 0.299 2 1 1226 . 1 1 A 94 94 LEU CB C 94 42.900 43.473 -0.573 2 1 1230 . 1 1 A 94 94 LEU N N 94 127.300 126.701 0.599 2 1 1231 . 1 1 A 95 95 SER H H 95 8.630 8.602 0.028 2 1 1232 . 1 1 A 95 95 SER HA H 95 4.350 4.385 -0.035 2 1 1235 . 1 1 A 95 95 SER C C 95 173.800 173.857 -0.057 2 1 1236 . 1 1 A 95 95 SER CA C 95 58.900 59.001 -0.101 2 1 1237 . 1 1 A 95 95 SER CB C 95 63.400 63.359 0.041 2 1 1238 . 1 1 A 95 95 SER N N 95 115.700 117.455 -1.755 2 1 1239 . 1 1 A 96 96 GLU H H 96 7.230 7.592 -0.362 2 1 1240 . 1 1 A 96 96 GLU HA H 96 4.750 4.720 0.030 2 1 1245 . 1 1 A 96 96 GLU CA C 96 53.000 53.164 -0.164 2 1 1246 . 1 1 A 96 96 GLU CB C 96 30.700 31.190 -0.490 2 1 1248 . 1 1 A 96 96 GLU N N 96 121.600 121.510 0.090 2 1 1249 . 1 1 A 97 97 PRO HA H 97 4.250 4.674 -0.424 2 1 1256 . 1 1 A 97 97 PRO CA C 97 62.400 62.496 -0.096 2 1 1257 . 1 1 A 97 97 PRO CB C 97 32.600 32.502 0.098 2 1 1260 . 1 1 A 98 98 ILE H H 98 7.920 8.403 -0.483 2 1 1261 . 1 1 A 98 98 ILE HA H 98 4.070 4.676 -0.606 2 1 1271 . 1 1 A 98 98 ILE C C 98 175.400 175.284 0.116 2 1 1272 . 1 1 A 98 98 ILE CA C 98 59.300 59.696 -0.396 2 1 1273 . 1 1 A 98 98 ILE CB C 98 38.300 39.936 -1.636 2 1 1277 . 1 1 A 98 98 ILE N N 98 122.700 121.323 1.377 2 1 1278 . 1 1 A 99 99 GLU H H 99 8.550 8.851 -0.301 2 1 1279 . 1 1 A 99 99 GLU HA H 99 4.260 4.489 -0.229 2 1 1284 . 1 1 A 99 99 GLU C C 99 175.100 176.537 -1.437 2 1 1285 . 1 1 A 99 99 GLU CA C 99 55.500 56.534 -1.034 2 1 1286 . 1 1 A 99 99 GLU CB C 99 30.000 30.411 -0.411 2 1 1288 . 1 1 A 99 99 GLU N N 99 127.900 126.725 1.175 2 1 1289 . 1 1 A 100 100 VAL H H 100 7.970 8.611 -0.641 2 1 1290 . 1 1 A 100 100 VAL HA H 100 3.980 4.298 -0.318 2 1 1298 . 1 1 A 100 100 VAL C C 100 176.700 175.963 0.737 2 1 1299 . 1 1 A 100 100 VAL CA C 100 61.000 62.305 -1.305 2 1 1300 . 1 1 A 100 100 VAL CB C 100 33.000 31.839 1.161 2 1 1303 . 1 1 A 100 100 VAL N N 100 121.100 122.939 -1.839 2 1 1304 . 1 1 A 101 101 GLY H H 101 8.520 7.992 0.527 2 1 1305 . 1 1 A 101 101 GLY HA2 H 101 3.830 4.039 -0.209 2 1 1306 . 1 1 A 101 101 GLY HA3 H 101 3.980 4.056 -0.076 2 1 1307 . 1 1 A 101 101 GLY C C 101 174.200 173.826 0.374 2 1 1308 . 1 1 A 101 101 GLY CA C 101 45.800 45.544 0.257 2 1 1309 . 1 1 A 101 101 GLY N N 101 114.000 110.274 3.726 2 1 1310 . 1 1 A 102 102 LEU H H 102 8.100 8.471 -0.371 2 1 1311 . 1 1 A 102 102 LEU HA H 102 4.170 4.399 -0.229 2 1 1320 . 1 1 A 102 102 LEU C C 102 177.700 176.346 1.354 2 1 1321 . 1 1 A 102 102 LEU CA C 102 55.500 54.948 0.552 2 1 1322 . 1 1 A 102 102 LEU CB C 102 42.600 42.032 0.568 2 1 1326 . 1 1 A 102 102 LEU N N 102 121.000 122.923 -1.923 2 1 1327 . 1 1 A 103 103 GLU H H 103 8.420 8.522 -0.102 2 1 1328 . 1 1 A 103 103 GLU HA H 103 4.090 4.278 -0.188 2 1 1333 . 1 1 A 103 103 GLU C C 103 176.400 176.450 -0.050 2 1 1334 . 1 1 A 103 103 GLU CA C 103 57.100 57.308 -0.208 2 1 1335 . 1 1 A 103 103 GLU CB C 103 29.900 30.082 -0.182 2 1 1337 . 1 1 A 103 103 GLU N N 103 120.000 122.656 -2.656 2 1 1338 . 1 1 A 104 104 HIS H H 104 8.180 8.150 0.030 2 1 1339 . 1 1 A 104 104 HIS HA H 104 4.580 4.627 -0.047 2 1 1342 . 1 1 A 104 104 HIS C C 104 173.800 174.671 -0.871 2 1 1343 . 1 1 A 104 104 HIS CA C 104 55.700 56.538 -0.838 2 1 1344 . 1 1 A 104 104 HIS CB C 104 30.000 30.424 -0.424 2 1 1345 . 1 1 A 104 104 HIS N N 104 119.000 119.198 -0.198 2 1 1346 . 1 1 A 105 105 HIS H H 105 8.160 8.294 -0.134 2 1 1347 . 1 1 A 105 105 HIS HA H 105 4.380 4.541 -0.161 2 1 1350 . 1 1 A 105 105 HIS CA C 105 57.200 56.267 0.933 2 1 1351 . 1 1 A 105 105 HIS CB C 105 30.000 30.692 -0.692 2 stop_ save_