NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596020 | 2n4s | 25679 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 428 HT1 GLY 428 -5.079 13.137 -3.557 2 H2 GLY 428 HT2 GLY 428 -3.864 11.988 -3.295 3 H3 GLY 428 HT3 GLY 428 -3.451 13.562 -3.768 4 HA2 GLY 428 HA1 GLY 428 -3.033 13.248 -1.413 5 HA3 GLY 428 HA2 GLY 428 -4.281 14.455 -1.692 6 H ALA 429 HN ALA 429 -4.405 10.895 -1.759 7 HA ALA 429 HA ALA 429 -6.906 10.941 -0.338 8 HB1 ALA 429 HB1 ALA 429 -5.202 8.594 -1.166 9 HB2 ALA 429 HB2 ALA 429 -6.488 9.325 -2.126 10 HB3 ALA 429 HB3 ALA 429 -6.872 8.522 -0.602 11 H THR 430 HN THR 430 -7.200 10.812 1.774 12 HA THR 430 HA THR 430 -4.934 10.041 3.472 13 HB THR 430 HB THR 430 -6.361 11.147 5.293 14 HG1 THR 430 HG1 THR 430 -8.333 11.381 4.335 15 HG21 THR 430 HG21 THR 430 -5.601 13.401 4.676 16 HG22 THR 430 HG22 THR 430 -5.307 12.846 3.027 17 HG23 THR 430 HG23 THR 430 -4.355 12.194 4.360 18 H ALA 431 HN ALA 431 -5.251 8.612 5.202 19 HA ALA 431 HA ALA 431 -6.084 6.853 6.357 20 HB1 ALA 431 HB1 ALA 431 -8.768 7.524 5.157 21 HB2 ALA 431 HB2 ALA 431 -8.127 8.175 6.665 22 HB3 ALA 431 HB3 ALA 431 -8.464 6.450 6.524 23 H VAL 432 HN VAL 432 -6.326 4.674 6.076 24 HA VAL 432 HA VAL 432 -5.463 3.687 3.597 25 HB VAL 432 HB VAL 432 -5.824 1.417 4.633 26 HG11 VAL 432 HG11 VAL 432 -4.042 1.714 6.303 27 HG12 VAL 432 HG12 VAL 432 -4.260 3.462 6.207 28 HG13 VAL 432 HG13 VAL 432 -3.695 2.565 4.798 29 HG21 VAL 432 HG21 VAL 432 -6.349 1.313 7.013 30 HG22 VAL 432 HG22 VAL 432 -7.696 2.003 6.110 31 HG23 VAL 432 HG23 VAL 432 -6.630 3.054 7.044 32 H SER 433 HN SER 433 -6.715 3.750 1.871 33 HA SER 433 HA SER 433 -9.385 2.533 2.056 34 HB2 SER 433 HB2 SER 433 -9.707 3.742 -0.205 35 HB3 SER 433 HB1 SER 433 -9.698 4.724 1.261 36 HG SER 433 HG SER 433 -7.588 4.358 -0.603 37 H GLU 434 HN GLU 434 -9.223 0.476 1.576 38 HA GLU 434 HA GLU 434 -9.046 -1.420 0.352 39 HB2 GLU 434 HB2 GLU 434 -9.583 0.030 -1.623 40 HB3 GLU 434 HB1 GLU 434 -7.865 0.220 -1.886 41 HG2 GLU 434 HG2 GLU 434 -7.589 -2.019 -2.443 42 HG3 GLU 434 HG1 GLU 434 -9.152 -2.478 -1.773 43 H TRP 435 HN TRP 435 -6.295 0.688 0.530 44 HA TRP 435 HA TRP 435 -4.550 -1.672 0.477 45 HB2 TRP 435 HB2 TRP 435 -3.792 1.198 -0.029 46 HB3 TRP 435 HB1 TRP 435 -2.683 -0.178 0.074 47 HD1 TRP 435 HD1 TRP 435 -5.677 1.008 -2.143 48 HE1 TRP 435 HE1 TRP 435 -5.250 0.173 -4.541 49 HE3 TRP 435 HE3 TRP 435 -1.379 -1.656 -1.341 50 HZ2 TRP 435 HZ2 TRP 435 -3.357 -1.401 -5.908 51 HZ3 TRP 435 HZ3 TRP 435 -0.327 -2.792 -3.250 52 HH2 TRP 435 HH2 TRP 435 -1.295 -2.667 -5.487 53 H THR 436 HN THR 436 -2.958 -1.869 1.925 54 HA THR 436 HA THR 436 -3.041 -0.167 4.321 55 HB THR 436 HB THR 436 -2.866 -3.146 4.132 56 HG1 THR 436 HG1 THR 436 -4.986 -1.400 4.409 57 HG21 THR 436 HG21 THR 436 -3.025 -1.344 6.556 58 HG22 THR 436 HG22 THR 436 -1.646 -2.332 6.076 59 HG23 THR 436 HG23 THR 436 -3.141 -3.103 6.609 60 H GLU 437 HN GLU 437 -0.993 0.415 4.995 61 HA GLU 437 HA GLU 437 1.246 -1.004 3.713 62 HB2 GLU 437 HB2 GLU 437 2.521 1.053 3.797 63 HB3 GLU 437 HB1 GLU 437 1.021 1.289 2.920 64 HG2 GLU 437 HG2 GLU 437 1.329 2.031 5.797 65 HG3 GLU 437 HG1 GLU 437 1.754 3.130 4.492 66 H TYR 438 HN TYR 438 2.914 -1.667 4.856 67 HA TYR 438 HA TYR 438 3.005 -1.125 7.754 68 HB2 TYR 438 HB2 TYR 438 3.669 -3.744 6.376 69 HB3 TYR 438 HB1 TYR 438 3.822 -3.423 8.096 70 HD1 TYR 438 HD1 TYR 438 1.776 -3.133 9.479 71 HD2 TYR 438 HD2 TYR 438 1.582 -4.354 5.409 72 HE1 TYR 438 HE1 TYR 438 -0.509 -3.967 9.843 73 HE2 TYR 438 HE2 TYR 438 -0.702 -5.190 5.765 74 HH TYR 438 HH TYR 438 -2.147 -5.915 7.507 75 H LYS 439 HN LYS 439 5.077 -0.630 8.539 76 HA LYS 439 HA LYS 439 7.135 -0.341 6.486 77 HB2 LYS 439 HB2 LYS 439 6.616 1.520 8.139 78 HB3 LYS 439 HB1 LYS 439 7.349 0.514 9.379 79 HG2 LYS 439 HG2 LYS 439 9.080 1.926 8.773 80 HG3 LYS 439 HG1 LYS 439 9.414 0.481 7.825 81 HD2 LYS 439 HD2 LYS 439 9.748 2.260 6.292 82 HD3 LYS 439 HD1 LYS 439 8.183 1.622 5.873 83 HE2 LYS 439 HE2 LYS 439 8.099 4.049 5.931 84 HE3 LYS 439 HE1 LYS 439 7.087 3.403 7.223 85 HZ1 LYS 439 HZ1 LYS 439 9.868 4.373 7.625 86 HZ2 LYS 439 HZ2 LYS 439 8.747 3.947 8.824 87 HZ3 LYS 439 HZ3 LYS 439 8.487 5.325 7.872 88 H THR 440 HN THR 440 8.481 -1.872 6.123 89 HA THR 440 HA THR 440 8.793 -4.070 7.988 90 HB THR 440 HB THR 440 10.218 -4.895 5.898 91 HG1 THR 440 HG1 THR 440 10.081 -2.991 4.684 92 HG21 THR 440 HG21 THR 440 8.192 -5.887 4.974 93 HG22 THR 440 HG22 THR 440 7.205 -4.741 5.878 94 HG23 THR 440 HG23 THR 440 8.163 -5.948 6.738 95 H ALA 441 HN ALA 441 10.812 -4.857 8.651 96 HA ALA 441 HA ALA 441 12.620 -3.059 9.672 97 HB1 ALA 441 HB1 ALA 441 13.226 -5.910 8.926 98 HB2 ALA 441 HB2 ALA 441 12.389 -5.393 10.389 99 HB3 ALA 441 HB3 ALA 441 14.070 -4.930 10.125 100 H ASP 442 HN ASP 442 12.399 -3.844 6.381 101 HA ASP 442 HA ASP 442 15.123 -3.340 5.640 102 HB2 ASP 442 HB2 ASP 442 14.386 -3.402 3.425 103 HB3 ASP 442 HB1 ASP 442 13.225 -4.447 4.238 104 H GLY 443 HN GLY 443 12.738 -1.502 6.962 105 HA2 GLY 443 HA2 GLY 443 13.035 0.681 7.716 106 HA3 GLY 443 HA1 GLY 443 14.239 0.936 6.466 107 H LYS 444 HN LYS 444 11.285 -0.480 5.273 108 HA LYS 444 HA LYS 444 10.019 2.157 5.012 109 HB2 LYS 444 HB2 LYS 444 10.016 0.589 2.703 110 HB3 LYS 444 HB1 LYS 444 9.906 2.277 2.804 111 HG2 LYS 444 HG2 LYS 444 12.356 2.358 3.303 112 HG3 LYS 444 HG1 LYS 444 12.428 0.638 2.916 113 HD2 LYS 444 HD2 LYS 444 11.459 2.785 1.030 114 HD3 LYS 444 HD1 LYS 444 13.092 2.121 1.034 115 HE2 LYS 444 HE2 LYS 444 10.577 0.512 0.607 116 HE3 LYS 444 HE1 LYS 444 11.614 1.117 -0.684 117 HZ1 LYS 444 HZ1 LYS 444 13.454 -0.173 0.359 118 HZ2 LYS 444 HZ2 LYS 444 12.205 -1.119 -0.276 119 HZ3 LYS 444 HZ3 LYS 444 12.317 -0.887 1.401 120 H THR 445 HN THR 445 7.995 1.985 3.611 121 HA THR 445 HA THR 445 6.367 -0.181 4.703 122 HB THR 445 HB THR 445 4.486 1.332 3.831 123 HG1 THR 445 HG1 THR 445 5.697 2.733 2.565 124 HG21 THR 445 HG21 THR 445 4.974 1.070 6.207 125 HG22 THR 445 HG22 THR 445 4.536 2.737 5.832 126 HG23 THR 445 HG23 THR 445 6.227 2.308 6.094 127 H TYR 446 HN TYR 446 5.154 -1.504 3.519 128 HA TYR 446 HA TYR 446 5.273 -1.235 0.589 129 HB2 TYR 446 HB2 TYR 446 5.295 -3.618 0.380 130 HB3 TYR 446 HB1 TYR 446 6.541 -3.195 1.535 131 HD1 TYR 446 HD1 TYR 446 6.109 -3.555 3.991 132 HD2 TYR 446 HD2 TYR 446 3.507 -5.064 0.980 133 HE1 TYR 446 HE1 TYR 446 5.153 -5.136 5.614 134 HE2 TYR 446 HE2 TYR 446 2.542 -6.644 2.597 135 HH TYR 446 HH TYR 446 3.247 -7.765 4.715 136 H TYR 447 HN TYR 447 3.359 -1.559 -0.544 137 HA TYR 447 HA TYR 447 0.994 -1.166 1.139 138 HB2 TYR 447 HB2 TYR 447 1.528 -0.530 -1.764 139 HB3 TYR 447 HB1 TYR 447 -0.043 -0.322 -0.992 140 HD1 TYR 447 HD2 TYR 447 -0.135 1.191 1.072 141 HD2 TYR 447 HD1 TYR 447 3.118 1.192 -1.663 142 HE1 TYR 447 HE2 TYR 447 0.537 3.407 1.892 143 HE2 TYR 447 HE1 TYR 447 3.795 3.419 -0.863 144 HH TYR 447 HH TYR 447 2.455 4.837 1.967 145 H TYR 448 HN TYR 448 -0.512 -2.623 1.330 146 HA TYR 448 HA TYR 448 -0.585 -4.893 -0.551 147 HB2 TYR 448 HB2 TYR 448 0.076 -5.622 1.642 148 HB3 TYR 448 HB1 TYR 448 -1.237 -4.729 2.398 149 HD1 TYR 448 HD1 TYR 448 -0.490 -7.615 0.181 150 HD2 TYR 448 HD2 TYR 448 -3.343 -5.735 2.719 151 HE1 TYR 448 HE1 TYR 448 -1.900 -9.627 0.081 152 HE2 TYR 448 HE2 TYR 448 -4.758 -7.741 2.623 153 HH TYR 448 HH TYR 448 -3.644 -10.713 1.337 154 H ASN 449 HN ASN 449 -2.320 -5.007 -1.797 155 HA ASN 449 HA ASN 449 -4.722 -3.482 -1.121 156 HB2 ASN 449 HB2 ASN 449 -3.834 -3.345 -3.429 157 HB3 ASN 449 HB1 ASN 449 -4.083 -5.077 -3.606 158 HD21 ASN 449 HD21 ASN 449 -5.621 -1.966 -3.452 159 HD22 ASN 449 HD22 ASN 449 -7.165 -2.495 -4.018 160 H ASN 450 HN ASN 450 -6.524 -4.375 -0.374 161 HA ASN 450 HA ASN 450 -6.313 -7.087 0.570 162 HB2 ASN 450 HB2 ASN 450 -8.376 -4.935 1.020 163 HB3 ASN 450 HB1 ASN 450 -8.465 -6.532 1.752 164 HD21 ASN 450 HD21 ASN 450 -6.784 -3.490 1.695 165 HD22 ASN 450 HD22 ASN 450 -5.922 -3.712 3.179 166 H ARG 451 HN ARG 451 -7.627 -5.760 -2.242 167 HA ARG 451 HA ARG 451 -9.701 -7.806 -2.441 168 HB2 ARG 451 HB2 ARG 451 -8.911 -5.507 -4.205 169 HB3 ARG 451 HB1 ARG 451 -9.919 -6.804 -4.821 170 HG2 ARG 451 HG2 ARG 451 -11.503 -6.328 -2.926 171 HG3 ARG 451 HG1 ARG 451 -10.546 -4.878 -2.604 172 HD2 ARG 451 HD2 ARG 451 -11.898 -5.551 -5.219 173 HD3 ARG 451 HD1 ARG 451 -12.500 -4.403 -4.023 174 HE ARG 451 HE ARG 451 -10.601 -2.995 -4.505 175 HH11 ARG 451 HH11 ARG 451 -11.198 -5.593 -6.808 176 HH12 ARG 451 HH12 ARG 451 -10.219 -4.858 -8.048 177 HH21 ARG 451 HH21 ARG 451 -9.324 -2.064 -6.140 178 HH22 ARG 451 HH22 ARG 451 -9.175 -2.871 -7.679 179 H THR 452 HN THR 452 -6.746 -6.833 -4.131 180 HA THR 452 HA THR 452 -6.813 -9.233 -5.755 181 HB THR 452 HB THR 452 -4.660 -8.181 -6.682 182 HG1 THR 452 HG1 THR 452 -4.408 -5.974 -6.149 183 HG21 THR 452 HG21 THR 452 -6.806 -8.048 -7.851 184 HG22 THR 452 HG22 THR 452 -5.925 -6.527 -8.000 185 HG23 THR 452 HG23 THR 452 -7.269 -6.660 -6.866 186 H GLU 453 HN GLU 453 -5.513 -8.297 -2.778 187 HA GLU 453 HA GLU 453 -4.106 -9.291 -1.285 188 HB2 GLU 453 HB2 GLU 453 -4.004 -11.559 -3.283 189 HB3 GLU 453 HB1 GLU 453 -3.462 -11.632 -1.614 190 HG2 GLU 453 HG2 GLU 453 -5.715 -11.372 -0.821 191 HG3 GLU 453 HG1 GLU 453 -6.304 -11.124 -2.467 192 H GLU 454 HN GLU 454 -3.096 -7.473 -3.217 193 HA GLU 454 HA GLU 454 -0.533 -8.699 -4.027 194 HB2 GLU 454 HB2 GLU 454 -0.355 -7.033 -5.754 195 HB3 GLU 454 HB1 GLU 454 -1.936 -7.788 -5.863 196 HG2 GLU 454 HG2 GLU 454 -2.932 -5.863 -4.736 197 HG3 GLU 454 HG1 GLU 454 -1.344 -5.104 -4.638 198 H SER 455 HN SER 455 1.383 -7.852 -3.426 199 HA SER 455 HA SER 455 1.310 -5.484 -1.690 200 HB2 SER 455 HB2 SER 455 3.415 -6.573 -0.665 201 HB3 SER 455 HB1 SER 455 1.850 -7.271 -0.261 202 HG SER 455 HG SER 455 3.959 -8.406 -1.505 203 H THR 456 HN THR 456 2.207 -3.799 -2.649 204 HA THR 456 HA THR 456 4.627 -4.202 -4.259 205 HB THR 456 HB THR 456 2.791 -3.993 -5.861 206 HG1 THR 456 HG1 THR 456 3.686 -2.295 -7.055 207 HG21 THR 456 HG21 THR 456 1.208 -2.751 -4.454 208 HG22 THR 456 HG22 THR 456 1.447 -1.959 -6.010 209 HG23 THR 456 HG23 THR 456 2.233 -1.321 -4.565 210 H TRP 457 HN TRP 457 6.053 -2.433 -4.307 211 HA TRP 457 HA TRP 457 5.856 -0.711 -1.992 212 HB2 TRP 457 HB2 TRP 457 8.027 -0.984 -4.080 213 HB3 TRP 457 HB1 TRP 457 8.134 0.031 -2.645 214 HD1 TRP 457 HD1 TRP 457 8.334 -3.624 -3.748 215 HE1 TRP 457 HE1 TRP 457 9.248 -5.026 -1.783 216 HE3 TRP 457 HE3 TRP 457 8.157 -0.075 -0.096 217 HZ2 TRP 457 HZ2 TRP 457 9.795 -4.650 0.981 218 HZ3 TRP 457 HZ3 TRP 457 8.853 -0.681 2.174 219 HH2 TRP 457 HH2 TRP 457 9.668 -2.877 2.704 220 H GLU 458 HN GLU 458 4.688 -0.554 -5.047 221 HA GLU 458 HA GLU 458 5.276 2.226 -5.594 222 HB2 GLU 458 HB2 GLU 458 5.061 0.555 -7.411 223 HB3 GLU 458 HB1 GLU 458 3.372 0.328 -6.981 224 HG2 GLU 458 HG2 GLU 458 2.889 2.627 -7.552 225 HG3 GLU 458 HG1 GLU 458 4.591 2.914 -7.914 226 H LYS 459 HN LYS 459 3.977 3.932 -5.197 227 HA LYS 459 HA LYS 459 1.997 3.711 -3.208 228 HB2 LYS 459 HB2 LYS 459 3.433 5.723 -3.648 229 HB3 LYS 459 HB1 LYS 459 2.437 6.061 -5.058 230 HG2 LYS 459 HG2 LYS 459 0.503 6.394 -3.686 231 HG3 LYS 459 HG1 LYS 459 1.378 5.872 -2.247 232 HD2 LYS 459 HD2 LYS 459 2.918 7.791 -2.547 233 HD3 LYS 459 HD1 LYS 459 1.923 8.334 -3.901 234 HE2 LYS 459 HE2 LYS 459 -0.002 8.518 -2.391 235 HE3 LYS 459 HE1 LYS 459 1.011 7.999 -1.045 236 HZ1 LYS 459 HZ1 LYS 459 1.513 10.424 -2.676 237 HZ2 LYS 459 HZ2 LYS 459 2.341 9.955 -1.268 238 HZ3 LYS 459 HZ3 LYS 459 0.715 10.426 -1.183 239 HA PRO 460 HA PRO 460 -1.436 2.349 -5.669 240 HB2 PRO 460 HB2 PRO 460 -3.027 3.387 -3.404 241 HB3 PRO 460 HB1 PRO 460 -2.953 1.756 -4.076 242 HG2 PRO 460 HG2 PRO 460 -1.831 2.326 -1.724 243 HG3 PRO 460 HG1 PRO 460 -1.066 1.193 -2.857 244 HD2 PRO 460 HD2 PRO 460 -0.397 4.054 -2.287 245 HD3 PRO 460 HD1 PRO 460 0.686 2.672 -2.557 246 H GLN 461 HN GLN 461 -3.250 3.143 -6.750 247 HA GLN 461 HA GLN 461 -3.148 5.935 -7.421 248 HB2 GLN 461 HB2 GLN 461 -3.694 4.058 -9.018 249 HB3 GLN 461 HB1 GLN 461 -5.242 3.910 -8.210 250 HG2 GLN 461 HG2 GLN 461 -5.813 6.185 -8.829 251 HG3 GLN 461 HG1 GLN 461 -4.250 6.375 -9.619 252 HE21 GLN 461 HE21 GLN 461 -4.271 3.669 -10.707 253 HE22 GLN 461 HE22 GLN 461 -5.406 3.691 -12.015 254 H GLU 462 HN GLU 462 -5.206 3.813 -5.606 255 HA GLU 462 HA GLU 462 -7.110 5.916 -4.986 256 HB2 GLU 462 HB2 GLU 462 -8.099 4.072 -3.487 257 HB3 GLU 462 HB1 GLU 462 -8.187 3.860 -5.222 258 HG2 GLU 462 HG2 GLU 462 -6.004 2.637 -3.582 259 HG3 GLU 462 HG1 GLU 462 -7.556 1.842 -3.842 260 H LEU 463 HN LEU 463 -4.129 5.559 -3.965 261 HA LEU 463 HA LEU 463 -4.767 6.587 -1.296 262 HB2 LEU 463 HB2 LEU 463 -4.191 4.119 -1.224 263 HB3 LEU 463 HB1 LEU 463 -2.582 4.559 -1.764 264 HG LEU 463 HG LEU 463 -2.246 5.879 0.278 265 HD11 LEU 463 HD11 LEU 463 -4.976 4.870 1.073 266 HD12 LEU 463 HD12 LEU 463 -4.577 6.532 0.646 267 HD13 LEU 463 HD13 LEU 463 -3.873 5.801 2.088 268 HD21 LEU 463 HD21 LEU 463 -2.149 4.012 1.851 269 HD22 LEU 463 HD22 LEU 463 -1.605 3.519 0.246 270 HD23 LEU 463 HD23 LEU 463 -3.216 3.074 0.809 271 H LYS 464 HN LYS 464 -3.743 7.506 -4.013 272 HA LYS 464 HA LYS 464 -1.057 8.405 -3.485 273 HB2 LYS 464 HB2 LYS 464 -1.198 9.499 -5.660 274 HB3 LYS 464 HB1 LYS 464 -1.745 7.834 -5.775 275 HG2 LYS 464 HG2 LYS 464 -4.107 8.790 -5.524 276 HG3 LYS 464 HG1 LYS 464 -3.368 10.352 -5.876 277 HD2 LYS 464 HD2 LYS 464 -3.245 7.900 -7.628 278 HD3 LYS 464 HD1 LYS 464 -4.281 9.304 -7.889 279 HE2 LYS 464 HE2 LYS 464 -2.357 10.718 -8.215 280 HE3 LYS 464 HE1 LYS 464 -1.270 9.387 -7.812 281 HZ1 LYS 464 HZ1 LYS 464 -3.158 9.328 -10.102 282 HZ2 LYS 464 HZ2 LYS 464 -1.910 8.229 -9.768 283 HZ3 LYS 464 HZ3 LYS 464 -1.542 9.815 -10.235 Start of MODEL 2 1 H1 GLY 428 HT1 GLY 428 -10.854 -4.204 18.773 2 H2 GLY 428 HT2 GLY 428 -10.042 -3.141 19.811 3 H3 GLY 428 HT3 GLY 428 -9.607 -4.781 19.770 4 HA2 GLY 428 HA1 GLY 428 -7.982 -3.477 18.575 5 HA3 GLY 428 HA2 GLY 428 -8.851 -4.545 17.481 6 H ALA 429 HN ALA 429 -7.689 -2.594 16.196 7 HA ALA 429 HA ALA 429 -9.510 -0.320 16.001 8 HB1 ALA 429 HB1 ALA 429 -7.866 0.643 14.488 9 HB2 ALA 429 HB2 ALA 429 -6.930 -0.851 14.531 10 HB3 ALA 429 HB3 ALA 429 -7.103 0.125 15.992 11 H THR 430 HN THR 430 -11.231 -0.522 14.765 12 HA THR 430 HA THR 430 -11.268 -2.341 12.504 13 HB THR 430 HB THR 430 -13.446 -0.408 13.319 14 HG1 THR 430 HG1 THR 430 -12.637 -2.865 14.454 15 HG21 THR 430 HG21 THR 430 -13.707 -1.488 11.129 16 HG22 THR 430 HG22 THR 430 -14.918 -2.061 12.276 17 HG23 THR 430 HG23 THR 430 -13.525 -3.070 11.891 18 H ALA 431 HN ALA 431 -10.339 -1.666 10.670 19 HA ALA 431 HA ALA 431 -10.988 1.009 9.667 20 HB1 ALA 431 HB1 ALA 431 -8.666 1.472 9.083 21 HB2 ALA 431 HB2 ALA 431 -8.164 -0.043 9.833 22 HB3 ALA 431 HB3 ALA 431 -8.842 1.250 10.822 23 H VAL 432 HN VAL 432 -11.610 0.891 7.617 24 HA VAL 432 HA VAL 432 -10.822 -1.465 6.041 25 HB VAL 432 HB VAL 432 -13.315 0.235 5.797 26 HG11 VAL 432 HG11 VAL 432 -12.451 -2.153 4.166 27 HG12 VAL 432 HG12 VAL 432 -12.531 -0.486 3.596 28 HG13 VAL 432 HG13 VAL 432 -14.008 -1.334 4.053 29 HG21 VAL 432 HG21 VAL 432 -13.369 -1.303 7.680 30 HG22 VAL 432 HG22 VAL 432 -12.923 -2.637 6.617 31 HG23 VAL 432 HG23 VAL 432 -14.478 -1.832 6.414 32 H SER 433 HN SER 433 -9.510 -1.114 4.418 33 HA SER 433 HA SER 433 -9.868 1.155 2.679 34 HB2 SER 433 HB2 SER 433 -7.449 1.799 2.816 35 HB3 SER 433 HB1 SER 433 -8.348 2.137 4.295 36 HG SER 433 HG SER 433 -6.241 0.454 3.869 37 H GLU 434 HN GLU 434 -9.278 0.665 0.608 38 HA GLU 434 HA GLU 434 -8.957 -1.999 -0.145 39 HB2 GLU 434 HB2 GLU 434 -9.822 -0.464 -1.733 40 HB3 GLU 434 HB1 GLU 434 -8.418 0.569 -1.621 41 HG2 GLU 434 HG2 GLU 434 -7.092 -1.083 -2.721 42 HG3 GLU 434 HG1 GLU 434 -8.461 -2.189 -2.779 43 H TRP 435 HN TRP 435 -6.537 0.429 0.587 44 HA TRP 435 HA TRP 435 -4.546 -1.720 0.365 45 HB2 TRP 435 HB2 TRP 435 -3.947 1.198 -0.081 46 HB3 TRP 435 HB1 TRP 435 -2.806 -0.156 -0.100 47 HD1 TRP 435 HD1 TRP 435 -5.885 1.117 -2.083 48 HE1 TRP 435 HE1 TRP 435 -5.660 0.337 -4.524 49 HE3 TRP 435 HE3 TRP 435 -1.610 -1.639 -1.636 50 HZ2 TRP 435 HZ2 TRP 435 -3.869 -1.240 -6.064 51 HZ3 TRP 435 HZ3 TRP 435 -0.698 -2.746 -3.636 52 HH2 TRP 435 HH2 TRP 435 -1.807 -2.556 -5.803 53 H THR 436 HN THR 436 -2.931 -1.771 1.791 54 HA THR 436 HA THR 436 -3.168 -0.141 4.222 55 HB THR 436 HB THR 436 -2.899 -3.115 3.967 56 HG1 THR 436 HG1 THR 436 -5.052 -1.411 4.409 57 HG21 THR 436 HG21 THR 436 -1.654 -2.303 5.911 58 HG22 THR 436 HG22 THR 436 -3.102 -3.158 6.441 59 HG23 THR 436 HG23 THR 436 -3.067 -1.394 6.455 60 H GLU 437 HN GLU 437 -1.134 0.441 5.034 61 HA GLU 437 HA GLU 437 1.153 -0.725 3.595 62 HB2 GLU 437 HB2 GLU 437 2.341 1.368 3.901 63 HB3 GLU 437 HB1 GLU 437 0.818 1.640 3.074 64 HG2 GLU 437 HG2 GLU 437 1.182 2.057 6.007 65 HG3 GLU 437 HG1 GLU 437 1.475 3.320 4.825 66 H TYR 438 HN TYR 438 2.849 -1.473 4.645 67 HA TYR 438 HA TYR 438 2.971 -1.275 7.587 68 HB2 TYR 438 HB2 TYR 438 3.548 -3.740 5.917 69 HB3 TYR 438 HB1 TYR 438 3.788 -3.609 7.652 70 HD1 TYR 438 HD1 TYR 438 1.767 -3.343 9.139 71 HD2 TYR 438 HD2 TYR 438 1.459 -4.332 5.012 72 HE1 TYR 438 HE1 TYR 438 -0.507 -4.196 9.518 73 HE2 TYR 438 HE2 TYR 438 -0.819 -5.181 5.380 74 HH TYR 438 HH TYR 438 -2.200 -6.035 7.170 75 H LYS 439 HN LYS 439 5.039 -0.880 8.388 76 HA LYS 439 HA LYS 439 7.126 -0.476 6.383 77 HB2 LYS 439 HB2 LYS 439 6.590 1.245 8.202 78 HB3 LYS 439 HB1 LYS 439 7.352 0.135 9.330 79 HG2 LYS 439 HG2 LYS 439 9.062 1.612 8.828 80 HG3 LYS 439 HG1 LYS 439 9.392 0.264 7.747 81 HD2 LYS 439 HD2 LYS 439 9.701 2.239 6.429 82 HD3 LYS 439 HD1 LYS 439 8.197 1.541 5.900 83 HE2 LYS 439 HE2 LYS 439 6.958 3.098 7.431 84 HE3 LYS 439 HE1 LYS 439 8.493 3.857 7.849 85 HZ1 LYS 439 HZ1 LYS 439 7.246 5.045 6.106 86 HZ2 LYS 439 HZ2 LYS 439 7.397 3.698 5.091 87 HZ3 LYS 439 HZ3 LYS 439 8.780 4.544 5.588 88 H THR 440 HN THR 440 8.597 -1.939 5.980 89 HA THR 440 HA THR 440 8.731 -4.336 7.617 90 HB THR 440 HB THR 440 10.360 -4.965 5.622 91 HG1 THR 440 HG1 THR 440 10.475 -3.229 4.359 92 HG21 THR 440 HG21 THR 440 7.366 -4.764 5.293 93 HG22 THR 440 HG22 THR 440 8.225 -6.058 6.130 94 HG23 THR 440 HG23 THR 440 8.437 -5.837 4.392 95 H ALA 441 HN ALA 441 10.685 -5.225 8.354 96 HA ALA 441 HA ALA 441 12.260 -3.653 9.894 97 HB1 ALA 441 HB1 ALA 441 13.119 -6.251 8.647 98 HB2 ALA 441 HB2 ALA 441 12.107 -6.078 10.080 99 HB3 ALA 441 HB3 ALA 441 13.779 -5.521 10.111 100 H ASP 442 HN ASP 442 12.703 -4.009 6.454 101 HA ASP 442 HA ASP 442 15.444 -3.161 6.404 102 HB2 ASP 442 HB2 ASP 442 15.240 -3.075 4.056 103 HB3 ASP 442 HB1 ASP 442 14.170 -4.387 4.540 104 H GLY 443 HN GLY 443 12.642 -1.649 7.230 105 HA2 GLY 443 HA2 GLY 443 12.584 0.475 8.185 106 HA3 GLY 443 HA1 GLY 443 14.006 0.917 7.260 107 H LYS 444 HN LYS 444 11.249 -0.525 5.549 108 HA LYS 444 HA LYS 444 10.078 2.135 5.176 109 HB2 LYS 444 HB2 LYS 444 10.253 0.602 2.851 110 HB3 LYS 444 HB1 LYS 444 10.179 2.297 2.994 111 HG2 LYS 444 HG2 LYS 444 12.565 2.346 3.633 112 HG3 LYS 444 HG1 LYS 444 12.652 0.608 3.338 113 HD2 LYS 444 HD2 LYS 444 11.915 2.694 1.288 114 HD3 LYS 444 HD1 LYS 444 13.496 1.933 1.442 115 HE2 LYS 444 HE2 LYS 444 10.950 0.401 0.956 116 HE3 LYS 444 HE1 LYS 444 12.003 0.971 -0.337 117 HZ1 LYS 444 HZ1 LYS 444 12.809 -0.893 1.840 118 HZ2 LYS 444 HZ2 LYS 444 13.792 -0.357 0.565 119 HZ3 LYS 444 HZ3 LYS 444 12.448 -1.336 0.239 120 H THR 445 HN THR 445 8.167 2.040 3.641 121 HA THR 445 HA THR 445 6.441 -0.124 4.594 122 HB THR 445 HB THR 445 4.693 1.623 3.598 123 HG1 THR 445 HG1 THR 445 6.139 3.168 2.898 124 HG21 THR 445 HG21 THR 445 4.715 0.842 5.909 125 HG22 THR 445 HG22 THR 445 4.461 2.585 5.838 126 HG23 THR 445 HG23 THR 445 6.042 1.940 6.277 127 H TYR 446 HN TYR 446 5.118 -1.259 3.316 128 HA TYR 446 HA TYR 446 5.284 -0.824 0.411 129 HB2 TYR 446 HB2 TYR 446 5.262 -3.207 0.040 130 HB3 TYR 446 HB1 TYR 446 6.557 -2.856 1.171 131 HD1 TYR 446 HD1 TYR 446 6.263 -3.406 3.590 132 HD2 TYR 446 HD2 TYR 446 3.434 -4.625 0.652 133 HE1 TYR 446 HE1 TYR 446 5.352 -5.064 5.160 134 HE2 TYR 446 HE2 TYR 446 2.517 -6.287 2.218 135 HH TYR 446 HH TYR 446 3.213 -7.537 4.203 136 H TYR 447 HN TYR 447 3.328 -1.188 -0.738 137 HA TYR 447 HA TYR 447 0.985 -0.921 0.991 138 HB2 TYR 447 HB2 TYR 447 1.487 -0.157 -1.877 139 HB3 TYR 447 HB1 TYR 447 -0.132 -0.181 -1.188 140 HD1 TYR 447 HD2 TYR 447 -0.264 1.057 1.183 141 HD2 TYR 447 HD1 TYR 447 2.584 1.889 -1.862 142 HE1 TYR 447 HE2 TYR 447 0.072 3.299 2.134 143 HE2 TYR 447 HE1 TYR 447 2.924 4.143 -0.933 144 HH TYR 447 HH TYR 447 1.457 5.120 2.118 145 H TYR 448 HN TYR 448 -0.439 -2.419 1.207 146 HA TYR 448 HA TYR 448 -0.386 -4.757 -0.579 147 HB2 TYR 448 HB2 TYR 448 0.365 -5.245 1.661 148 HB3 TYR 448 HB1 TYR 448 -1.047 -4.478 2.361 149 HD1 TYR 448 HD2 TYR 448 0.226 -7.447 0.618 150 HD2 TYR 448 HD1 TYR 448 -3.144 -5.662 2.510 151 HE1 TYR 448 HE2 TYR 448 -0.869 -9.644 0.732 152 HE2 TYR 448 HE1 TYR 448 -4.245 -7.856 2.628 153 HH TYR 448 HH TYR 448 -4.141 -10.044 1.474 154 H ASN 449 HN ASN 449 -2.116 -5.016 -1.782 155 HA ASN 449 HA ASN 449 -4.549 -3.499 -1.210 156 HB2 ASN 449 HB2 ASN 449 -3.742 -3.391 -3.496 157 HB3 ASN 449 HB1 ASN 449 -3.726 -5.149 -3.609 158 HD21 ASN 449 HD21 ASN 449 -5.745 -2.306 -3.482 159 HD22 ASN 449 HD22 ASN 449 -7.178 -3.061 -4.065 160 H ASN 450 HN ASN 450 -6.357 -4.370 -0.418 161 HA ASN 450 HA ASN 450 -6.153 -7.086 0.552 162 HB2 ASN 450 HB2 ASN 450 -8.236 -4.949 1.026 163 HB3 ASN 450 HB1 ASN 450 -8.248 -6.534 1.792 164 HD21 ASN 450 HD21 ASN 450 -6.826 -3.395 1.736 165 HD22 ASN 450 HD22 ASN 450 -5.838 -3.580 3.139 166 H ARG 451 HN ARG 451 -7.373 -5.798 -2.276 167 HA ARG 451 HA ARG 451 -9.699 -7.509 -2.502 168 HB2 ARG 451 HB2 ARG 451 -8.230 -6.218 -4.801 169 HB3 ARG 451 HB1 ARG 451 -9.906 -6.736 -4.751 170 HG2 ARG 451 HG2 ARG 451 -10.468 -4.928 -3.264 171 HG3 ARG 451 HG1 ARG 451 -8.768 -4.454 -3.153 172 HD2 ARG 451 HD2 ARG 451 -10.535 -4.371 -5.595 173 HD3 ARG 451 HD1 ARG 451 -9.855 -2.998 -4.722 174 HE ARG 451 HE ARG 451 -7.902 -4.848 -5.789 175 HH11 ARG 451 HH11 ARG 451 -9.745 -1.918 -6.358 176 HH12 ARG 451 HH12 ARG 451 -8.680 -1.353 -7.614 177 HH21 ARG 451 HH21 ARG 451 -6.511 -4.092 -7.439 178 HH22 ARG 451 HH22 ARG 451 -6.860 -2.584 -8.223 179 H THR 452 HN THR 452 -6.551 -7.314 -4.085 180 HA THR 452 HA THR 452 -6.817 -10.060 -5.061 181 HB THR 452 HB THR 452 -4.745 -9.357 -6.398 182 HG1 THR 452 HG1 THR 452 -4.347 -7.119 -6.455 183 HG21 THR 452 HG21 THR 452 -6.061 -8.080 -8.015 184 HG22 THR 452 HG22 THR 452 -7.293 -7.777 -6.792 185 HG23 THR 452 HG23 THR 452 -7.011 -9.420 -7.370 186 H GLU 453 HN GLU 453 -5.462 -8.385 -2.527 187 HA GLU 453 HA GLU 453 -3.961 -8.826 -0.905 188 HB2 GLU 453 HB2 GLU 453 -4.035 -11.610 -2.079 189 HB3 GLU 453 HB1 GLU 453 -3.234 -11.185 -0.569 190 HG2 GLU 453 HG2 GLU 453 -5.444 -10.366 0.273 191 HG3 GLU 453 HG1 GLU 453 -6.174 -11.034 -1.184 192 H GLU 454 HN GLU 454 -3.061 -7.612 -3.212 193 HA GLU 454 HA GLU 454 -0.493 -8.887 -3.848 194 HB2 GLU 454 HB2 GLU 454 -0.347 -7.268 -5.695 195 HB3 GLU 454 HB1 GLU 454 -1.825 -8.207 -5.775 196 HG2 GLU 454 HG2 GLU 454 -3.063 -6.326 -4.811 197 HG3 GLU 454 HG1 GLU 454 -1.572 -5.382 -4.782 198 H SER 455 HN SER 455 1.414 -8.049 -3.291 199 HA SER 455 HA SER 455 1.393 -5.591 -1.678 200 HB2 SER 455 HB2 SER 455 3.548 -6.544 -0.744 201 HB3 SER 455 HB1 SER 455 2.098 -7.472 -0.367 202 HG SER 455 HG SER 455 3.945 -8.028 -2.455 203 H THR 456 HN THR 456 2.315 -3.850 -2.565 204 HA THR 456 HA THR 456 4.548 -4.220 -4.425 205 HB THR 456 HB THR 456 2.538 -4.014 -5.835 206 HG1 THR 456 HG1 THR 456 3.822 -2.964 -7.129 207 HG21 THR 456 HG21 THR 456 1.266 -1.930 -5.884 208 HG22 THR 456 HG22 THR 456 2.207 -1.313 -4.526 209 HG23 THR 456 HG23 THR 456 1.144 -2.705 -4.305 210 H TRP 457 HN TRP 457 5.956 -2.452 -4.566 211 HA TRP 457 HA TRP 457 5.840 -0.638 -2.301 212 HB2 TRP 457 HB2 TRP 457 7.967 -1.008 -4.428 213 HB3 TRP 457 HB1 TRP 457 8.111 0.042 -3.021 214 HD1 TRP 457 HD1 TRP 457 8.209 -3.647 -4.029 215 HE1 TRP 457 HE1 TRP 457 9.128 -5.019 -2.046 216 HE3 TRP 457 HE3 TRP 457 8.264 0.016 -0.470 217 HZ2 TRP 457 HZ2 TRP 457 9.792 -4.588 0.663 218 HZ3 TRP 457 HZ3 TRP 457 9.045 -0.550 1.791 219 HH2 TRP 457 HH2 TRP 457 9.797 -2.788 2.345 220 H GLU 458 HN GLU 458 4.569 -0.674 -5.305 221 HA GLU 458 HA GLU 458 5.005 2.074 -6.064 222 HB2 GLU 458 HB2 GLU 458 4.629 0.295 -7.738 223 HB3 GLU 458 HB1 GLU 458 3.016 0.037 -7.089 224 HG2 GLU 458 HG2 GLU 458 3.004 1.367 -9.147 225 HG3 GLU 458 HG1 GLU 458 2.344 2.253 -7.772 226 H LYS 459 HN LYS 459 3.419 3.725 -6.017 227 HA LYS 459 HA LYS 459 1.710 3.494 -3.671 228 HB2 LYS 459 HB2 LYS 459 3.185 5.408 -3.789 229 HB3 LYS 459 HB1 LYS 459 2.519 5.868 -5.348 230 HG2 LYS 459 HG2 LYS 459 0.430 6.461 -4.363 231 HG3 LYS 459 HG1 LYS 459 0.907 5.771 -2.810 232 HD2 LYS 459 HD2 LYS 459 2.675 7.862 -3.934 233 HD3 LYS 459 HD1 LYS 459 1.090 8.387 -3.363 234 HE2 LYS 459 HE2 LYS 459 2.967 6.706 -1.713 235 HE3 LYS 459 HE1 LYS 459 2.950 8.468 -1.658 236 HZ1 LYS 459 HZ1 LYS 459 0.622 6.721 -1.049 237 HZ2 LYS 459 HZ2 LYS 459 0.652 8.411 -0.947 238 HZ3 LYS 459 HZ3 LYS 459 1.597 7.480 0.110 239 HA PRO 460 HA PRO 460 -1.885 2.527 -6.173 240 HB2 PRO 460 HB2 PRO 460 -3.571 3.122 -4.014 241 HB3 PRO 460 HB1 PRO 460 -2.919 1.536 -4.413 242 HG2 PRO 460 HG2 PRO 460 -1.965 3.531 -2.426 243 HG3 PRO 460 HG1 PRO 460 -1.959 1.762 -2.329 244 HD2 PRO 460 HD2 PRO 460 0.279 3.124 -2.813 245 HD3 PRO 460 HD1 PRO 460 -0.048 1.581 -3.629 246 H GLN 461 HN GLN 461 -3.472 3.664 -7.179 247 HA GLN 461 HA GLN 461 -3.369 6.476 -7.334 248 HB2 GLN 461 HB2 GLN 461 -4.302 4.847 -9.036 249 HB3 GLN 461 HB1 GLN 461 -5.736 4.742 -8.034 250 HG2 GLN 461 HG2 GLN 461 -6.053 7.174 -8.287 251 HG3 GLN 461 HG1 GLN 461 -4.677 7.210 -9.388 252 HE21 GLN 461 HE21 GLN 461 -5.368 4.605 -10.539 253 HE22 GLN 461 HE22 GLN 461 -6.717 4.905 -11.582 254 H GLU 462 HN GLU 462 -5.305 4.259 -5.482 255 HA GLU 462 HA GLU 462 -7.206 6.035 -4.453 256 HB2 GLU 462 HB2 GLU 462 -7.705 3.787 -4.097 257 HB3 GLU 462 HB1 GLU 462 -6.094 3.419 -3.496 258 HG2 GLU 462 HG2 GLU 462 -6.533 4.516 -1.437 259 HG3 GLU 462 HG1 GLU 462 -8.077 5.134 -2.023 260 H LEU 463 HN LEU 463 -3.920 5.340 -3.370 261 HA LEU 463 HA LEU 463 -4.289 7.326 -1.245 262 HB2 LEU 463 HB2 LEU 463 -4.411 4.985 -0.368 263 HB3 LEU 463 HB1 LEU 463 -2.769 4.745 -0.917 264 HG LEU 463 HG LEU 463 -2.054 6.598 0.595 265 HD11 LEU 463 HD11 LEU 463 -3.598 7.259 2.382 266 HD12 LEU 463 HD12 LEU 463 -4.885 6.338 1.602 267 HD13 LEU 463 HD13 LEU 463 -4.190 7.743 0.793 268 HD21 LEU 463 HD21 LEU 463 -1.794 4.263 1.225 269 HD22 LEU 463 HD22 LEU 463 -3.439 4.238 1.863 270 HD23 LEU 463 HD23 LEU 463 -2.210 5.243 2.632 271 H LYS 464 HN LYS 464 -3.318 8.421 -3.234 272 HA LYS 464 HA LYS 464 -0.441 8.114 -3.348 273 HB2 LYS 464 HB2 LYS 464 -0.826 10.167 -5.008 274 HB3 LYS 464 HB1 LYS 464 -1.032 8.494 -5.495 275 HG2 LYS 464 HG2 LYS 464 -2.873 9.646 -6.367 276 HG3 LYS 464 HG1 LYS 464 -3.485 8.770 -4.971 277 HD2 LYS 464 HD2 LYS 464 -4.469 10.908 -4.880 278 HD3 LYS 464 HD1 LYS 464 -3.195 10.920 -3.663 279 HE2 LYS 464 HE2 LYS 464 -2.838 11.993 -6.454 280 HE3 LYS 464 HE1 LYS 464 -3.377 12.984 -5.102 281 HZ1 LYS 464 HZ1 LYS 464 -1.253 12.186 -3.970 282 HZ2 LYS 464 HZ2 LYS 464 -1.097 13.327 -5.211 283 HZ3 LYS 464 HZ3 LYS 464 -0.744 11.700 -5.516 Start of MODEL 3 1 H1 GLY 428 HT1 GLY 428 -8.430 11.370 14.556 2 H2 GLY 428 HT2 GLY 428 -9.902 12.165 14.292 3 H3 GLY 428 HT3 GLY 428 -9.003 11.583 12.978 4 HA2 GLY 428 HA1 GLY 428 -9.314 9.297 13.831 5 HA3 GLY 428 HA2 GLY 428 -10.377 9.971 15.056 6 H ALA 429 HN ALA 429 -9.965 10.572 11.583 7 HA ALA 429 HA ALA 429 -12.822 10.162 11.197 8 HB1 ALA 429 HB1 ALA 429 -12.414 10.956 8.919 9 HB2 ALA 429 HB2 ALA 429 -10.682 11.004 9.244 10 HB3 ALA 429 HB3 ALA 429 -11.771 12.086 10.111 11 H THR 430 HN THR 430 -13.654 8.504 10.015 12 HA THR 430 HA THR 430 -12.394 6.026 10.001 13 HB THR 430 HB THR 430 -14.607 6.713 8.082 14 HG1 THR 430 HG1 THR 430 -16.035 6.758 9.745 15 HG21 THR 430 HG21 THR 430 -15.375 4.446 8.671 16 HG22 THR 430 HG22 THR 430 -13.996 4.268 9.754 17 HG23 THR 430 HG23 THR 430 -13.739 4.427 8.016 18 H ALA 431 HN ALA 431 -10.412 6.040 8.973 19 HA ALA 431 HA ALA 431 -10.260 6.833 6.181 20 HB1 ALA 431 HB1 ALA 431 -7.862 6.474 6.404 21 HB2 ALA 431 HB2 ALA 431 -8.100 5.807 8.020 22 HB3 ALA 431 HB3 ALA 431 -8.460 7.504 7.705 23 H VAL 432 HN VAL 432 -11.430 5.279 5.115 24 HA VAL 432 HA VAL 432 -10.618 2.493 5.441 25 HB VAL 432 HB VAL 432 -12.566 2.047 3.844 26 HG11 VAL 432 HG11 VAL 432 -14.227 2.265 5.656 27 HG12 VAL 432 HG12 VAL 432 -13.090 3.274 6.551 28 HG13 VAL 432 HG13 VAL 432 -12.699 1.588 6.219 29 HG21 VAL 432 HG21 VAL 432 -14.296 3.770 3.735 30 HG22 VAL 432 HG22 VAL 432 -12.809 4.323 2.967 31 HG23 VAL 432 HG23 VAL 432 -13.236 4.900 4.578 32 H SER 433 HN SER 433 -8.681 2.396 4.425 33 HA SER 433 HA SER 433 -8.527 3.187 1.617 34 HB2 SER 433 HB2 SER 433 -6.081 2.708 1.913 35 HB3 SER 433 HB1 SER 433 -6.692 3.961 2.992 36 HG SER 433 HG SER 433 -5.637 1.496 3.567 37 H GLU 434 HN GLU 434 -8.073 1.734 -0.021 38 HA GLU 434 HA GLU 434 -8.878 -0.994 0.458 39 HB2 GLU 434 HB2 GLU 434 -9.444 0.194 -1.642 40 HB3 GLU 434 HB1 GLU 434 -7.739 0.277 -2.039 41 HG2 GLU 434 HG2 GLU 434 -7.596 -1.964 -2.493 42 HG3 GLU 434 HG1 GLU 434 -9.016 -2.368 -1.534 43 H TRP 435 HN TRP 435 -5.960 0.784 0.279 44 HA TRP 435 HA TRP 435 -4.430 -1.709 0.282 45 HB2 TRP 435 HB2 TRP 435 -3.443 1.106 -0.165 46 HB3 TRP 435 HB1 TRP 435 -2.465 -0.368 -0.169 47 HD1 TRP 435 HD1 TRP 435 -5.616 0.889 -2.129 48 HE1 TRP 435 HE1 TRP 435 -5.323 0.218 -4.593 49 HE3 TRP 435 HE3 TRP 435 -1.133 -1.535 -1.778 50 HZ2 TRP 435 HZ2 TRP 435 -3.435 -1.145 -6.179 51 HZ3 TRP 435 HZ3 TRP 435 -0.152 -2.489 -3.818 52 HH2 TRP 435 HH2 TRP 435 -1.281 -2.299 -5.974 53 H THR 436 HN THR 436 -2.871 -2.041 1.752 54 HA THR 436 HA THR 436 -3.082 -0.504 4.251 55 HB THR 436 HB THR 436 -2.747 -3.453 3.779 56 HG1 THR 436 HG1 THR 436 -4.910 -1.799 4.305 57 HG21 THR 436 HG21 THR 436 -1.504 -2.757 5.775 58 HG22 THR 436 HG22 THR 436 -2.923 -3.699 6.231 59 HG23 THR 436 HG23 THR 436 -2.941 -1.943 6.395 60 H GLU 437 HN GLU 437 -1.124 0.043 5.194 61 HA GLU 437 HA GLU 437 1.269 -0.850 3.730 62 HB2 GLU 437 HB2 GLU 437 2.277 1.300 4.118 63 HB3 GLU 437 HB1 GLU 437 0.707 1.535 3.367 64 HG2 GLU 437 HG2 GLU 437 1.097 1.711 6.319 65 HG3 GLU 437 HG1 GLU 437 1.361 3.092 5.263 66 H TYR 438 HN TYR 438 2.845 -1.727 4.815 67 HA TYR 438 HA TYR 438 2.981 -1.408 7.747 68 HB2 TYR 438 HB2 TYR 438 3.657 -3.886 6.149 69 HB3 TYR 438 HB1 TYR 438 3.932 -3.692 7.870 70 HD1 TYR 438 HD1 TYR 438 1.865 -3.281 9.348 71 HD2 TYR 438 HD2 TYR 438 1.648 -4.771 5.370 72 HE1 TYR 438 HE1 TYR 438 -0.365 -4.200 9.823 73 HE2 TYR 438 HE2 TYR 438 -0.585 -5.689 5.829 74 HH TYR 438 HH TYR 438 -2.389 -4.863 8.585 75 H LYS 439 HN LYS 439 4.949 -0.765 8.494 76 HA LYS 439 HA LYS 439 7.038 -0.333 6.506 77 HB2 LYS 439 HB2 LYS 439 6.298 1.445 8.220 78 HB3 LYS 439 HB1 LYS 439 7.181 0.496 9.407 79 HG2 LYS 439 HG2 LYS 439 8.713 2.126 8.774 80 HG3 LYS 439 HG1 LYS 439 9.186 0.731 7.808 81 HD2 LYS 439 HD2 LYS 439 9.263 2.591 6.301 82 HD3 LYS 439 HD1 LYS 439 7.832 1.691 5.893 83 HE2 LYS 439 HE2 LYS 439 7.441 4.143 5.979 84 HE3 LYS 439 HE1 LYS 439 6.393 3.238 7.067 85 HZ1 LYS 439 HZ1 LYS 439 7.814 3.863 8.916 86 HZ2 LYS 439 HZ2 LYS 439 7.262 5.243 8.098 87 HZ3 LYS 439 HZ3 LYS 439 8.850 4.707 7.868 88 H THR 440 HN THR 440 8.483 -1.797 6.192 89 HA THR 440 HA THR 440 8.805 -4.020 8.028 90 HB THR 440 HB THR 440 10.266 -4.846 6.041 91 HG1 THR 440 HG1 THR 440 10.408 -3.471 4.440 92 HG21 THR 440 HG21 THR 440 8.059 -5.750 6.614 93 HG22 THR 440 HG22 THR 440 8.286 -5.655 4.868 94 HG23 THR 440 HG23 THR 440 7.294 -4.455 5.693 95 H ALA 441 HN ALA 441 10.856 -4.780 8.696 96 HA ALA 441 HA ALA 441 12.458 -2.962 9.965 97 HB1 ALA 441 HB1 ALA 441 12.360 -5.355 10.468 98 HB2 ALA 441 HB2 ALA 441 14.016 -4.759 10.354 99 HB3 ALA 441 HB3 ALA 441 13.320 -5.684 9.025 100 H ASP 442 HN ASP 442 12.685 -3.742 6.573 101 HA ASP 442 HA ASP 442 15.363 -2.769 6.242 102 HB2 ASP 442 HB2 ASP 442 14.905 -2.716 3.853 103 HB3 ASP 442 HB1 ASP 442 14.326 -4.224 4.548 104 H GLY 443 HN GLY 443 12.622 -1.281 7.187 105 HA2 GLY 443 HA2 GLY 443 12.648 0.901 7.998 106 HA3 GLY 443 HA1 GLY 443 13.935 1.287 6.874 107 H LYS 444 HN LYS 444 11.056 -0.287 5.555 108 HA LYS 444 HA LYS 444 9.776 2.314 5.145 109 HB2 LYS 444 HB2 LYS 444 9.862 0.689 2.864 110 HB3 LYS 444 HB1 LYS 444 9.764 2.388 2.946 111 HG2 LYS 444 HG2 LYS 444 12.128 2.599 3.300 112 HG3 LYS 444 HG1 LYS 444 12.309 0.845 3.372 113 HD2 LYS 444 HD2 LYS 444 11.213 0.963 0.984 114 HD3 LYS 444 HD1 LYS 444 11.839 2.613 1.022 115 HE2 LYS 444 HE2 LYS 444 13.507 1.249 0.010 116 HE3 LYS 444 HE1 LYS 444 14.072 1.659 1.630 117 HZ1 LYS 444 HZ1 LYS 444 13.014 -0.581 2.286 118 HZ2 LYS 444 HZ2 LYS 444 14.495 -0.596 1.466 119 HZ3 LYS 444 HZ3 LYS 444 13.066 -0.929 0.624 120 H THR 445 HN THR 445 7.801 2.040 3.699 121 HA THR 445 HA THR 445 6.254 -0.218 4.707 122 HB THR 445 HB THR 445 4.364 1.237 3.593 123 HG1 THR 445 HG1 THR 445 5.684 2.809 2.654 124 HG21 THR 445 HG21 THR 445 4.477 0.772 5.972 125 HG22 THR 445 HG22 THR 445 4.077 2.468 5.702 126 HG23 THR 445 HG23 THR 445 5.714 2.012 6.177 127 H TYR 446 HN TYR 446 5.139 -1.581 3.430 128 HA TYR 446 HA TYR 446 5.365 -1.194 0.529 129 HB2 TYR 446 HB2 TYR 446 5.455 -3.577 0.211 130 HB3 TYR 446 HB1 TYR 446 6.681 -3.143 1.387 131 HD1 TYR 446 HD1 TYR 446 6.227 -3.569 3.831 132 HD2 TYR 446 HD2 TYR 446 3.785 -5.162 0.733 133 HE1 TYR 446 HE1 TYR 446 5.369 -5.264 5.386 134 HE2 TYR 446 HE2 TYR 446 2.915 -6.860 2.285 135 HH TYR 446 HH TYR 446 3.676 -7.985 4.380 136 H TYR 447 HN TYR 447 3.497 -1.473 -0.662 137 HA TYR 447 HA TYR 447 1.097 -1.131 0.970 138 HB2 TYR 447 HB2 TYR 447 1.704 -0.404 -1.902 139 HB3 TYR 447 HB1 TYR 447 0.126 -0.191 -1.149 140 HD1 TYR 447 HD2 TYR 447 0.736 0.842 1.473 141 HD2 TYR 447 HD1 TYR 447 2.618 1.728 -2.241 142 HE1 TYR 447 HE2 TYR 447 1.425 3.031 2.352 143 HE2 TYR 447 HE1 TYR 447 3.299 3.939 -1.371 144 HH TYR 447 HH TYR 447 3.103 4.739 1.947 145 H TYR 448 HN TYR 448 -0.500 -2.529 1.006 146 HA TYR 448 HA TYR 448 -0.504 -4.748 -0.933 147 HB2 TYR 448 HB2 TYR 448 0.203 -5.598 1.189 148 HB3 TYR 448 HB1 TYR 448 -1.057 -4.715 2.037 149 HD1 TYR 448 HD1 TYR 448 -0.359 -7.628 -0.116 150 HD2 TYR 448 HD2 TYR 448 -3.269 -5.604 2.241 151 HE1 TYR 448 HE1 TYR 448 -1.798 -9.619 -0.189 152 HE2 TYR 448 HE2 TYR 448 -4.719 -7.588 2.169 153 HH TYR 448 HH TYR 448 -5.067 -9.574 0.821 154 H ASN 449 HN ASN 449 -2.301 -4.870 -2.146 155 HA ASN 449 HA ASN 449 -4.678 -3.361 -1.358 156 HB2 ASN 449 HB2 ASN 449 -3.914 -3.235 -3.711 157 HB3 ASN 449 HB1 ASN 449 -4.160 -4.970 -3.865 158 HD21 ASN 449 HD21 ASN 449 -5.678 -1.874 -3.758 159 HD22 ASN 449 HD22 ASN 449 -7.275 -2.412 -4.161 160 H ASN 450 HN ASN 450 -6.429 -4.246 -0.507 161 HA ASN 450 HA ASN 450 -6.145 -6.912 0.514 162 HB2 ASN 450 HB2 ASN 450 -8.231 -4.766 0.896 163 HB3 ASN 450 HB1 ASN 450 -8.359 -6.355 1.645 164 HD21 ASN 450 HD21 ASN 450 -6.641 -3.336 1.589 165 HD22 ASN 450 HD22 ASN 450 -5.798 -3.564 3.087 166 H ARG 451 HN ARG 451 -7.708 -5.682 -2.282 167 HA ARG 451 HA ARG 451 -9.652 -7.874 -2.236 168 HB2 ARG 451 HB2 ARG 451 -9.459 -5.422 -3.961 169 HB3 ARG 451 HB1 ARG 451 -10.537 -6.756 -4.346 170 HG2 ARG 451 HG2 ARG 451 -11.557 -6.454 -2.071 171 HG3 ARG 451 HG1 ARG 451 -10.608 -4.973 -1.929 172 HD2 ARG 451 HD2 ARG 451 -12.655 -5.589 -4.057 173 HD3 ARG 451 HD1 ARG 451 -12.858 -4.473 -2.706 174 HE ARG 451 HE ARG 451 -11.166 -3.057 -3.709 175 HH11 ARG 451 HH11 ARG 451 -12.542 -5.545 -5.781 176 HH12 ARG 451 HH12 ARG 451 -12.020 -4.765 -7.244 177 HH21 ARG 451 HH21 ARG 451 -10.462 -2.079 -5.631 178 HH22 ARG 451 HH22 ARG 451 -10.843 -2.820 -7.164 179 H THR 452 HN THR 452 -6.749 -6.883 -3.838 180 HA THR 452 HA THR 452 -7.036 -9.139 -5.699 181 HB THR 452 HB THR 452 -5.070 -8.076 -6.877 182 HG1 THR 452 HG1 THR 452 -4.533 -5.978 -6.308 183 HG21 THR 452 HG21 THR 452 -7.368 -7.785 -7.675 184 HG22 THR 452 HG22 THR 452 -6.413 -6.323 -7.936 185 HG23 THR 452 HG23 THR 452 -7.567 -6.399 -6.603 186 H GLU 453 HN GLU 453 -5.587 -8.253 -2.819 187 HA GLU 453 HA GLU 453 -4.089 -9.247 -1.428 188 HB2 GLU 453 HB2 GLU 453 -4.000 -11.470 -3.471 189 HB3 GLU 453 HB1 GLU 453 -3.416 -11.547 -1.814 190 HG2 GLU 453 HG2 GLU 453 -5.677 -11.288 -0.984 191 HG3 GLU 453 HG1 GLU 453 -6.281 -11.165 -2.640 192 H GLU 454 HN GLU 454 -3.229 -7.425 -3.552 193 HA GLU 454 HA GLU 454 -0.673 -8.626 -4.367 194 HB2 GLU 454 HB2 GLU 454 -0.494 -6.917 -6.058 195 HB3 GLU 454 HB1 GLU 454 -2.067 -7.688 -6.171 196 HG2 GLU 454 HG2 GLU 454 -3.062 -5.779 -4.989 197 HG3 GLU 454 HG1 GLU 454 -1.479 -4.999 -4.956 198 H SER 455 HN SER 455 1.167 -8.077 -3.507 199 HA SER 455 HA SER 455 1.259 -5.664 -1.825 200 HB2 SER 455 HB2 SER 455 3.220 -6.894 -0.731 201 HB3 SER 455 HB1 SER 455 1.612 -7.552 -0.431 202 HG SER 455 HG SER 455 3.421 -8.480 -2.420 203 H THR 456 HN THR 456 2.359 -4.047 -2.677 204 HA THR 456 HA THR 456 4.782 -4.566 -4.206 205 HB THR 456 HB THR 456 3.073 -4.593 -5.936 206 HG1 THR 456 HG1 THR 456 3.881 -2.831 -7.206 207 HG21 THR 456 HG21 THR 456 2.263 -1.891 -4.863 208 HG22 THR 456 HG22 THR 456 1.302 -3.370 -4.844 209 HG23 THR 456 HG23 THR 456 1.686 -2.590 -6.376 210 H TRP 457 HN TRP 457 6.171 -2.755 -4.345 211 HA TRP 457 HA TRP 457 5.858 -0.865 -2.196 212 HB2 TRP 457 HB2 TRP 457 8.001 -1.092 -4.321 213 HB3 TRP 457 HB1 TRP 457 8.073 -0.034 -2.915 214 HD1 TRP 457 HD1 TRP 457 8.458 -3.697 -3.930 215 HE1 TRP 457 HE1 TRP 457 9.490 -4.995 -1.959 216 HE3 TRP 457 HE3 TRP 457 8.206 -0.060 -0.363 217 HZ2 TRP 457 HZ2 TRP 457 10.102 -4.524 0.774 218 HZ3 TRP 457 HZ3 TRP 457 9.008 -0.563 1.894 219 HH2 TRP 457 HH2 TRP 457 9.943 -2.730 2.458 220 H GLU 458 HN GLU 458 4.549 -0.983 -5.156 221 HA GLU 458 HA GLU 458 5.010 1.684 -6.101 222 HB2 GLU 458 HB2 GLU 458 4.479 -0.352 -7.515 223 HB3 GLU 458 HB1 GLU 458 2.822 -0.210 -6.947 224 HG2 GLU 458 HG2 GLU 458 2.616 1.965 -7.956 225 HG3 GLU 458 HG1 GLU 458 4.315 1.938 -8.429 226 H LYS 459 HN LYS 459 3.752 3.439 -5.886 227 HA LYS 459 HA LYS 459 2.087 3.653 -3.622 228 HB2 LYS 459 HB2 LYS 459 3.528 5.444 -4.620 229 HB3 LYS 459 HB1 LYS 459 2.356 5.591 -5.919 230 HG2 LYS 459 HG2 LYS 459 0.725 6.480 -4.505 231 HG3 LYS 459 HG1 LYS 459 1.565 5.936 -3.049 232 HD2 LYS 459 HD2 LYS 459 3.315 7.530 -3.379 233 HD3 LYS 459 HD1 LYS 459 2.692 7.965 -4.969 234 HE2 LYS 459 HE2 LYS 459 2.160 9.638 -3.283 235 HE3 LYS 459 HE1 LYS 459 0.706 8.917 -3.958 236 HZ1 LYS 459 HZ1 LYS 459 0.803 7.415 -1.919 237 HZ2 LYS 459 HZ2 LYS 459 0.333 9.019 -1.689 238 HZ3 LYS 459 HZ3 LYS 459 1.908 8.536 -1.286 239 HA PRO 460 HA PRO 460 -1.691 2.129 -5.358 240 HB2 PRO 460 HB2 PRO 460 -3.032 3.540 -3.161 241 HB3 PRO 460 HB1 PRO 460 -2.956 1.812 -3.505 242 HG2 PRO 460 HG2 PRO 460 -1.636 2.905 -1.441 243 HG3 PRO 460 HG1 PRO 460 -0.982 1.535 -2.355 244 HD2 PRO 460 HD2 PRO 460 -0.278 4.436 -2.524 245 HD3 PRO 460 HD1 PRO 460 0.781 3.012 -2.574 246 H GLN 461 HN GLN 461 -3.543 2.796 -6.393 247 HA GLN 461 HA GLN 461 -3.489 5.364 -7.587 248 HB2 GLN 461 HB2 GLN 461 -4.409 3.155 -8.508 249 HB3 GLN 461 HB1 GLN 461 -5.848 3.500 -7.572 250 HG2 GLN 461 HG2 GLN 461 -6.070 5.645 -8.789 251 HG3 GLN 461 HG1 GLN 461 -4.709 5.162 -9.801 252 HE21 GLN 461 HE21 GLN 461 -5.916 5.136 -11.679 253 HE22 GLN 461 HE22 GLN 461 -7.095 3.915 -12.010 254 H GLU 462 HN GLU 462 -5.304 3.947 -4.967 255 HA GLU 462 HA GLU 462 -7.012 6.290 -4.743 256 HB2 GLU 462 HB2 GLU 462 -8.075 4.951 -2.864 257 HB3 GLU 462 HB1 GLU 462 -8.215 4.289 -4.483 258 HG2 GLU 462 HG2 GLU 462 -7.702 2.424 -3.276 259 HG3 GLU 462 HG1 GLU 462 -6.104 2.926 -3.822 260 H LEU 463 HN LEU 463 -4.000 5.583 -3.775 261 HA LEU 463 HA LEU 463 -4.233 7.238 -1.350 262 HB2 LEU 463 HB2 LEU 463 -3.690 4.820 -0.925 263 HB3 LEU 463 HB1 LEU 463 -2.213 5.043 -1.841 264 HG LEU 463 HG LEU 463 -1.412 6.664 -0.183 265 HD11 LEU 463 HD11 LEU 463 -3.563 7.547 0.553 266 HD12 LEU 463 HD12 LEU 463 -2.608 6.976 1.921 267 HD13 LEU 463 HD13 LEU 463 -3.947 6.002 1.313 268 HD21 LEU 463 HD21 LEU 463 -2.332 4.060 1.035 269 HD22 LEU 463 HD22 LEU 463 -1.034 5.089 1.641 270 HD23 LEU 463 HD23 LEU 463 -0.870 4.296 0.077 271 H LYS 464 HN LYS 464 -3.605 7.656 -4.316 272 HA LYS 464 HA LYS 464 -0.874 8.396 -4.518 273 HB2 LYS 464 HB2 LYS 464 -1.626 9.602 -6.593 274 HB3 LYS 464 HB1 LYS 464 -2.038 7.895 -6.538 275 HG2 LYS 464 HG2 LYS 464 -4.286 8.301 -6.313 276 HG3 LYS 464 HG1 LYS 464 -4.036 9.893 -5.597 277 HD2 LYS 464 HD2 LYS 464 -3.530 9.177 -8.484 278 HD3 LYS 464 HD1 LYS 464 -4.947 10.038 -7.877 279 HE2 LYS 464 HE2 LYS 464 -2.076 10.955 -7.799 280 HE3 LYS 464 HE1 LYS 464 -3.391 11.644 -8.750 281 HZ1 LYS 464 HZ1 LYS 464 -2.897 12.951 -6.757 282 HZ2 LYS 464 HZ2 LYS 464 -3.266 11.617 -5.777 283 HZ3 LYS 464 HZ3 LYS 464 -4.477 12.340 -6.725 Start of MODEL 4 1 H1 GLY 428 HT1 GLY 428 -21.260 -6.701 9.130 2 H2 GLY 428 HT2 GLY 428 -21.539 -6.323 10.757 3 H3 GLY 428 HT3 GLY 428 -21.101 -7.900 10.315 4 HA2 GLY 428 HA1 GLY 428 -19.243 -6.682 11.302 5 HA3 GLY 428 HA2 GLY 428 -18.930 -7.195 9.649 6 H ALA 429 HN ALA 429 -17.803 -4.975 11.255 7 HA ALA 429 HA ALA 429 -18.668 -2.716 9.567 8 HB1 ALA 429 HB1 ALA 429 -19.052 -2.338 11.957 9 HB2 ALA 429 HB2 ALA 429 -17.851 -1.222 11.309 10 HB3 ALA 429 HB3 ALA 429 -17.339 -2.607 12.274 11 H THR 430 HN THR 430 -17.270 -3.528 7.899 12 HA THR 430 HA THR 430 -14.427 -3.544 8.371 13 HB THR 430 HB THR 430 -15.876 -3.700 5.718 14 HG1 THR 430 HG1 THR 430 -15.071 -5.767 7.531 15 HG21 THR 430 HG21 THR 430 -13.123 -4.620 6.563 16 HG22 THR 430 HG22 THR 430 -13.474 -3.219 5.551 17 HG23 THR 430 HG23 THR 430 -13.841 -4.842 4.967 18 H ALA 431 HN ALA 431 -14.153 -1.381 9.105 19 HA ALA 431 HA ALA 431 -14.270 0.630 6.958 20 HB1 ALA 431 HB1 ALA 431 -14.059 1.055 9.940 21 HB2 ALA 431 HB2 ALA 431 -15.520 1.237 8.971 22 HB3 ALA 431 HB3 ALA 431 -14.153 2.322 8.716 23 H VAL 432 HN VAL 432 -12.387 0.531 5.895 24 HA VAL 432 HA VAL 432 -9.959 1.282 7.162 25 HB VAL 432 HB VAL 432 -10.047 -1.096 7.874 26 HG11 VAL 432 HG11 VAL 432 -9.755 -2.880 6.220 27 HG12 VAL 432 HG12 VAL 432 -9.948 -1.700 4.923 28 HG13 VAL 432 HG13 VAL 432 -11.289 -2.035 6.018 29 HG21 VAL 432 HG21 VAL 432 -7.865 -0.492 5.883 30 HG22 VAL 432 HG22 VAL 432 -7.801 -1.731 7.136 31 HG23 VAL 432 HG23 VAL 432 -7.884 -0.028 7.584 32 H SER 433 HN SER 433 -8.293 1.689 5.618 33 HA SER 433 HA SER 433 -9.147 2.353 3.009 34 HB2 SER 433 HB2 SER 433 -6.636 2.646 2.629 35 HB3 SER 433 HB1 SER 433 -7.340 3.595 3.937 36 HG SER 433 HG SER 433 -5.633 1.368 4.055 37 H GLU 434 HN GLU 434 -8.723 1.347 1.019 38 HA GLU 434 HA GLU 434 -8.972 -1.418 0.941 39 HB2 GLU 434 HB2 GLU 434 -9.550 0.104 -0.935 40 HB3 GLU 434 HB1 GLU 434 -7.843 0.330 -1.249 41 HG2 GLU 434 HG2 GLU 434 -8.782 -1.273 -2.779 42 HG3 GLU 434 HG1 GLU 434 -7.626 -2.053 -1.701 43 H TRP 435 HN TRP 435 -6.109 0.569 0.981 44 HA TRP 435 HA TRP 435 -4.508 -1.879 0.815 45 HB2 TRP 435 HB2 TRP 435 -3.532 0.945 0.403 46 HB3 TRP 435 HB1 TRP 435 -2.589 -0.548 0.277 47 HD1 TRP 435 HD1 TRP 435 -5.716 1.021 -1.444 48 HE1 TRP 435 HE1 TRP 435 -5.678 0.394 -3.936 49 HE3 TRP 435 HE3 TRP 435 -1.499 -1.873 -1.465 50 HZ2 TRP 435 HZ2 TRP 435 -4.044 -1.107 -5.686 51 HZ3 TRP 435 HZ3 TRP 435 -0.766 -2.862 -3.595 52 HH2 TRP 435 HH2 TRP 435 -2.011 -2.487 -5.660 53 H THR 436 HN THR 436 -2.912 -2.217 2.216 54 HA THR 436 HA THR 436 -2.927 -0.615 4.683 55 HB THR 436 HB THR 436 -2.477 -3.544 4.310 56 HG1 THR 436 HG1 THR 436 -4.759 -2.080 4.596 57 HG21 THR 436 HG21 THR 436 -2.634 -3.668 6.775 58 HG22 THR 436 HG22 THR 436 -2.791 -1.912 6.838 59 HG23 THR 436 HG23 THR 436 -1.294 -2.644 6.259 60 H GLU 437 HN GLU 437 -0.959 0.184 5.189 61 HA GLU 437 HA GLU 437 1.306 -0.823 3.636 62 HB2 GLU 437 HB2 GLU 437 2.298 1.295 3.735 63 HB3 GLU 437 HB1 GLU 437 0.600 1.609 3.451 64 HG2 GLU 437 HG2 GLU 437 1.932 1.798 6.123 65 HG3 GLU 437 HG1 GLU 437 1.698 3.154 5.034 66 H TYR 438 HN TYR 438 2.828 -1.913 4.553 67 HA TYR 438 HA TYR 438 3.113 -1.863 7.492 68 HB2 TYR 438 HB2 TYR 438 4.011 -4.038 5.587 69 HB3 TYR 438 HB1 TYR 438 4.011 -4.107 7.342 70 HD1 TYR 438 HD1 TYR 438 1.792 -4.194 8.550 71 HD2 TYR 438 HD2 TYR 438 2.132 -4.681 4.336 72 HE1 TYR 438 HE1 TYR 438 -0.417 -5.271 8.499 73 HE2 TYR 438 HE2 TYR 438 -0.078 -5.755 4.276 74 HH TYR 438 HH TYR 438 -1.561 -7.015 5.852 75 H LYS 439 HN LYS 439 5.054 -1.137 8.287 76 HA LYS 439 HA LYS 439 7.153 -0.573 6.334 77 HB2 LYS 439 HB2 LYS 439 6.448 1.097 8.150 78 HB3 LYS 439 HB1 LYS 439 7.295 0.054 9.283 79 HG2 LYS 439 HG2 LYS 439 8.902 1.634 8.796 80 HG3 LYS 439 HG1 LYS 439 9.310 0.346 7.667 81 HD2 LYS 439 HD2 LYS 439 9.450 2.349 6.389 82 HD3 LYS 439 HD1 LYS 439 7.957 1.598 5.894 83 HE2 LYS 439 HE2 LYS 439 6.736 3.050 7.565 84 HE3 LYS 439 HE1 LYS 439 8.256 3.882 7.878 85 HZ1 LYS 439 HZ1 LYS 439 6.860 5.049 6.268 86 HZ2 LYS 439 HZ2 LYS 439 6.925 3.713 5.227 87 HZ3 LYS 439 HZ3 LYS 439 8.342 4.579 5.586 88 H THR 440 HN THR 440 8.708 -1.910 5.963 89 HA THR 440 HA THR 440 8.955 -4.342 7.521 90 HB THR 440 HB THR 440 10.625 -4.811 5.525 91 HG1 THR 440 HG1 THR 440 10.699 -3.029 4.323 92 HG21 THR 440 HG21 THR 440 7.633 -4.686 5.162 93 HG22 THR 440 HG22 THR 440 8.525 -6.007 5.917 94 HG23 THR 440 HG23 THR 440 8.745 -5.658 4.201 95 H ALA 441 HN ALA 441 10.961 -5.154 8.238 96 HA ALA 441 HA ALA 441 12.436 -3.557 9.861 97 HB1 ALA 441 HB1 ALA 441 12.423 -6.002 9.913 98 HB2 ALA 441 HB2 ALA 441 14.056 -5.340 10.002 99 HB3 ALA 441 HB3 ALA 441 13.465 -6.030 8.490 100 H ASP 442 HN ASP 442 12.922 -3.766 6.398 101 HA ASP 442 HA ASP 442 15.596 -2.736 6.389 102 HB2 ASP 442 HB2 ASP 442 15.400 -2.564 4.055 103 HB3 ASP 442 HB1 ASP 442 14.356 -3.926 4.457 104 H GLY 443 HN GLY 443 12.648 -1.423 7.176 105 HA2 GLY 443 HA2 GLY 443 12.370 0.683 8.134 106 HA3 GLY 443 HA1 GLY 443 13.808 1.234 7.305 107 H LYS 444 HN LYS 444 11.242 -0.349 5.397 108 HA LYS 444 HA LYS 444 9.900 2.262 5.138 109 HB2 LYS 444 HB2 LYS 444 9.977 0.729 2.807 110 HB3 LYS 444 HB1 LYS 444 9.867 2.422 2.959 111 HG2 LYS 444 HG2 LYS 444 12.291 2.551 3.388 112 HG3 LYS 444 HG1 LYS 444 12.407 0.809 3.100 113 HD2 LYS 444 HD2 LYS 444 11.212 1.401 0.850 114 HD3 LYS 444 HD1 LYS 444 11.827 3.023 1.173 115 HE2 LYS 444 HE2 LYS 444 13.426 1.912 -0.200 116 HE3 LYS 444 HE1 LYS 444 14.102 2.015 1.426 117 HZ1 LYS 444 HZ1 LYS 444 14.488 -0.167 0.551 118 HZ2 LYS 444 HZ2 LYS 444 12.849 -0.371 0.171 119 HZ3 LYS 444 HZ3 LYS 444 13.339 -0.299 1.795 120 H THR 445 HN THR 445 8.019 2.018 3.556 121 HA THR 445 HA THR 445 6.385 -0.183 4.582 122 HB THR 445 HB THR 445 4.606 1.549 3.520 123 HG1 THR 445 HG1 THR 445 5.518 3.444 3.229 124 HG21 THR 445 HG21 THR 445 4.522 0.643 5.783 125 HG22 THR 445 HG22 THR 445 4.250 2.384 5.802 126 HG23 THR 445 HG23 THR 445 5.816 1.730 6.282 127 H TYR 446 HN TYR 446 5.034 -1.341 3.300 128 HA TYR 446 HA TYR 446 5.090 -0.842 0.414 129 HB2 TYR 446 HB2 TYR 446 5.429 -3.138 -0.104 130 HB3 TYR 446 HB1 TYR 446 6.647 -2.728 1.083 131 HD1 TYR 446 HD1 TYR 446 6.476 -3.582 3.393 132 HD2 TYR 446 HD2 TYR 446 3.722 -4.766 0.375 133 HE1 TYR 446 HE1 TYR 446 5.777 -5.488 4.782 134 HE2 TYR 446 HE2 TYR 446 3.015 -6.671 1.757 135 HH TYR 446 HH TYR 446 3.820 -8.030 3.570 136 H TYR 447 HN TYR 447 3.144 -1.442 -0.664 137 HA TYR 447 HA TYR 447 0.898 -1.221 1.205 138 HB2 TYR 447 HB2 TYR 447 1.078 -0.582 -1.743 139 HB3 TYR 447 HB1 TYR 447 -0.348 -0.333 -0.738 140 HD1 TYR 447 HD2 TYR 447 0.325 0.977 1.559 141 HD2 TYR 447 HD1 TYR 447 2.281 1.331 -2.191 142 HE1 TYR 447 HE2 TYR 447 1.168 3.194 2.228 143 HE2 TYR 447 HE1 TYR 447 3.126 3.549 -1.552 144 HH TYR 447 HH TYR 447 3.201 4.682 1.530 145 H TYR 448 HN TYR 448 -0.492 -2.773 1.501 146 HA TYR 448 HA TYR 448 -0.628 -5.004 -0.415 147 HB2 TYR 448 HB2 TYR 448 0.104 -5.750 1.744 148 HB3 TYR 448 HB1 TYR 448 -1.162 -4.840 2.554 149 HD1 TYR 448 HD2 TYR 448 -0.562 -7.759 0.330 150 HD2 TYR 448 HD1 TYR 448 -3.247 -5.812 2.996 151 HE1 TYR 448 HE2 TYR 448 -1.996 -9.757 0.341 152 HE2 TYR 448 HE1 TYR 448 -4.685 -7.803 3.015 153 HH TYR 448 HH TYR 448 -5.149 -9.752 1.574 154 H ASN 449 HN ASN 449 -2.411 -5.148 -1.606 155 HA ASN 449 HA ASN 449 -4.781 -3.592 -0.878 156 HB2 ASN 449 HB2 ASN 449 -3.947 -3.392 -3.180 157 HB3 ASN 449 HB1 ASN 449 -4.139 -5.123 -3.407 158 HD21 ASN 449 HD21 ASN 449 -5.839 -2.074 -3.047 159 HD22 ASN 449 HD22 ASN 449 -7.352 -2.658 -3.633 160 H ASN 450 HN ASN 450 -6.759 -4.466 -0.447 161 HA ASN 450 HA ASN 450 -6.625 -7.244 0.454 162 HB2 ASN 450 HB2 ASN 450 -8.459 -4.960 1.192 163 HB3 ASN 450 HB1 ASN 450 -8.648 -6.599 1.808 164 HD21 ASN 450 HD21 ASN 450 -6.708 -3.716 1.863 165 HD22 ASN 450 HD22 ASN 450 -5.773 -4.135 3.259 166 H ARG 451 HN ARG 451 -7.579 -5.923 -2.332 167 HA ARG 451 HA ARG 451 -9.979 -7.610 -2.552 168 HB2 ARG 451 HB2 ARG 451 -8.835 -5.585 -4.482 169 HB3 ARG 451 HB1 ARG 451 -10.253 -6.571 -4.802 170 HG2 ARG 451 HG2 ARG 451 -11.421 -5.517 -2.954 171 HG3 ARG 451 HG1 ARG 451 -9.989 -4.549 -2.590 172 HD2 ARG 451 HD2 ARG 451 -11.693 -4.448 -5.075 173 HD3 ARG 451 HD1 ARG 451 -11.496 -3.187 -3.857 174 HE ARG 451 HE ARG 451 -9.350 -4.070 -5.687 175 HH11 ARG 451 HH11 ARG 451 -10.998 -1.561 -3.882 176 HH12 ARG 451 HH12 ARG 451 -9.942 -0.291 -4.440 177 HH21 ARG 451 HH21 ARG 451 -7.929 -2.399 -6.370 178 HH22 ARG 451 HH22 ARG 451 -8.182 -0.778 -5.796 179 H THR 452 HN THR 452 -6.699 -7.269 -3.616 180 HA THR 452 HA THR 452 -6.992 -9.623 -5.357 181 HB THR 452 HB THR 452 -4.893 -8.648 -6.473 182 HG1 THR 452 HG1 THR 452 -4.603 -6.409 -6.132 183 HG21 THR 452 HG21 THR 452 -7.100 -8.611 -7.537 184 HG22 THR 452 HG22 THR 452 -6.220 -7.119 -7.867 185 HG23 THR 452 HG23 THR 452 -7.506 -7.136 -6.660 186 H GLU 453 HN GLU 453 -5.740 -8.622 -2.453 187 HA GLU 453 HA GLU 453 -4.112 -9.323 -1.028 188 HB2 GLU 453 HB2 GLU 453 -4.391 -11.787 -2.749 189 HB3 GLU 453 HB1 GLU 453 -3.323 -11.725 -1.358 190 HG2 GLU 453 HG2 GLU 453 -5.325 -12.772 -0.670 191 HG3 GLU 453 HG1 GLU 453 -5.302 -11.163 0.046 192 H GLU 454 HN GLU 454 -3.116 -7.598 -2.828 193 HA GLU 454 HA GLU 454 -0.621 -8.867 -3.779 194 HB2 GLU 454 HB2 GLU 454 -0.549 -7.344 -5.623 195 HB3 GLU 454 HB1 GLU 454 -2.141 -8.084 -5.603 196 HG2 GLU 454 HG2 GLU 454 -3.076 -6.080 -4.590 197 HG3 GLU 454 HG1 GLU 454 -1.475 -5.341 -4.559 198 H SER 455 HN SER 455 1.299 -7.822 -3.506 199 HA SER 455 HA SER 455 1.238 -5.464 -1.744 200 HB2 SER 455 HB2 SER 455 3.455 -6.305 -0.901 201 HB3 SER 455 HB1 SER 455 2.091 -7.342 -0.500 202 HG SER 455 HG SER 455 4.192 -7.749 -2.326 203 H THR 456 HN THR 456 2.076 -3.678 -2.613 204 HA THR 456 HA THR 456 4.140 -3.958 -4.688 205 HB THR 456 HB THR 456 1.913 -3.467 -5.731 206 HG1 THR 456 HG1 THR 456 2.869 -2.207 -7.176 207 HG21 THR 456 HG21 THR 456 0.937 -1.256 -5.476 208 HG22 THR 456 HG22 THR 456 2.176 -0.823 -4.299 209 HG23 THR 456 HG23 THR 456 0.996 -2.078 -3.918 210 H TRP 457 HN TRP 457 5.639 -2.231 -4.803 211 HA TRP 457 HA TRP 457 5.841 -0.742 -2.300 212 HB2 TRP 457 HB2 TRP 457 7.820 -1.284 -4.511 213 HB3 TRP 457 HB1 TRP 457 8.145 -0.154 -3.202 214 HD1 TRP 457 HD1 TRP 457 7.862 -3.898 -3.917 215 HE1 TRP 457 HE1 TRP 457 8.777 -5.188 -1.880 216 HE3 TRP 457 HE3 TRP 457 8.398 0.008 -0.679 217 HZ2 TRP 457 HZ2 TRP 457 9.598 -4.606 0.776 218 HZ3 TRP 457 HZ3 TRP 457 9.224 -0.441 1.586 219 HH2 TRP 457 HH2 TRP 457 9.821 -2.680 2.303 220 H GLU 458 HN GLU 458 4.595 -0.272 -5.320 221 HA GLU 458 HA GLU 458 5.342 2.532 -5.555 222 HB2 GLU 458 HB2 GLU 458 5.185 1.107 -7.577 223 HB3 GLU 458 HB1 GLU 458 3.475 0.856 -7.248 224 HG2 GLU 458 HG2 GLU 458 3.068 3.245 -7.526 225 HG3 GLU 458 HG1 GLU 458 4.781 3.501 -7.849 226 H LYS 459 HN LYS 459 4.061 4.205 -4.958 227 HA LYS 459 HA LYS 459 1.852 3.727 -3.251 228 HB2 LYS 459 HB2 LYS 459 3.502 5.775 -3.419 229 HB3 LYS 459 HB1 LYS 459 2.290 6.393 -4.534 230 HG2 LYS 459 HG2 LYS 459 0.596 6.288 -2.829 231 HG3 LYS 459 HG1 LYS 459 1.723 5.518 -1.710 232 HD2 LYS 459 HD2 LYS 459 3.168 7.626 -2.070 233 HD3 LYS 459 HD1 LYS 459 1.688 8.343 -2.711 234 HE2 LYS 459 HE2 LYS 459 2.017 7.121 0.029 235 HE3 LYS 459 HE1 LYS 459 1.991 8.845 -0.329 236 HZ1 LYS 459 HZ1 LYS 459 -0.264 8.749 -0.940 237 HZ2 LYS 459 HZ2 LYS 459 -0.148 7.846 0.494 238 HZ3 LYS 459 HZ3 LYS 459 -0.269 7.055 -0.999 239 HA PRO 460 HA PRO 460 -1.081 3.036 -6.528 240 HB2 PRO 460 HB2 PRO 460 -3.091 3.148 -4.385 241 HB3 PRO 460 HB1 PRO 460 -2.660 1.806 -5.445 242 HG2 PRO 460 HG2 PRO 460 -2.032 1.801 -2.837 243 HG3 PRO 460 HG1 PRO 460 -0.965 1.078 -4.058 244 HD2 PRO 460 HD2 PRO 460 -0.756 3.736 -2.691 245 HD3 PRO 460 HD1 PRO 460 0.516 2.550 -3.055 246 H GLN 461 HN GLN 461 -2.468 4.241 -7.724 247 HA GLN 461 HA GLN 461 -2.865 6.998 -7.297 248 HB2 GLN 461 HB2 GLN 461 -3.054 5.749 -9.472 249 HB3 GLN 461 HB1 GLN 461 -4.586 5.112 -8.920 250 HG2 GLN 461 HG2 GLN 461 -5.015 6.922 -10.403 251 HG3 GLN 461 HG1 GLN 461 -5.456 7.415 -8.771 252 HE21 GLN 461 HE21 GLN 461 -4.771 8.982 -11.153 253 HE22 GLN 461 HE22 GLN 461 -3.472 10.016 -10.673 254 H GLU 462 HN GLU 462 -4.629 4.161 -6.477 255 HA GLU 462 HA GLU 462 -7.049 5.275 -5.572 256 HB2 GLU 462 HB2 GLU 462 -6.580 2.872 -6.115 257 HB3 GLU 462 HB1 GLU 462 -5.687 2.756 -4.612 258 HG2 GLU 462 HG2 GLU 462 -7.630 3.046 -3.321 259 HG3 GLU 462 HG1 GLU 462 -8.578 3.548 -4.722 260 H LEU 463 HN LEU 463 -3.920 5.389 -4.214 261 HA LEU 463 HA LEU 463 -4.970 6.544 -1.766 262 HB2 LEU 463 HB2 LEU 463 -4.732 4.113 -1.325 263 HB3 LEU 463 HB1 LEU 463 -3.029 4.234 -1.714 264 HG LEU 463 HG LEU 463 -2.703 5.740 0.211 265 HD11 LEU 463 HD11 LEU 463 -4.490 6.005 1.861 266 HD12 LEU 463 HD12 LEU 463 -5.606 5.148 0.796 267 HD13 LEU 463 HD13 LEU 463 -4.944 6.709 0.308 268 HD21 LEU 463 HD21 LEU 463 -3.003 4.028 1.941 269 HD22 LEU 463 HD22 LEU 463 -2.342 3.349 0.454 270 HD23 LEU 463 HD23 LEU 463 -4.045 3.115 0.849 271 H LYS 464 HN LYS 464 -4.070 8.313 -3.102 272 HA LYS 464 HA LYS 464 -1.148 8.472 -2.991 273 HB2 LYS 464 HB2 LYS 464 -1.459 10.395 -4.593 274 HB3 LYS 464 HB1 LYS 464 -1.939 8.821 -5.206 275 HG2 LYS 464 HG2 LYS 464 -4.292 9.387 -4.647 276 HG3 LYS 464 HG1 LYS 464 -3.749 11.010 -4.222 277 HD2 LYS 464 HD2 LYS 464 -2.867 11.270 -6.518 278 HD3 LYS 464 HD1 LYS 464 -3.526 9.682 -6.920 279 HE2 LYS 464 HE2 LYS 464 -5.073 12.121 -6.052 280 HE3 LYS 464 HE1 LYS 464 -5.041 11.411 -7.665 281 HZ1 LYS 464 HZ1 LYS 464 -6.129 9.454 -6.827 282 HZ2 LYS 464 HZ2 LYS 464 -7.035 10.818 -6.388 283 HZ3 LYS 464 HZ3 LYS 464 -6.064 10.040 -5.236 Start of MODEL 5 1 H1 GLY 428 HT1 GLY 428 -13.303 3.859 18.800 2 H2 GLY 428 HT2 GLY 428 -14.382 4.259 20.048 3 H3 GLY 428 HT3 GLY 428 -13.152 5.342 19.609 4 HA2 GLY 428 HA1 GLY 428 -15.435 4.532 17.897 5 HA3 GLY 428 HA2 GLY 428 -15.283 6.069 18.742 6 H ALA 429 HN ALA 429 -13.831 4.019 16.266 7 HA ALA 429 HA ALA 429 -13.233 6.277 14.609 8 HB1 ALA 429 HB1 ALA 429 -10.809 5.988 14.530 9 HB2 ALA 429 HB2 ALA 429 -10.909 4.741 15.775 10 HB3 ALA 429 HB3 ALA 429 -11.337 6.407 16.160 11 H THR 430 HN THR 430 -13.988 5.453 12.766 12 HA THR 430 HA THR 430 -13.207 2.698 12.056 13 HB THR 430 HB THR 430 -15.516 4.303 10.941 14 HG1 THR 430 HG1 THR 430 -15.305 3.053 13.282 15 HG21 THR 430 HG21 THR 430 -14.653 2.600 9.410 16 HG22 THR 430 HG22 THR 430 -16.244 2.151 10.023 17 HG23 THR 430 HG23 THR 430 -14.799 1.380 10.676 18 H ALA 431 HN ALA 431 -11.855 2.438 10.386 19 HA ALA 431 HA ALA 431 -11.570 4.648 8.462 20 HB1 ALA 431 HB1 ALA 431 -9.322 3.013 9.646 21 HB2 ALA 431 HB2 ALA 431 -9.678 4.703 10.000 22 HB3 ALA 431 HB3 ALA 431 -9.157 4.236 8.383 23 H VAL 432 HN VAL 432 -12.081 3.986 6.513 24 HA VAL 432 HA VAL 432 -11.887 1.159 5.843 25 HB VAL 432 HB VAL 432 -13.100 1.862 3.726 26 HG11 VAL 432 HG11 VAL 432 -15.273 2.020 4.860 27 HG12 VAL 432 HG12 VAL 432 -14.447 2.348 6.382 28 HG13 VAL 432 HG13 VAL 432 -14.240 0.788 5.586 29 HG21 VAL 432 HG21 VAL 432 -13.415 4.441 5.272 30 HG22 VAL 432 HG22 VAL 432 -14.315 4.006 3.820 31 HG23 VAL 432 HG23 VAL 432 -12.568 4.234 3.737 32 H SER 433 HN SER 433 -10.062 0.476 5.010 33 HA SER 433 HA SER 433 -8.664 2.187 3.081 34 HB2 SER 433 HB2 SER 433 -6.504 1.339 4.091 35 HB3 SER 433 HB1 SER 433 -7.418 2.447 5.111 36 HG SER 433 HG SER 433 -7.632 0.919 6.536 37 H GLU 434 HN GLU 434 -8.580 1.161 1.194 38 HA GLU 434 HA GLU 434 -8.982 -1.655 0.986 39 HB2 GLU 434 HB2 GLU 434 -9.696 -0.035 -0.763 40 HB3 GLU 434 HB1 GLU 434 -8.012 0.258 -1.136 41 HG2 GLU 434 HG2 GLU 434 -7.722 -1.862 -2.014 42 HG3 GLU 434 HG1 GLU 434 -9.178 -2.488 -1.246 43 H TRP 435 HN TRP 435 -6.237 0.461 1.081 44 HA TRP 435 HA TRP 435 -4.494 -1.875 0.755 45 HB2 TRP 435 HB2 TRP 435 -3.755 1.024 0.372 46 HB3 TRP 435 HB1 TRP 435 -2.675 -0.372 0.246 47 HD1 TRP 435 HD1 TRP 435 -5.924 0.902 -1.507 48 HE1 TRP 435 HE1 TRP 435 -5.769 0.291 -4.003 49 HE3 TRP 435 HE3 TRP 435 -1.451 -1.582 -1.459 50 HZ2 TRP 435 HZ2 TRP 435 -3.981 -1.051 -5.722 51 HZ3 TRP 435 HZ3 TRP 435 -0.590 -2.489 -3.573 52 HH2 TRP 435 HH2 TRP 435 -1.826 -2.229 -5.660 53 H THR 436 HN THR 436 -2.824 -2.132 2.098 54 HA THR 436 HA THR 436 -2.892 -0.625 4.624 55 HB THR 436 HB THR 436 -2.436 -3.544 4.135 56 HG1 THR 436 HG1 THR 436 -4.690 -2.058 4.929 57 HG21 THR 436 HG21 THR 436 -1.174 -2.778 6.070 58 HG22 THR 436 HG22 THR 436 -2.541 -3.752 6.611 59 HG23 THR 436 HG23 THR 436 -2.609 -1.992 6.725 60 H GLU 437 HN GLU 437 -0.882 0.076 5.314 61 HA GLU 437 HA GLU 437 1.411 -0.946 3.779 62 HB2 GLU 437 HB2 GLU 437 2.507 1.152 4.010 63 HB3 GLU 437 HB1 GLU 437 0.877 1.473 3.450 64 HG2 GLU 437 HG2 GLU 437 1.667 1.667 6.322 65 HG3 GLU 437 HG1 GLU 437 1.831 3.012 5.206 66 H TYR 438 HN TYR 438 2.980 -1.945 4.808 67 HA TYR 438 HA TYR 438 3.178 -1.685 7.741 68 HB2 TYR 438 HB2 TYR 438 3.958 -4.061 6.037 69 HB3 TYR 438 HB1 TYR 438 4.128 -3.954 7.779 70 HD1 TYR 438 HD1 TYR 438 2.010 -3.796 9.183 71 HD2 TYR 438 HD2 TYR 438 1.982 -4.848 5.064 72 HE1 TYR 438 HE1 TYR 438 -0.208 -4.822 9.467 73 HE2 TYR 438 HE2 TYR 438 -0.236 -5.871 5.329 74 HH TYR 438 HH TYR 438 -2.172 -5.411 8.081 75 H LYS 439 HN LYS 439 5.134 -0.989 8.500 76 HA LYS 439 HA LYS 439 7.213 -0.482 6.508 77 HB2 LYS 439 HB2 LYS 439 6.503 1.308 8.150 78 HB3 LYS 439 HB1 LYS 439 7.227 0.335 9.419 79 HG2 LYS 439 HG2 LYS 439 8.903 1.839 8.970 80 HG3 LYS 439 HG1 LYS 439 9.372 0.472 7.968 81 HD2 LYS 439 HD2 LYS 439 9.690 2.284 6.518 82 HD3 LYS 439 HD1 LYS 439 8.131 1.689 6.023 83 HE2 LYS 439 HE2 LYS 439 8.453 3.935 8.051 84 HE3 LYS 439 HE1 LYS 439 8.342 4.208 6.316 85 HZ1 LYS 439 HZ1 LYS 439 6.217 4.474 7.509 86 HZ2 LYS 439 HZ2 LYS 439 6.254 2.834 7.920 87 HZ3 LYS 439 HZ3 LYS 439 6.152 3.295 6.293 88 H THR 440 HN THR 440 8.685 -1.903 6.171 89 HA THR 440 HA THR 440 8.989 -4.170 7.954 90 HB THR 440 HB THR 440 10.458 -4.971 5.975 91 HG1 THR 440 HG1 THR 440 10.701 -3.512 4.457 92 HG21 THR 440 HG21 THR 440 8.199 -5.825 6.462 93 HG22 THR 440 HG22 THR 440 8.491 -5.695 4.728 94 HG23 THR 440 HG23 THR 440 7.508 -4.482 5.545 95 H ALA 441 HN ALA 441 11.015 -4.943 8.648 96 HA ALA 441 HA ALA 441 12.622 -3.205 9.977 97 HB1 ALA 441 HB1 ALA 441 13.511 -5.862 8.880 98 HB2 ALA 441 HB2 ALA 441 12.556 -5.622 10.345 99 HB3 ALA 441 HB3 ALA 441 14.204 -5.002 10.255 100 H ASP 442 HN ASP 442 12.868 -3.779 6.542 101 HA ASP 442 HA ASP 442 15.562 -2.809 6.300 102 HB2 ASP 442 HB2 ASP 442 15.138 -2.666 3.905 103 HB3 ASP 442 HB1 ASP 442 14.561 -4.205 4.529 104 H GLY 443 HN GLY 443 12.760 -1.366 7.204 105 HA2 GLY 443 HA2 GLY 443 12.727 0.791 8.080 106 HA3 GLY 443 HA1 GLY 443 14.067 1.219 7.035 107 H LYS 444 HN LYS 444 11.239 -0.331 5.584 108 HA LYS 444 HA LYS 444 9.950 2.263 5.212 109 HB2 LYS 444 HB2 LYS 444 10.083 0.685 2.911 110 HB3 LYS 444 HB1 LYS 444 9.935 2.382 3.003 111 HG2 LYS 444 HG2 LYS 444 12.324 2.597 3.482 112 HG3 LYS 444 HG1 LYS 444 12.507 0.847 3.347 113 HD2 LYS 444 HD2 LYS 444 11.521 2.632 1.123 114 HD3 LYS 444 HD1 LYS 444 13.194 2.105 1.308 115 HE2 LYS 444 HE2 LYS 444 10.821 0.265 0.992 116 HE3 LYS 444 HE1 LYS 444 11.914 0.737 -0.310 117 HZ1 LYS 444 HZ1 LYS 444 12.547 -1.402 0.559 118 HZ2 LYS 444 HZ2 LYS 444 12.656 -0.788 2.138 119 HZ3 LYS 444 HZ3 LYS 444 13.747 -0.267 0.942 120 H THR 445 HN THR 445 7.951 2.077 3.865 121 HA THR 445 HA THR 445 6.410 -0.248 4.746 122 HB THR 445 HB THR 445 4.603 1.474 3.668 123 HG1 THR 445 HG1 THR 445 6.004 3.165 3.324 124 HG21 THR 445 HG21 THR 445 4.396 0.423 5.847 125 HG22 THR 445 HG22 THR 445 4.093 2.157 5.969 126 HG23 THR 445 HG23 THR 445 5.638 1.492 6.498 127 H TYR 446 HN TYR 446 5.111 -1.403 3.428 128 HA TYR 446 HA TYR 446 5.232 -0.880 0.537 129 HB2 TYR 446 HB2 TYR 446 5.341 -3.237 0.074 130 HB3 TYR 446 HB1 TYR 446 6.622 -2.869 1.216 131 HD1 TYR 446 HD1 TYR 446 6.483 -3.655 3.542 132 HD2 TYR 446 HD2 TYR 446 3.495 -4.659 0.687 133 HE1 TYR 446 HE1 TYR 446 5.674 -5.436 5.029 134 HE2 TYR 446 HE2 TYR 446 2.672 -6.442 2.165 135 HH TYR 446 HH TYR 446 3.733 -6.756 5.442 136 H TYR 447 HN TYR 447 3.269 -1.459 -0.614 137 HA TYR 447 HA TYR 447 0.982 -1.185 1.212 138 HB2 TYR 447 HB2 TYR 447 1.302 -0.320 -1.663 139 HB3 TYR 447 HB1 TYR 447 -0.180 -0.151 -0.726 140 HD1 TYR 447 HD2 TYR 447 0.162 1.091 1.602 141 HD2 TYR 447 HD1 TYR 447 2.721 1.501 -1.769 142 HE1 TYR 447 HE2 TYR 447 0.952 3.248 2.483 143 HE2 TYR 447 HE1 TYR 447 3.509 3.665 -0.913 144 HH TYR 447 HH TYR 447 2.928 4.729 2.244 145 H TYR 448 HN TYR 448 -0.460 -2.707 1.353 146 HA TYR 448 HA TYR 448 -0.574 -4.791 -0.727 147 HB2 TYR 448 HB2 TYR 448 0.198 -5.743 1.326 148 HB3 TYR 448 HB1 TYR 448 -1.039 -4.909 2.255 149 HD1 TYR 448 HD1 TYR 448 -0.502 -7.615 -0.229 150 HD2 TYR 448 HD2 TYR 448 -3.148 -5.892 2.625 151 HE1 TYR 448 HE1 TYR 448 -1.956 -9.592 -0.385 152 HE2 TYR 448 HE2 TYR 448 -4.606 -7.862 2.472 153 HH TYR 448 HH TYR 448 -5.101 -9.653 0.836 154 H ASN 449 HN ASN 449 -2.396 -4.879 -1.877 155 HA ASN 449 HA ASN 449 -4.779 -3.437 -0.984 156 HB2 ASN 449 HB2 ASN 449 -4.056 -3.181 -3.328 157 HB3 ASN 449 HB1 ASN 449 -4.225 -4.916 -3.563 158 HD21 ASN 449 HD21 ASN 449 -5.957 -1.907 -3.113 159 HD22 ASN 449 HD22 ASN 449 -7.479 -2.498 -3.674 160 H ASN 450 HN ASN 450 -6.650 -4.383 -0.360 161 HA ASN 450 HA ASN 450 -6.397 -7.174 0.407 162 HB2 ASN 450 HB2 ASN 450 -8.325 -5.005 1.216 163 HB3 ASN 450 HB1 ASN 450 -8.473 -6.671 1.764 164 HD21 ASN 450 HD21 ASN 450 -6.627 -3.733 1.970 165 HD22 ASN 450 HD22 ASN 450 -5.691 -4.186 3.355 166 H ARG 451 HN ARG 451 -7.685 -5.689 -2.274 167 HA ARG 451 HA ARG 451 -9.882 -7.626 -2.454 168 HB2 ARG 451 HB2 ARG 451 -9.291 -5.107 -3.960 169 HB3 ARG 451 HB1 ARG 451 -10.321 -6.337 -4.677 170 HG2 ARG 451 HG2 ARG 451 -11.715 -6.207 -2.567 171 HG3 ARG 451 HG1 ARG 451 -10.784 -4.763 -2.165 172 HD2 ARG 451 HD2 ARG 451 -12.370 -5.155 -4.700 173 HD3 ARG 451 HD1 ARG 451 -12.919 -4.243 -3.295 174 HE ARG 451 HE ARG 451 -10.838 -2.841 -3.729 175 HH11 ARG 451 HH11 ARG 451 -12.674 -4.408 -6.258 176 HH12 ARG 451 HH12 ARG 451 -12.246 -3.237 -7.465 177 HH21 ARG 451 HH21 ARG 451 -10.201 -1.349 -5.309 178 HH22 ARG 451 HH22 ARG 451 -10.808 -1.506 -6.939 179 H THR 452 HN THR 452 -7.022 -6.541 -4.268 180 HA THR 452 HA THR 452 -7.228 -8.874 -6.003 181 HB THR 452 HB THR 452 -5.115 -7.875 -7.019 182 HG1 THR 452 HG1 THR 452 -4.527 -5.830 -6.368 183 HG21 THR 452 HG21 THR 452 -6.335 -6.093 -8.183 184 HG22 THR 452 HG22 THR 452 -7.597 -6.152 -6.952 185 HG23 THR 452 HG23 THR 452 -7.331 -7.538 -8.011 186 H GLU 453 HN GLU 453 -5.748 -7.924 -3.109 187 HA GLU 453 HA GLU 453 -4.270 -8.854 -1.682 188 HB2 GLU 453 HB2 GLU 453 -4.591 -11.345 -3.367 189 HB3 GLU 453 HB1 GLU 453 -3.915 -11.271 -1.745 190 HG2 GLU 453 HG2 GLU 453 -6.075 -10.519 -0.882 191 HG3 GLU 453 HG1 GLU 453 -6.749 -10.607 -2.509 192 H GLU 454 HN GLU 454 -2.938 -7.263 -2.975 193 HA GLU 454 HA GLU 454 -0.555 -8.677 -3.950 194 HB2 GLU 454 HB2 GLU 454 -0.268 -7.090 -5.764 195 HB3 GLU 454 HB1 GLU 454 -1.835 -7.871 -5.906 196 HG2 GLU 454 HG2 GLU 454 -2.896 -5.889 -4.923 197 HG3 GLU 454 HG1 GLU 454 -1.318 -5.108 -4.833 198 H SER 455 HN SER 455 1.376 -7.761 -3.391 199 HA SER 455 HA SER 455 1.226 -5.350 -1.717 200 HB2 SER 455 HB2 SER 455 3.303 -6.384 -0.589 201 HB3 SER 455 HB1 SER 455 1.733 -7.095 -0.216 202 HG SER 455 HG SER 455 2.309 -8.880 -1.183 203 H THR 456 HN THR 456 2.151 -3.689 -2.696 204 HA THR 456 HA THR 456 4.546 -4.148 -4.330 205 HB THR 456 HB THR 456 2.663 -4.004 -5.873 206 HG1 THR 456 HG1 THR 456 4.063 -2.999 -7.073 207 HG21 THR 456 HG21 THR 456 1.111 -2.703 -4.517 208 HG22 THR 456 HG22 THR 456 1.356 -1.932 -6.082 209 HG23 THR 456 HG23 THR 456 2.157 -1.291 -4.648 210 H TRP 457 HN TRP 457 5.975 -2.414 -4.508 211 HA TRP 457 HA TRP 457 5.827 -0.520 -2.312 212 HB2 TRP 457 HB2 TRP 457 8.005 -1.017 -4.358 213 HB3 TRP 457 HB1 TRP 457 8.139 0.055 -2.965 214 HD1 TRP 457 HD1 TRP 457 8.076 -3.654 -3.896 215 HE1 TRP 457 HE1 TRP 457 8.917 -5.027 -1.885 216 HE3 TRP 457 HE3 TRP 457 8.297 0.081 -0.418 217 HZ2 TRP 457 HZ2 TRP 457 9.590 -4.565 0.834 218 HZ3 TRP 457 HZ3 TRP 457 9.036 -0.469 1.855 219 HH2 TRP 457 HH2 TRP 457 9.676 -2.726 2.474 220 H GLU 458 HN GLU 458 4.729 -0.627 -5.416 221 HA GLU 458 HA GLU 458 5.170 2.147 -6.094 222 HB2 GLU 458 HB2 GLU 458 4.933 0.339 -7.818 223 HB3 GLU 458 HB1 GLU 458 3.249 0.167 -7.344 224 HG2 GLU 458 HG2 GLU 458 3.570 1.530 -9.373 225 HG3 GLU 458 HG1 GLU 458 2.758 2.397 -8.070 226 H LYS 459 HN LYS 459 3.709 3.802 -5.855 227 HA LYS 459 HA LYS 459 2.023 3.504 -3.565 228 HB2 LYS 459 HB2 LYS 459 3.456 5.546 -4.370 229 HB3 LYS 459 HB1 LYS 459 2.016 5.952 -5.290 230 HG2 LYS 459 HG2 LYS 459 0.704 6.092 -3.272 231 HG3 LYS 459 HG1 LYS 459 2.077 5.540 -2.307 232 HD2 LYS 459 HD2 LYS 459 3.311 7.572 -3.312 233 HD3 LYS 459 HD1 LYS 459 1.698 8.148 -3.734 234 HE2 LYS 459 HE2 LYS 459 2.594 7.400 -0.954 235 HE3 LYS 459 HE1 LYS 459 2.531 9.043 -1.587 236 HZ1 LYS 459 HZ1 LYS 459 0.186 7.242 -1.354 237 HZ2 LYS 459 HZ2 LYS 459 0.164 8.865 -1.832 238 HZ3 LYS 459 HZ3 LYS 459 0.585 8.452 -0.241 239 HA PRO 460 HA PRO 460 -1.656 2.000 -5.628 240 HB2 PRO 460 HB2 PRO 460 -3.098 3.164 -3.422 241 HB3 PRO 460 HB1 PRO 460 -2.807 1.463 -3.774 242 HG2 PRO 460 HG2 PRO 460 -1.416 3.231 -1.903 243 HG3 PRO 460 HG1 PRO 460 -1.415 1.466 -1.989 244 HD2 PRO 460 HD2 PRO 460 0.730 2.999 -2.626 245 HD3 PRO 460 HD1 PRO 460 0.412 1.414 -3.362 246 H GLN 461 HN GLN 461 -2.891 2.917 -7.074 247 HA GLN 461 HA GLN 461 -3.039 5.618 -7.691 248 HB2 GLN 461 HB2 GLN 461 -3.684 3.819 -9.209 249 HB3 GLN 461 HB1 GLN 461 -5.053 3.427 -8.198 250 HG2 GLN 461 HG2 GLN 461 -6.037 5.611 -8.674 251 HG3 GLN 461 HG1 GLN 461 -4.665 5.996 -9.714 252 HE21 GLN 461 HE21 GLN 461 -7.464 3.946 -9.295 253 HE22 GLN 461 HE22 GLN 461 -7.604 3.473 -10.962 254 H GLU 462 HN GLU 462 -5.217 3.631 -5.803 255 HA GLU 462 HA GLU 462 -7.204 5.591 -5.330 256 HB2 GLU 462 HB2 GLU 462 -6.633 3.277 -3.496 257 HB3 GLU 462 HB1 GLU 462 -8.178 4.035 -3.850 258 HG2 GLU 462 HG2 GLU 462 -6.552 2.349 -5.721 259 HG3 GLU 462 HG1 GLU 462 -8.028 1.861 -4.891 260 H LEU 463 HN LEU 463 -4.104 5.596 -4.233 261 HA LEU 463 HA LEU 463 -4.752 7.080 -1.803 262 HB2 LEU 463 HB2 LEU 463 -4.506 4.554 -1.382 263 HB3 LEU 463 HB1 LEU 463 -2.810 4.792 -1.749 264 HG LEU 463 HG LEU 463 -2.647 6.411 0.121 265 HD11 LEU 463 HD11 LEU 463 -4.981 7.114 0.183 266 HD12 LEU 463 HD12 LEU 463 -4.453 6.521 1.757 267 HD13 LEU 463 HD13 LEU 463 -5.459 5.506 0.724 268 HD21 LEU 463 HD21 LEU 463 -2.023 4.072 0.417 269 HD22 LEU 463 HD22 LEU 463 -3.682 3.679 0.868 270 HD23 LEU 463 HD23 LEU 463 -2.715 4.739 1.896 271 H LYS 464 HN LYS 464 -3.616 7.700 -4.427 272 HA LYS 464 HA LYS 464 -0.787 7.889 -4.229 273 HB2 LYS 464 HB2 LYS 464 -0.989 9.332 -6.249 274 HB3 LYS 464 HB1 LYS 464 -1.778 7.771 -6.404 275 HG2 LYS 464 HG2 LYS 464 -3.888 8.676 -6.404 276 HG3 LYS 464 HG1 LYS 464 -3.384 10.124 -5.533 277 HD2 LYS 464 HD2 LYS 464 -2.815 9.447 -8.414 278 HD3 LYS 464 HD1 LYS 464 -3.871 10.726 -7.809 279 HE2 LYS 464 HE2 LYS 464 -0.872 10.544 -7.518 280 HE3 LYS 464 HE1 LYS 464 -1.775 11.696 -8.501 281 HZ1 LYS 464 HZ1 LYS 464 -2.042 11.526 -5.543 282 HZ2 LYS 464 HZ2 LYS 464 -2.598 12.763 -6.568 283 HZ3 LYS 464 HZ3 LYS 464 -0.937 12.551 -6.319 Start of MODEL 6 1 H1 GLY 428 HT1 GLY 428 -18.478 -9.120 5.094 2 H2 GLY 428 HT2 GLY 428 -19.594 -7.855 5.285 3 H3 GLY 428 HT3 GLY 428 -19.470 -9.061 6.466 4 HA2 GLY 428 HA1 GLY 428 -18.389 -7.075 7.242 5 HA3 GLY 428 HA2 GLY 428 -17.220 -8.364 6.987 6 H ALA 429 HN ALA 429 -18.391 -5.285 5.893 7 HA ALA 429 HA ALA 429 -15.994 -5.058 4.185 8 HB1 ALA 429 HB1 ALA 429 -18.037 -5.035 2.846 9 HB2 ALA 429 HB2 ALA 429 -17.226 -3.469 2.799 10 HB3 ALA 429 HB3 ALA 429 -18.655 -3.690 3.807 11 H THR 430 HN THR 430 -14.664 -4.172 5.708 12 HA THR 430 HA THR 430 -15.450 -2.038 7.431 13 HB THR 430 HB THR 430 -12.644 -2.918 6.736 14 HG1 THR 430 HG1 THR 430 -12.891 -4.388 8.481 15 HG21 THR 430 HG21 THR 430 -12.124 -2.109 9.000 16 HG22 THR 430 HG22 THR 430 -13.801 -1.601 9.198 17 HG23 THR 430 HG23 THR 430 -12.779 -0.819 7.992 18 H ALA 431 HN ALA 431 -15.409 0.100 7.049 19 HA ALA 431 HA ALA 431 -14.773 1.032 4.406 20 HB1 ALA 431 HB1 ALA 431 -15.618 2.594 6.843 21 HB2 ALA 431 HB2 ALA 431 -16.699 1.919 5.624 22 HB3 ALA 431 HB3 ALA 431 -15.567 3.198 5.186 23 H VAL 432 HN VAL 432 -12.570 0.729 4.165 24 HA VAL 432 HA VAL 432 -10.897 2.784 5.384 25 HB VAL 432 HB VAL 432 -9.036 1.135 5.673 26 HG11 VAL 432 HG11 VAL 432 -9.829 0.203 7.806 27 HG12 VAL 432 HG12 VAL 432 -11.478 0.660 7.378 28 HG13 VAL 432 HG13 VAL 432 -10.253 1.906 7.621 29 HG21 VAL 432 HG21 VAL 432 -11.228 -0.911 5.345 30 HG22 VAL 432 HG22 VAL 432 -9.572 -1.247 5.850 31 HG23 VAL 432 HG23 VAL 432 -9.892 -0.633 4.227 32 H SER 433 HN SER 433 -8.727 2.721 4.290 33 HA SER 433 HA SER 433 -8.897 2.966 1.511 34 HB2 SER 433 HB2 SER 433 -6.369 2.854 1.597 35 HB3 SER 433 HB1 SER 433 -7.089 4.037 2.690 36 HG SER 433 HG SER 433 -5.804 1.610 3.254 37 H GLU 434 HN GLU 434 -8.207 1.587 -0.194 38 HA GLU 434 HA GLU 434 -8.884 -1.153 0.311 39 HB2 GLU 434 HB2 GLU 434 -9.460 0.028 -1.803 40 HB3 GLU 434 HB1 GLU 434 -7.754 0.061 -2.211 41 HG2 GLU 434 HG2 GLU 434 -7.669 -2.161 -2.654 42 HG3 GLU 434 HG1 GLU 434 -8.987 -2.547 -1.550 43 H TRP 435 HN TRP 435 -5.991 0.675 0.176 44 HA TRP 435 HA TRP 435 -4.456 -1.819 0.287 45 HB2 TRP 435 HB2 TRP 435 -3.390 0.953 -0.260 46 HB3 TRP 435 HB1 TRP 435 -2.475 -0.563 -0.237 47 HD1 TRP 435 HD1 TRP 435 -5.467 0.949 -2.225 48 HE1 TRP 435 HE1 TRP 435 -5.289 0.159 -4.663 49 HE3 TRP 435 HE3 TRP 435 -1.354 -2.063 -1.810 50 HZ2 TRP 435 HZ2 TRP 435 -3.632 -1.506 -6.207 51 HZ3 TRP 435 HZ3 TRP 435 -0.547 -3.224 -3.822 52 HH2 TRP 435 HH2 TRP 435 -1.659 -2.950 -5.974 53 H THR 436 HN THR 436 -2.917 -2.077 1.790 54 HA THR 436 HA THR 436 -3.166 -0.447 4.224 55 HB THR 436 HB THR 436 -2.762 -3.405 3.886 56 HG1 THR 436 HG1 THR 436 -4.939 -2.234 3.565 57 HG21 THR 436 HG21 THR 436 -1.660 -2.576 5.910 58 HG22 THR 436 HG22 THR 436 -3.081 -3.532 6.333 59 HG23 THR 436 HG23 THR 436 -3.150 -1.773 6.402 60 H GLU 437 HN GLU 437 -1.224 0.204 5.106 61 HA GLU 437 HA GLU 437 1.181 -0.719 3.699 62 HB2 GLU 437 HB2 GLU 437 2.136 1.430 3.939 63 HB3 GLU 437 HB1 GLU 437 0.489 1.681 3.395 64 HG2 GLU 437 HG2 GLU 437 1.580 2.089 6.160 65 HG3 GLU 437 HG1 GLU 437 1.034 3.324 5.037 66 H TYR 438 HN TYR 438 2.785 -1.605 4.775 67 HA TYR 438 HA TYR 438 2.915 -1.286 7.704 68 HB2 TYR 438 HB2 TYR 438 3.422 -3.814 6.121 69 HB3 TYR 438 HB1 TYR 438 3.803 -3.621 7.822 70 HD1 TYR 438 HD1 TYR 438 1.830 -3.031 9.392 71 HD2 TYR 438 HD2 TYR 438 1.342 -4.639 5.481 72 HE1 TYR 438 HE1 TYR 438 -0.422 -3.810 9.998 73 HE2 TYR 438 HE2 TYR 438 -0.913 -5.416 6.077 74 HH TYR 438 HH TYR 438 -2.190 -5.999 8.090 75 H LYS 439 HN LYS 439 4.918 -0.807 8.489 76 HA LYS 439 HA LYS 439 6.988 -0.340 6.483 77 HB2 LYS 439 HB2 LYS 439 6.324 1.392 8.250 78 HB3 LYS 439 HB1 LYS 439 7.155 0.373 9.415 79 HG2 LYS 439 HG2 LYS 439 8.747 1.969 8.855 80 HG3 LYS 439 HG1 LYS 439 9.189 0.590 7.854 81 HD2 LYS 439 HD2 LYS 439 9.354 2.459 6.394 82 HD3 LYS 439 HD1 LYS 439 7.861 1.672 5.954 83 HE2 LYS 439 HE2 LYS 439 7.517 4.073 6.075 84 HE3 LYS 439 HE1 LYS 439 6.590 3.290 7.352 85 HZ1 LYS 439 HZ1 LYS 439 9.269 4.473 7.810 86 HZ2 LYS 439 HZ2 LYS 439 8.124 3.998 8.971 87 HZ3 LYS 439 HZ3 LYS 439 7.831 5.353 7.995 88 H THR 440 HN THR 440 8.376 -1.820 6.080 89 HA THR 440 HA THR 440 8.700 -4.120 7.817 90 HB THR 440 HB THR 440 10.093 -4.898 5.765 91 HG1 THR 440 HG1 THR 440 10.272 -3.387 4.288 92 HG21 THR 440 HG21 THR 440 7.125 -4.414 5.505 93 HG22 THR 440 HG22 THR 440 7.877 -5.776 6.336 94 HG23 THR 440 HG23 THR 440 8.062 -5.593 4.590 95 H ALA 441 HN ALA 441 10.733 -4.941 8.427 96 HA ALA 441 HA ALA 441 12.442 -3.245 9.702 97 HB1 ALA 441 HB1 ALA 441 13.976 -5.096 9.906 98 HB2 ALA 441 HB2 ALA 441 13.186 -5.924 8.563 99 HB3 ALA 441 HB3 ALA 441 12.311 -5.653 10.070 100 H ASP 442 HN ASP 442 12.504 -3.791 6.263 101 HA ASP 442 HA ASP 442 15.210 -2.920 5.878 102 HB2 ASP 442 HB2 ASP 442 14.632 -2.671 3.512 103 HB3 ASP 442 HB1 ASP 442 14.071 -4.219 4.131 104 H GLY 443 HN GLY 443 12.560 -1.375 7.013 105 HA2 GLY 443 HA2 GLY 443 12.671 0.778 7.898 106 HA3 GLY 443 HA1 GLY 443 13.943 1.164 6.757 107 H LYS 444 HN LYS 444 11.057 -0.286 5.394 108 HA LYS 444 HA LYS 444 9.730 2.309 5.192 109 HB2 LYS 444 HB2 LYS 444 9.820 0.859 2.798 110 HB3 LYS 444 HB1 LYS 444 9.666 2.541 2.992 111 HG2 LYS 444 HG2 LYS 444 12.051 2.773 3.411 112 HG3 LYS 444 HG1 LYS 444 12.261 1.030 3.224 113 HD2 LYS 444 HD2 LYS 444 10.879 2.135 0.954 114 HD3 LYS 444 HD1 LYS 444 12.401 2.987 1.235 115 HE2 LYS 444 HE2 LYS 444 12.715 1.088 -0.262 116 HE3 LYS 444 HE1 LYS 444 13.601 0.869 1.246 117 HZ1 LYS 444 HZ1 LYS 444 12.372 -1.125 0.409 118 HZ2 LYS 444 HZ2 LYS 444 10.930 -0.316 0.769 119 HZ3 LYS 444 HZ3 LYS 444 12.020 -0.690 2.012 120 H THR 445 HN THR 445 7.731 2.126 3.763 121 HA THR 445 HA THR 445 6.196 -0.169 4.712 122 HB THR 445 HB THR 445 4.269 1.306 3.770 123 HG1 THR 445 HG1 THR 445 4.847 3.560 3.835 124 HG21 THR 445 HG21 THR 445 5.806 2.168 6.221 125 HG22 THR 445 HG22 THR 445 4.597 0.885 6.153 126 HG23 THR 445 HG23 THR 445 4.123 2.560 5.866 127 H TYR 446 HN TYR 446 5.075 -1.494 3.458 128 HA TYR 446 HA TYR 446 5.229 -1.123 0.544 129 HB2 TYR 446 HB2 TYR 446 5.258 -3.482 0.246 130 HB3 TYR 446 HB1 TYR 446 6.434 -3.158 1.495 131 HD1 TYR 446 HD1 TYR 446 6.050 -3.852 3.800 132 HD2 TYR 446 HD2 TYR 446 3.179 -4.662 0.765 133 HE1 TYR 446 HE1 TYR 446 4.938 -5.461 5.287 134 HE2 TYR 446 HE2 TYR 446 2.060 -6.272 2.247 135 HH TYR 446 HH TYR 446 2.863 -6.550 5.596 136 H TYR 447 HN TYR 447 3.281 -1.623 -0.629 137 HA TYR 447 HA TYR 447 0.932 -1.158 1.078 138 HB2 TYR 447 HB2 TYR 447 1.282 -0.483 -1.850 139 HB3 TYR 447 HB1 TYR 447 -0.069 -0.019 -0.814 140 HD1 TYR 447 HD2 TYR 447 0.778 1.194 1.459 141 HD2 TYR 447 HD1 TYR 447 2.844 1.167 -2.259 142 HE1 TYR 447 HE2 TYR 447 1.989 3.224 2.135 143 HE2 TYR 447 HE1 TYR 447 4.061 3.200 -1.603 144 HH TYR 447 HH TYR 447 4.048 4.410 1.597 145 H TYR 448 HN TYR 448 -0.431 -2.737 1.302 146 HA TYR 448 HA TYR 448 -0.491 -4.905 -0.690 147 HB2 TYR 448 HB2 TYR 448 0.207 -5.640 1.501 148 HB3 TYR 448 HB1 TYR 448 -1.162 -4.840 2.261 149 HD1 TYR 448 HD1 TYR 448 -0.152 -7.701 0.145 150 HD2 TYR 448 HD2 TYR 448 -3.273 -5.924 2.423 151 HE1 TYR 448 HE1 TYR 448 -1.403 -9.815 0.070 152 HE2 TYR 448 HE2 TYR 448 -4.540 -8.029 2.347 153 HH TYR 448 HH TYR 448 -4.665 -10.069 0.981 154 H ASN 449 HN ASN 449 -2.283 -5.135 -1.891 155 HA ASN 449 HA ASN 449 -4.664 -3.571 -1.208 156 HB2 ASN 449 HB2 ASN 449 -3.870 -3.579 -3.558 157 HB3 ASN 449 HB1 ASN 449 -4.120 -5.321 -3.627 158 HD21 ASN 449 HD21 ASN 449 -5.643 -2.199 -3.647 159 HD22 ASN 449 HD22 ASN 449 -7.225 -2.754 -4.067 160 H ASN 450 HN ASN 450 -6.544 -4.436 -0.512 161 HA ASN 450 HA ASN 450 -6.282 -7.038 0.690 162 HB2 ASN 450 HB2 ASN 450 -8.443 -4.944 0.840 163 HB3 ASN 450 HB1 ASN 450 -8.488 -6.460 1.733 164 HD21 ASN 450 HD21 ASN 450 -8.307 -3.611 2.569 165 HD22 ASN 450 HD22 ASN 450 -6.923 -3.554 3.607 166 H ARG 451 HN ARG 451 -7.927 -5.780 -2.097 167 HA ARG 451 HA ARG 451 -9.764 -8.024 -2.193 168 HB2 ARG 451 HB2 ARG 451 -9.335 -5.661 -3.990 169 HB3 ARG 451 HB1 ARG 451 -10.303 -7.031 -4.517 170 HG2 ARG 451 HG2 ARG 451 -11.681 -6.711 -2.434 171 HG3 ARG 451 HG1 ARG 451 -10.817 -5.189 -2.201 172 HD2 ARG 451 HD2 ARG 451 -12.442 -5.946 -4.628 173 HD3 ARG 451 HD1 ARG 451 -12.954 -4.848 -3.348 174 HE ARG 451 HE ARG 451 -11.067 -3.397 -4.031 175 HH11 ARG 451 HH11 ARG 451 -12.386 -5.718 -6.307 176 HH12 ARG 451 HH12 ARG 451 -11.843 -4.835 -7.703 177 HH21 ARG 451 HH21 ARG 451 -10.288 -2.286 -5.846 178 HH22 ARG 451 HH22 ARG 451 -10.634 -2.892 -7.448 179 H THR 452 HN THR 452 -7.156 -6.821 -4.337 180 HA THR 452 HA THR 452 -7.098 -9.298 -5.795 181 HB THR 452 HB THR 452 -4.971 -8.321 -6.776 182 HG1 THR 452 HG1 THR 452 -4.345 -6.326 -6.180 183 HG21 THR 452 HG21 THR 452 -6.154 -6.604 -8.072 184 HG22 THR 452 HG22 THR 452 -7.472 -6.631 -6.900 185 HG23 THR 452 HG23 THR 452 -7.134 -8.057 -7.883 186 H GLU 453 HN GLU 453 -5.622 -7.992 -3.017 187 HA GLU 453 HA GLU 453 -4.177 -8.736 -1.479 188 HB2 GLU 453 HB2 GLU 453 -4.652 -11.457 -2.695 189 HB3 GLU 453 HB1 GLU 453 -3.982 -11.130 -1.100 190 HG2 GLU 453 HG2 GLU 453 -6.096 -10.019 -0.477 191 HG3 GLU 453 HG1 GLU 453 -6.762 -10.466 -2.045 192 H GLU 454 HN GLU 454 -2.670 -7.469 -2.643 193 HA GLU 454 HA GLU 454 -0.368 -9.057 -3.506 194 HB2 GLU 454 HB2 GLU 454 -0.015 -7.673 -5.497 195 HB3 GLU 454 HB1 GLU 454 -1.567 -8.494 -5.579 196 HG2 GLU 454 HG2 GLU 454 -2.669 -6.422 -4.827 197 HG3 GLU 454 HG1 GLU 454 -1.105 -5.611 -4.847 198 H SER 455 HN SER 455 1.624 -8.037 -3.147 199 HA SER 455 HA SER 455 1.448 -5.559 -1.555 200 HB2 SER 455 HB2 SER 455 3.727 -7.543 -1.451 201 HB3 SER 455 HB1 SER 455 3.337 -6.271 -0.299 202 HG SER 455 HG SER 455 1.593 -8.454 -0.821 203 H THR 456 HN THR 456 2.080 -3.830 -2.681 204 HA THR 456 HA THR 456 4.322 -4.143 -4.570 205 HB THR 456 HB THR 456 2.146 -3.699 -5.729 206 HG1 THR 456 HG1 THR 456 3.022 -2.047 -7.044 207 HG21 THR 456 HG21 THR 456 1.113 -1.512 -5.561 208 HG22 THR 456 HG22 THR 456 2.313 -1.007 -4.372 209 HG23 THR 456 HG23 THR 456 1.152 -2.269 -3.968 210 H TRP 457 HN TRP 457 5.823 -2.462 -4.682 211 HA TRP 457 HA TRP 457 5.855 -0.707 -2.343 212 HB2 TRP 457 HB2 TRP 457 7.994 -1.380 -4.370 213 HB3 TRP 457 HB1 TRP 457 8.208 -0.212 -3.069 214 HD1 TRP 457 HD1 TRP 457 8.026 -3.975 -3.707 215 HE1 TRP 457 HE1 TRP 457 8.754 -5.216 -1.563 216 HE3 TRP 457 HE3 TRP 457 8.204 0.004 -0.518 217 HZ2 TRP 457 HZ2 TRP 457 9.314 -4.561 1.144 218 HZ3 TRP 457 HZ3 TRP 457 8.802 -0.393 1.820 219 HH2 TRP 457 HH2 TRP 457 9.361 -2.590 2.640 220 H GLU 458 HN GLU 458 4.475 -0.540 -5.187 221 HA GLU 458 HA GLU 458 5.300 2.179 -5.877 222 HB2 GLU 458 HB2 GLU 458 4.998 0.439 -7.647 223 HB3 GLU 458 HB1 GLU 458 3.290 0.377 -7.233 224 HG2 GLU 458 HG2 GLU 458 3.010 2.682 -7.898 225 HG3 GLU 458 HG1 GLU 458 4.737 2.820 -8.228 226 H LYS 459 HN LYS 459 4.045 3.936 -5.533 227 HA LYS 459 HA LYS 459 2.158 3.884 -3.459 228 HB2 LYS 459 HB2 LYS 459 3.649 5.806 -4.505 229 HB3 LYS 459 HB1 LYS 459 2.190 6.133 -5.424 230 HG2 LYS 459 HG2 LYS 459 0.947 6.585 -3.450 231 HG3 LYS 459 HG1 LYS 459 2.249 5.978 -2.423 232 HD2 LYS 459 HD2 LYS 459 3.666 7.826 -3.568 233 HD3 LYS 459 HD1 LYS 459 2.105 8.521 -3.997 234 HE2 LYS 459 HE2 LYS 459 2.911 7.813 -1.182 235 HE3 LYS 459 HE1 LYS 459 3.123 9.412 -1.887 236 HZ1 LYS 459 HZ1 LYS 459 0.522 8.012 -1.552 237 HZ2 LYS 459 HZ2 LYS 459 0.740 9.558 -2.208 238 HZ3 LYS 459 HZ3 LYS 459 1.105 9.271 -0.577 239 HA PRO 460 HA PRO 460 -1.332 2.285 -5.705 240 HB2 PRO 460 HB2 PRO 460 -2.844 3.234 -3.351 241 HB3 PRO 460 HB1 PRO 460 -2.710 1.607 -4.021 242 HG2 PRO 460 HG2 PRO 460 -1.486 2.252 -1.746 243 HG3 PRO 460 HG1 PRO 460 -0.714 1.178 -2.929 244 HD2 PRO 460 HD2 PRO 460 -0.221 4.088 -2.409 245 HD3 PRO 460 HD1 PRO 460 0.947 2.783 -2.711 246 H GLN 461 HN GLN 461 -3.241 2.963 -6.682 247 HA GLN 461 HA GLN 461 -3.211 5.625 -7.615 248 HB2 GLN 461 HB2 GLN 461 -4.127 3.497 -8.718 249 HB3 GLN 461 HB1 GLN 461 -5.579 3.787 -7.790 250 HG2 GLN 461 HG2 GLN 461 -5.923 4.679 -9.959 251 HG3 GLN 461 HG1 GLN 461 -5.743 6.029 -8.844 252 HE21 GLN 461 HE21 GLN 461 -5.366 5.859 -11.742 253 HE22 GLN 461 HE22 GLN 461 -3.751 6.416 -12.045 254 H GLU 462 HN GLU 462 -5.061 4.007 -5.135 255 HA GLU 462 HA GLU 462 -6.712 6.376 -4.709 256 HB2 GLU 462 HB2 GLU 462 -7.898 4.934 -3.031 257 HB3 GLU 462 HB1 GLU 462 -7.953 4.350 -4.684 258 HG2 GLU 462 HG2 GLU 462 -7.555 2.423 -3.519 259 HG3 GLU 462 HG1 GLU 462 -5.924 2.902 -3.974 260 H LEU 463 HN LEU 463 -3.737 5.585 -3.863 261 HA LEU 463 HA LEU 463 -3.909 6.967 -1.267 262 HB2 LEU 463 HB2 LEU 463 -3.489 4.475 -1.091 263 HB3 LEU 463 HB1 LEU 463 -1.971 4.746 -1.921 264 HG LEU 463 HG LEU 463 -1.246 6.218 -0.062 265 HD11 LEU 463 HD11 LEU 463 -2.509 6.190 2.033 266 HD12 LEU 463 HD12 LEU 463 -3.800 5.283 1.242 267 HD13 LEU 463 HD13 LEU 463 -3.435 6.930 0.728 268 HD21 LEU 463 HD21 LEU 463 -0.593 3.879 -0.088 269 HD22 LEU 463 HD22 LEU 463 -2.092 3.434 0.729 270 HD23 LEU 463 HD23 LEU 463 -0.890 4.417 1.566 271 H LYS 464 HN LYS 464 -3.269 7.670 -4.151 272 HA LYS 464 HA LYS 464 -0.516 8.189 -4.395 273 HB2 LYS 464 HB2 LYS 464 -1.025 9.443 -6.336 274 HB3 LYS 464 HB1 LYS 464 -2.225 8.164 -6.276 275 HG2 LYS 464 HG2 LYS 464 -2.696 10.998 -5.369 276 HG3 LYS 464 HG1 LYS 464 -3.138 10.356 -6.950 277 HD2 LYS 464 HD2 LYS 464 -4.771 8.939 -6.042 278 HD3 LYS 464 HD1 LYS 464 -4.112 9.089 -4.410 279 HE2 LYS 464 HE2 LYS 464 -5.520 11.237 -5.989 280 HE3 LYS 464 HE1 LYS 464 -6.156 10.367 -4.591 281 HZ1 LYS 464 HZ1 LYS 464 -5.380 12.296 -3.641 282 HZ2 LYS 464 HZ2 LYS 464 -4.068 12.432 -4.704 283 HZ3 LYS 464 HZ3 LYS 464 -4.026 11.287 -3.456 Start of MODEL 7 1 H1 GLY 428 HT1 GLY 428 3.598 10.605 7.477 2 H2 GLY 428 HT2 GLY 428 3.680 11.906 8.558 3 H3 GLY 428 HT3 GLY 428 3.849 12.173 6.886 4 HA2 GLY 428 HA1 GLY 428 1.400 11.279 8.301 5 HA3 GLY 428 HA2 GLY 428 1.661 12.851 7.552 6 H ALA 429 HN ALA 429 -0.478 11.873 6.615 7 HA ALA 429 HA ALA 429 -1.613 11.202 4.773 8 HB1 ALA 429 HB1 ALA 429 -0.045 12.634 3.550 9 HB2 ALA 429 HB2 ALA 429 -0.510 11.220 2.604 10 HB3 ALA 429 HB3 ALA 429 1.068 11.276 3.390 11 H THR 430 HN THR 430 -2.066 9.261 5.874 12 HA THR 430 HA THR 430 -1.198 6.922 4.437 13 HB THR 430 HB THR 430 0.597 6.962 6.031 14 HG1 THR 430 HG1 THR 430 -0.946 4.941 5.804 15 HG21 THR 430 HG21 THR 430 0.229 7.011 8.460 16 HG22 THR 430 HG22 THR 430 -1.496 7.256 8.185 17 HG23 THR 430 HG23 THR 430 -0.338 8.484 7.676 18 H ALA 431 HN ALA 431 -2.954 5.711 4.149 19 HA ALA 431 HA ALA 431 -5.010 5.541 6.175 20 HB1 ALA 431 HB1 ALA 431 -5.638 6.740 3.476 21 HB2 ALA 431 HB2 ALA 431 -5.592 7.622 5.002 22 HB3 ALA 431 HB3 ALA 431 -6.800 6.363 4.747 23 H VAL 432 HN VAL 432 -6.027 3.632 6.080 24 HA VAL 432 HA VAL 432 -5.187 1.730 4.090 25 HB VAL 432 HB VAL 432 -7.202 1.321 6.309 26 HG11 VAL 432 HG11 VAL 432 -7.296 -0.394 4.582 27 HG12 VAL 432 HG12 VAL 432 -6.619 -1.049 6.073 28 HG13 VAL 432 HG13 VAL 432 -5.556 -0.651 4.723 29 HG21 VAL 432 HG21 VAL 432 -5.082 2.093 7.228 30 HG22 VAL 432 HG22 VAL 432 -4.223 0.845 6.325 31 HG23 VAL 432 HG23 VAL 432 -5.345 0.392 7.606 32 H SER 433 HN SER 433 -6.182 3.071 2.347 33 HA SER 433 HA SER 433 -9.054 2.565 2.052 34 HB2 SER 433 HB2 SER 433 -8.804 4.049 0.009 35 HB3 SER 433 HB1 SER 433 -8.470 4.840 1.551 36 HG SER 433 HG SER 433 -6.551 3.799 -0.267 37 H GLU 434 HN GLU 434 -9.070 0.410 1.637 38 HA GLU 434 HA GLU 434 -9.061 -1.498 0.425 39 HB2 GLU 434 HB2 GLU 434 -9.604 -0.046 -1.528 40 HB3 GLU 434 HB1 GLU 434 -7.891 0.104 -1.851 41 HG2 GLU 434 HG2 GLU 434 -7.690 -2.116 -2.465 42 HG3 GLU 434 HG1 GLU 434 -9.205 -2.572 -1.696 43 H TRP 435 HN TRP 435 -6.179 0.431 0.447 44 HA TRP 435 HA TRP 435 -4.587 -2.033 0.405 45 HB2 TRP 435 HB2 TRP 435 -3.595 0.793 0.044 46 HB3 TRP 435 HB1 TRP 435 -2.666 -0.703 -0.101 47 HD1 TRP 435 HD1 TRP 435 -5.700 1.001 -1.876 48 HE1 TRP 435 HE1 TRP 435 -5.570 0.449 -4.382 49 HE3 TRP 435 HE3 TRP 435 -1.612 -2.083 -1.817 50 HZ2 TRP 435 HZ2 TRP 435 -3.946 -1.071 -6.104 51 HZ3 TRP 435 HZ3 TRP 435 -0.847 -3.043 -3.946 52 HH2 TRP 435 HH2 TRP 435 -1.985 -2.549 -6.044 53 H THR 436 HN THR 436 -3.049 -2.328 1.899 54 HA THR 436 HA THR 436 -3.287 -0.774 4.383 55 HB THR 436 HB THR 436 -2.662 -3.675 3.946 56 HG1 THR 436 HG1 THR 436 -5.057 -2.401 4.827 57 HG21 THR 436 HG21 THR 436 -2.994 -3.898 6.386 58 HG22 THR 436 HG22 THR 436 -3.217 -2.151 6.498 59 HG23 THR 436 HG23 THR 436 -1.659 -2.811 6.000 60 H GLU 437 HN GLU 437 -1.358 0.034 5.162 61 HA GLU 437 HA GLU 437 1.060 -0.846 3.738 62 HB2 GLU 437 HB2 GLU 437 1.958 1.358 3.877 63 HB3 GLU 437 HB1 GLU 437 0.331 1.487 3.238 64 HG2 GLU 437 HG2 GLU 437 1.035 1.971 6.106 65 HG3 GLU 437 HG1 GLU 437 0.989 3.235 4.888 66 H TYR 438 HN TYR 438 2.697 -1.590 4.836 67 HA TYR 438 HA TYR 438 2.923 -1.040 7.724 68 HB2 TYR 438 HB2 TYR 438 3.533 -3.655 6.323 69 HB3 TYR 438 HB1 TYR 438 3.863 -3.314 8.011 70 HD1 TYR 438 HD1 TYR 438 1.871 -2.833 9.537 71 HD2 TYR 438 HD2 TYR 438 1.479 -4.545 5.661 72 HE1 TYR 438 HE1 TYR 438 -0.335 -3.720 10.158 73 HE2 TYR 438 HE2 TYR 438 -0.730 -5.432 6.267 74 HH TYR 438 HH TYR 438 -2.006 -6.013 8.223 75 H LYS 439 HN LYS 439 4.942 -0.372 8.344 76 HA LYS 439 HA LYS 439 6.964 -0.171 6.254 77 HB2 LYS 439 HB2 LYS 439 6.408 1.763 7.815 78 HB3 LYS 439 HB1 LYS 439 7.191 0.845 9.092 79 HG2 LYS 439 HG2 LYS 439 8.897 2.220 8.405 80 HG3 LYS 439 HG1 LYS 439 9.208 0.777 7.445 81 HD2 LYS 439 HD2 LYS 439 9.458 2.546 5.899 82 HD3 LYS 439 HD1 LYS 439 7.882 1.898 5.548 83 HE2 LYS 439 HE2 LYS 439 7.808 4.342 5.613 84 HE3 LYS 439 HE1 LYS 439 6.816 3.674 6.908 85 HZ1 LYS 439 HZ1 LYS 439 8.134 5.544 7.680 86 HZ2 LYS 439 HZ2 LYS 439 9.564 4.765 7.215 87 HZ3 LYS 439 HZ3 LYS 439 8.615 4.121 8.465 88 H THR 440 HN THR 440 8.337 -1.690 5.966 89 HA THR 440 HA THR 440 8.723 -3.767 7.952 90 HB THR 440 HB THR 440 10.103 -4.753 5.956 91 HG1 THR 440 HG1 THR 440 10.177 -3.149 4.480 92 HG21 THR 440 HG21 THR 440 8.061 -5.708 5.012 93 HG22 THR 440 HG22 THR 440 7.103 -4.457 5.801 94 HG23 THR 440 HG23 THR 440 7.970 -5.650 6.772 95 H ALA 441 HN ALA 441 10.787 -4.511 8.567 96 HA ALA 441 HA ALA 441 12.398 -2.647 9.722 97 HB1 ALA 441 HB1 ALA 441 12.370 -5.011 10.308 98 HB2 ALA 441 HB2 ALA 441 14.016 -4.412 10.096 99 HB3 ALA 441 HB3 ALA 441 13.263 -5.388 8.835 100 H ASP 442 HN ASP 442 12.560 -3.466 6.348 101 HA ASP 442 HA ASP 442 15.267 -2.564 5.968 102 HB2 ASP 442 HB2 ASP 442 14.899 -2.828 3.642 103 HB3 ASP 442 HB1 ASP 442 13.993 -4.128 4.407 104 H GLY 443 HN GLY 443 12.508 -1.021 6.816 105 HA2 GLY 443 HA2 GLY 443 12.502 1.216 7.462 106 HA3 GLY 443 HA1 GLY 443 13.803 1.534 6.334 107 H LYS 444 HN LYS 444 10.906 -0.148 5.187 108 HA LYS 444 HA LYS 444 9.624 2.402 4.535 109 HB2 LYS 444 HB2 LYS 444 9.645 0.513 2.491 110 HB3 LYS 444 HB1 LYS 444 9.502 2.199 2.347 111 HG2 LYS 444 HG2 LYS 444 11.901 2.470 2.588 112 HG3 LYS 444 HG1 LYS 444 12.089 0.728 2.811 113 HD2 LYS 444 HD2 LYS 444 11.127 0.402 0.533 114 HD3 LYS 444 HD1 LYS 444 11.143 2.155 0.327 115 HE2 LYS 444 HE2 LYS 444 13.099 1.226 -0.713 116 HE3 LYS 444 HE1 LYS 444 13.583 2.135 0.716 117 HZ1 LYS 444 HZ1 LYS 444 14.000 -0.605 0.118 118 HZ2 LYS 444 HZ2 LYS 444 13.155 -0.458 1.579 119 HZ3 LYS 444 HZ3 LYS 444 14.647 0.324 1.379 120 H THR 445 HN THR 445 7.538 2.109 3.387 121 HA THR 445 HA THR 445 6.069 -0.147 4.524 122 HB THR 445 HB THR 445 4.041 1.153 3.819 123 HG1 THR 445 HG1 THR 445 5.581 2.480 2.337 124 HG21 THR 445 HG21 THR 445 4.205 2.820 5.611 125 HG22 THR 445 HG22 THR 445 5.946 2.553 5.693 126 HG23 THR 445 HG23 THR 445 4.833 1.252 6.116 127 H TYR 446 HN TYR 446 4.968 -1.589 3.378 128 HA TYR 446 HA TYR 446 4.994 -1.346 0.443 129 HB2 TYR 446 HB2 TYR 446 4.929 -3.747 0.301 130 HB3 TYR 446 HB1 TYR 446 6.232 -3.323 1.383 131 HD1 TYR 446 HD1 TYR 446 6.016 -3.717 3.813 132 HD2 TYR 446 HD2 TYR 446 3.010 -4.979 1.084 133 HE1 TYR 446 HE1 TYR 446 5.086 -5.207 5.535 134 HE2 TYR 446 HE2 TYR 446 2.072 -6.472 2.795 135 HH TYR 446 HH TYR 446 2.935 -6.290 6.065 136 H TYR 447 HN TYR 447 3.028 -1.768 -0.656 137 HA TYR 447 HA TYR 447 0.718 -1.296 1.100 138 HB2 TYR 447 HB2 TYR 447 1.124 -0.549 -1.802 139 HB3 TYR 447 HB1 TYR 447 -0.320 -0.202 -0.852 140 HD1 TYR 447 HD2 TYR 447 -0.013 1.205 1.270 141 HD2 TYR 447 HD1 TYR 447 2.909 0.973 -1.807 142 HE1 TYR 447 HE2 TYR 447 1.017 3.277 2.108 143 HE2 TYR 447 HE1 TYR 447 3.947 3.046 -0.985 144 HH TYR 447 HH TYR 447 3.239 4.388 2.031 145 H TYR 448 HN TYR 448 -0.676 -2.846 1.336 146 HA TYR 448 HA TYR 448 -0.746 -5.038 -0.624 147 HB2 TYR 448 HB2 TYR 448 -0.072 -5.743 1.567 148 HB3 TYR 448 HB1 TYR 448 -1.426 -4.918 2.318 149 HD1 TYR 448 HD2 TYR 448 -0.404 -7.833 0.326 150 HD2 TYR 448 HD1 TYR 448 -3.600 -5.950 2.409 151 HE1 TYR 448 HE2 TYR 448 -1.684 -9.921 0.239 152 HE2 TYR 448 HE1 TYR 448 -4.889 -8.040 2.331 153 HH TYR 448 HH TYR 448 -3.507 -11.011 1.517 154 H ASN 449 HN ASN 449 -2.467 -5.176 -1.894 155 HA ASN 449 HA ASN 449 -4.891 -3.681 -1.226 156 HB2 ASN 449 HB2 ASN 449 -3.974 -3.566 -3.538 157 HB3 ASN 449 HB1 ASN 449 -4.275 -5.287 -3.715 158 HD21 ASN 449 HD21 ASN 449 -5.757 -2.125 -3.506 159 HD22 ASN 449 HD22 ASN 449 -7.306 -2.620 -4.088 160 H ASN 450 HN ASN 450 -6.641 -4.568 -0.411 161 HA ASN 450 HA ASN 450 -6.487 -7.334 0.406 162 HB2 ASN 450 HB2 ASN 450 -8.487 -5.147 1.027 163 HB3 ASN 450 HB1 ASN 450 -8.537 -6.761 1.725 164 HD21 ASN 450 HD21 ASN 450 -6.871 -3.712 1.663 165 HD22 ASN 450 HD22 ASN 450 -5.927 -3.973 3.089 166 H ARG 451 HN ARG 451 -7.499 -6.158 -2.440 167 HA ARG 451 HA ARG 451 -9.763 -8.043 -2.559 168 HB2 ARG 451 HB2 ARG 451 -9.145 -5.616 -4.218 169 HB3 ARG 451 HB1 ARG 451 -10.239 -6.865 -4.795 170 HG2 ARG 451 HG2 ARG 451 -11.569 -6.507 -2.682 171 HG3 ARG 451 HG1 ARG 451 -10.566 -5.080 -2.401 172 HD2 ARG 451 HD2 ARG 451 -12.281 -5.600 -4.832 173 HD3 ARG 451 HD1 ARG 451 -12.659 -4.486 -3.517 174 HE ARG 451 HE ARG 451 -10.683 -3.195 -4.206 175 HH11 ARG 451 HH11 ARG 451 -12.223 -5.327 -6.530 176 HH12 ARG 451 HH12 ARG 451 -11.504 -4.534 -7.904 177 HH21 ARG 451 HH21 ARG 451 -9.717 -2.198 -5.989 178 HH22 ARG 451 HH22 ARG 451 -10.065 -2.776 -7.596 179 H THR 452 HN THR 452 -6.575 -7.470 -3.625 180 HA THR 452 HA THR 452 -6.804 -9.730 -5.496 181 HB THR 452 HB THR 452 -4.718 -8.636 -6.576 182 HG1 THR 452 HG1 THR 452 -4.527 -6.429 -6.222 183 HG21 THR 452 HG21 THR 452 -6.916 -8.794 -7.669 184 HG22 THR 452 HG22 THR 452 -6.118 -7.266 -8.039 185 HG23 THR 452 HG23 THR 452 -7.424 -7.315 -6.853 186 H GLU 453 HN GLU 453 -5.618 -8.743 -2.600 187 HA GLU 453 HA GLU 453 -4.117 -9.529 -1.104 188 HB2 GLU 453 HB2 GLU 453 -4.090 -11.885 -2.998 189 HB3 GLU 453 HB1 GLU 453 -3.260 -11.862 -1.452 190 HG2 GLU 453 HG2 GLU 453 -5.294 -13.028 -1.150 191 HG3 GLU 453 HG1 GLU 453 -5.454 -11.467 -0.351 192 H GLU 454 HN GLU 454 -3.156 -7.767 -3.139 193 HA GLU 454 HA GLU 454 -0.544 -8.939 -3.827 194 HB2 GLU 454 HB2 GLU 454 -0.379 -7.317 -5.602 195 HB3 GLU 454 HB1 GLU 454 -1.916 -8.158 -5.722 196 HG2 GLU 454 HG2 GLU 454 -3.038 -6.248 -4.693 197 HG3 GLU 454 HG1 GLU 454 -1.493 -5.403 -4.590 198 H SER 455 HN SER 455 1.242 -8.239 -2.878 199 HA SER 455 HA SER 455 1.163 -5.686 -1.418 200 HB2 SER 455 HB2 SER 455 3.348 -7.772 -1.278 201 HB3 SER 455 HB1 SER 455 3.032 -6.458 -0.155 202 HG SER 455 HG SER 455 1.054 -8.401 -0.604 203 H THR 456 HN THR 456 1.840 -4.011 -2.590 204 HA THR 456 HA THR 456 4.053 -4.456 -4.482 205 HB THR 456 HB THR 456 1.855 -3.954 -5.576 206 HG1 THR 456 HG1 THR 456 2.982 -2.991 -7.080 207 HG21 THR 456 HG21 THR 456 2.212 -1.218 -4.355 208 HG22 THR 456 HG22 THR 456 1.016 -2.403 -3.835 209 HG23 THR 456 HG23 THR 456 0.935 -1.725 -5.461 210 H TRP 457 HN TRP 457 5.625 -2.859 -4.653 211 HA TRP 457 HA TRP 457 5.740 -1.024 -2.387 212 HB2 TRP 457 HB2 TRP 457 7.834 -1.802 -4.420 213 HB3 TRP 457 HB1 TRP 457 8.090 -0.620 -3.139 214 HD1 TRP 457 HD1 TRP 457 7.797 -4.385 -3.715 215 HE1 TRP 457 HE1 TRP 457 8.457 -5.607 -1.537 216 HE3 TRP 457 HE3 TRP 457 8.034 -0.360 -0.603 217 HZ2 TRP 457 HZ2 TRP 457 8.990 -4.914 1.172 218 HZ3 TRP 457 HZ3 TRP 457 8.576 -0.727 1.758 219 HH2 TRP 457 HH2 TRP 457 9.060 -2.923 2.629 220 H GLU 458 HN GLU 458 4.385 -0.946 -5.292 221 HA GLU 458 HA GLU 458 5.129 1.744 -6.060 222 HB2 GLU 458 HB2 GLU 458 4.496 0.078 -7.771 223 HB3 GLU 458 HB1 GLU 458 2.899 -0.055 -7.048 224 HG2 GLU 458 HG2 GLU 458 2.871 1.338 -9.041 225 HG3 GLU 458 HG1 GLU 458 2.428 2.259 -7.605 226 H LYS 459 HN LYS 459 4.096 3.564 -5.438 227 HA LYS 459 HA LYS 459 2.295 3.463 -3.237 228 HB2 LYS 459 HB2 LYS 459 3.942 5.296 -3.623 229 HB3 LYS 459 HB1 LYS 459 2.991 5.816 -5.008 230 HG2 LYS 459 HG2 LYS 459 1.083 6.235 -3.513 231 HG3 LYS 459 HG1 LYS 459 2.089 5.775 -2.138 232 HD2 LYS 459 HD2 LYS 459 3.600 7.613 -2.587 233 HD3 LYS 459 HD1 LYS 459 2.695 8.038 -4.041 234 HE2 LYS 459 HE2 LYS 459 0.690 8.379 -2.560 235 HE3 LYS 459 HE1 LYS 459 1.773 8.210 -1.180 236 HZ1 LYS 459 HZ1 LYS 459 1.249 10.544 -2.036 237 HZ2 LYS 459 HZ2 LYS 459 2.321 10.187 -3.305 238 HZ3 LYS 459 HZ3 LYS 459 2.873 10.170 -1.703 239 HA PRO 460 HA PRO 460 -1.362 2.746 -5.641 240 HB2 PRO 460 HB2 PRO 460 -2.827 3.600 -3.237 241 HB3 PRO 460 HB1 PRO 460 -2.825 2.038 -4.050 242 HG2 PRO 460 HG2 PRO 460 -1.641 2.399 -1.665 243 HG3 PRO 460 HG1 PRO 460 -0.999 1.275 -2.876 244 HD2 PRO 460 HD2 PRO 460 -0.072 4.028 -2.163 245 HD3 PRO 460 HD1 PRO 460 0.885 2.582 -2.555 246 H GLN 461 HN GLN 461 -2.887 3.896 -6.723 247 HA GLN 461 HA GLN 461 -2.460 6.705 -6.980 248 HB2 GLN 461 HB2 GLN 461 -3.166 4.983 -8.753 249 HB3 GLN 461 HB1 GLN 461 -4.781 5.164 -8.108 250 HG2 GLN 461 HG2 GLN 461 -4.744 7.541 -8.625 251 HG3 GLN 461 HG1 GLN 461 -3.110 7.376 -9.271 252 HE21 GLN 461 HE21 GLN 461 -2.801 6.372 -11.243 253 HE22 GLN 461 HE22 GLN 461 -4.107 6.037 -12.330 254 H GLU 462 HN GLU 462 -4.711 4.661 -5.364 255 HA GLU 462 HA GLU 462 -6.586 6.725 -4.675 256 HB2 GLU 462 HB2 GLU 462 -7.354 4.965 -2.968 257 HB3 GLU 462 HB1 GLU 462 -7.522 4.578 -4.670 258 HG2 GLU 462 HG2 GLU 462 -5.065 3.721 -3.240 259 HG3 GLU 462 HG1 GLU 462 -6.569 2.836 -2.982 260 H LEU 463 HN LEU 463 -3.478 6.288 -3.707 261 HA LEU 463 HA LEU 463 -3.991 7.552 -1.100 262 HB2 LEU 463 HB2 LEU 463 -3.531 5.087 -0.887 263 HB3 LEU 463 HB1 LEU 463 -1.946 5.379 -1.574 264 HG LEU 463 HG LEU 463 -1.384 6.821 0.343 265 HD11 LEU 463 HD11 LEU 463 -4.069 5.961 1.412 266 HD12 LEU 463 HD12 LEU 463 -3.632 7.590 0.895 267 HD13 LEU 463 HD13 LEU 463 -2.843 6.869 2.298 268 HD21 LEU 463 HD21 LEU 463 -1.209 5.040 2.005 269 HD22 LEU 463 HD22 LEU 463 -0.808 4.454 0.391 270 HD23 LEU 463 HD23 LEU 463 -2.378 4.078 1.103 271 H LYS 464 HN LYS 464 -2.914 8.246 -3.939 272 HA LYS 464 HA LYS 464 -0.166 8.904 -3.495 273 HB2 LYS 464 HB2 LYS 464 -0.292 10.042 -5.690 274 HB3 LYS 464 HB1 LYS 464 -0.837 8.374 -5.738 275 HG2 LYS 464 HG2 LYS 464 -3.090 9.007 -5.941 276 HG3 LYS 464 HG1 LYS 464 -2.742 10.678 -5.488 277 HD2 LYS 464 HD2 LYS 464 -1.842 9.289 -8.014 278 HD3 LYS 464 HD1 LYS 464 -3.120 10.501 -7.888 279 HE2 LYS 464 HE2 LYS 464 -0.200 10.928 -7.252 280 HE3 LYS 464 HE1 LYS 464 -1.039 11.493 -8.696 281 HZ1 LYS 464 HZ1 LYS 464 -0.757 13.210 -6.956 282 HZ2 LYS 464 HZ2 LYS 464 -1.759 12.306 -5.931 283 HZ3 LYS 464 HZ3 LYS 464 -2.380 12.941 -7.374 Start of MODEL 8 1 H1 GLY 428 HT1 GLY 428 -22.762 12.071 -3.176 2 H2 GLY 428 HT2 GLY 428 -21.410 12.039 -4.198 3 H3 GLY 428 HT3 GLY 428 -21.305 12.787 -2.683 4 HA2 GLY 428 HA1 GLY 428 -21.688 10.641 -1.596 5 HA3 GLY 428 HA2 GLY 428 -21.703 9.889 -3.185 6 H ALA 429 HN ALA 429 -19.919 8.657 -3.136 7 HA ALA 429 HA ALA 429 -17.738 8.059 -3.202 8 HB1 ALA 429 HB1 ALA 429 -17.527 9.873 -4.830 9 HB2 ALA 429 HB2 ALA 429 -16.064 9.692 -3.862 10 HB3 ALA 429 HB3 ALA 429 -17.190 11.006 -3.521 11 H THR 430 HN THR 430 -17.548 7.233 -1.173 12 HA THR 430 HA THR 430 -16.008 8.853 0.696 13 HB THR 430 HB THR 430 -18.394 9.178 1.344 14 HG1 THR 430 HG1 THR 430 -17.431 9.384 3.209 15 HG21 THR 430 HG21 THR 430 -19.285 7.017 0.637 16 HG22 THR 430 HG22 THR 430 -19.633 7.308 2.342 17 HG23 THR 430 HG23 THR 430 -18.335 6.204 1.883 18 H ALA 431 HN ALA 431 -15.292 7.469 2.589 19 HA ALA 431 HA ALA 431 -14.088 5.741 3.386 20 HB1 ALA 431 HB1 ALA 431 -14.847 3.471 3.034 21 HB2 ALA 431 HB2 ALA 431 -15.848 3.988 1.678 22 HB3 ALA 431 HB3 ALA 431 -16.229 4.533 3.312 23 H VAL 432 HN VAL 432 -12.346 6.724 2.180 24 HA VAL 432 HA VAL 432 -11.539 5.233 -0.196 25 HB VAL 432 HB VAL 432 -11.350 7.605 -0.440 26 HG11 VAL 432 HG11 VAL 432 -9.569 7.598 1.991 27 HG12 VAL 432 HG12 VAL 432 -11.190 8.284 1.881 28 HG13 VAL 432 HG13 VAL 432 -9.869 8.984 0.946 29 HG21 VAL 432 HG21 VAL 432 -8.616 6.381 -0.111 30 HG22 VAL 432 HG22 VAL 432 -8.980 7.844 -1.027 31 HG23 VAL 432 HG23 VAL 432 -9.637 6.292 -1.546 32 H SER 433 HN SER 433 -11.080 3.273 0.802 33 HA SER 433 HA SER 433 -8.389 3.081 1.795 34 HB2 SER 433 HB2 SER 433 -9.063 1.825 3.869 35 HB3 SER 433 HB1 SER 433 -9.462 3.543 3.903 36 HG SER 433 HG SER 433 -11.394 1.807 2.897 37 H GLU 434 HN GLU 434 -7.752 1.636 0.338 38 HA GLU 434 HA GLU 434 -9.095 -0.988 0.372 39 HB2 GLU 434 HB2 GLU 434 -9.471 0.326 -1.770 40 HB3 GLU 434 HB1 GLU 434 -7.743 0.180 -2.065 41 HG2 GLU 434 HG2 GLU 434 -8.845 -1.523 -3.301 42 HG3 GLU 434 HG1 GLU 434 -8.001 -2.290 -1.956 43 H TRP 435 HN TRP 435 -6.156 0.844 0.377 44 HA TRP 435 HA TRP 435 -4.607 -1.640 0.488 45 HB2 TRP 435 HB2 TRP 435 -3.606 1.151 -0.052 46 HB3 TRP 435 HB1 TRP 435 -2.629 -0.317 0.060 47 HD1 TRP 435 HD1 TRP 435 -5.551 1.033 -2.157 48 HE1 TRP 435 HE1 TRP 435 -5.132 0.240 -4.569 49 HE3 TRP 435 HE3 TRP 435 -1.342 -1.770 -1.377 50 HZ2 TRP 435 HZ2 TRP 435 -3.274 -1.362 -5.948 51 HZ3 TRP 435 HZ3 TRP 435 -0.307 -2.896 -3.302 52 HH2 TRP 435 HH2 TRP 435 -1.254 -2.698 -5.538 53 H THR 436 HN THR 436 -3.142 -1.931 2.041 54 HA THR 436 HA THR 436 -3.093 -0.012 4.276 55 HB THR 436 HB THR 436 -2.912 -3.004 4.290 56 HG1 THR 436 HG1 THR 436 -4.978 -1.245 4.522 57 HG21 THR 436 HG21 THR 436 -1.491 -2.047 6.039 58 HG22 THR 436 HG22 THR 436 -2.903 -2.824 6.753 59 HG23 THR 436 HG23 THR 436 -2.841 -1.067 6.613 60 H GLU 437 HN GLU 437 -1.047 0.605 4.916 61 HA GLU 437 HA GLU 437 1.168 -0.697 3.491 62 HB2 GLU 437 HB2 GLU 437 2.402 1.359 3.658 63 HB3 GLU 437 HB1 GLU 437 0.831 1.692 2.966 64 HG2 GLU 437 HG2 GLU 437 1.437 2.101 5.851 65 HG3 GLU 437 HG1 GLU 437 1.721 3.340 4.642 66 H TYR 438 HN TYR 438 2.804 -1.573 4.544 67 HA TYR 438 HA TYR 438 2.916 -1.324 7.486 68 HB2 TYR 438 HB2 TYR 438 3.656 -3.762 5.846 69 HB3 TYR 438 HB1 TYR 438 3.693 -3.634 7.597 70 HD1 TYR 438 HD1 TYR 438 1.597 -3.671 8.890 71 HD2 TYR 438 HD2 TYR 438 1.605 -4.162 4.663 72 HE1 TYR 438 HE1 TYR 438 -0.680 -4.599 8.998 73 HE2 TYR 438 HE2 TYR 438 -0.671 -5.082 4.760 74 HH TYR 438 HH TYR 438 -2.620 -4.931 7.572 75 H LYS 439 HN LYS 439 4.938 -0.805 8.310 76 HA LYS 439 HA LYS 439 7.048 -0.382 6.341 77 HB2 LYS 439 HB2 LYS 439 6.433 1.359 8.093 78 HB3 LYS 439 HB1 LYS 439 7.183 0.293 9.274 79 HG2 LYS 439 HG2 LYS 439 8.907 1.734 8.795 80 HG3 LYS 439 HG1 LYS 439 9.240 0.413 7.677 81 HD2 LYS 439 HD2 LYS 439 9.521 2.403 6.397 82 HD3 LYS 439 HD1 LYS 439 7.999 1.726 5.881 83 HE2 LYS 439 HE2 LYS 439 7.780 4.131 6.245 84 HE3 LYS 439 HE1 LYS 439 6.785 3.262 7.412 85 HZ1 LYS 439 HZ1 LYS 439 7.885 4.966 8.588 86 HZ2 LYS 439 HZ2 LYS 439 9.384 4.604 7.887 87 HZ3 LYS 439 HZ3 LYS 439 8.692 3.535 9.003 88 H THR 440 HN THR 440 8.456 -1.835 5.939 89 HA THR 440 HA THR 440 8.763 -4.167 7.639 90 HB THR 440 HB THR 440 10.211 -4.910 5.626 91 HG1 THR 440 HG1 THR 440 10.466 -3.382 4.184 92 HG21 THR 440 HG21 THR 440 7.966 -5.782 6.083 93 HG22 THR 440 HG22 THR 440 8.227 -5.564 4.353 94 HG23 THR 440 HG23 THR 440 7.260 -4.396 5.250 95 H ALA 441 HN ALA 441 10.813 -4.965 8.268 96 HA ALA 441 HA ALA 441 12.395 -3.273 9.686 97 HB1 ALA 441 HB1 ALA 441 12.351 -5.709 9.917 98 HB2 ALA 441 HB2 ALA 441 13.991 -5.064 9.884 99 HB3 ALA 441 HB3 ALA 441 13.324 -5.854 8.454 100 H ASP 442 HN ASP 442 12.701 -3.758 6.225 101 HA ASP 442 HA ASP 442 15.366 -2.740 6.015 102 HB2 ASP 442 HB2 ASP 442 14.923 -2.487 3.627 103 HB3 ASP 442 HB1 ASP 442 14.359 -4.054 4.193 104 H GLY 443 HN GLY 443 12.571 -1.328 6.996 105 HA2 GLY 443 HA2 GLY 443 12.558 0.784 7.970 106 HA3 GLY 443 HA1 GLY 443 13.902 1.252 6.947 107 H LYS 444 HN LYS 444 11.156 -0.218 5.328 108 HA LYS 444 HA LYS 444 9.810 2.374 5.129 109 HB2 LYS 444 HB2 LYS 444 10.003 0.947 2.738 110 HB3 LYS 444 HB1 LYS 444 9.828 2.627 2.936 111 HG2 LYS 444 HG2 LYS 444 12.197 2.866 3.451 112 HG3 LYS 444 HG1 LYS 444 12.423 1.127 3.247 113 HD2 LYS 444 HD2 LYS 444 11.398 2.937 1.066 114 HD3 LYS 444 HD1 LYS 444 13.104 2.535 1.279 115 HE2 LYS 444 HE2 LYS 444 10.888 0.526 0.865 116 HE3 LYS 444 HE1 LYS 444 11.960 1.115 -0.406 117 HZ1 LYS 444 HZ1 LYS 444 13.836 0.259 1.001 118 HZ2 LYS 444 HZ2 LYS 444 12.832 -0.929 0.329 119 HZ3 LYS 444 HZ3 LYS 444 12.678 -0.523 1.973 120 H THR 445 HN THR 445 7.863 2.184 3.633 121 HA THR 445 HA THR 445 6.316 -0.101 4.564 122 HB THR 445 HB THR 445 4.382 1.280 3.679 123 HG1 THR 445 HG1 THR 445 5.776 2.680 2.394 124 HG21 THR 445 HG21 THR 445 4.370 2.776 5.638 125 HG22 THR 445 HG22 THR 445 6.071 2.402 5.914 126 HG23 THR 445 HG23 THR 445 4.855 1.132 6.057 127 H TYR 446 HN TYR 446 5.291 -1.485 3.353 128 HA TYR 446 HA TYR 446 5.404 -1.157 0.433 129 HB2 TYR 446 HB2 TYR 446 5.670 -3.466 0.151 130 HB3 TYR 446 HB1 TYR 446 6.685 -3.124 1.539 131 HD1 TYR 446 HD1 TYR 446 5.827 -3.668 3.847 132 HD2 TYR 446 HD2 TYR 446 3.871 -5.000 0.310 133 HE1 TYR 446 HE1 TYR 446 4.652 -5.390 5.152 134 HE2 TYR 446 HE2 TYR 446 2.687 -6.719 1.607 135 HH TYR 446 HH TYR 446 3.131 -7.996 3.782 136 H TYR 447 HN TYR 447 3.461 -1.811 -0.699 137 HA TYR 447 HA TYR 447 1.164 -1.195 1.016 138 HB2 TYR 447 HB2 TYR 447 1.609 -0.688 -1.929 139 HB3 TYR 447 HB1 TYR 447 0.136 -0.278 -1.046 140 HD1 TYR 447 HD1 TYR 447 0.450 1.198 1.052 141 HD2 TYR 447 HD2 TYR 447 3.330 0.890 -2.054 142 HE1 TYR 447 HE1 TYR 447 1.462 3.308 1.811 143 HE2 TYR 447 HE2 TYR 447 4.345 3.010 -1.332 144 HH TYR 447 HH TYR 447 3.940 4.916 -0.077 145 H TYR 448 HN TYR 448 -0.429 -2.525 1.269 146 HA TYR 448 HA TYR 448 -0.569 -4.933 -0.421 147 HB2 TYR 448 HB2 TYR 448 0.093 -5.438 1.862 148 HB3 TYR 448 HB1 TYR 448 -1.265 -4.520 2.496 149 HD1 TYR 448 HD1 TYR 448 -0.322 -7.595 0.680 150 HD2 TYR 448 HD2 TYR 448 -3.409 -5.497 2.717 151 HE1 TYR 448 HE1 TYR 448 -1.677 -9.648 0.729 152 HE2 TYR 448 HE2 TYR 448 -4.773 -7.538 2.771 153 HH TYR 448 HH TYR 448 -4.996 -9.635 1.565 154 H ASN 449 HN ASN 449 -2.352 -5.196 -1.588 155 HA ASN 449 HA ASN 449 -4.688 -3.495 -1.040 156 HB2 ASN 449 HB2 ASN 449 -3.727 -3.283 -3.276 157 HB3 ASN 449 HB1 ASN 449 -3.894 -5.016 -3.526 158 HD21 ASN 449 HD21 ASN 449 -5.578 -1.987 -3.298 159 HD22 ASN 449 HD22 ASN 449 -7.070 -2.545 -3.966 160 H ASN 450 HN ASN 450 -6.616 -4.318 -0.529 161 HA ASN 450 HA ASN 450 -6.635 -7.073 0.344 162 HB2 ASN 450 HB2 ASN 450 -8.596 -4.800 0.699 163 HB3 ASN 450 HB1 ASN 450 -8.855 -6.417 1.349 164 HD21 ASN 450 HD21 ASN 450 -7.133 -3.447 1.650 165 HD22 ASN 450 HD22 ASN 450 -6.396 -3.788 3.175 166 H ARG 451 HN ARG 451 -7.422 -5.733 -2.577 167 HA ARG 451 HA ARG 451 -9.887 -7.220 -2.997 168 HB2 ARG 451 HB2 ARG 451 -8.199 -5.686 -4.984 169 HB3 ARG 451 HB1 ARG 451 -9.790 -6.364 -5.298 170 HG2 ARG 451 HG2 ARG 451 -10.776 -4.858 -3.683 171 HG3 ARG 451 HG1 ARG 451 -9.182 -4.208 -3.296 172 HD2 ARG 451 HD2 ARG 451 -10.503 -4.089 -6.006 173 HD3 ARG 451 HD1 ARG 451 -10.456 -2.767 -4.842 174 HE ARG 451 HE ARG 451 -8.011 -3.922 -6.058 175 HH11 ARG 451 HH11 ARG 451 -9.941 -1.176 -5.035 176 HH12 ARG 451 HH12 ARG 451 -8.747 0.004 -5.506 177 HH21 ARG 451 HH21 ARG 451 -6.454 -2.368 -6.698 178 HH22 ARG 451 HH22 ARG 451 -6.785 -0.677 -6.469 179 H THR 452 HN THR 452 -6.492 -7.502 -3.664 180 HA THR 452 HA THR 452 -6.971 -10.038 -5.084 181 HB THR 452 HB THR 452 -5.108 -9.425 -6.613 182 HG1 THR 452 HG1 THR 452 -4.689 -7.006 -6.523 183 HG21 THR 452 HG21 THR 452 -7.305 -7.347 -6.572 184 HG22 THR 452 HG22 THR 452 -7.463 -8.964 -7.262 185 HG23 THR 452 HG23 THR 452 -6.324 -7.813 -7.964 186 H GLU 453 HN GLU 453 -5.640 -8.614 -2.464 187 HA GLU 453 HA GLU 453 -3.997 -9.061 -0.975 188 HB2 GLU 453 HB2 GLU 453 -3.928 -11.665 -2.502 189 HB3 GLU 453 HB1 GLU 453 -2.904 -11.354 -1.111 190 HG2 GLU 453 HG2 GLU 453 -4.740 -12.588 -0.321 191 HG3 GLU 453 HG1 GLU 453 -4.996 -10.927 0.208 192 H GLU 454 HN GLU 454 -3.370 -7.566 -3.348 193 HA GLU 454 HA GLU 454 -0.787 -8.609 -4.263 194 HB2 GLU 454 HB2 GLU 454 -0.850 -6.899 -5.984 195 HB3 GLU 454 HB1 GLU 454 -2.374 -7.771 -5.962 196 HG2 GLU 454 HG2 GLU 454 -3.385 -5.917 -4.697 197 HG3 GLU 454 HG1 GLU 454 -1.859 -5.040 -4.803 198 H SER 455 HN SER 455 1.136 -7.799 -3.723 199 HA SER 455 HA SER 455 1.144 -5.411 -2.005 200 HB2 SER 455 HB2 SER 455 3.189 -6.447 -0.951 201 HB3 SER 455 HB1 SER 455 1.680 -7.304 -0.646 202 HG SER 455 HG SER 455 3.385 -8.002 -2.791 203 H THR 456 HN THR 456 2.101 -3.731 -2.901 204 HA THR 456 HA THR 456 4.420 -4.182 -4.646 205 HB THR 456 HB THR 456 2.470 -3.771 -6.101 206 HG1 THR 456 HG1 THR 456 4.132 -2.956 -7.162 207 HG21 THR 456 HG21 THR 456 2.322 -1.087 -4.723 208 HG22 THR 456 HG22 THR 456 1.150 -2.393 -4.551 209 HG23 THR 456 HG23 THR 456 1.361 -1.598 -6.111 210 H TRP 457 HN TRP 457 5.940 -2.471 -4.698 211 HA TRP 457 HA TRP 457 5.940 -0.896 -2.265 212 HB2 TRP 457 HB2 TRP 457 8.019 -1.404 -4.382 213 HB3 TRP 457 HB1 TRP 457 8.257 -0.224 -3.099 214 HD1 TRP 457 HD1 TRP 457 8.158 -4.001 -3.709 215 HE1 TRP 457 HE1 TRP 457 9.066 -5.191 -1.604 216 HE3 TRP 457 HE3 TRP 457 8.393 0.015 -0.578 217 HZ2 TRP 457 HZ2 TRP 457 9.761 -4.486 1.065 218 HZ3 TRP 457 HZ3 TRP 457 9.156 -0.324 1.727 219 HH2 TRP 457 HH2 TRP 457 9.833 -2.504 2.533 220 H GLU 458 HN GLU 458 4.675 -0.421 -5.251 221 HA GLU 458 HA GLU 458 5.418 2.388 -5.476 222 HB2 GLU 458 HB2 GLU 458 5.217 0.990 -7.521 223 HB3 GLU 458 HB1 GLU 458 3.511 0.753 -7.167 224 HG2 GLU 458 HG2 GLU 458 3.928 2.473 -8.885 225 HG3 GLU 458 HG1 GLU 458 3.058 3.085 -7.481 226 H LYS 459 HN LYS 459 3.932 4.086 -5.284 227 HA LYS 459 HA LYS 459 2.160 3.744 -3.087 228 HB2 LYS 459 HB2 LYS 459 3.558 5.829 -3.937 229 HB3 LYS 459 HB1 LYS 459 2.070 6.192 -4.799 230 HG2 LYS 459 HG2 LYS 459 0.838 6.325 -2.752 231 HG3 LYS 459 HG1 LYS 459 2.218 5.726 -1.828 232 HD2 LYS 459 HD2 LYS 459 3.465 7.778 -2.760 233 HD3 LYS 459 HD1 LYS 459 1.862 8.388 -3.171 234 HE2 LYS 459 HE2 LYS 459 2.758 7.563 -0.409 235 HE3 LYS 459 HE1 LYS 459 2.667 9.222 -0.994 236 HZ1 LYS 459 HZ1 LYS 459 0.360 7.361 -0.778 237 HZ2 LYS 459 HZ2 LYS 459 0.295 8.983 -1.274 238 HZ3 LYS 459 HZ3 LYS 459 0.726 8.595 0.322 239 HA PRO 460 HA PRO 460 -1.301 2.087 -5.233 240 HB2 PRO 460 HB2 PRO 460 -2.780 3.350 -2.980 241 HB3 PRO 460 HB1 PRO 460 -2.828 1.684 -3.558 242 HG2 PRO 460 HG2 PRO 460 -1.520 2.260 -1.339 243 HG3 PRO 460 HG1 PRO 460 -0.807 1.141 -2.517 244 HD2 PRO 460 HD2 PRO 460 -0.170 4.024 -2.017 245 HD3 PRO 460 HD1 PRO 460 0.929 2.664 -2.334 246 H GLN 461 HN GLN 461 -3.093 2.679 -6.430 247 HA GLN 461 HA GLN 461 -3.090 5.271 -7.520 248 HB2 GLN 461 HB2 GLN 461 -3.881 3.138 -8.613 249 HB3 GLN 461 HB1 GLN 461 -5.348 3.277 -7.668 250 HG2 GLN 461 HG2 GLN 461 -5.842 5.414 -8.726 251 HG3 GLN 461 HG1 GLN 461 -4.363 5.286 -9.680 252 HE21 GLN 461 HE21 GLN 461 -7.585 4.094 -9.210 253 HE22 GLN 461 HE22 GLN 461 -7.698 3.211 -10.700 254 H GLU 462 HN GLU 462 -5.122 3.700 -5.137 255 HA GLU 462 HA GLU 462 -6.678 6.150 -4.769 256 HB2 GLU 462 HB2 GLU 462 -8.045 4.710 -3.205 257 HB3 GLU 462 HB1 GLU 462 -8.049 4.229 -4.891 258 HG2 GLU 462 HG2 GLU 462 -6.103 2.956 -3.049 259 HG3 GLU 462 HG1 GLU 462 -7.796 2.462 -2.998 260 H LEU 463 HN LEU 463 -3.795 5.286 -3.671 261 HA LEU 463 HA LEU 463 -4.269 6.565 -1.070 262 HB2 LEU 463 HB2 LEU 463 -4.103 4.062 -0.844 263 HB3 LEU 463 HB1 LEU 463 -2.457 4.181 -1.435 264 HG LEU 463 HG LEU 463 -1.881 5.590 0.520 265 HD11 LEU 463 HD11 LEU 463 -4.087 6.532 0.950 266 HD12 LEU 463 HD12 LEU 463 -3.437 5.746 2.388 267 HD13 LEU 463 HD13 LEU 463 -4.679 4.940 1.429 268 HD21 LEU 463 HD21 LEU 463 -1.990 3.786 2.194 269 HD22 LEU 463 HD22 LEU 463 -1.458 3.212 0.614 270 HD23 LEU 463 HD23 LEU 463 -3.112 2.912 1.152 271 H LYS 464 HN LYS 464 -3.081 7.211 -3.796 272 HA LYS 464 HA LYS 464 -0.294 7.695 -3.266 273 HB2 LYS 464 HB2 LYS 464 -0.294 8.790 -5.474 274 HB3 LYS 464 HB1 LYS 464 -1.022 7.190 -5.543 275 HG2 LYS 464 HG2 LYS 464 -3.256 8.302 -5.387 276 HG3 LYS 464 HG1 LYS 464 -2.426 9.845 -5.572 277 HD2 LYS 464 HD2 LYS 464 -1.500 9.007 -7.725 278 HD3 LYS 464 HD1 LYS 464 -2.512 7.570 -7.545 279 HE2 LYS 464 HE2 LYS 464 -3.362 10.428 -7.910 280 HE3 LYS 464 HE1 LYS 464 -3.743 9.033 -8.920 281 HZ1 LYS 464 HZ1 LYS 464 -5.645 9.651 -7.580 282 HZ2 LYS 464 HZ2 LYS 464 -4.733 9.524 -6.155 283 HZ3 LYS 464 HZ3 LYS 464 -5.064 8.137 -7.072 Start of MODEL 9 1 H1 GLY 428 HT1 GLY 428 -10.850 10.721 -10.235 2 H2 GLY 428 HT2 GLY 428 -11.684 9.601 -9.275 3 H3 GLY 428 HT3 GLY 428 -10.545 10.642 -8.571 4 HA2 GLY 428 HA1 GLY 428 -11.911 12.553 -9.067 5 HA3 GLY 428 HA2 GLY 428 -13.083 11.499 -9.848 6 H ALA 429 HN ALA 429 -11.714 12.547 -6.833 7 HA ALA 429 HA ALA 429 -12.285 12.282 -4.658 8 HB1 ALA 429 HB1 ALA 429 -14.263 13.510 -5.435 9 HB2 ALA 429 HB2 ALA 429 -14.646 12.407 -4.112 10 HB3 ALA 429 HB3 ALA 429 -15.072 11.979 -5.769 11 H THR 430 HN THR 430 -11.090 10.280 -4.668 12 HA THR 430 HA THR 430 -12.752 7.865 -4.535 13 HB THR 430 HB THR 430 -9.734 8.048 -4.550 14 HG1 THR 430 HG1 THR 430 -10.972 7.118 -6.828 15 HG21 THR 430 HG21 THR 430 -9.849 5.689 -5.210 16 HG22 THR 430 HG22 THR 430 -11.608 5.742 -5.105 17 HG23 THR 430 HG23 THR 430 -10.630 5.950 -3.652 18 H ALA 431 HN ALA 431 -13.658 8.039 -2.505 19 HA ALA 431 HA ALA 431 -11.858 8.356 -0.211 20 HB1 ALA 431 HB1 ALA 431 -14.872 8.340 -0.303 21 HB2 ALA 431 HB2 ALA 431 -13.844 9.772 -0.240 22 HB3 ALA 431 HB3 ALA 431 -13.879 8.651 1.121 23 H VAL 432 HN VAL 432 -10.893 6.334 -0.346 24 HA VAL 432 HA VAL 432 -12.040 4.311 1.212 25 HB VAL 432 HB VAL 432 -13.423 3.864 -0.779 26 HG11 VAL 432 HG11 VAL 432 -11.924 4.687 -2.504 27 HG12 VAL 432 HG12 VAL 432 -12.410 3.027 -2.844 28 HG13 VAL 432 HG13 VAL 432 -10.806 3.359 -2.189 29 HG21 VAL 432 HG21 VAL 432 -11.356 1.726 -0.271 30 HG22 VAL 432 HG22 VAL 432 -12.939 1.476 -1.006 31 HG23 VAL 432 HG23 VAL 432 -12.821 2.003 0.673 32 H SER 433 HN SER 433 -10.434 3.022 1.961 33 HA SER 433 HA SER 433 -7.930 2.988 0.441 34 HB2 SER 433 HB2 SER 433 -6.960 2.715 2.924 35 HB3 SER 433 HB1 SER 433 -7.193 4.290 2.167 36 HG SER 433 HG SER 433 -9.016 4.610 3.330 37 H GLU 434 HN GLU 434 -8.205 1.049 -0.488 38 HA GLU 434 HA GLU 434 -8.916 -1.294 1.094 39 HB2 GLU 434 HB2 GLU 434 -9.720 -0.932 -1.246 40 HB3 GLU 434 HB1 GLU 434 -8.059 -1.088 -1.796 41 HG2 GLU 434 HG2 GLU 434 -9.065 -3.164 -2.158 42 HG3 GLU 434 HG1 GLU 434 -8.041 -3.365 -0.741 43 H TRP 435 HN TRP 435 -6.138 0.389 0.174 44 HA TRP 435 HA TRP 435 -4.428 -1.938 0.530 45 HB2 TRP 435 HB2 TRP 435 -3.626 0.906 -0.067 46 HB3 TRP 435 HB1 TRP 435 -2.567 -0.510 -0.004 47 HD1 TRP 435 HD1 TRP 435 -5.737 0.560 -2.021 48 HE1 TRP 435 HE1 TRP 435 -5.439 -0.228 -4.445 49 HE3 TRP 435 HE3 TRP 435 -1.212 -1.759 -1.552 50 HZ2 TRP 435 HZ2 TRP 435 -3.517 -1.651 -5.972 51 HZ3 TRP 435 HZ3 TRP 435 -0.217 -2.809 -3.531 52 HH2 TRP 435 HH2 TRP 435 -1.341 -2.757 -5.698 53 H THR 436 HN THR 436 -2.860 -2.075 2.010 54 HA THR 436 HA THR 436 -3.065 -0.323 4.368 55 HB THR 436 HB THR 436 -2.579 -3.280 4.184 56 HG1 THR 436 HG1 THR 436 -4.834 -1.882 4.208 57 HG21 THR 436 HG21 THR 436 -2.746 -3.260 6.656 58 HG22 THR 436 HG22 THR 436 -2.850 -1.499 6.616 59 HG23 THR 436 HG23 THR 436 -1.377 -2.309 6.080 60 H GLU 437 HN GLU 437 -1.060 0.227 5.330 61 HA GLU 437 HA GLU 437 1.279 -0.617 3.758 62 HB2 GLU 437 HB2 GLU 437 2.300 1.502 4.149 63 HB3 GLU 437 HB1 GLU 437 0.675 1.794 3.559 64 HG2 GLU 437 HG2 GLU 437 1.431 1.874 6.454 65 HG3 GLU 437 HG1 GLU 437 1.463 3.285 5.408 66 H TYR 438 HN TYR 438 2.889 -1.584 4.732 67 HA TYR 438 HA TYR 438 3.090 -1.472 7.675 68 HB2 TYR 438 HB2 TYR 438 3.743 -3.843 5.904 69 HB3 TYR 438 HB1 TYR 438 3.940 -3.776 7.648 70 HD1 TYR 438 HD1 TYR 438 1.873 -3.588 9.092 71 HD2 TYR 438 HD2 TYR 438 1.692 -4.479 4.937 72 HE1 TYR 438 HE1 TYR 438 -0.389 -4.502 9.393 73 HE2 TYR 438 HE2 TYR 438 -0.573 -5.388 5.226 74 HH TYR 438 HH TYR 438 -2.405 -4.901 8.034 75 H LYS 439 HN LYS 439 5.079 -0.886 8.422 76 HA LYS 439 HA LYS 439 7.174 -0.422 6.449 77 HB2 LYS 439 HB2 LYS 439 6.518 1.286 8.256 78 HB3 LYS 439 HB1 LYS 439 7.329 0.228 9.399 79 HG2 LYS 439 HG2 LYS 439 8.935 1.834 8.885 80 HG3 LYS 439 HG1 LYS 439 9.381 0.463 7.874 81 HD2 LYS 439 HD2 LYS 439 9.585 2.380 6.461 82 HD3 LYS 439 HD1 LYS 439 8.135 1.560 5.957 83 HE2 LYS 439 HE2 LYS 439 7.791 3.981 6.096 84 HE3 LYS 439 HE1 LYS 439 6.742 3.129 7.225 85 HZ1 LYS 439 HZ1 LYS 439 8.132 3.761 9.035 86 HZ2 LYS 439 HZ2 LYS 439 7.796 5.156 8.132 87 HZ3 LYS 439 HZ3 LYS 439 9.309 4.405 7.993 88 H THR 440 HN THR 440 8.531 -1.956 6.029 89 HA THR 440 HA THR 440 8.766 -4.269 7.765 90 HB THR 440 HB THR 440 10.179 -5.056 5.705 91 HG1 THR 440 HG1 THR 440 10.343 -3.505 4.267 92 HG21 THR 440 HG21 THR 440 7.198 -4.614 5.500 93 HG22 THR 440 HG22 THR 440 7.990 -5.968 6.309 94 HG23 THR 440 HG23 THR 440 8.137 -5.775 4.563 95 H ALA 441 HN ALA 441 10.807 -5.170 8.345 96 HA ALA 441 HA ALA 441 12.460 -3.514 9.740 97 HB1 ALA 441 HB1 ALA 441 13.244 -6.164 8.549 98 HB2 ALA 441 HB2 ALA 441 12.347 -5.926 10.048 99 HB3 ALA 441 HB3 ALA 441 14.013 -5.364 9.920 100 H ASP 442 HN ASP 442 12.715 -4.121 6.297 101 HA ASP 442 HA ASP 442 15.372 -3.157 5.965 102 HB2 ASP 442 HB2 ASP 442 14.791 -2.806 3.615 103 HB3 ASP 442 HB1 ASP 442 14.229 -4.377 4.169 104 H GLY 443 HN GLY 443 12.705 -1.633 7.133 105 HA2 GLY 443 HA2 GLY 443 12.823 0.471 8.124 106 HA3 GLY 443 HA1 GLY 443 14.112 0.906 7.020 107 H LYS 444 HN LYS 444 11.314 -0.458 5.443 108 HA LYS 444 HA LYS 444 10.037 2.181 5.304 109 HB2 LYS 444 HB2 LYS 444 10.217 0.791 2.878 110 HB3 LYS 444 HB1 LYS 444 10.111 2.474 3.114 111 HG2 LYS 444 HG2 LYS 444 12.461 2.611 3.685 112 HG3 LYS 444 HG1 LYS 444 12.628 0.867 3.486 113 HD2 LYS 444 HD2 LYS 444 11.837 2.792 1.300 114 HD3 LYS 444 HD1 LYS 444 13.463 2.150 1.545 115 HE2 LYS 444 HE2 LYS 444 10.996 0.511 0.970 116 HE3 LYS 444 HE1 LYS 444 12.230 0.944 -0.208 117 HZ1 LYS 444 HZ1 LYS 444 12.653 -1.255 0.537 118 HZ2 LYS 444 HZ2 LYS 444 12.564 -0.807 2.172 119 HZ3 LYS 444 HZ3 LYS 444 13.853 -0.265 1.209 120 H THR 445 HN THR 445 8.103 2.091 3.776 121 HA THR 445 HA THR 445 6.445 -0.141 4.658 122 HB THR 445 HB THR 445 4.639 1.516 3.662 123 HG1 THR 445 HG1 THR 445 5.271 3.603 3.626 124 HG21 THR 445 HG21 THR 445 5.991 1.947 6.322 125 HG22 THR 445 HG22 THR 445 4.703 0.792 5.981 126 HG23 THR 445 HG23 THR 445 4.383 2.523 5.883 127 H TYR 446 HN TYR 446 5.235 -1.335 3.362 128 HA TYR 446 HA TYR 446 5.321 -0.826 0.467 129 HB2 TYR 446 HB2 TYR 446 5.547 -3.142 0.004 130 HB3 TYR 446 HB1 TYR 446 6.719 -2.815 1.263 131 HD1 TYR 446 HD1 TYR 446 6.166 -3.468 3.643 132 HD2 TYR 446 HD2 TYR 446 3.844 -4.752 0.316 133 HE1 TYR 446 HE1 TYR 446 5.211 -5.275 5.010 134 HE2 TYR 446 HE2 TYR 446 2.881 -6.559 1.676 135 HH TYR 446 HH TYR 446 3.494 -7.864 3.699 136 H TYR 447 HN TYR 447 3.346 -1.371 -0.643 137 HA TYR 447 HA TYR 447 1.090 -1.119 1.214 138 HB2 TYR 447 HB2 TYR 447 1.325 -0.283 -1.683 139 HB3 TYR 447 HB1 TYR 447 -0.105 -0.062 -0.674 140 HD1 TYR 447 HD2 TYR 447 0.389 1.172 1.627 141 HD2 TYR 447 HD1 TYR 447 2.798 1.507 -1.862 142 HE1 TYR 447 HE2 TYR 447 1.313 3.281 2.486 143 HE2 TYR 447 HE1 TYR 447 3.730 3.625 -1.023 144 HH TYR 447 HH TYR 447 3.321 4.660 2.196 145 H TYR 448 HN TYR 448 -0.307 -2.645 1.418 146 HA TYR 448 HA TYR 448 -0.369 -4.848 -0.531 147 HB2 TYR 448 HB2 TYR 448 0.357 -5.661 1.579 148 HB3 TYR 448 HB1 TYR 448 -0.864 -4.734 2.444 149 HD1 TYR 448 HD1 TYR 448 -0.428 -7.606 0.115 150 HD2 TYR 448 HD2 TYR 448 -2.933 -5.686 2.966 151 HE1 TYR 448 HE1 TYR 448 -1.916 -9.565 0.122 152 HE2 TYR 448 HE2 TYR 448 -4.426 -7.635 2.980 153 HH TYR 448 HH TYR 448 -3.579 -10.614 1.569 154 H ASN 449 HN ASN 449 -2.117 -5.035 -1.728 155 HA ASN 449 HA ASN 449 -4.552 -3.562 -1.070 156 HB2 ASN 449 HB2 ASN 449 -3.744 -3.379 -3.351 157 HB3 ASN 449 HB1 ASN 449 -3.726 -5.132 -3.522 158 HD21 ASN 449 HD21 ASN 449 -5.710 -2.285 -3.382 159 HD22 ASN 449 HD22 ASN 449 -7.158 -3.028 -3.967 160 H ASN 450 HN ASN 450 -6.323 -4.483 -0.231 161 HA ASN 450 HA ASN 450 -6.189 -7.254 0.526 162 HB2 ASN 450 HB2 ASN 450 -8.220 -5.088 1.050 163 HB3 ASN 450 HB1 ASN 450 -8.443 -6.746 1.596 164 HD21 ASN 450 HD21 ASN 450 -6.787 -3.770 2.071 165 HD22 ASN 450 HD22 ASN 450 -5.993 -4.203 3.545 166 H ARG 451 HN ARG 451 -7.556 -5.616 -2.156 167 HA ARG 451 HA ARG 451 -9.788 -7.370 -2.550 168 HB2 ARG 451 HB2 ARG 451 -8.379 -5.500 -4.462 169 HB3 ARG 451 HB1 ARG 451 -9.812 -6.427 -4.880 170 HG2 ARG 451 HG2 ARG 451 -11.073 -5.267 -3.147 171 HG3 ARG 451 HG1 ARG 451 -9.631 -4.351 -2.710 172 HD2 ARG 451 HD2 ARG 451 -11.044 -4.284 -5.374 173 HD3 ARG 451 HD1 ARG 451 -11.115 -3.033 -4.135 174 HE ARG 451 HE ARG 451 -8.713 -3.735 -5.711 175 HH11 ARG 451 HH11 ARG 451 -10.553 -1.446 -3.768 176 HH12 ARG 451 HH12 ARG 451 -9.460 -0.128 -4.089 177 HH21 ARG 451 HH21 ARG 451 -7.311 -1.973 -6.122 178 HH22 ARG 451 HH22 ARG 451 -7.641 -0.419 -5.399 179 H THR 452 HN THR 452 -6.655 -7.039 -4.182 180 HA THR 452 HA THR 452 -7.042 -9.700 -5.351 181 HB THR 452 HB THR 452 -5.005 -8.945 -6.745 182 HG1 THR 452 HG1 THR 452 -4.478 -6.832 -6.655 183 HG21 THR 452 HG21 THR 452 -6.434 -7.672 -8.280 184 HG22 THR 452 HG22 THR 452 -7.631 -7.466 -7.001 185 HG23 THR 452 HG23 THR 452 -7.288 -9.075 -7.640 186 H GLU 453 HN GLU 453 -5.615 -8.337 -2.726 187 HA GLU 453 HA GLU 453 -4.077 -8.988 -1.201 188 HB2 GLU 453 HB2 GLU 453 -4.235 -11.579 -2.745 189 HB3 GLU 453 HB1 GLU 453 -3.347 -11.384 -1.240 190 HG2 GLU 453 HG2 GLU 453 -5.504 -10.648 -0.189 191 HG3 GLU 453 HG1 GLU 453 -6.307 -11.159 -1.675 192 H GLU 454 HN GLU 454 -3.159 -7.504 -3.367 193 HA GLU 454 HA GLU 454 -0.582 -8.766 -4.056 194 HB2 GLU 454 HB2 GLU 454 -0.448 -7.201 -5.932 195 HB3 GLU 454 HB1 GLU 454 -1.927 -8.147 -6.006 196 HG2 GLU 454 HG2 GLU 454 -3.179 -6.249 -5.105 197 HG3 GLU 454 HG1 GLU 454 -1.693 -5.301 -5.045 198 H SER 455 HN SER 455 1.271 -7.935 -3.312 199 HA SER 455 HA SER 455 1.115 -5.383 -1.863 200 HB2 SER 455 HB2 SER 455 3.227 -6.391 -0.704 201 HB3 SER 455 HB1 SER 455 1.629 -6.969 -0.240 202 HG SER 455 HG SER 455 2.128 -8.874 -0.963 203 H THR 456 HN THR 456 2.186 -3.737 -2.707 204 HA THR 456 HA THR 456 4.670 -4.228 -4.176 205 HB THR 456 HB THR 456 3.004 -4.072 -5.938 206 HG1 THR 456 HG1 THR 456 3.880 -2.188 -7.023 207 HG21 THR 456 HG21 THR 456 1.232 -2.887 -4.834 208 HG22 THR 456 HG22 THR 456 1.712 -1.972 -6.262 209 HG23 THR 456 HG23 THR 456 2.236 -1.448 -4.662 210 H TRP 457 HN TRP 457 6.110 -2.453 -4.193 211 HA TRP 457 HA TRP 457 5.884 -0.746 -1.897 212 HB2 TRP 457 HB2 TRP 457 7.954 -0.882 -4.097 213 HB3 TRP 457 HB1 TRP 457 8.085 0.149 -2.676 214 HD1 TRP 457 HD1 TRP 457 8.390 -3.506 -3.761 215 HE1 TRP 457 HE1 TRP 457 9.465 -4.849 -1.835 216 HE3 TRP 457 HE3 TRP 457 8.292 0.084 -0.144 217 HZ2 TRP 457 HZ2 TRP 457 10.161 -4.416 0.878 218 HZ3 TRP 457 HZ3 TRP 457 9.150 -0.463 2.087 219 HH2 TRP 457 HH2 TRP 457 10.072 -2.644 2.589 220 H GLU 458 HN GLU 458 4.626 -0.561 -4.931 221 HA GLU 458 HA GLU 458 5.024 2.285 -5.355 222 HB2 GLU 458 HB2 GLU 458 5.141 0.609 -7.198 223 HB3 GLU 458 HB1 GLU 458 3.438 0.263 -6.947 224 HG2 GLU 458 HG2 GLU 458 2.837 2.484 -7.627 225 HG3 GLU 458 HG1 GLU 458 4.537 2.947 -7.741 226 H LYS 459 HN LYS 459 3.671 3.759 -4.578 227 HA LYS 459 HA LYS 459 1.398 3.115 -3.062 228 HB2 LYS 459 HB2 LYS 459 2.770 5.183 -2.798 229 HB3 LYS 459 HB1 LYS 459 2.060 5.801 -4.285 230 HG2 LYS 459 HG2 LYS 459 -0.133 5.804 -3.285 231 HG3 LYS 459 HG1 LYS 459 0.498 5.042 -1.826 232 HD2 LYS 459 HD2 LYS 459 0.207 7.390 -1.414 233 HD3 LYS 459 HD1 LYS 459 1.934 7.034 -1.469 234 HE2 LYS 459 HE2 LYS 459 2.114 7.934 -3.676 235 HE3 LYS 459 HE1 LYS 459 0.363 8.096 -3.809 236 HZ1 LYS 459 HZ1 LYS 459 1.539 10.198 -3.297 237 HZ2 LYS 459 HZ2 LYS 459 2.012 9.544 -1.806 238 HZ3 LYS 459 HZ3 LYS 459 0.365 9.782 -2.148 239 HA PRO 460 HA PRO 460 -1.586 2.420 -6.255 240 HB2 PRO 460 HB2 PRO 460 -3.778 2.450 -4.672 241 HB3 PRO 460 HB1 PRO 460 -2.646 1.094 -4.721 242 HG2 PRO 460 HG2 PRO 460 -2.815 3.346 -2.751 243 HG3 PRO 460 HG1 PRO 460 -2.611 1.610 -2.445 244 HD2 PRO 460 HD2 PRO 460 -0.529 3.302 -2.388 245 HD3 PRO 460 HD1 PRO 460 -0.367 1.647 -3.010 246 H GLN 461 HN GLN 461 -3.365 3.364 -7.265 247 HA GLN 461 HA GLN 461 -3.268 6.158 -7.559 248 HB2 GLN 461 HB2 GLN 461 -4.077 4.392 -9.193 249 HB3 GLN 461 HB1 GLN 461 -5.584 4.388 -8.311 250 HG2 GLN 461 HG2 GLN 461 -5.731 5.774 -10.299 251 HG3 GLN 461 HG1 GLN 461 -5.938 6.725 -8.831 252 HE21 GLN 461 HE21 GLN 461 -5.390 8.608 -9.892 253 HE22 GLN 461 HE22 GLN 461 -3.767 8.976 -10.359 254 H GLU 462 HN GLU 462 -5.285 4.072 -5.662 255 HA GLU 462 HA GLU 462 -7.209 6.088 -4.982 256 HB2 GLU 462 HB2 GLU 462 -8.104 4.408 -3.418 257 HB3 GLU 462 HB1 GLU 462 -7.877 3.759 -5.033 258 HG2 GLU 462 HG2 GLU 462 -5.728 2.777 -4.253 259 HG3 GLU 462 HG1 GLU 462 -6.155 3.285 -2.619 260 H LEU 463 HN LEU 463 -4.087 5.871 -4.096 261 HA LEU 463 HA LEU 463 -4.601 7.186 -1.515 262 HB2 LEU 463 HB2 LEU 463 -3.852 4.780 -1.272 263 HB3 LEU 463 HB1 LEU 463 -2.334 5.256 -2.009 264 HG LEU 463 HG LEU 463 -1.945 6.832 -0.134 265 HD11 LEU 463 HD11 LEU 463 -4.434 5.573 1.011 266 HD12 LEU 463 HD12 LEU 463 -4.247 7.251 0.501 267 HD13 LEU 463 HD13 LEU 463 -3.329 6.640 1.878 268 HD21 LEU 463 HD21 LEU 463 -1.004 4.570 -0.103 269 HD22 LEU 463 HD22 LEU 463 -2.452 3.980 0.712 270 HD23 LEU 463 HD23 LEU 463 -1.395 5.137 1.521 271 H LYS 464 HN LYS 464 -3.875 7.974 -4.358 272 HA LYS 464 HA LYS 464 -1.190 8.765 -4.530 273 HB2 LYS 464 HB2 LYS 464 -2.071 10.361 -6.302 274 HB3 LYS 464 HB1 LYS 464 -2.422 8.656 -6.542 275 HG2 LYS 464 HG2 LYS 464 -4.669 8.911 -6.017 276 HG3 LYS 464 HG1 LYS 464 -4.399 10.441 -5.180 277 HD2 LYS 464 HD2 LYS 464 -4.105 10.012 -8.154 278 HD3 LYS 464 HD1 LYS 464 -5.518 10.721 -7.368 279 HE2 LYS 464 HE2 LYS 464 -2.713 11.812 -7.441 280 HE3 LYS 464 HE1 LYS 464 -4.155 12.507 -8.180 281 HZ1 LYS 464 HZ1 LYS 464 -5.073 12.838 -5.948 282 HZ2 LYS 464 HZ2 LYS 464 -3.602 13.663 -6.151 283 HZ3 LYS 464 HZ3 LYS 464 -3.647 12.215 -5.263 Start of MODEL 10 1 H1 GLY 428 HT1 GLY 428 -11.857 15.480 -1.433 2 H2 GLY 428 HT2 GLY 428 -11.322 15.253 -3.027 3 H3 GLY 428 HT3 GLY 428 -10.219 15.699 -1.821 4 HA2 GLY 428 HA1 GLY 428 -11.724 13.148 -1.859 5 HA3 GLY 428 HA2 GLY 428 -10.067 13.336 -2.419 6 H ALA 429 HN ALA 429 -10.743 11.558 -0.405 7 HA ALA 429 HA ALA 429 -9.061 12.630 1.723 8 HB1 ALA 429 HB1 ALA 429 -11.745 11.362 2.295 9 HB2 ALA 429 HB2 ALA 429 -11.345 13.068 2.507 10 HB3 ALA 429 HB3 ALA 429 -10.547 11.845 3.495 11 H THR 430 HN THR 430 -7.417 11.231 1.544 12 HA THR 430 HA THR 430 -8.100 8.390 1.231 13 HB THR 430 HB THR 430 -6.874 9.175 -0.700 14 HG1 THR 430 HG1 THR 430 -6.173 7.173 -0.401 15 HG21 THR 430 HG21 THR 430 -5.738 11.099 0.295 16 HG22 THR 430 HG22 THR 430 -4.589 10.044 -0.529 17 HG23 THR 430 HG23 THR 430 -4.709 10.015 1.230 18 H ALA 431 HN ALA 431 -7.693 7.105 2.834 19 HA ALA 431 HA ALA 431 -5.320 7.218 4.411 20 HB1 ALA 431 HB1 ALA 431 -6.584 8.956 5.579 21 HB2 ALA 431 HB2 ALA 431 -6.388 7.527 6.595 22 HB3 ALA 431 HB3 ALA 431 -7.931 7.839 5.798 23 H VAL 432 HN VAL 432 -4.941 5.124 3.995 24 HA VAL 432 HA VAL 432 -5.193 2.876 3.806 25 HB VAL 432 HB VAL 432 -7.172 3.136 6.083 26 HG11 VAL 432 HG11 VAL 432 -5.370 0.863 5.246 27 HG12 VAL 432 HG12 VAL 432 -7.121 0.933 5.042 28 HG13 VAL 432 HG13 VAL 432 -6.423 0.875 6.660 29 HG21 VAL 432 HG21 VAL 432 -5.126 4.322 6.659 30 HG22 VAL 432 HG22 VAL 432 -4.163 2.915 6.209 31 HG23 VAL 432 HG23 VAL 432 -5.256 2.830 7.589 32 H SER 433 HN SER 433 -6.294 3.545 1.757 33 HA SER 433 HA SER 433 -9.148 2.875 1.757 34 HB2 SER 433 HB2 SER 433 -8.795 3.880 -0.693 35 HB3 SER 433 HB1 SER 433 -9.062 4.916 0.711 36 HG SER 433 HG SER 433 -7.063 5.080 -0.887 37 H GLU 434 HN GLU 434 -9.109 0.710 1.707 38 HA GLU 434 HA GLU 434 -9.093 -1.376 0.855 39 HB2 GLU 434 HB2 GLU 434 -9.695 -0.149 -1.315 40 HB3 GLU 434 HB1 GLU 434 -8.009 -0.366 -1.758 41 HG2 GLU 434 HG2 GLU 434 -9.308 -2.131 -2.723 42 HG3 GLU 434 HG1 GLU 434 -8.269 -2.791 -1.464 43 H TRP 435 HN TRP 435 -6.276 0.584 0.441 44 HA TRP 435 HA TRP 435 -4.562 -1.779 0.525 45 HB2 TRP 435 HB2 TRP 435 -3.816 1.114 0.106 46 HB3 TRP 435 HB1 TRP 435 -2.706 -0.260 0.121 47 HD1 TRP 435 HD1 TRP 435 -5.696 1.094 -1.996 48 HE1 TRP 435 HE1 TRP 435 -5.369 0.306 -4.419 49 HE3 TRP 435 HE3 TRP 435 -1.507 -1.785 -1.367 50 HZ2 TRP 435 HZ2 TRP 435 -3.567 -1.297 -5.878 51 HZ3 TRP 435 HZ3 TRP 435 -0.543 -2.900 -3.336 52 HH2 TRP 435 HH2 TRP 435 -1.554 -2.660 -5.544 53 H THR 436 HN THR 436 -2.998 -2.009 2.001 54 HA THR 436 HA THR 436 -3.229 -0.454 4.490 55 HB THR 436 HB THR 436 -2.691 -3.379 4.055 56 HG1 THR 436 HG1 THR 436 -5.004 -1.925 4.523 57 HG21 THR 436 HG21 THR 436 -1.530 -2.547 6.041 58 HG22 THR 436 HG22 THR 436 -2.872 -3.589 6.509 59 HG23 THR 436 HG23 THR 436 -3.030 -1.837 6.636 60 H GLU 437 HN GLU 437 -1.207 0.071 5.473 61 HA GLU 437 HA GLU 437 1.142 -0.714 3.888 62 HB2 GLU 437 HB2 GLU 437 2.097 1.447 4.143 63 HB3 GLU 437 HB1 GLU 437 0.447 1.676 3.596 64 HG2 GLU 437 HG2 GLU 437 1.353 1.945 6.444 65 HG3 GLU 437 HG1 GLU 437 1.183 3.285 5.320 66 H TYR 438 HN TYR 438 2.775 -1.611 4.905 67 HA TYR 438 HA TYR 438 3.058 -1.270 7.820 68 HB2 TYR 438 HB2 TYR 438 3.450 -3.836 6.260 69 HB3 TYR 438 HB1 TYR 438 3.875 -3.617 7.949 70 HD1 TYR 438 HD1 TYR 438 1.885 -2.884 9.515 71 HD2 TYR 438 HD2 TYR 438 1.407 -4.746 5.719 72 HE1 TYR 438 HE1 TYR 438 -0.356 -3.654 10.180 73 HE2 TYR 438 HE2 TYR 438 -0.834 -5.514 6.371 74 HH TYR 438 HH TYR 438 -2.446 -4.360 9.153 75 H LYS 439 HN LYS 439 5.124 -0.797 8.460 76 HA LYS 439 HA LYS 439 7.139 -0.582 6.353 77 HB2 LYS 439 HB2 LYS 439 6.706 1.334 7.958 78 HB3 LYS 439 HB1 LYS 439 7.405 0.333 9.222 79 HG2 LYS 439 HG2 LYS 439 9.214 1.601 8.612 80 HG3 LYS 439 HG1 LYS 439 9.442 0.183 7.596 81 HD2 LYS 439 HD2 LYS 439 9.848 1.995 6.140 82 HD3 LYS 439 HD1 LYS 439 8.245 1.476 5.712 83 HE2 LYS 439 HE2 LYS 439 8.082 3.825 5.870 84 HE3 LYS 439 HE1 LYS 439 7.395 3.265 7.395 85 HZ1 LYS 439 HZ1 LYS 439 9.641 3.638 8.390 86 HZ2 LYS 439 HZ2 LYS 439 8.859 5.052 7.878 87 HZ3 LYS 439 HZ3 LYS 439 10.099 4.387 6.942 88 H THR 440 HN THR 440 8.501 -2.135 6.019 89 HA THR 440 HA THR 440 8.775 -4.296 7.943 90 HB THR 440 HB THR 440 10.191 -5.242 5.950 91 HG1 THR 440 HG1 THR 440 10.345 -3.688 4.478 92 HG21 THR 440 HG21 THR 440 8.028 -6.129 6.668 93 HG22 THR 440 HG22 THR 440 8.148 -6.101 4.909 94 HG23 THR 440 HG23 THR 440 7.200 -4.872 5.750 95 H ALA 441 HN ALA 441 10.811 -5.123 8.594 96 HA ALA 441 HA ALA 441 12.446 -3.339 9.838 97 HB1 ALA 441 HB1 ALA 441 13.287 -6.064 8.889 98 HB2 ALA 441 HB2 ALA 441 12.309 -5.736 10.321 99 HB3 ALA 441 HB3 ALA 441 13.973 -5.154 10.236 100 H ASP 442 HN ASP 442 12.683 -4.090 6.444 101 HA ASP 442 HA ASP 442 15.411 -3.222 6.174 102 HB2 ASP 442 HB2 ASP 442 15.044 -3.277 3.784 103 HB3 ASP 442 HB1 ASP 442 14.329 -4.713 4.505 104 H GLY 443 HN GLY 443 12.645 -1.653 6.967 105 HA2 GLY 443 HA2 GLY 443 12.664 0.550 7.716 106 HA3 GLY 443 HA1 GLY 443 14.022 0.889 6.664 107 H LYS 444 HN LYS 444 11.128 -0.651 5.335 108 HA LYS 444 HA LYS 444 9.962 1.963 4.738 109 HB2 LYS 444 HB2 LYS 444 10.022 0.154 2.622 110 HB3 LYS 444 HB1 LYS 444 9.914 1.853 2.540 111 HG2 LYS 444 HG2 LYS 444 12.295 2.079 2.909 112 HG3 LYS 444 HG1 LYS 444 12.456 0.336 3.122 113 HD2 LYS 444 HD2 LYS 444 11.519 1.654 0.574 114 HD3 LYS 444 HD1 LYS 444 13.188 1.169 0.885 115 HE2 LYS 444 HE2 LYS 444 12.400 -1.153 1.228 116 HE3 LYS 444 HE1 LYS 444 10.773 -0.635 0.793 117 HZ1 LYS 444 HZ1 LYS 444 11.846 -1.613 -1.099 118 HZ2 LYS 444 HZ2 LYS 444 13.175 -0.578 -0.951 119 HZ3 LYS 444 HZ3 LYS 444 11.658 0.049 -1.387 120 H THR 445 HN THR 445 7.920 1.797 3.493 121 HA THR 445 HA THR 445 6.293 -0.361 4.611 122 HB THR 445 HB THR 445 4.377 1.116 3.855 123 HG1 THR 445 HG1 THR 445 6.281 2.459 2.682 124 HG21 THR 445 HG21 THR 445 4.569 2.635 5.778 125 HG22 THR 445 HG22 THR 445 6.270 2.200 5.937 126 HG23 THR 445 HG23 THR 445 5.021 0.981 6.191 127 H TYR 446 HN TYR 446 5.111 -1.693 3.449 128 HA TYR 446 HA TYR 446 5.193 -1.416 0.520 129 HB2 TYR 446 HB2 TYR 446 5.060 -3.816 0.342 130 HB3 TYR 446 HB1 TYR 446 6.376 -3.431 1.432 131 HD1 TYR 446 HD1 TYR 446 6.190 -3.892 3.824 132 HD2 TYR 446 HD2 TYR 446 3.075 -4.966 1.131 133 HE1 TYR 446 HE1 TYR 446 5.217 -5.355 5.541 134 HE2 TYR 446 HE2 TYR 446 2.093 -6.433 2.843 135 HH TYR 446 HH TYR 446 2.609 -7.543 4.844 136 H TYR 447 HN TYR 447 3.242 -1.623 -0.581 137 HA TYR 447 HA TYR 447 0.940 -1.198 1.168 138 HB2 TYR 447 HB2 TYR 447 1.331 -0.536 -1.756 139 HB3 TYR 447 HB1 TYR 447 -0.130 -0.193 -0.831 140 HD1 TYR 447 HD2 TYR 447 0.595 0.932 1.596 141 HD2 TYR 447 HD1 TYR 447 2.622 1.359 -2.120 142 HE1 TYR 447 HE2 TYR 447 1.582 3.035 2.394 143 HE2 TYR 447 HE1 TYR 447 3.620 3.469 -1.338 144 HH TYR 447 HH TYR 447 3.539 4.434 1.923 145 H TYR 448 HN TYR 448 -0.445 -2.710 1.482 146 HA TYR 448 HA TYR 448 -0.572 -5.004 -0.354 147 HB2 TYR 448 HB2 TYR 448 0.124 -5.605 1.868 148 HB3 TYR 448 HB1 TYR 448 -1.201 -4.704 2.588 149 HD1 TYR 448 HD1 TYR 448 -0.245 -7.795 0.861 150 HD2 TYR 448 HD2 TYR 448 -3.436 -5.635 2.675 151 HE1 TYR 448 HE1 TYR 448 -1.593 -9.849 0.931 152 HE2 TYR 448 HE2 TYR 448 -4.792 -7.685 2.742 153 HH TYR 448 HH TYR 448 -3.496 -10.759 2.238 154 H ASN 449 HN ASN 449 -2.329 -5.194 -1.569 155 HA ASN 449 HA ASN 449 -4.715 -3.635 -0.882 156 HB2 ASN 449 HB2 ASN 449 -3.801 -3.400 -3.171 157 HB3 ASN 449 HB1 ASN 449 -4.078 -5.117 -3.435 158 HD21 ASN 449 HD21 ASN 449 -5.614 -2.010 -2.974 159 HD22 ASN 449 HD22 ASN 449 -7.160 -2.486 -3.576 160 H ASN 450 HN ASN 450 -6.576 -4.520 -0.289 161 HA ASN 450 HA ASN 450 -6.475 -7.284 0.535 162 HB2 ASN 450 HB2 ASN 450 -8.476 -5.076 1.001 163 HB3 ASN 450 HB1 ASN 450 -8.686 -6.709 1.619 164 HD21 ASN 450 HD21 ASN 450 -6.909 -3.742 1.890 165 HD22 ASN 450 HD22 ASN 450 -6.131 -4.115 3.392 166 H ARG 451 HN ARG 451 -7.450 -5.866 -2.311 167 HA ARG 451 HA ARG 451 -9.758 -7.604 -2.734 168 HB2 ARG 451 HB2 ARG 451 -8.366 -5.759 -4.690 169 HB3 ARG 451 HB1 ARG 451 -9.883 -6.594 -4.970 170 HG2 ARG 451 HG2 ARG 451 -10.974 -5.276 -3.281 171 HG3 ARG 451 HG1 ARG 451 -9.442 -4.512 -2.846 172 HD2 ARG 451 HD2 ARG 451 -10.848 -4.297 -5.512 173 HD3 ARG 451 HD1 ARG 451 -10.775 -3.044 -4.273 174 HE ARG 451 HE ARG 451 -8.376 -4.054 -5.676 175 HH11 ARG 451 HH11 ARG 451 -10.338 -1.405 -4.472 176 HH12 ARG 451 HH12 ARG 451 -9.147 -0.190 -4.846 177 HH21 ARG 451 HH21 ARG 451 -6.826 -2.428 -6.214 178 HH22 ARG 451 HH22 ARG 451 -7.181 -0.762 -5.834 179 H THR 452 HN THR 452 -6.380 -7.526 -3.309 180 HA THR 452 HA THR 452 -6.555 -9.853 -5.102 181 HB THR 452 HB THR 452 -4.528 -8.797 -6.267 182 HG1 THR 452 HG1 THR 452 -4.506 -6.463 -6.034 183 HG21 THR 452 HG21 THR 452 -6.748 -8.911 -7.312 184 HG22 THR 452 HG22 THR 452 -5.929 -7.398 -7.710 185 HG23 THR 452 HG23 THR 452 -7.206 -7.417 -6.493 186 H GLU 453 HN GLU 453 -5.464 -8.745 -2.224 187 HA GLU 453 HA GLU 453 -3.835 -9.269 -0.737 188 HB2 GLU 453 HB2 GLU 453 -3.661 -11.732 -2.481 189 HB3 GLU 453 HB1 GLU 453 -2.806 -11.553 -0.958 190 HG2 GLU 453 HG2 GLU 453 -4.689 -12.812 -0.439 191 HG3 GLU 453 HG1 GLU 453 -5.094 -11.183 0.094 192 H GLU 454 HN GLU 454 -3.099 -7.641 -3.045 193 HA GLU 454 HA GLU 454 -0.498 -8.727 -3.864 194 HB2 GLU 454 HB2 GLU 454 -0.520 -7.160 -5.665 195 HB3 GLU 454 HB1 GLU 454 -2.112 -7.899 -5.588 196 HG2 GLU 454 HG2 GLU 454 -2.968 -5.914 -4.446 197 HG3 GLU 454 HG1 GLU 454 -1.372 -5.170 -4.554 198 H SER 455 HN SER 455 1.450 -7.617 -3.621 199 HA SER 455 HA SER 455 1.343 -5.298 -1.805 200 HB2 SER 455 HB2 SER 455 3.476 -7.443 -1.825 201 HB3 SER 455 HB1 SER 455 3.349 -6.093 -0.699 202 HG SER 455 HG SER 455 1.061 -7.558 -0.808 203 H THR 456 HN THR 456 1.994 -3.542 -2.848 204 HA THR 456 HA THR 456 4.284 -3.790 -4.680 205 HB THR 456 HB THR 456 2.198 -3.379 -5.962 206 HG1 THR 456 HG1 THR 456 4.416 -2.366 -6.408 207 HG21 THR 456 HG21 THR 456 0.959 -2.101 -4.284 208 HG22 THR 456 HG22 THR 456 1.086 -1.199 -5.793 209 HG23 THR 456 HG23 THR 456 2.117 -0.777 -4.426 210 H TRP 457 HN TRP 457 5.731 -2.019 -4.723 211 HA TRP 457 HA TRP 457 5.741 -0.529 -2.210 212 HB2 TRP 457 HB2 TRP 457 7.886 -0.942 -4.301 213 HB3 TRP 457 HB1 TRP 457 8.096 0.006 -2.832 214 HD1 TRP 457 HD1 TRP 457 7.872 -3.614 -4.050 215 HE1 TRP 457 HE1 TRP 457 8.589 -5.175 -2.126 216 HE3 TRP 457 HE3 TRP 457 8.129 -0.179 -0.289 217 HZ2 TRP 457 HZ2 TRP 457 9.171 -4.958 0.641 218 HZ3 TRP 457 HZ3 TRP 457 8.749 -0.936 1.958 219 HH2 TRP 457 HH2 TRP 457 9.270 -3.252 2.418 220 H GLU 458 HN GLU 458 4.431 0.000 -5.101 221 HA GLU 458 HA GLU 458 5.295 2.790 -5.332 222 HB2 GLU 458 HB2 GLU 458 5.222 1.393 -7.389 223 HB3 GLU 458 HB1 GLU 458 3.489 1.195 -7.162 224 HG2 GLU 458 HG2 GLU 458 4.021 2.905 -8.835 225 HG3 GLU 458 HG1 GLU 458 3.138 3.569 -7.463 226 H LYS 459 HN LYS 459 3.789 4.500 -5.323 227 HA LYS 459 HA LYS 459 1.792 4.209 -3.304 228 HB2 LYS 459 HB2 LYS 459 3.283 6.258 -3.929 229 HB3 LYS 459 HB1 LYS 459 2.011 6.611 -5.090 230 HG2 LYS 459 HG2 LYS 459 0.377 6.703 -3.271 231 HG3 LYS 459 HG1 LYS 459 1.664 6.367 -2.108 232 HD2 LYS 459 HD2 LYS 459 2.764 8.450 -3.382 233 HD3 LYS 459 HD1 LYS 459 1.059 8.842 -3.617 234 HE2 LYS 459 HE2 LYS 459 2.330 8.236 -0.952 235 HE3 LYS 459 HE1 LYS 459 2.064 9.858 -1.583 236 HZ1 LYS 459 HZ1 LYS 459 -0.118 7.896 -1.144 237 HZ2 LYS 459 HZ2 LYS 459 -0.274 9.542 -1.508 238 HZ3 LYS 459 HZ3 LYS 459 0.347 9.061 -0.005 239 HA PRO 460 HA PRO 460 -1.352 2.690 -6.070 240 HB2 PRO 460 HB2 PRO 460 -3.078 3.206 -3.720 241 HB3 PRO 460 HB1 PRO 460 -2.812 1.708 -4.614 242 HG2 PRO 460 HG2 PRO 460 -1.768 2.038 -2.193 243 HG3 PRO 460 HG1 PRO 460 -0.847 1.224 -3.473 244 HD2 PRO 460 HD2 PRO 460 -0.613 4.038 -2.472 245 HD3 PRO 460 HD1 PRO 460 0.670 2.874 -2.871 246 H GLN 461 HN GLN 461 -3.191 3.398 -7.128 247 HA GLN 461 HA GLN 461 -3.336 6.156 -7.679 248 HB2 GLN 461 HB2 GLN 461 -4.072 3.969 -9.007 249 HB3 GLN 461 HB1 GLN 461 -5.627 4.325 -8.281 250 HG2 GLN 461 HG2 GLN 461 -4.050 6.144 -10.090 251 HG3 GLN 461 HG1 GLN 461 -5.464 5.198 -10.538 252 HE21 GLN 461 HE21 GLN 461 -7.502 5.801 -9.703 253 HE22 GLN 461 HE22 GLN 461 -7.783 7.425 -9.160 254 H GLU 462 HN GLU 462 -5.160 4.033 -5.575 255 HA GLU 462 HA GLU 462 -7.082 6.123 -4.932 256 HB2 GLU 462 HB2 GLU 462 -8.188 4.342 -3.603 257 HB3 GLU 462 HB1 GLU 462 -7.976 3.914 -5.288 258 HG2 GLU 462 HG2 GLU 462 -5.743 2.851 -4.304 259 HG3 GLU 462 HG1 GLU 462 -6.781 2.729 -2.882 260 H LEU 463 HN LEU 463 -4.066 5.501 -3.963 261 HA LEU 463 HA LEU 463 -4.585 6.393 -1.204 262 HB2 LEU 463 HB2 LEU 463 -3.904 3.964 -1.398 263 HB3 LEU 463 HB1 LEU 463 -2.372 4.516 -2.043 264 HG LEU 463 HG LEU 463 -1.944 5.721 0.085 265 HD11 LEU 463 HD11 LEU 463 -3.328 5.202 2.037 266 HD12 LEU 463 HD12 LEU 463 -4.454 4.326 1.001 267 HD13 LEU 463 HD13 LEU 463 -4.241 6.063 0.798 268 HD21 LEU 463 HD21 LEU 463 -1.482 3.719 1.423 269 HD22 LEU 463 HD22 LEU 463 -1.023 3.499 -0.265 270 HD23 LEU 463 HD23 LEU 463 -2.508 2.771 0.348 271 H LYS 464 HN LYS 464 -3.919 7.763 -3.758 272 HA LYS 464 HA LYS 464 -1.200 8.641 -3.517 273 HB2 LYS 464 HB2 LYS 464 -1.799 10.250 -5.311 274 HB3 LYS 464 HB1 LYS 464 -2.162 8.582 -5.722 275 HG2 LYS 464 HG2 LYS 464 -4.505 8.937 -5.317 276 HG3 LYS 464 HG1 LYS 464 -4.191 10.567 -4.717 277 HD2 LYS 464 HD2 LYS 464 -3.330 11.196 -6.932 278 HD3 LYS 464 HD1 LYS 464 -3.694 9.575 -7.525 279 HE2 LYS 464 HE2 LYS 464 -5.701 11.547 -6.439 280 HE3 LYS 464 HE1 LYS 464 -5.434 11.193 -8.143 281 HZ1 LYS 464 HZ1 LYS 464 -6.539 9.391 -6.061 282 HZ2 LYS 464 HZ2 LYS 464 -6.005 8.829 -7.569 283 HZ3 LYS 464 HZ3 LYS 464 -7.289 9.932 -7.488 Start of MODEL 11 1 H1 GLY 428 HT1 GLY 428 -16.132 16.545 -4.627 2 H2 GLY 428 HT2 GLY 428 -15.725 17.802 -3.561 3 H3 GLY 428 HT3 GLY 428 -16.069 16.255 -2.957 4 HA2 GLY 428 HA1 GLY 428 -13.764 16.947 -4.688 5 HA3 GLY 428 HA2 GLY 428 -13.691 16.688 -2.948 6 H ALA 429 HN ALA 429 -12.047 15.074 -3.871 7 HA ALA 429 HA ALA 429 -13.462 12.543 -4.401 8 HB1 ALA 429 HB1 ALA 429 -10.725 13.330 -5.386 9 HB2 ALA 429 HB2 ALA 429 -12.196 13.280 -6.359 10 HB3 ALA 429 HB3 ALA 429 -11.535 11.792 -5.679 11 H THR 430 HN THR 430 -13.566 11.903 -2.268 12 HA THR 430 HA THR 430 -10.981 11.108 -1.143 13 HB THR 430 HB THR 430 -11.550 13.020 0.174 14 HG1 THR 430 HG1 THR 430 -11.318 12.057 2.080 15 HG21 THR 430 HG21 THR 430 -13.687 13.230 1.383 16 HG22 THR 430 HG22 THR 430 -14.279 11.782 0.569 17 HG23 THR 430 HG23 THR 430 -13.911 13.231 -0.367 18 H ALA 431 HN ALA 431 -11.015 8.999 -1.376 19 HA ALA 431 HA ALA 431 -12.819 7.401 0.142 20 HB1 ALA 431 HB1 ALA 431 -13.008 7.167 -2.863 21 HB2 ALA 431 HB2 ALA 431 -14.261 7.805 -1.798 22 HB3 ALA 431 HB3 ALA 431 -13.789 6.109 -1.690 23 H VAL 432 HN VAL 432 -10.924 6.613 1.046 24 HA VAL 432 HA VAL 432 -9.493 4.715 -0.653 25 HB VAL 432 HB VAL 432 -8.007 6.589 -0.682 26 HG11 VAL 432 HG11 VAL 432 -8.187 6.639 2.328 27 HG12 VAL 432 HG12 VAL 432 -8.865 7.837 1.224 28 HG13 VAL 432 HG13 VAL 432 -7.117 7.636 1.344 29 HG21 VAL 432 HG21 VAL 432 -7.047 4.551 1.322 30 HG22 VAL 432 HG22 VAL 432 -6.017 5.648 0.401 31 HG23 VAL 432 HG23 VAL 432 -6.959 4.412 -0.434 32 H SER 433 HN SER 433 -9.833 2.823 0.226 33 HA SER 433 HA SER 433 -8.894 2.224 2.828 34 HB2 SER 433 HB2 SER 433 -11.196 1.290 3.578 35 HB3 SER 433 HB1 SER 433 -10.909 3.023 3.736 36 HG SER 433 HG SER 433 -12.580 3.290 2.508 37 H GLU 434 HN GLU 434 -8.096 1.256 0.507 38 HA GLU 434 HA GLU 434 -9.097 -1.506 0.590 39 HB2 GLU 434 HB2 GLU 434 -9.782 -0.381 -1.526 40 HB3 GLU 434 HB1 GLU 434 -8.093 -0.114 -1.897 41 HG2 GLU 434 HG2 GLU 434 -7.685 -2.353 -2.265 42 HG3 GLU 434 HG1 GLU 434 -9.107 -2.871 -1.364 43 H TRP 435 HN TRP 435 -6.416 0.639 0.626 44 HA TRP 435 HA TRP 435 -4.612 -1.673 0.492 45 HB2 TRP 435 HB2 TRP 435 -3.901 1.214 -0.018 46 HB3 TRP 435 HB1 TRP 435 -2.785 -0.154 0.018 47 HD1 TRP 435 HD1 TRP 435 -5.928 0.932 -2.036 48 HE1 TRP 435 HE1 TRP 435 -5.600 0.140 -4.464 49 HE3 TRP 435 HE3 TRP 435 -1.448 -1.470 -1.493 50 HZ2 TRP 435 HZ2 TRP 435 -3.677 -1.297 -5.946 51 HZ3 TRP 435 HZ3 TRP 435 -0.427 -2.514 -3.467 52 HH2 TRP 435 HH2 TRP 435 -1.517 -2.431 -5.650 53 H THR 436 HN THR 436 -2.983 -1.838 1.871 54 HA THR 436 HA THR 436 -3.115 -0.256 4.346 55 HB THR 436 HB THR 436 -2.751 -3.213 4.002 56 HG1 THR 436 HG1 THR 436 -4.986 -1.695 4.919 57 HG21 THR 436 HG21 THR 436 -3.039 -1.551 6.513 58 HG22 THR 436 HG22 THR 436 -1.574 -2.370 5.970 59 HG23 THR 436 HG23 THR 436 -2.980 -3.313 6.466 60 H GLU 437 HN GLU 437 -1.079 0.396 5.043 61 HA GLU 437 HA GLU 437 1.183 -0.839 3.630 62 HB2 GLU 437 HB2 GLU 437 2.334 1.253 3.569 63 HB3 GLU 437 HB1 GLU 437 0.729 1.486 2.909 64 HG2 GLU 437 HG2 GLU 437 1.550 2.218 5.683 65 HG3 GLU 437 HG1 GLU 437 1.512 3.333 4.329 66 H TYR 438 HN TYR 438 2.759 -1.628 4.749 67 HA TYR 438 HA TYR 438 2.906 -1.126 7.647 68 HB2 TYR 438 HB2 TYR 438 3.353 -3.740 6.178 69 HB3 TYR 438 HB1 TYR 438 3.727 -3.481 7.876 70 HD1 TYR 438 HD1 TYR 438 1.694 -2.655 9.347 71 HD2 TYR 438 HD2 TYR 438 1.319 -4.651 5.608 72 HE1 TYR 438 HE1 TYR 438 -0.580 -3.363 9.960 73 HE2 TYR 438 HE2 TYR 438 -0.954 -5.360 6.211 74 HH TYR 438 HH TYR 438 -2.674 -4.049 8.787 75 H LYS 439 HN LYS 439 4.987 -0.891 8.489 76 HA LYS 439 HA LYS 439 7.057 -0.447 6.490 77 HB2 LYS 439 HB2 LYS 439 6.555 1.144 8.440 78 HB3 LYS 439 HB1 LYS 439 7.333 -0.048 9.466 79 HG2 LYS 439 HG2 LYS 439 9.040 1.440 9.052 80 HG3 LYS 439 HG1 LYS 439 9.332 0.194 7.844 81 HD2 LYS 439 HD2 LYS 439 9.621 2.198 6.661 82 HD3 LYS 439 HD1 LYS 439 8.033 1.675 6.172 83 HE2 LYS 439 HE2 LYS 439 8.792 3.883 8.120 84 HE3 LYS 439 HE1 LYS 439 7.849 4.005 6.640 85 HZ1 LYS 439 HZ1 LYS 439 6.065 2.771 7.766 86 HZ2 LYS 439 HZ2 LYS 439 6.427 4.224 8.552 87 HZ3 LYS 439 HZ3 LYS 439 6.976 2.757 9.193 88 H THR 440 HN THR 440 8.438 -1.905 5.973 89 HA THR 440 HA THR 440 8.655 -4.378 7.470 90 HB THR 440 HB THR 440 10.197 -4.872 5.371 91 HG1 THR 440 HG1 THR 440 10.201 -2.850 4.414 92 HG21 THR 440 HG21 THR 440 7.194 -4.661 5.193 93 HG22 THR 440 HG22 THR 440 8.096 -6.017 5.871 94 HG23 THR 440 HG23 THR 440 8.222 -5.644 4.151 95 H ALA 441 HN ALA 441 10.640 -5.264 8.114 96 HA ALA 441 HA ALA 441 12.354 -3.745 9.563 97 HB1 ALA 441 HB1 ALA 441 13.095 -6.309 8.173 98 HB2 ALA 441 HB2 ALA 441 12.195 -6.179 9.683 99 HB3 ALA 441 HB3 ALA 441 13.868 -5.630 9.607 100 H ASP 442 HN ASP 442 12.450 -3.975 6.105 101 HA ASP 442 HA ASP 442 15.166 -3.171 5.731 102 HB2 ASP 442 HB2 ASP 442 14.664 -2.981 3.467 103 HB3 ASP 442 HB1 ASP 442 13.461 -4.152 3.998 104 H GLY 443 HN GLY 443 12.517 -1.656 7.002 105 HA2 GLY 443 HA2 GLY 443 12.608 0.394 8.102 106 HA3 GLY 443 HA1 GLY 443 13.935 0.876 7.066 107 H LYS 444 HN LYS 444 11.159 -0.406 5.363 108 HA LYS 444 HA LYS 444 9.867 2.240 5.396 109 HB2 LYS 444 HB2 LYS 444 9.915 0.943 2.925 110 HB3 LYS 444 HB1 LYS 444 9.826 2.616 3.222 111 HG2 LYS 444 HG2 LYS 444 12.251 2.638 3.754 112 HG3 LYS 444 HG1 LYS 444 12.340 0.957 3.224 113 HD2 LYS 444 HD2 LYS 444 11.453 3.286 1.522 114 HD3 LYS 444 HD1 LYS 444 13.046 2.530 1.468 115 HE2 LYS 444 HE2 LYS 444 10.454 1.094 0.917 116 HE3 LYS 444 HE1 LYS 444 11.503 1.768 -0.328 117 HZ1 LYS 444 HZ1 LYS 444 11.902 -0.591 -0.013 118 HZ2 LYS 444 HZ2 LYS 444 12.270 -0.352 1.621 119 HZ3 LYS 444 HZ3 LYS 444 13.274 0.300 0.417 120 H THR 445 HN THR 445 7.888 2.185 3.914 121 HA THR 445 HA THR 445 6.278 -0.100 4.736 122 HB THR 445 HB THR 445 4.411 1.492 3.869 123 HG1 THR 445 HG1 THR 445 5.447 3.161 2.957 124 HG21 THR 445 HG21 THR 445 4.717 0.921 6.223 125 HG22 THR 445 HG22 THR 445 4.328 2.631 6.043 126 HG23 THR 445 HG23 THR 445 5.988 2.134 6.364 127 H TYR 446 HN TYR 446 5.084 -1.321 3.417 128 HA TYR 446 HA TYR 446 5.300 -0.883 0.505 129 HB2 TYR 446 HB2 TYR 446 5.185 -3.270 0.178 130 HB3 TYR 446 HB1 TYR 446 6.447 -2.966 1.354 131 HD1 TYR 446 HD1 TYR 446 6.141 -3.577 3.708 132 HD2 TYR 446 HD2 TYR 446 3.159 -4.432 0.797 133 HE1 TYR 446 HE1 TYR 446 5.071 -5.144 5.269 134 HE2 TYR 446 HE2 TYR 446 2.080 -5.999 2.353 135 HH TYR 446 HH TYR 446 2.661 -7.338 4.310 136 H TYR 447 HN TYR 447 3.355 -1.314 -0.718 137 HA TYR 447 HA TYR 447 0.982 -0.884 0.945 138 HB2 TYR 447 HB2 TYR 447 1.427 -0.307 -1.989 139 HB3 TYR 447 HB1 TYR 447 -0.055 0.028 -1.099 140 HD1 TYR 447 HD1 TYR 447 0.169 1.523 0.981 141 HD2 TYR 447 HD2 TYR 447 3.104 1.325 -2.081 142 HE1 TYR 447 HE1 TYR 447 1.082 3.674 1.752 143 HE2 TYR 447 HE2 TYR 447 4.016 3.493 -1.356 144 HH TYR 447 HH TYR 447 3.074 4.993 1.606 145 H TYR 448 HN TYR 448 -0.508 -2.319 1.146 146 HA TYR 448 HA TYR 448 -0.518 -4.677 -0.615 147 HB2 TYR 448 HB2 TYR 448 0.185 -5.266 1.593 148 HB3 TYR 448 HB1 TYR 448 -1.120 -4.351 2.327 149 HD1 TYR 448 HD1 TYR 448 -0.187 -7.488 0.685 150 HD2 TYR 448 HD2 TYR 448 -3.371 -5.278 2.442 151 HE1 TYR 448 HE1 TYR 448 -1.522 -9.548 0.852 152 HE2 TYR 448 HE2 TYR 448 -4.714 -7.329 2.607 153 HH TYR 448 HH TYR 448 -4.827 -9.560 1.474 154 H ASN 449 HN ASN 449 -2.254 -4.868 -1.858 155 HA ASN 449 HA ASN 449 -4.705 -3.403 -1.218 156 HB2 ASN 449 HB2 ASN 449 -3.876 -3.357 -3.552 157 HB3 ASN 449 HB1 ASN 449 -4.039 -5.105 -3.629 158 HD21 ASN 449 HD21 ASN 449 -5.771 -2.067 -3.546 159 HD22 ASN 449 HD22 ASN 449 -7.292 -2.712 -4.062 160 H ASN 450 HN ASN 450 -6.510 -4.337 -0.461 161 HA ASN 450 HA ASN 450 -6.156 -6.962 0.649 162 HB2 ASN 450 HB2 ASN 450 -8.259 -4.841 0.959 163 HB3 ASN 450 HB1 ASN 450 -8.468 -6.448 1.652 164 HD21 ASN 450 HD21 ASN 450 -6.632 -3.483 1.782 165 HD22 ASN 450 HD22 ASN 450 -5.880 -3.785 3.311 166 H ARG 451 HN ARG 451 -7.641 -5.832 -2.225 167 HA ARG 451 HA ARG 451 -9.548 -8.013 -2.352 168 HB2 ARG 451 HB2 ARG 451 -8.753 -5.818 -4.213 169 HB3 ARG 451 HB1 ARG 451 -9.544 -7.238 -4.877 170 HG2 ARG 451 HG2 ARG 451 -11.409 -6.858 -3.263 171 HG3 ARG 451 HG1 ARG 451 -10.633 -5.334 -2.819 172 HD2 ARG 451 HD2 ARG 451 -11.544 -6.099 -5.595 173 HD3 ARG 451 HD1 ARG 451 -12.392 -5.003 -4.502 174 HE ARG 451 HE ARG 451 -10.478 -3.500 -4.668 175 HH11 ARG 451 HH11 ARG 451 -10.782 -5.989 -7.134 176 HH12 ARG 451 HH12 ARG 451 -9.765 -5.148 -8.270 177 HH21 ARG 451 HH21 ARG 451 -9.129 -2.432 -6.139 178 HH22 ARG 451 HH22 ARG 451 -8.834 -3.130 -7.713 179 H THR 452 HN THR 452 -6.603 -7.126 -4.140 180 HA THR 452 HA THR 452 -6.471 -9.766 -5.329 181 HB THR 452 HB THR 452 -4.328 -8.778 -6.340 182 HG1 THR 452 HG1 THR 452 -4.189 -6.495 -6.177 183 HG21 THR 452 HG21 THR 452 -5.587 -7.442 -7.966 184 HG22 THR 452 HG22 THR 452 -6.967 -7.398 -6.868 185 HG23 THR 452 HG23 THR 452 -6.447 -8.931 -7.570 186 H GLU 453 HN GLU 453 -5.409 -8.320 -2.498 187 HA GLU 453 HA GLU 453 -4.016 -8.925 -0.815 188 HB2 GLU 453 HB2 GLU 453 -3.849 -11.543 -2.324 189 HB3 GLU 453 HB1 GLU 453 -3.280 -11.282 -0.681 190 HG2 GLU 453 HG2 GLU 453 -5.591 -10.740 -0.004 191 HG3 GLU 453 HG1 GLU 453 -6.126 -11.113 -1.643 192 H GLU 454 HN GLU 454 -2.995 -7.532 -3.088 193 HA GLU 454 HA GLU 454 -0.390 -8.790 -3.607 194 HB2 GLU 454 HB2 GLU 454 -0.179 -7.331 -5.504 195 HB3 GLU 454 HB1 GLU 454 -1.769 -8.072 -5.548 196 HG2 GLU 454 HG2 GLU 454 -2.755 -6.026 -4.661 197 HG3 GLU 454 HG1 GLU 454 -1.157 -5.280 -4.614 198 H SER 455 HN SER 455 1.521 -7.887 -3.059 199 HA SER 455 HA SER 455 1.420 -5.338 -1.574 200 HB2 SER 455 HB2 SER 455 3.557 -7.448 -1.251 201 HB3 SER 455 HB1 SER 455 3.186 -6.101 -0.181 202 HG SER 455 HG SER 455 1.041 -7.725 -0.576 203 H THR 456 HN THR 456 2.386 -3.700 -2.567 204 HA THR 456 HA THR 456 4.683 -4.237 -4.309 205 HB THR 456 HB THR 456 2.746 -4.177 -5.803 206 HG1 THR 456 HG1 THR 456 3.525 -2.511 -7.174 207 HG21 THR 456 HG21 THR 456 2.269 -1.406 -4.699 208 HG22 THR 456 HG22 THR 456 1.237 -2.814 -4.454 209 HG23 THR 456 HG23 THR 456 1.422 -2.128 -6.068 210 H TRP 457 HN TRP 457 6.107 -2.482 -4.559 211 HA TRP 457 HA TRP 457 5.905 -0.479 -2.471 212 HB2 TRP 457 HB2 TRP 457 8.119 -0.945 -4.480 213 HB3 TRP 457 HB1 TRP 457 8.188 0.158 -3.111 214 HD1 TRP 457 HD1 TRP 457 8.443 -3.550 -3.986 215 HE1 TRP 457 HE1 TRP 457 9.317 -4.833 -1.927 216 HE3 TRP 457 HE3 TRP 457 8.147 0.193 -0.530 217 HZ2 TRP 457 HZ2 TRP 457 9.788 -4.313 0.818 218 HZ3 TRP 457 HZ3 TRP 457 8.795 -0.289 1.788 219 HH2 TRP 457 HH2 TRP 457 9.607 -2.468 2.449 220 H GLU 458 HN GLU 458 4.790 -0.767 -5.551 221 HA GLU 458 HA GLU 458 5.141 1.974 -6.378 222 HB2 GLU 458 HB2 GLU 458 4.878 0.296 -8.099 223 HB3 GLU 458 HB1 GLU 458 3.365 -0.254 -7.390 224 HG2 GLU 458 HG2 GLU 458 2.257 1.766 -8.004 225 HG3 GLU 458 HG1 GLU 458 3.775 2.506 -8.507 226 H LYS 459 HN LYS 459 3.832 3.656 -5.915 227 HA LYS 459 HA LYS 459 2.062 3.284 -3.693 228 HB2 LYS 459 HB2 LYS 459 3.668 5.268 -4.206 229 HB3 LYS 459 HB1 LYS 459 2.337 5.871 -5.186 230 HG2 LYS 459 HG2 LYS 459 0.899 6.000 -3.292 231 HG3 LYS 459 HG1 LYS 459 2.069 5.152 -2.275 232 HD2 LYS 459 HD2 LYS 459 3.658 7.089 -2.827 233 HD3 LYS 459 HD1 LYS 459 2.216 7.936 -3.392 234 HE2 LYS 459 HE2 LYS 459 2.553 6.761 -0.634 235 HE3 LYS 459 HE1 LYS 459 2.829 8.453 -1.040 236 HZ1 LYS 459 HZ1 LYS 459 0.236 7.061 -1.444 237 HZ2 LYS 459 HZ2 LYS 459 0.544 8.722 -1.596 238 HZ3 LYS 459 HZ3 LYS 459 0.615 7.983 -0.070 239 HA PRO 460 HA PRO 460 -1.730 2.397 -5.928 240 HB2 PRO 460 HB2 PRO 460 -3.129 3.443 -3.675 241 HB3 PRO 460 HB1 PRO 460 -2.847 1.749 -4.077 242 HG2 PRO 460 HG2 PRO 460 -1.364 3.523 -2.221 243 HG3 PRO 460 HG1 PRO 460 -1.601 1.768 -2.158 244 HD2 PRO 460 HD2 PRO 460 0.745 2.823 -2.840 245 HD3 PRO 460 HD1 PRO 460 0.128 1.369 -3.655 246 H GLN 461 HN GLN 461 -3.375 3.557 -6.870 247 HA GLN 461 HA GLN 461 -2.811 6.369 -7.285 248 HB2 GLN 461 HB2 GLN 461 -3.470 4.677 -9.074 249 HB3 GLN 461 HB1 GLN 461 -5.090 4.755 -8.422 250 HG2 GLN 461 HG2 GLN 461 -5.207 7.125 -8.923 251 HG3 GLN 461 HG1 GLN 461 -3.559 7.086 -9.550 252 HE21 GLN 461 HE21 GLN 461 -3.888 4.475 -10.793 253 HE22 GLN 461 HE22 GLN 461 -4.885 4.724 -12.187 254 H GLU 462 HN GLU 462 -5.145 4.324 -5.754 255 HA GLU 462 HA GLU 462 -7.022 6.384 -5.082 256 HB2 GLU 462 HB2 GLU 462 -7.914 4.650 -3.477 257 HB3 GLU 462 HB1 GLU 462 -7.877 4.156 -5.159 258 HG2 GLU 462 HG2 GLU 462 -5.592 3.466 -3.387 259 HG3 GLU 462 HG1 GLU 462 -7.084 2.534 -3.290 260 H LEU 463 HN LEU 463 -3.993 5.496 -3.893 261 HA LEU 463 HA LEU 463 -4.368 7.243 -1.578 262 HB2 LEU 463 HB2 LEU 463 -4.551 4.976 -0.709 263 HB3 LEU 463 HB1 LEU 463 -3.055 4.526 -1.488 264 HG LEU 463 HG LEU 463 -1.873 6.184 -0.014 265 HD11 LEU 463 HD11 LEU 463 -4.539 6.255 1.392 266 HD12 LEU 463 HD12 LEU 463 -3.781 7.594 0.528 267 HD13 LEU 463 HD13 LEU 463 -3.033 6.951 1.992 268 HD21 LEU 463 HD21 LEU 463 -3.380 3.945 1.333 269 HD22 LEU 463 HD22 LEU 463 -1.937 4.738 1.967 270 HD23 LEU 463 HD23 LEU 463 -1.847 3.805 0.472 271 H LYS 464 HN LYS 464 -3.393 8.524 -3.391 272 HA LYS 464 HA LYS 464 -0.511 8.112 -3.636 273 HB2 LYS 464 HB2 LYS 464 -0.651 9.789 -5.467 274 HB3 LYS 464 HB1 LYS 464 -1.634 8.360 -5.750 275 HG2 LYS 464 HG2 LYS 464 -3.614 9.649 -4.957 276 HG3 LYS 464 HG1 LYS 464 -2.585 11.082 -4.886 277 HD2 LYS 464 HD2 LYS 464 -2.083 10.804 -7.289 278 HD3 LYS 464 HD1 LYS 464 -3.183 9.426 -7.339 279 HE2 LYS 464 HE2 LYS 464 -4.331 11.368 -8.167 280 HE3 LYS 464 HE1 LYS 464 -5.015 10.930 -6.601 281 HZ1 LYS 464 HZ1 LYS 464 -3.785 12.679 -5.560 282 HZ2 LYS 464 HZ2 LYS 464 -4.618 13.342 -6.883 283 HZ3 LYS 464 HZ3 LYS 464 -2.954 13.028 -6.994 Start of MODEL 12 1 H1 GLY 428 HT1 GLY 428 -23.553 -0.502 10.371 2 H2 GLY 428 HT2 GLY 428 -22.794 -1.925 9.846 3 H3 GLY 428 HT3 GLY 428 -24.453 -1.704 9.582 4 HA2 GLY 428 HA1 GLY 428 -23.190 -1.339 7.546 5 HA3 GLY 428 HA2 GLY 428 -24.025 0.114 8.077 6 H ALA 429 HN ALA 429 -21.341 -0.726 6.641 7 HA ALA 429 HA ALA 429 -19.796 1.430 7.898 8 HB1 ALA 429 HB1 ALA 429 -17.731 0.138 7.673 9 HB2 ALA 429 HB2 ALA 429 -18.656 -1.241 7.082 10 HB3 ALA 429 HB3 ALA 429 -18.879 -0.677 8.736 11 H THR 430 HN THR 430 -19.377 2.910 6.422 12 HA THR 430 HA THR 430 -19.158 2.079 3.605 13 HB THR 430 HB THR 430 -21.158 3.454 4.032 14 HG1 THR 430 HG1 THR 430 -19.298 5.083 2.635 15 HG21 THR 430 HG21 THR 430 -20.933 5.809 4.681 16 HG22 THR 430 HG22 THR 430 -19.201 5.576 4.923 17 HG23 THR 430 HG23 THR 430 -20.358 4.730 5.951 18 H ALA 431 HN ALA 431 -17.688 3.318 2.279 19 HA ALA 431 HA ALA 431 -15.695 4.247 1.758 20 HB1 ALA 431 HB1 ALA 431 -16.516 6.225 2.945 21 HB2 ALA 431 HB2 ALA 431 -14.775 6.025 3.136 22 HB3 ALA 431 HB3 ALA 431 -15.862 5.590 4.455 23 H VAL 432 HN VAL 432 -14.265 2.642 1.598 24 HA VAL 432 HA VAL 432 -12.819 1.845 4.014 25 HB VAL 432 HB VAL 432 -12.655 -0.472 3.112 26 HG11 VAL 432 HG11 VAL 432 -14.260 0.049 4.862 27 HG12 VAL 432 HG12 VAL 432 -14.916 -1.166 3.763 28 HG13 VAL 432 HG13 VAL 432 -15.457 0.509 3.651 29 HG21 VAL 432 HG21 VAL 432 -13.122 -0.020 0.766 30 HG22 VAL 432 HG22 VAL 432 -14.764 0.476 1.170 31 HG23 VAL 432 HG23 VAL 432 -14.267 -1.199 1.404 32 H SER 433 HN SER 433 -10.679 1.599 3.792 33 HA SER 433 HA SER 433 -9.384 2.644 1.458 34 HB2 SER 433 HB2 SER 433 -7.299 2.061 2.802 35 HB3 SER 433 HB1 SER 433 -8.417 3.183 3.580 36 HG SER 433 HG SER 433 -8.307 0.381 4.039 37 H GLU 434 HN GLU 434 -8.395 1.535 -0.153 38 HA GLU 434 HA GLU 434 -9.018 -1.282 -0.349 39 HB2 GLU 434 HB2 GLU 434 -9.334 0.118 -2.307 40 HB3 GLU 434 HB1 GLU 434 -7.664 0.629 -2.261 41 HG2 GLU 434 HG2 GLU 434 -6.959 -1.604 -2.795 42 HG3 GLU 434 HG1 GLU 434 -8.626 -2.162 -2.800 43 H TRP 435 HN TRP 435 -6.260 0.692 0.368 44 HA TRP 435 HA TRP 435 -4.604 -1.738 0.345 45 HB2 TRP 435 HB2 TRP 435 -3.640 1.083 -0.101 46 HB3 TRP 435 HB1 TRP 435 -2.646 -0.378 -0.033 47 HD1 TRP 435 HD1 TRP 435 -5.649 0.900 -2.159 48 HE1 TRP 435 HE1 TRP 435 -5.279 0.178 -4.595 49 HE3 TRP 435 HE3 TRP 435 -1.280 -1.666 -1.559 50 HZ2 TRP 435 HZ2 TRP 435 -3.360 -1.269 -6.068 51 HZ3 TRP 435 HZ3 TRP 435 -0.241 -2.694 -3.531 52 HH2 TRP 435 HH2 TRP 435 -1.259 -2.505 -5.743 53 H THR 436 HN THR 436 -3.150 -2.042 1.889 54 HA THR 436 HA THR 436 -3.335 -0.377 4.311 55 HB THR 436 HB THR 436 -2.867 -3.333 4.012 56 HG1 THR 436 HG1 THR 436 -5.147 -1.874 4.924 57 HG21 THR 436 HG21 THR 436 -3.280 -1.675 6.508 58 HG22 THR 436 HG22 THR 436 -1.749 -2.378 5.985 59 HG23 THR 436 HG23 THR 436 -3.085 -3.429 6.455 60 H GLU 437 HN GLU 437 -1.348 0.324 5.109 61 HA GLU 437 HA GLU 437 0.999 -0.589 3.587 62 HB2 GLU 437 HB2 GLU 437 1.940 1.593 3.749 63 HB3 GLU 437 HB1 GLU 437 0.287 1.775 3.195 64 HG2 GLU 437 HG2 GLU 437 1.314 2.298 5.969 65 HG3 GLU 437 HG1 GLU 437 0.859 3.502 4.775 66 H TYR 438 HN TYR 438 2.749 -1.323 4.623 67 HA TYR 438 HA TYR 438 2.953 -0.887 7.524 68 HB2 TYR 438 HB2 TYR 438 3.326 -3.503 6.070 69 HB3 TYR 438 HB1 TYR 438 3.869 -3.223 7.716 70 HD1 TYR 438 HD1 TYR 438 2.036 -2.343 9.359 71 HD2 TYR 438 HD2 TYR 438 1.212 -4.409 5.735 72 HE1 TYR 438 HE1 TYR 438 -0.182 -2.944 10.218 73 HE2 TYR 438 HE2 TYR 438 -1.013 -5.019 6.584 74 HH TYR 438 HH TYR 438 -2.167 -5.277 8.738 75 H LYS 439 HN LYS 439 4.942 -0.402 8.239 76 HA LYS 439 HA LYS 439 7.039 -0.109 6.238 77 HB2 LYS 439 HB2 LYS 439 6.445 1.738 7.917 78 HB3 LYS 439 HB1 LYS 439 7.224 0.734 9.130 79 HG2 LYS 439 HG2 LYS 439 8.897 2.215 8.518 80 HG3 LYS 439 HG1 LYS 439 9.270 0.787 7.559 81 HD2 LYS 439 HD2 LYS 439 9.528 2.638 6.072 82 HD3 LYS 439 HD1 LYS 439 8.031 1.870 5.612 83 HE2 LYS 439 HE2 LYS 439 6.781 3.540 6.996 84 HE3 LYS 439 HE1 LYS 439 8.304 4.342 7.363 85 HZ1 LYS 439 HZ1 LYS 439 8.617 4.759 4.999 86 HZ2 LYS 439 HZ2 LYS 439 7.157 5.438 5.540 87 HZ3 LYS 439 HZ3 LYS 439 7.140 3.999 4.647 88 H THR 440 HN THR 440 8.404 -1.617 5.925 89 HA THR 440 HA THR 440 8.620 -3.839 7.770 90 HB THR 440 HB THR 440 10.028 -4.773 5.798 91 HG1 THR 440 HG1 THR 440 10.230 -2.733 4.677 92 HG21 THR 440 HG21 THR 440 7.765 -5.523 6.373 93 HG22 THR 440 HG22 THR 440 8.006 -5.465 4.626 94 HG23 THR 440 HG23 THR 440 7.091 -4.190 5.430 95 H ALA 441 HN ALA 441 10.645 -4.673 8.444 96 HA ALA 441 HA ALA 441 12.282 -2.874 9.708 97 HB1 ALA 441 HB1 ALA 441 13.088 -5.630 8.820 98 HB2 ALA 441 HB2 ALA 441 12.102 -5.264 10.235 99 HB3 ALA 441 HB3 ALA 441 13.772 -4.705 10.158 100 H ASP 442 HN ASP 442 12.414 -3.570 6.348 101 HA ASP 442 HA ASP 442 15.146 -2.878 5.883 102 HB2 ASP 442 HB2 ASP 442 14.628 -2.914 3.612 103 HB3 ASP 442 HB1 ASP 442 13.403 -3.994 4.272 104 H GLY 443 HN GLY 443 12.556 -1.166 7.025 105 HA2 GLY 443 HA2 GLY 443 12.665 1.006 7.857 106 HA3 GLY 443 HA1 GLY 443 13.997 1.347 6.763 107 H LYS 444 HN LYS 444 11.303 -0.152 5.179 108 HA LYS 444 HA LYS 444 9.948 2.447 4.871 109 HB2 LYS 444 HB2 LYS 444 10.082 0.869 2.573 110 HB3 LYS 444 HB1 LYS 444 9.962 2.561 2.677 111 HG2 LYS 444 HG2 LYS 444 12.359 2.705 3.214 112 HG3 LYS 444 HG1 LYS 444 12.494 0.965 2.952 113 HD2 LYS 444 HD2 LYS 444 11.416 1.517 0.639 114 HD3 LYS 444 HD1 LYS 444 11.999 3.150 0.975 115 HE2 LYS 444 HE2 LYS 444 13.678 2.033 -0.285 116 HE3 LYS 444 HE1 LYS 444 14.258 2.168 1.375 117 HZ1 LYS 444 HZ1 LYS 444 13.155 -0.241 0.036 118 HZ2 LYS 444 HZ2 LYS 444 13.409 -0.158 1.708 119 HZ3 LYS 444 HZ3 LYS 444 14.725 -0.022 0.641 120 H THR 445 HN THR 445 8.107 2.120 3.239 121 HA THR 445 HA THR 445 6.433 0.014 4.394 122 HB THR 445 HB THR 445 4.664 1.607 3.200 123 HG1 THR 445 HG1 THR 445 6.509 2.998 2.528 124 HG21 THR 445 HG21 THR 445 4.620 1.020 5.561 125 HG22 THR 445 HG22 THR 445 4.342 2.749 5.350 126 HG23 THR 445 HG23 THR 445 5.918 2.166 5.887 127 H TYR 446 HN TYR 446 5.175 -1.283 3.227 128 HA TYR 446 HA TYR 446 5.269 -1.068 0.300 129 HB2 TYR 446 HB2 TYR 446 5.601 -3.357 0.004 130 HB3 TYR 446 HB1 TYR 446 6.621 -3.031 1.391 131 HD1 TYR 446 HD1 TYR 446 5.851 -3.715 3.675 132 HD2 TYR 446 HD2 TYR 446 3.740 -4.816 0.148 133 HE1 TYR 446 HE1 TYR 446 4.676 -5.480 4.929 134 HE2 TYR 446 HE2 TYR 446 2.562 -6.576 1.390 135 HH TYR 446 HH TYR 446 2.687 -7.863 3.322 136 H TYR 447 HN TYR 447 3.291 -1.801 -0.736 137 HA TYR 447 HA TYR 447 1.062 -1.266 1.101 138 HB2 TYR 447 HB2 TYR 447 1.283 -0.676 -1.853 139 HB3 TYR 447 HB1 TYR 447 -0.072 -0.246 -0.810 140 HD1 TYR 447 HD1 TYR 447 0.507 1.209 1.270 141 HD2 TYR 447 HD2 TYR 447 3.013 0.866 -2.150 142 HE1 TYR 447 HE1 TYR 447 1.636 3.303 1.901 143 HE2 TYR 447 HE2 TYR 447 4.143 2.962 -1.540 144 HH TYR 447 HH TYR 447 3.736 4.462 1.501 145 H TYR 448 HN TYR 448 -0.461 -2.653 1.368 146 HA TYR 448 HA TYR 448 -0.579 -5.058 -0.315 147 HB2 TYR 448 HB2 TYR 448 -0.125 -5.608 1.948 148 HB3 TYR 448 HB1 TYR 448 -1.326 -4.478 2.549 149 HD1 TYR 448 HD1 TYR 448 -0.943 -7.688 0.703 150 HD2 TYR 448 HD2 TYR 448 -3.493 -5.189 3.014 151 HE1 TYR 448 HE1 TYR 448 -2.576 -9.520 0.877 152 HE2 TYR 448 HE2 TYR 448 -5.132 -7.009 3.192 153 HH TYR 448 HH TYR 448 -5.755 -9.057 1.955 154 H ASN 449 HN ASN 449 -2.169 -5.117 -1.735 155 HA ASN 449 HA ASN 449 -4.528 -3.430 -1.404 156 HB2 ASN 449 HB2 ASN 449 -3.557 -3.356 -3.581 157 HB3 ASN 449 HB1 ASN 449 -3.488 -5.105 -3.675 158 HD21 ASN 449 HD21 ASN 449 -5.527 -2.308 -3.949 159 HD22 ASN 449 HD22 ASN 449 -6.852 -3.122 -4.690 160 H ASN 450 HN ASN 450 -6.418 -4.133 -0.743 161 HA ASN 450 HA ASN 450 -6.606 -6.835 0.244 162 HB2 ASN 450 HB2 ASN 450 -8.460 -4.457 0.431 163 HB3 ASN 450 HB1 ASN 450 -8.807 -6.016 1.168 164 HD21 ASN 450 HD21 ASN 450 -6.821 -3.165 1.274 165 HD22 ASN 450 HD22 ASN 450 -6.164 -3.445 2.849 166 H ARG 451 HN ARG 451 -7.174 -5.769 -2.791 167 HA ARG 451 HA ARG 451 -9.730 -7.086 -3.204 168 HB2 ARG 451 HB2 ARG 451 -7.746 -6.192 -5.303 169 HB3 ARG 451 HB1 ARG 451 -9.423 -6.634 -5.564 170 HG2 ARG 451 HG2 ARG 451 -10.169 -4.667 -4.405 171 HG3 ARG 451 HG1 ARG 451 -8.504 -4.247 -3.982 172 HD2 ARG 451 HD2 ARG 451 -9.741 -4.341 -6.727 173 HD3 ARG 451 HD1 ARG 451 -9.101 -2.932 -5.882 174 HE ARG 451 HE ARG 451 -7.295 -5.140 -6.560 175 HH11 ARG 451 HH11 ARG 451 -8.262 -1.803 -6.978 176 HH12 ARG 451 HH12 ARG 451 -6.851 -1.377 -7.902 177 HH21 ARG 451 HH21 ARG 451 -5.415 -4.584 -7.724 178 HH22 ARG 451 HH22 ARG 451 -5.228 -2.956 -8.308 179 H THR 452 HN THR 452 -6.417 -7.554 -4.369 180 HA THR 452 HA THR 452 -7.064 -10.369 -4.942 181 HB THR 452 HB THR 452 -5.386 -10.259 -6.708 182 HG1 THR 452 HG1 THR 452 -4.875 -7.641 -6.834 183 HG21 THR 452 HG21 THR 452 -6.454 -8.671 -8.218 184 HG22 THR 452 HG22 THR 452 -7.192 -7.836 -6.850 185 HG23 THR 452 HG23 THR 452 -7.680 -9.486 -7.245 186 H GLU 453 HN GLU 453 -5.703 -8.671 -2.624 187 HA GLU 453 HA GLU 453 -4.062 -8.904 -1.086 188 HB2 GLU 453 HB2 GLU 453 -4.120 -11.679 -2.243 189 HB3 GLU 453 HB1 GLU 453 -2.943 -11.237 -1.017 190 HG2 GLU 453 HG2 GLU 453 -4.813 -12.317 0.021 191 HG3 GLU 453 HG1 GLU 453 -4.765 -10.624 0.499 192 H GLU 454 HN GLU 454 -3.420 -7.651 -3.502 193 HA GLU 454 HA GLU 454 -0.840 -8.742 -4.333 194 HB2 GLU 454 HB2 GLU 454 -0.882 -6.990 -6.089 195 HB3 GLU 454 HB1 GLU 454 -2.286 -8.042 -6.143 196 HG2 GLU 454 HG2 GLU 454 -3.585 -6.308 -4.968 197 HG3 GLU 454 HG1 GLU 454 -2.178 -5.251 -5.032 198 H SER 455 HN SER 455 0.976 -8.111 -3.476 199 HA SER 455 HA SER 455 1.026 -5.613 -1.935 200 HB2 SER 455 HB2 SER 455 3.098 -6.821 -0.901 201 HB3 SER 455 HB1 SER 455 1.478 -7.338 -0.426 202 HG SER 455 HG SER 455 3.398 -8.802 -1.511 203 H THR 456 HN THR 456 2.151 -3.999 -2.774 204 HA THR 456 HA THR 456 4.542 -4.577 -4.346 205 HB THR 456 HB THR 456 2.740 -4.401 -6.002 206 HG1 THR 456 HG1 THR 456 4.295 -3.549 -7.124 207 HG21 THR 456 HG21 THR 456 1.622 -2.228 -6.369 208 HG22 THR 456 HG22 THR 456 2.325 -1.640 -4.861 209 HG23 THR 456 HG23 THR 456 1.178 -2.978 -4.839 210 H TRP 457 HN TRP 457 6.039 -2.894 -4.428 211 HA TRP 457 HA TRP 457 5.892 -1.014 -2.257 212 HB2 TRP 457 HB2 TRP 457 7.962 -1.440 -4.420 213 HB3 TRP 457 HB1 TRP 457 8.129 -0.268 -3.117 214 HD1 TRP 457 HD1 TRP 457 8.274 -4.022 -3.797 215 HE1 TRP 457 HE1 TRP 457 9.281 -5.203 -1.742 216 HE3 TRP 457 HE3 TRP 457 8.358 -0.071 -0.578 217 HZ2 TRP 457 HZ2 TRP 457 10.012 -4.525 0.914 218 HZ3 TRP 457 HZ3 TRP 457 9.205 -0.425 1.696 219 HH2 TRP 457 HH2 TRP 457 10.022 -2.579 2.431 220 H GLU 458 HN GLU 458 4.665 -1.054 -5.316 221 HA GLU 458 HA GLU 458 5.007 1.666 -6.093 222 HB2 GLU 458 HB2 GLU 458 4.403 -0.106 -7.698 223 HB3 GLU 458 HB1 GLU 458 2.871 -0.335 -6.867 224 HG2 GLU 458 HG2 GLU 458 2.438 0.949 -8.805 225 HG3 GLU 458 HG1 GLU 458 2.308 2.035 -7.424 226 H LYS 459 HN LYS 459 4.069 3.390 -5.275 227 HA LYS 459 HA LYS 459 2.306 3.351 -3.104 228 HB2 LYS 459 HB2 LYS 459 3.857 5.225 -3.840 229 HB3 LYS 459 HB1 LYS 459 2.647 5.638 -5.044 230 HG2 LYS 459 HG2 LYS 459 1.029 6.100 -3.309 231 HG3 LYS 459 HG1 LYS 459 2.185 5.602 -2.071 232 HD2 LYS 459 HD2 LYS 459 3.680 7.414 -2.735 233 HD3 LYS 459 HD1 LYS 459 2.535 7.906 -3.985 234 HE2 LYS 459 HE2 LYS 459 0.839 8.207 -2.154 235 HE3 LYS 459 HE1 LYS 459 2.155 7.976 -1.003 236 HZ1 LYS 459 HZ1 LYS 459 2.344 10.010 -3.130 237 HZ2 LYS 459 HZ2 LYS 459 3.169 9.939 -1.645 238 HZ3 LYS 459 HZ3 LYS 459 1.522 10.340 -1.687 239 HA PRO 460 HA PRO 460 -1.427 2.251 -5.149 240 HB2 PRO 460 HB2 PRO 460 -2.932 3.322 -2.896 241 HB3 PRO 460 HB1 PRO 460 -2.718 1.647 -3.399 242 HG2 PRO 460 HG2 PRO 460 -1.599 2.662 -1.150 243 HG3 PRO 460 HG1 PRO 460 -0.862 1.354 -2.091 244 HD2 PRO 460 HD2 PRO 460 -0.179 4.263 -2.028 245 HD3 PRO 460 HD1 PRO 460 0.893 2.850 -2.120 246 H GLN 461 HN GLN 461 -3.228 3.064 -6.166 247 HA GLN 461 HA GLN 461 -3.099 5.723 -7.083 248 HB2 GLN 461 HB2 GLN 461 -4.110 3.642 -8.180 249 HB3 GLN 461 HB1 GLN 461 -5.532 3.966 -7.216 250 HG2 GLN 461 HG2 GLN 461 -5.917 4.887 -9.357 251 HG3 GLN 461 HG1 GLN 461 -5.642 6.227 -8.245 252 HE21 GLN 461 HE21 GLN 461 -5.372 6.019 -11.164 253 HE22 GLN 461 HE22 GLN 461 -3.752 6.517 -11.516 254 H GLU 462 HN GLU 462 -4.931 4.165 -4.568 255 HA GLU 462 HA GLU 462 -6.538 6.560 -4.143 256 HB2 GLU 462 HB2 GLU 462 -7.747 5.112 -2.466 257 HB3 GLU 462 HB1 GLU 462 -7.840 4.595 -4.138 258 HG2 GLU 462 HG2 GLU 462 -7.492 2.614 -3.044 259 HG3 GLU 462 HG1 GLU 462 -5.853 3.059 -3.514 260 H LEU 463 HN LEU 463 -3.558 5.809 -3.279 261 HA LEU 463 HA LEU 463 -3.795 7.228 -0.717 262 HB2 LEU 463 HB2 LEU 463 -3.514 4.714 -0.441 263 HB3 LEU 463 HB1 LEU 463 -1.919 4.905 -1.140 264 HG LEU 463 HG LEU 463 -1.328 6.443 0.729 265 HD11 LEU 463 HD11 LEU 463 -3.994 5.568 1.831 266 HD12 LEU 463 HD12 LEU 463 -3.569 7.197 1.303 267 HD13 LEU 463 HD13 LEU 463 -2.768 6.485 2.706 268 HD21 LEU 463 HD21 LEU 463 -2.279 3.705 1.560 269 HD22 LEU 463 HD22 LEU 463 -1.095 4.694 2.415 270 HD23 LEU 463 HD23 LEU 463 -0.730 4.074 0.804 271 H LYS 464 HN LYS 464 -2.893 7.731 -3.615 272 HA LYS 464 HA LYS 464 -0.061 8.216 -3.369 273 HB2 LYS 464 HB2 LYS 464 -0.346 9.223 -5.680 274 HB3 LYS 464 HB1 LYS 464 -0.742 7.518 -5.519 275 HG2 LYS 464 HG2 LYS 464 -3.034 7.911 -5.695 276 HG3 LYS 464 HG1 LYS 464 -2.859 9.626 -5.325 277 HD2 LYS 464 HD2 LYS 464 -1.878 8.264 -7.829 278 HD3 LYS 464 HD1 LYS 464 -3.339 9.245 -7.699 279 HE2 LYS 464 HE2 LYS 464 -0.489 10.149 -7.328 280 HE3 LYS 464 HE1 LYS 464 -1.593 10.604 -8.627 281 HZ1 LYS 464 HZ1 LYS 464 -1.876 11.303 -5.750 282 HZ2 LYS 464 HZ2 LYS 464 -3.010 11.679 -6.955 283 HZ3 LYS 464 HZ3 LYS 464 -1.460 12.363 -7.010 Start of MODEL 13 1 H1 GLY 428 HT1 GLY 428 -3.266 12.882 3.300 2 H2 GLY 428 HT2 GLY 428 -3.287 11.931 4.706 3 H3 GLY 428 HT3 GLY 428 -2.427 13.390 4.680 4 HA2 GLY 428 HA1 GLY 428 -4.582 13.528 5.882 5 HA3 GLY 428 HA2 GLY 428 -4.393 14.680 4.565 6 H ALA 429 HN ALA 429 -6.824 13.549 5.798 7 HA ALA 429 HA ALA 429 -8.897 12.865 5.203 8 HB1 ALA 429 HB1 ALA 429 -8.642 14.610 3.504 9 HB2 ALA 429 HB2 ALA 429 -9.641 13.275 2.931 10 HB3 ALA 429 HB3 ALA 429 -7.968 13.421 2.390 11 H THR 430 HN THR 430 -8.776 10.752 5.872 12 HA THR 430 HA THR 430 -8.189 8.771 3.774 13 HB THR 430 HB THR 430 -7.480 7.306 5.827 14 HG1 THR 430 HG1 THR 430 -8.009 8.866 7.431 15 HG21 THR 430 HG21 THR 430 -5.155 8.028 5.540 16 HG22 THR 430 HG22 THR 430 -5.709 9.510 4.761 17 HG23 THR 430 HG23 THR 430 -5.992 7.950 3.990 18 H ALA 431 HN ALA 431 -9.688 7.223 3.475 19 HA ALA 431 HA ALA 431 -11.475 6.379 5.551 20 HB1 ALA 431 HB1 ALA 431 -12.633 7.854 3.181 21 HB2 ALA 431 HB2 ALA 431 -12.590 8.450 4.839 22 HB3 ALA 431 HB3 ALA 431 -13.549 7.025 4.441 23 H VAL 432 HN VAL 432 -12.306 4.405 5.127 24 HA VAL 432 HA VAL 432 -12.206 2.304 4.279 25 HB VAL 432 HB VAL 432 -13.478 2.021 2.155 26 HG11 VAL 432 HG11 VAL 432 -14.676 3.822 4.249 27 HG12 VAL 432 HG12 VAL 432 -14.606 2.061 4.282 28 HG13 VAL 432 HG13 VAL 432 -15.592 2.881 3.072 29 HG21 VAL 432 HG21 VAL 432 -14.579 3.980 1.165 30 HG22 VAL 432 HG22 VAL 432 -12.827 4.060 0.987 31 HG23 VAL 432 HG23 VAL 432 -13.633 5.038 2.213 32 H SER 433 HN SER 433 -9.802 2.601 4.238 33 HA SER 433 HA SER 433 -8.583 2.824 1.639 34 HB2 SER 433 HB2 SER 433 -6.483 2.236 2.969 35 HB3 SER 433 HB1 SER 433 -7.313 3.723 3.421 36 HG SER 433 HG SER 433 -7.477 1.203 4.726 37 H GLU 434 HN GLU 434 -8.641 1.227 0.228 38 HA GLU 434 HA GLU 434 -9.043 -1.513 0.908 39 HB2 GLU 434 HB2 GLU 434 -9.685 -0.422 -1.270 40 HB3 GLU 434 HB1 GLU 434 -7.982 -0.381 -1.688 41 HG2 GLU 434 HG2 GLU 434 -9.068 -2.250 -2.736 42 HG3 GLU 434 HG1 GLU 434 -7.887 -2.811 -1.556 43 H TRP 435 HN TRP 435 -6.314 0.532 0.623 44 HA TRP 435 HA TRP 435 -4.505 -1.768 0.689 45 HB2 TRP 435 HB2 TRP 435 -3.842 1.125 0.169 46 HB3 TRP 435 HB1 TRP 435 -2.696 -0.221 0.250 47 HD1 TRP 435 HD1 TRP 435 -5.753 0.882 -1.921 48 HE1 TRP 435 HE1 TRP 435 -5.355 0.052 -4.325 49 HE3 TRP 435 HE3 TRP 435 -1.381 -1.667 -1.189 50 HZ2 TRP 435 HZ2 TRP 435 -3.437 -1.467 -5.725 51 HZ3 TRP 435 HZ3 TRP 435 -0.332 -2.771 -3.114 52 HH2 TRP 435 HH2 TRP 435 -1.334 -2.675 -5.338 53 H THR 436 HN THR 436 -2.926 -1.902 2.177 54 HA THR 436 HA THR 436 -3.113 -0.151 4.531 55 HB THR 436 HB THR 436 -2.850 -3.130 4.350 56 HG1 THR 436 HG1 THR 436 -4.957 -1.517 4.502 57 HG21 THR 436 HG21 THR 436 -2.898 -3.130 6.827 58 HG22 THR 436 HG22 THR 436 -2.835 -1.367 6.809 59 HG23 THR 436 HG23 THR 436 -1.474 -2.305 6.195 60 H GLU 437 HN GLU 437 -1.102 0.443 5.380 61 HA GLU 437 HA GLU 437 1.209 -0.583 3.877 62 HB2 GLU 437 HB2 GLU 437 2.210 1.550 3.914 63 HB3 GLU 437 HB1 GLU 437 0.535 1.816 3.471 64 HG2 GLU 437 HG2 GLU 437 1.780 2.314 6.156 65 HG3 GLU 437 HG1 GLU 437 1.311 3.526 4.975 66 H TYR 438 HN TYR 438 2.807 -1.490 4.922 67 HA TYR 438 HA TYR 438 3.069 -1.074 7.833 68 HB2 TYR 438 HB2 TYR 438 3.595 -3.637 6.306 69 HB3 TYR 438 HB1 TYR 438 3.878 -3.395 8.022 70 HD1 TYR 438 HD1 TYR 438 1.747 -2.665 9.401 71 HD2 TYR 438 HD2 TYR 438 1.631 -4.633 5.634 72 HE1 TYR 438 HE1 TYR 438 -0.518 -3.478 9.900 73 HE2 TYR 438 HE2 TYR 438 -0.635 -5.448 6.121 74 HH TYR 438 HH TYR 438 -2.039 -5.913 8.111 75 H LYS 439 HN LYS 439 5.098 -0.520 8.511 76 HA LYS 439 HA LYS 439 7.197 -0.379 6.492 77 HB2 LYS 439 HB2 LYS 439 6.732 1.531 8.122 78 HB3 LYS 439 HB1 LYS 439 7.430 0.508 9.368 79 HG2 LYS 439 HG2 LYS 439 9.208 1.855 8.739 80 HG3 LYS 439 HG1 LYS 439 9.487 0.376 7.826 81 HD2 LYS 439 HD2 LYS 439 9.902 2.112 6.260 82 HD3 LYS 439 HD1 LYS 439 8.313 1.520 5.846 83 HE2 LYS 439 HE2 LYS 439 8.412 3.975 5.852 84 HE3 LYS 439 HE1 LYS 439 7.262 3.377 7.047 85 HZ1 LYS 439 HZ1 LYS 439 8.627 3.982 8.787 86 HZ2 LYS 439 HZ2 LYS 439 8.901 5.243 7.686 87 HZ3 LYS 439 HZ3 LYS 439 10.035 3.992 7.838 88 H THR 440 HN THR 440 8.392 -2.044 6.162 89 HA THR 440 HA THR 440 8.468 -4.205 8.095 90 HB THR 440 HB THR 440 9.581 -5.425 6.146 91 HG1 THR 440 HG1 THR 440 10.108 -3.439 4.961 92 HG21 THR 440 HG21 THR 440 7.466 -5.839 5.055 93 HG22 THR 440 HG22 THR 440 6.810 -4.332 5.693 94 HG23 THR 440 HG23 THR 440 7.199 -5.658 6.790 95 H ALA 441 HN ALA 441 10.369 -5.239 8.733 96 HA ALA 441 HA ALA 441 12.340 -3.710 9.809 97 HB1 ALA 441 HB1 ALA 441 12.657 -6.567 8.921 98 HB2 ALA 441 HB2 ALA 441 11.862 -6.035 10.401 99 HB3 ALA 441 HB3 ALA 441 13.587 -5.745 10.174 100 H ASP 442 HN ASP 442 12.183 -4.466 6.446 101 HA ASP 442 HA ASP 442 14.999 -4.084 5.961 102 HB2 ASP 442 HB2 ASP 442 14.404 -4.042 3.577 103 HB3 ASP 442 HB1 ASP 442 13.720 -5.438 4.394 104 H GLY 443 HN GLY 443 12.732 -2.092 7.048 105 HA2 GLY 443 HA2 GLY 443 13.238 0.088 7.683 106 HA3 GLY 443 HA1 GLY 443 14.411 0.181 6.389 107 H LYS 444 HN LYS 444 11.394 -0.933 5.115 108 HA LYS 444 HA LYS 444 10.252 1.766 5.163 109 HB2 LYS 444 HB2 LYS 444 10.095 0.520 2.648 110 HB3 LYS 444 HB1 LYS 444 10.077 2.171 2.994 111 HG2 LYS 444 HG2 LYS 444 12.546 2.054 3.388 112 HG3 LYS 444 HG1 LYS 444 12.499 0.428 2.701 113 HD2 LYS 444 HD2 LYS 444 11.075 2.108 0.936 114 HD3 LYS 444 HD1 LYS 444 12.564 2.955 1.356 115 HE2 LYS 444 HE2 LYS 444 12.942 1.618 -0.603 116 HE3 LYS 444 HE1 LYS 444 13.838 0.920 0.744 117 HZ1 LYS 444 HZ1 LYS 444 12.722 -0.778 -0.562 118 HZ2 LYS 444 HZ2 LYS 444 11.224 -0.044 -0.280 119 HZ3 LYS 444 HZ3 LYS 444 12.090 -0.723 1.009 120 H THR 445 HN THR 445 8.264 1.818 3.687 121 HA THR 445 HA THR 445 6.446 -0.230 4.703 122 HB THR 445 HB THR 445 4.745 1.507 3.749 123 HG1 THR 445 HG1 THR 445 5.605 3.334 3.109 124 HG21 THR 445 HG21 THR 445 6.347 2.083 6.241 125 HG22 THR 445 HG22 THR 445 4.953 1.008 6.122 126 HG23 THR 445 HG23 THR 445 4.754 2.741 5.868 127 H TYR 446 HN TYR 446 5.127 -1.392 3.482 128 HA TYR 446 HA TYR 446 5.233 -1.011 0.568 129 HB2 TYR 446 HB2 TYR 446 5.194 -3.350 0.187 130 HB3 TYR 446 HB1 TYR 446 6.411 -3.118 1.426 131 HD1 TYR 446 HD1 TYR 446 5.965 -3.841 3.754 132 HD2 TYR 446 HD2 TYR 446 3.171 -4.540 0.628 133 HE1 TYR 446 HE1 TYR 446 4.819 -5.508 5.155 134 HE2 TYR 446 HE2 TYR 446 2.022 -6.210 2.015 135 HH TYR 446 HH TYR 446 2.594 -7.710 3.934 136 H TYR 447 HN TYR 447 3.268 -1.261 -0.519 137 HA TYR 447 HA TYR 447 0.958 -0.934 1.235 138 HB2 TYR 447 HB2 TYR 447 1.261 -0.403 -1.728 139 HB3 TYR 447 HB1 TYR 447 -0.180 -0.060 -0.773 140 HD1 TYR 447 HD2 TYR 447 0.531 1.281 1.525 141 HD2 TYR 447 HD1 TYR 447 2.505 1.475 -2.234 142 HE1 TYR 447 HE2 TYR 447 1.441 3.483 2.135 143 HE2 TYR 447 HE1 TYR 447 3.422 3.678 -1.646 144 HH TYR 447 HH TYR 447 3.423 4.909 1.472 145 H TYR 448 HN TYR 448 -0.368 -2.524 1.593 146 HA TYR 448 HA TYR 448 -0.408 -4.837 -0.228 147 HB2 TYR 448 HB2 TYR 448 0.257 -5.374 2.039 148 HB3 TYR 448 HB1 TYR 448 -1.156 -4.559 2.693 149 HD1 TYR 448 HD2 TYR 448 -0.064 -7.502 0.714 150 HD2 TYR 448 HD1 TYR 448 -3.204 -5.703 2.955 151 HE1 TYR 448 HE2 TYR 448 -1.288 -9.633 0.703 152 HE2 TYR 448 HE1 TYR 448 -4.435 -7.832 2.952 153 HH TYR 448 HH TYR 448 -4.536 -9.898 1.579 154 H ASN 449 HN ASN 449 -2.135 -5.098 -1.453 155 HA ASN 449 HA ASN 449 -4.591 -3.607 -0.841 156 HB2 ASN 449 HB2 ASN 449 -3.676 -3.310 -3.097 157 HB3 ASN 449 HB1 ASN 449 -3.728 -5.051 -3.360 158 HD21 ASN 449 HD21 ASN 449 -5.600 -2.137 -3.062 159 HD22 ASN 449 HD22 ASN 449 -7.064 -2.784 -3.716 160 H ASN 450 HN ASN 450 -6.434 -4.607 -0.251 161 HA ASN 450 HA ASN 450 -6.207 -7.370 0.521 162 HB2 ASN 450 HB2 ASN 450 -8.375 -5.313 0.926 163 HB3 ASN 450 HB1 ASN 450 -8.517 -6.979 1.484 164 HD21 ASN 450 HD21 ASN 450 -7.061 -3.904 1.980 165 HD22 ASN 450 HD22 ASN 450 -6.314 -4.268 3.499 166 H ARG 451 HN ARG 451 -7.486 -5.773 -2.222 167 HA ARG 451 HA ARG 451 -9.545 -7.681 -2.829 168 HB2 ARG 451 HB2 ARG 451 -8.092 -5.785 -4.692 169 HB3 ARG 451 HB1 ARG 451 -9.563 -6.668 -5.069 170 HG2 ARG 451 HG2 ARG 451 -10.784 -5.412 -3.415 171 HG3 ARG 451 HG1 ARG 451 -9.308 -4.587 -2.912 172 HD2 ARG 451 HD2 ARG 451 -10.620 -4.419 -5.624 173 HD3 ARG 451 HD1 ARG 451 -10.630 -3.169 -4.383 174 HE ARG 451 HE ARG 451 -8.140 -4.085 -5.692 175 HH11 ARG 451 HH11 ARG 451 -10.246 -1.520 -4.544 176 HH12 ARG 451 HH12 ARG 451 -9.145 -0.253 -5.002 177 HH21 ARG 451 HH21 ARG 451 -6.694 -2.411 -6.272 178 HH22 ARG 451 HH22 ARG 451 -7.129 -0.743 -5.969 179 H THR 452 HN THR 452 -6.345 -7.026 -4.208 180 HA THR 452 HA THR 452 -6.380 -9.622 -5.546 181 HB THR 452 HB THR 452 -4.204 -8.645 -6.545 182 HG1 THR 452 HG1 THR 452 -3.974 -6.420 -6.312 183 HG21 THR 452 HG21 THR 452 -6.832 -7.248 -7.074 184 HG22 THR 452 HG22 THR 452 -6.336 -8.790 -7.775 185 HG23 THR 452 HG23 THR 452 -5.454 -7.314 -8.173 186 H GLU 453 HN GLU 453 -5.365 -8.374 -2.657 187 HA GLU 453 HA GLU 453 -3.911 -8.952 -1.023 188 HB2 GLU 453 HB2 GLU 453 -3.792 -11.544 -2.572 189 HB3 GLU 453 HB1 GLU 453 -3.127 -11.309 -0.963 190 HG2 GLU 453 HG2 GLU 453 -5.452 -10.680 -0.225 191 HG3 GLU 453 HG1 GLU 453 -6.005 -11.254 -1.797 192 H GLU 454 HN GLU 454 -2.902 -7.454 -3.158 193 HA GLU 454 HA GLU 454 -0.307 -8.685 -3.798 194 HB2 GLU 454 HB2 GLU 454 -0.110 -7.107 -5.604 195 HB3 GLU 454 HB1 GLU 454 -1.696 -7.860 -5.686 196 HG2 GLU 454 HG2 GLU 454 -2.696 -5.881 -4.681 197 HG3 GLU 454 HG1 GLU 454 -1.105 -5.127 -4.573 198 H SER 455 HN SER 455 1.635 -7.565 -3.501 199 HA SER 455 HA SER 455 1.489 -5.274 -1.657 200 HB2 SER 455 HB2 SER 455 3.668 -7.373 -1.665 201 HB3 SER 455 HB1 SER 455 3.393 -6.114 -0.467 202 HG SER 455 HG SER 455 1.160 -7.366 -0.498 203 H THR 456 HN THR 456 2.252 -3.496 -2.595 204 HA THR 456 HA THR 456 4.533 -3.762 -4.433 205 HB THR 456 HB THR 456 2.466 -3.442 -5.769 206 HG1 THR 456 HG1 THR 456 3.527 -2.136 -7.095 207 HG21 THR 456 HG21 THR 456 1.174 -2.125 -4.155 208 HG22 THR 456 HG22 THR 456 1.302 -1.291 -5.706 209 HG23 THR 456 HG23 THR 456 2.304 -0.783 -4.346 210 H TRP 457 HN TRP 457 5.946 -1.997 -4.509 211 HA TRP 457 HA TRP 457 5.886 -0.321 -2.126 212 HB2 TRP 457 HB2 TRP 457 8.035 -0.659 -4.231 213 HB3 TRP 457 HB1 TRP 457 8.193 0.282 -2.754 214 HD1 TRP 457 HD1 TRP 457 8.210 -3.317 -4.023 215 HE1 TRP 457 HE1 TRP 457 9.079 -4.855 -2.142 216 HE3 TRP 457 HE3 TRP 457 8.237 0.059 -0.212 217 HZ2 TRP 457 HZ2 TRP 457 9.669 -4.634 0.640 218 HZ3 TRP 457 HZ3 TRP 457 8.927 -0.686 2.027 219 HH2 TRP 457 HH2 TRP 457 9.642 -2.938 2.444 220 H GLU 458 HN GLU 458 4.461 -0.091 -4.966 221 HA GLU 458 HA GLU 458 5.193 2.693 -5.515 222 HB2 GLU 458 HB2 GLU 458 5.107 0.940 -7.358 223 HB3 GLU 458 HB1 GLU 458 3.360 0.932 -7.142 224 HG2 GLU 458 HG2 GLU 458 4.213 2.374 -9.003 225 HG3 GLU 458 HG1 GLU 458 3.175 3.190 -7.832 226 H LYS 459 HN LYS 459 3.629 4.340 -5.547 227 HA LYS 459 HA LYS 459 1.716 4.094 -3.456 228 HB2 LYS 459 HB2 LYS 459 3.034 6.185 -4.207 229 HB3 LYS 459 HB1 LYS 459 1.784 6.364 -5.432 230 HG2 LYS 459 HG2 LYS 459 0.083 6.441 -3.657 231 HG3 LYS 459 HG1 LYS 459 1.366 6.332 -2.451 232 HD2 LYS 459 HD2 LYS 459 2.341 8.423 -3.480 233 HD3 LYS 459 HD1 LYS 459 0.844 8.562 -4.406 234 HE2 LYS 459 HE2 LYS 459 -0.403 8.510 -2.241 235 HE3 LYS 459 HE1 LYS 459 1.149 8.584 -1.408 236 HZ1 LYS 459 HZ1 LYS 459 0.359 10.775 -1.511 237 HZ2 LYS 459 HZ2 LYS 459 -0.104 10.636 -3.135 238 HZ3 LYS 459 HZ3 LYS 459 1.545 10.687 -2.725 239 HA PRO 460 HA PRO 460 -1.674 2.401 -5.798 240 HB2 PRO 460 HB2 PRO 460 -3.249 3.523 -3.547 241 HB3 PRO 460 HB1 PRO 460 -3.176 1.865 -4.153 242 HG2 PRO 460 HG2 PRO 460 -2.001 2.520 -1.857 243 HG3 PRO 460 HG1 PRO 460 -1.228 1.384 -2.982 244 HD2 PRO 460 HD2 PRO 460 -0.641 4.283 -2.511 245 HD3 PRO 460 HD1 PRO 460 0.485 2.930 -2.754 246 H GLN 461 HN GLN 461 -3.345 3.146 -7.080 247 HA GLN 461 HA GLN 461 -3.240 5.925 -7.773 248 HB2 GLN 461 HB2 GLN 461 -3.695 3.809 -9.259 249 HB3 GLN 461 HB1 GLN 461 -5.362 4.065 -8.775 250 HG2 GLN 461 HG2 GLN 461 -5.014 5.127 -10.881 251 HG3 GLN 461 HG1 GLN 461 -5.224 6.373 -9.653 252 HE21 GLN 461 HE21 GLN 461 -2.288 4.519 -10.054 253 HE22 GLN 461 HE22 GLN 461 -1.315 5.830 -10.622 254 H GLU 462 HN GLU 462 -5.238 3.895 -5.859 255 HA GLU 462 HA GLU 462 -7.377 5.810 -5.555 256 HB2 GLU 462 HB2 GLU 462 -8.074 4.232 -3.670 257 HB3 GLU 462 HB1 GLU 462 -8.059 3.567 -5.292 258 HG2 GLU 462 HG2 GLU 462 -5.657 3.236 -3.573 259 HG3 GLU 462 HG1 GLU 462 -7.075 2.227 -3.292 260 H LEU 463 HN LEU 463 -4.284 5.842 -4.509 261 HA LEU 463 HA LEU 463 -4.965 7.354 -2.077 262 HB2 LEU 463 HB2 LEU 463 -4.138 5.013 -1.614 263 HB3 LEU 463 HB1 LEU 463 -2.611 5.481 -2.336 264 HG LEU 463 HG LEU 463 -2.359 7.222 -0.583 265 HD11 LEU 463 HD11 LEU 463 -3.789 7.141 1.390 266 HD12 LEU 463 HD12 LEU 463 -4.795 5.913 0.619 267 HD13 LEU 463 HD13 LEU 463 -4.720 7.541 -0.054 268 HD21 LEU 463 HD21 LEU 463 -1.806 5.669 1.221 269 HD22 LEU 463 HD22 LEU 463 -1.292 5.045 -0.347 270 HD23 LEU 463 HD23 LEU 463 -2.744 4.406 0.422 271 H LYS 464 HN LYS 464 -4.043 7.826 -4.992 272 HA LYS 464 HA LYS 464 -1.395 8.764 -4.983 273 HB2 LYS 464 HB2 LYS 464 -2.092 9.992 -7.076 274 HB3 LYS 464 HB1 LYS 464 -2.389 8.259 -7.082 275 HG2 LYS 464 HG2 LYS 464 -4.664 8.506 -7.023 276 HG3 LYS 464 HG1 LYS 464 -4.580 10.064 -6.198 277 HD2 LYS 464 HD2 LYS 464 -3.836 9.571 -9.078 278 HD3 LYS 464 HD1 LYS 464 -5.353 10.282 -8.524 279 HE2 LYS 464 HE2 LYS 464 -2.579 11.409 -8.170 280 HE3 LYS 464 HE1 LYS 464 -3.853 12.041 -9.208 281 HZ1 LYS 464 HZ1 LYS 464 -3.885 11.941 -6.232 282 HZ2 LYS 464 HZ2 LYS 464 -5.186 12.455 -7.197 283 HZ3 LYS 464 HZ3 LYS 464 -3.734 13.329 -7.202 Start of MODEL 14 1 H1 GLY 428 HT1 GLY 428 -17.897 5.034 12.518 2 H2 GLY 428 HT2 GLY 428 -18.817 3.832 13.284 3 H3 GLY 428 HT3 GLY 428 -19.454 4.670 11.956 4 HA2 GLY 428 HA1 GLY 428 -17.111 2.859 11.877 5 HA3 GLY 428 HA2 GLY 428 -18.734 2.447 11.338 6 H ALA 429 HN ALA 429 -15.791 3.323 10.264 7 HA ALA 429 HA ALA 429 -16.752 5.043 8.108 8 HB1 ALA 429 HB1 ALA 429 -13.943 4.164 8.767 9 HB2 ALA 429 HB2 ALA 429 -14.686 5.686 9.257 10 HB3 ALA 429 HB3 ALA 429 -14.404 5.352 7.548 11 H THR 430 HN THR 430 -17.894 3.697 6.779 12 HA THR 430 HA THR 430 -16.841 1.208 5.840 13 HB THR 430 HB THR 430 -19.073 2.869 4.647 14 HG1 THR 430 HG1 THR 430 -20.416 1.876 6.064 15 HG21 THR 430 HG21 THR 430 -18.251 1.097 3.167 16 HG22 THR 430 HG22 THR 430 -19.866 0.721 3.766 17 HG23 THR 430 HG23 THR 430 -18.460 -0.086 4.459 18 H ALA 431 HN ALA 431 -15.702 0.796 4.034 19 HA ALA 431 HA ALA 431 -14.325 1.098 2.268 20 HB1 ALA 431 HB1 ALA 431 -16.011 3.531 1.675 21 HB2 ALA 431 HB2 ALA 431 -16.345 1.889 1.122 22 HB3 ALA 431 HB3 ALA 431 -14.900 2.731 0.561 23 H VAL 432 HN VAL 432 -12.638 1.462 3.760 24 HA VAL 432 HA VAL 432 -11.426 4.079 3.418 25 HB VAL 432 HB VAL 432 -12.555 4.317 5.562 26 HG11 VAL 432 HG11 VAL 432 -11.027 1.867 6.426 27 HG12 VAL 432 HG12 VAL 432 -12.770 1.981 6.186 28 HG13 VAL 432 HG13 VAL 432 -11.996 2.898 7.479 29 HG21 VAL 432 HG21 VAL 432 -9.577 3.950 5.882 30 HG22 VAL 432 HG22 VAL 432 -10.622 4.859 6.976 31 HG23 VAL 432 HG23 VAL 432 -10.400 5.403 5.314 32 H SER 433 HN SER 433 -9.387 3.886 2.894 33 HA SER 433 HA SER 433 -7.410 3.006 2.315 34 HB2 SER 433 HB2 SER 433 -6.170 1.745 4.105 35 HB3 SER 433 HB1 SER 433 -6.807 3.309 4.605 36 HG SER 433 HG SER 433 -8.539 1.216 5.017 37 H GLU 434 HN GLU 434 -8.089 1.811 0.555 38 HA GLU 434 HA GLU 434 -8.797 -0.943 0.731 39 HB2 GLU 434 HB2 GLU 434 -9.361 0.345 -1.260 40 HB3 GLU 434 HB1 GLU 434 -7.670 0.681 -1.562 41 HG2 GLU 434 HG2 GLU 434 -8.612 -1.048 -3.030 42 HG3 GLU 434 HG1 GLU 434 -7.245 -1.605 -2.071 43 H TRP 435 HN TRP 435 -5.834 0.843 0.585 44 HA TRP 435 HA TRP 435 -4.345 -1.676 0.536 45 HB2 TRP 435 HB2 TRP 435 -3.345 1.133 0.061 46 HB3 TRP 435 HB1 TRP 435 -2.351 -0.330 0.112 47 HD1 TRP 435 HD1 TRP 435 -5.361 1.035 -2.015 48 HE1 TRP 435 HE1 TRP 435 -5.008 0.244 -4.436 49 HE3 TRP 435 HE3 TRP 435 -1.112 -1.750 -1.375 50 HZ2 TRP 435 HZ2 TRP 435 -3.189 -1.343 -5.882 51 HZ3 TRP 435 HZ3 TRP 435 -0.133 -2.866 -3.329 52 HH2 TRP 435 HH2 TRP 435 -1.149 -2.668 -5.542 53 H THR 436 HN THR 436 -3.010 -2.183 2.081 54 HA THR 436 HA THR 436 -2.963 -0.540 4.514 55 HB THR 436 HB THR 436 -2.329 -3.440 4.056 56 HG1 THR 436 HG1 THR 436 -4.686 -2.175 5.072 57 HG21 THR 436 HG21 THR 436 -1.193 -2.513 6.023 58 HG22 THR 436 HG22 THR 436 -2.461 -3.637 6.515 59 HG23 THR 436 HG23 THR 436 -2.730 -1.898 6.631 60 H GLU 437 HN GLU 437 -0.942 0.150 5.281 61 HA GLU 437 HA GLU 437 1.345 -0.683 3.635 62 HB2 GLU 437 HB2 GLU 437 2.375 1.411 4.000 63 HB3 GLU 437 HB1 GLU 437 0.708 1.757 3.590 64 HG2 GLU 437 HG2 GLU 437 1.662 1.638 6.413 65 HG3 GLU 437 HG1 GLU 437 1.772 3.102 5.450 66 H TYR 438 HN TYR 438 2.867 -1.830 4.526 67 HA TYR 438 HA TYR 438 3.014 -1.997 7.469 68 HB2 TYR 438 HB2 TYR 438 3.967 -4.067 5.480 69 HB3 TYR 438 HB1 TYR 438 3.875 -4.243 7.225 70 HD1 TYR 438 HD1 TYR 438 1.680 -4.552 8.320 71 HD2 TYR 438 HD2 TYR 438 2.061 -4.404 4.087 72 HE1 TYR 438 HE1 TYR 438 -0.536 -5.594 8.090 73 HE2 TYR 438 HE2 TYR 438 -0.154 -5.437 3.844 74 HH TYR 438 HH TYR 438 -2.332 -5.777 6.440 75 H LYS 439 HN LYS 439 4.911 -1.324 8.384 76 HA LYS 439 HA LYS 439 7.064 -0.573 6.561 77 HB2 LYS 439 HB2 LYS 439 6.227 0.955 8.434 78 HB3 LYS 439 HB1 LYS 439 7.032 -0.141 9.548 79 HG2 LYS 439 HG2 LYS 439 8.596 1.536 9.249 80 HG3 LYS 439 HG1 LYS 439 9.136 0.294 8.125 81 HD2 LYS 439 HD2 LYS 439 9.318 2.308 6.889 82 HD3 LYS 439 HD1 LYS 439 7.862 1.562 6.286 83 HE2 LYS 439 HE2 LYS 439 7.487 3.938 6.676 84 HE3 LYS 439 HE1 LYS 439 6.499 3.000 7.795 85 HZ1 LYS 439 HZ1 LYS 439 7.896 3.529 9.577 86 HZ2 LYS 439 HZ2 LYS 439 7.718 4.990 8.734 87 HZ3 LYS 439 HZ3 LYS 439 9.141 4.088 8.571 88 H THR 440 HN THR 440 8.571 -1.908 6.098 89 HA THR 440 HA THR 440 8.925 -4.363 7.605 90 HB THR 440 HB THR 440 10.468 -4.869 5.585 91 HG1 THR 440 HG1 THR 440 10.699 -3.192 4.311 92 HG21 THR 440 HG21 THR 440 8.548 -5.507 4.204 93 HG22 THR 440 HG22 THR 440 7.502 -4.471 5.174 94 HG23 THR 440 HG23 THR 440 8.264 -5.884 5.903 95 H ALA 441 HN ALA 441 10.956 -5.130 8.245 96 HA ALA 441 HA ALA 441 12.494 -3.693 9.872 97 HB1 ALA 441 HB1 ALA 441 13.573 -5.881 8.114 98 HB2 ALA 441 HB2 ALA 441 12.632 -6.118 9.587 99 HB3 ALA 441 HB3 ALA 441 14.224 -5.361 9.668 100 H ASP 442 HN ASP 442 12.985 -3.697 6.355 101 HA ASP 442 HA ASP 442 15.516 -2.415 6.381 102 HB2 ASP 442 HB2 ASP 442 15.162 -1.950 4.035 103 HB3 ASP 442 HB1 ASP 442 14.602 -3.580 4.389 104 H GLY 443 HN GLY 443 12.543 -1.274 7.323 105 HA2 GLY 443 HA2 GLY 443 12.298 0.747 8.465 106 HA3 GLY 443 HA1 GLY 443 13.687 1.383 7.608 107 H LYS 444 HN LYS 444 11.119 -0.121 5.716 108 HA LYS 444 HA LYS 444 9.624 2.392 5.631 109 HB2 LYS 444 HB2 LYS 444 9.975 1.159 3.150 110 HB3 LYS 444 HB1 LYS 444 9.689 2.810 3.469 111 HG2 LYS 444 HG2 LYS 444 12.019 3.161 4.047 112 HG3 LYS 444 HG1 LYS 444 12.369 1.458 3.747 113 HD2 LYS 444 HD2 LYS 444 11.296 3.358 1.664 114 HD3 LYS 444 HD1 LYS 444 13.008 2.987 1.878 115 HE2 LYS 444 HE2 LYS 444 10.849 0.969 1.269 116 HE3 LYS 444 HE1 LYS 444 11.956 1.657 0.084 117 HZ1 LYS 444 HZ1 LYS 444 12.690 -0.523 0.858 118 HZ2 LYS 444 HZ2 LYS 444 12.757 0.043 2.454 119 HZ3 LYS 444 HZ3 LYS 444 13.805 0.682 1.280 120 H THR 445 HN THR 445 7.769 2.172 4.013 121 HA THR 445 HA THR 445 6.355 -0.276 4.769 122 HB THR 445 HB THR 445 4.322 1.038 4.000 123 HG1 THR 445 HG1 THR 445 6.180 2.755 3.228 124 HG21 THR 445 HG21 THR 445 4.170 2.312 6.088 125 HG22 THR 445 HG22 THR 445 5.900 2.085 6.344 126 HG23 THR 445 HG23 THR 445 4.817 0.694 6.355 127 H TYR 446 HN TYR 446 5.395 -1.619 3.402 128 HA TYR 446 HA TYR 446 5.426 -0.937 0.538 129 HB2 TYR 446 HB2 TYR 446 5.774 -3.181 -0.035 130 HB3 TYR 446 HB1 TYR 446 6.835 -2.947 1.338 131 HD1 TYR 446 HD1 TYR 446 6.223 -3.911 3.553 132 HD2 TYR 446 HD2 TYR 446 3.967 -4.733 0.041 133 HE1 TYR 446 HE1 TYR 446 5.211 -5.862 4.664 134 HE2 TYR 446 HE2 TYR 446 2.948 -6.677 1.141 135 HH TYR 446 HH TYR 446 3.208 -7.264 4.492 136 H TYR 447 HN TYR 447 3.497 -1.515 -0.645 137 HA TYR 447 HA TYR 447 1.205 -1.194 1.156 138 HB2 TYR 447 HB2 TYR 447 1.496 -0.443 -1.759 139 HB3 TYR 447 HB1 TYR 447 0.096 -0.100 -0.740 140 HD1 TYR 447 HD2 TYR 447 1.028 0.935 1.681 141 HD2 TYR 447 HD1 TYR 447 2.747 1.469 -2.176 142 HE1 TYR 447 HE2 TYR 447 2.097 3.003 2.461 143 HE2 TYR 447 HE1 TYR 447 3.825 3.547 -1.414 144 HH TYR 447 HH TYR 447 3.981 4.415 1.896 145 H TYR 448 HN TYR 448 -0.458 -2.520 1.181 146 HA TYR 448 HA TYR 448 -0.488 -4.775 -0.716 147 HB2 TYR 448 HB2 TYR 448 0.251 -5.563 1.420 148 HB3 TYR 448 HB1 TYR 448 -1.032 -4.701 2.253 149 HD1 TYR 448 HD1 TYR 448 -0.292 -7.582 0.058 150 HD2 TYR 448 HD2 TYR 448 -3.178 -5.679 2.536 151 HE1 TYR 448 HE1 TYR 448 -1.672 -9.614 0.002 152 HE2 TYR 448 HE2 TYR 448 -4.568 -7.704 2.485 153 HH TYR 448 HH TYR 448 -4.887 -9.689 1.016 154 H ASN 449 HN ASN 449 -2.256 -4.854 -1.924 155 HA ASN 449 HA ASN 449 -4.638 -3.337 -1.180 156 HB2 ASN 449 HB2 ASN 449 -3.828 -3.150 -3.482 157 HB3 ASN 449 HB1 ASN 449 -3.967 -4.890 -3.690 158 HD21 ASN 449 HD21 ASN 449 -5.707 -1.886 -3.416 159 HD22 ASN 449 HD22 ASN 449 -7.218 -2.495 -3.984 160 H ASN 450 HN ASN 450 -6.503 -4.228 -0.486 161 HA ASN 450 HA ASN 450 -6.276 -6.937 0.463 162 HB2 ASN 450 HB2 ASN 450 -8.308 -4.761 0.901 163 HB3 ASN 450 HB1 ASN 450 -8.536 -6.392 1.527 164 HD21 ASN 450 HD21 ASN 450 -6.698 -3.451 1.772 165 HD22 ASN 450 HD22 ASN 450 -5.930 -3.821 3.278 166 H ARG 451 HN ARG 451 -8.106 -5.278 -2.030 167 HA ARG 451 HA ARG 451 -10.035 -7.266 -2.515 168 HB2 ARG 451 HB2 ARG 451 -8.725 -5.372 -4.472 169 HB3 ARG 451 HB1 ARG 451 -10.139 -6.350 -4.829 170 HG2 ARG 451 HG2 ARG 451 -11.416 -5.166 -3.150 171 HG3 ARG 451 HG1 ARG 451 -9.991 -4.225 -2.703 172 HD2 ARG 451 HD2 ARG 451 -11.471 -4.186 -5.329 173 HD3 ARG 451 HD1 ARG 451 -11.342 -2.880 -4.152 174 HE ARG 451 HE ARG 451 -9.054 -3.900 -5.712 175 HH11 ARG 451 HH11 ARG 451 -10.844 -1.264 -4.259 176 HH12 ARG 451 HH12 ARG 451 -9.711 -0.053 -4.772 177 HH21 ARG 451 HH21 ARG 451 -7.568 -2.300 -6.384 178 HH22 ARG 451 HH22 ARG 451 -7.839 -0.632 -5.954 179 H THR 452 HN THR 452 -6.999 -6.705 -4.285 180 HA THR 452 HA THR 452 -7.267 -9.329 -5.525 181 HB THR 452 HB THR 452 -5.223 -8.463 -6.841 182 HG1 THR 452 HG1 THR 452 -4.899 -6.230 -6.721 183 HG21 THR 452 HG21 THR 452 -6.648 -7.125 -8.318 184 HG22 THR 452 HG22 THR 452 -7.860 -7.001 -7.043 185 HG23 THR 452 HG23 THR 452 -7.498 -8.570 -7.763 186 H GLU 453 HN GLU 453 -5.822 -8.094 -2.807 187 HA GLU 453 HA GLU 453 -4.273 -8.867 -1.337 188 HB2 GLU 453 HB2 GLU 453 -4.419 -11.349 -3.055 189 HB3 GLU 453 HB1 GLU 453 -3.575 -11.254 -1.516 190 HG2 GLU 453 HG2 GLU 453 -5.737 -10.647 -0.445 191 HG3 GLU 453 HG1 GLU 453 -6.529 -10.947 -1.993 192 H GLU 454 HN GLU 454 -3.422 -7.322 -3.581 193 HA GLU 454 HA GLU 454 -0.916 -8.611 -4.414 194 HB2 GLU 454 HB2 GLU 454 -0.770 -6.916 -6.157 195 HB3 GLU 454 HB1 GLU 454 -2.317 -7.745 -6.222 196 HG2 GLU 454 HG2 GLU 454 -3.395 -5.853 -5.153 197 HG3 GLU 454 HG1 GLU 454 -1.842 -5.028 -5.018 198 H SER 455 HN SER 455 1.037 -7.897 -3.835 199 HA SER 455 HA SER 455 1.112 -5.551 -2.057 200 HB2 SER 455 HB2 SER 455 3.234 -6.775 -1.172 201 HB3 SER 455 HB1 SER 455 1.645 -7.363 -0.683 202 HG SER 455 HG SER 455 2.810 -8.421 -3.008 203 H THR 456 HN THR 456 2.195 -3.861 -2.809 204 HA THR 456 HA THR 456 4.538 -4.293 -4.502 205 HB THR 456 HB THR 456 2.625 -3.963 -6.055 206 HG1 THR 456 HG1 THR 456 4.456 -3.245 -6.973 207 HG21 THR 456 HG21 THR 456 1.213 -2.533 -4.690 208 HG22 THR 456 HG22 THR 456 1.585 -1.736 -6.217 209 HG23 THR 456 HG23 THR 456 2.422 -1.253 -4.742 210 H TRP 457 HN TRP 457 6.032 -2.587 -4.479 211 HA TRP 457 HA TRP 457 5.883 -0.901 -2.128 212 HB2 TRP 457 HB2 TRP 457 8.010 -1.362 -4.216 213 HB3 TRP 457 HB1 TRP 457 8.179 -0.145 -2.955 214 HD1 TRP 457 HD1 TRP 457 8.220 -3.931 -3.489 215 HE1 TRP 457 HE1 TRP 457 9.151 -5.045 -1.360 216 HE3 TRP 457 HE3 TRP 457 8.363 0.158 -0.440 217 HZ2 TRP 457 HZ2 TRP 457 9.850 -4.279 1.277 218 HZ3 TRP 457 HZ3 TRP 457 9.161 -0.115 1.865 219 HH2 TRP 457 HH2 TRP 457 9.896 -2.270 2.708 220 H GLU 458 HN GLU 458 4.640 -0.633 -5.124 221 HA GLU 458 HA GLU 458 5.347 2.127 -5.648 222 HB2 GLU 458 HB2 GLU 458 5.058 0.375 -7.444 223 HB3 GLU 458 HB1 GLU 458 3.333 0.406 -7.101 224 HG2 GLU 458 HG2 GLU 458 4.093 1.792 -9.053 225 HG3 GLU 458 HG1 GLU 458 3.127 2.637 -7.843 226 H LYS 459 HN LYS 459 3.919 3.856 -5.629 227 HA LYS 459 HA LYS 459 2.123 3.903 -3.446 228 HB2 LYS 459 HB2 LYS 459 3.503 5.809 -4.586 229 HB3 LYS 459 HB1 LYS 459 2.096 5.963 -5.625 230 HG2 LYS 459 HG2 LYS 459 0.693 6.364 -3.654 231 HG3 LYS 459 HG1 LYS 459 2.125 6.241 -2.629 232 HD2 LYS 459 HD2 LYS 459 3.072 8.092 -4.196 233 HD3 LYS 459 HD1 LYS 459 1.377 8.367 -4.597 234 HE2 LYS 459 HE2 LYS 459 2.565 8.433 -1.824 235 HE3 LYS 459 HE1 LYS 459 2.154 9.844 -2.796 236 HZ1 LYS 459 HZ1 LYS 459 0.218 7.798 -1.846 237 HZ2 LYS 459 HZ2 LYS 459 -0.162 9.200 -2.726 238 HZ3 LYS 459 HZ3 LYS 459 0.452 9.326 -1.152 239 HA PRO 460 HA PRO 460 -1.435 2.062 -5.354 240 HB2 PRO 460 HB2 PRO 460 -2.887 3.493 -3.205 241 HB3 PRO 460 HB1 PRO 460 -2.845 1.769 -3.581 242 HG2 PRO 460 HG2 PRO 460 -1.555 2.718 -1.459 243 HG3 PRO 460 HG1 PRO 460 -0.838 1.439 -2.460 244 HD2 PRO 460 HD2 PRO 460 -0.240 4.374 -2.419 245 HD3 PRO 460 HD1 PRO 460 0.878 2.997 -2.520 246 H GLN 461 HN GLN 461 -3.231 2.607 -6.574 247 HA GLN 461 HA GLN 461 -3.211 5.228 -7.712 248 HB2 GLN 461 HB2 GLN 461 -3.745 3.111 -8.946 249 HB3 GLN 461 HB1 GLN 461 -5.274 3.056 -8.091 250 HG2 GLN 461 HG2 GLN 461 -5.910 5.195 -9.074 251 HG3 GLN 461 HG1 GLN 461 -4.374 5.258 -9.933 252 HE21 GLN 461 HE21 GLN 461 -4.418 2.359 -10.436 253 HE22 GLN 461 HE22 GLN 461 -5.560 2.135 -11.721 254 H GLU 462 HN GLU 462 -5.380 3.441 -5.606 255 HA GLU 462 HA GLU 462 -7.247 5.624 -5.364 256 HB2 GLU 462 HB2 GLU 462 -8.187 4.167 -3.473 257 HB3 GLU 462 HB1 GLU 462 -8.252 3.517 -5.097 258 HG2 GLU 462 HG2 GLU 462 -5.970 2.831 -3.322 259 HG3 GLU 462 HG1 GLU 462 -7.521 2.008 -3.150 260 H LEU 463 HN LEU 463 -4.225 5.386 -4.279 261 HA LEU 463 HA LEU 463 -4.813 6.946 -1.858 262 HB2 LEU 463 HB2 LEU 463 -4.208 4.537 -1.368 263 HB3 LEU 463 HB1 LEU 463 -2.626 4.875 -2.038 264 HG LEU 463 HG LEU 463 -2.262 6.578 -0.286 265 HD11 LEU 463 HD11 LEU 463 -3.786 6.700 1.614 266 HD12 LEU 463 HD12 LEU 463 -4.892 5.588 0.807 267 HD13 LEU 463 HD13 LEU 463 -4.587 7.183 0.120 268 HD21 LEU 463 HD21 LEU 463 -1.997 5.009 1.577 269 HD22 LEU 463 HD22 LEU 463 -1.459 4.310 0.049 270 HD23 LEU 463 HD23 LEU 463 -3.017 3.842 0.733 271 H LYS 464 HN LYS 464 -4.015 7.622 -4.639 272 HA LYS 464 HA LYS 464 -1.274 8.334 -4.609 273 HB2 LYS 464 HB2 LYS 464 -1.617 9.449 -6.669 274 HB3 LYS 464 HB1 LYS 464 -2.651 8.035 -6.698 275 HG2 LYS 464 HG2 LYS 464 -3.606 10.818 -6.065 276 HG3 LYS 464 HG1 LYS 464 -3.656 10.090 -7.668 277 HD2 LYS 464 HD2 LYS 464 -5.118 8.318 -6.805 278 HD3 LYS 464 HD1 LYS 464 -5.069 9.065 -5.206 279 HE2 LYS 464 HE2 LYS 464 -6.098 11.085 -6.113 280 HE3 LYS 464 HE1 LYS 464 -6.128 10.360 -7.718 281 HZ1 LYS 464 HZ1 LYS 464 -7.573 9.303 -5.348 282 HZ2 LYS 464 HZ2 LYS 464 -7.648 8.682 -6.923 283 HZ3 LYS 464 HZ3 LYS 464 -8.275 10.220 -6.586 Start of MODEL 15 1 H1 GLY 428 HT1 GLY 428 -24.045 0.284 8.281 2 H2 GLY 428 HT2 GLY 428 -24.730 0.923 9.692 3 H3 GLY 428 HT3 GLY 428 -24.144 -0.662 9.683 4 HA2 GLY 428 HA1 GLY 428 -22.538 1.810 9.417 5 HA3 GLY 428 HA2 GLY 428 -22.605 0.758 10.826 6 H ALA 429 HN ALA 429 -21.188 1.357 7.796 7 HA ALA 429 HA ALA 429 -19.144 -0.593 8.270 8 HB1 ALA 429 HB1 ALA 429 -20.879 -0.974 5.821 9 HB2 ALA 429 HB2 ALA 429 -20.834 -2.048 7.222 10 HB3 ALA 429 HB3 ALA 429 -19.407 -1.868 6.202 11 H THR 430 HN THR 430 -18.117 1.496 8.322 12 HA THR 430 HA THR 430 -17.774 2.755 5.686 13 HB THR 430 HB THR 430 -17.016 3.801 8.421 14 HG1 THR 430 HG1 THR 430 -19.299 4.058 6.786 15 HG21 THR 430 HG21 THR 430 -16.981 5.129 5.707 16 HG22 THR 430 HG22 THR 430 -15.574 4.701 6.677 17 HG23 THR 430 HG23 THR 430 -16.689 5.946 7.241 18 H ALA 431 HN ALA 431 -16.125 2.000 4.588 19 HA ALA 431 HA ALA 431 -13.479 2.027 5.654 20 HB1 ALA 431 HB1 ALA 431 -14.206 -0.125 6.566 21 HB2 ALA 431 HB2 ALA 431 -12.955 -0.336 5.343 22 HB3 ALA 431 HB3 ALA 431 -14.642 -0.670 4.946 23 H VAL 432 HN VAL 432 -13.443 3.514 3.858 24 HA VAL 432 HA VAL 432 -13.358 2.179 1.253 25 HB VAL 432 HB VAL 432 -14.870 4.052 1.249 26 HG11 VAL 432 HG11 VAL 432 -14.159 6.347 1.696 27 HG12 VAL 432 HG12 VAL 432 -12.557 5.765 2.146 28 HG13 VAL 432 HG13 VAL 432 -13.959 5.320 3.117 29 HG21 VAL 432 HG21 VAL 432 -13.638 3.667 -0.793 30 HG22 VAL 432 HG22 VAL 432 -12.324 4.700 -0.226 31 HG23 VAL 432 HG23 VAL 432 -13.907 5.397 -0.569 32 H SER 433 HN SER 433 -11.397 1.215 1.726 33 HA SER 433 HA SER 433 -9.110 2.674 0.865 34 HB2 SER 433 HB2 SER 433 -7.745 2.198 2.941 35 HB3 SER 433 HB1 SER 433 -8.977 3.444 3.147 36 HG SER 433 HG SER 433 -9.529 0.745 3.766 37 H GLU 434 HN GLU 434 -8.359 1.226 -0.520 38 HA GLU 434 HA GLU 434 -9.000 -1.583 -0.076 39 HB2 GLU 434 HB2 GLU 434 -9.480 -0.356 -2.220 40 HB3 GLU 434 HB1 GLU 434 -7.750 -0.281 -2.487 41 HG2 GLU 434 HG2 GLU 434 -7.578 -2.569 -2.800 42 HG3 GLU 434 HG1 GLU 434 -9.147 -2.887 -2.064 43 H TRP 435 HN TRP 435 -6.371 0.549 0.190 44 HA TRP 435 HA TRP 435 -4.541 -1.742 0.307 45 HB2 TRP 435 HB2 TRP 435 -3.755 1.086 -0.350 46 HB3 TRP 435 HB1 TRP 435 -2.703 -0.333 -0.252 47 HD1 TRP 435 HD1 TRP 435 -5.786 0.814 -2.330 48 HE1 TRP 435 HE1 TRP 435 -5.503 -0.042 -4.741 49 HE3 TRP 435 HE3 TRP 435 -1.409 -1.768 -1.751 50 HZ2 TRP 435 HZ2 TRP 435 -3.651 -1.602 -6.203 51 HZ3 TRP 435 HZ3 TRP 435 -0.454 -2.918 -3.704 52 HH2 TRP 435 HH2 TRP 435 -1.550 -2.835 -5.883 53 H THR 436 HN THR 436 -3.004 -1.779 1.800 54 HA THR 436 HA THR 436 -3.207 0.094 4.058 55 HB THR 436 HB THR 436 -2.983 -2.898 4.061 56 HG1 THR 436 HG1 THR 436 -5.101 -1.426 3.842 57 HG21 THR 436 HG21 THR 436 -3.157 -2.762 6.513 58 HG22 THR 436 HG22 THR 436 -3.163 -1.001 6.414 59 HG23 THR 436 HG23 THR 436 -1.726 -1.905 5.933 60 H GLU 437 HN GLU 437 -1.158 0.423 5.150 61 HA GLU 437 HA GLU 437 1.133 -0.739 3.714 62 HB2 GLU 437 HB2 GLU 437 2.001 1.262 3.211 63 HB3 GLU 437 HB1 GLU 437 0.388 1.886 3.514 64 HG2 GLU 437 HG2 GLU 437 1.109 2.278 5.882 65 HG3 GLU 437 HG1 GLU 437 2.740 1.877 5.372 66 H TYR 438 HN TYR 438 2.859 -1.330 4.868 67 HA TYR 438 HA TYR 438 2.902 -0.897 7.771 68 HB2 TYR 438 HB2 TYR 438 3.235 -3.580 6.397 69 HB3 TYR 438 HB1 TYR 438 3.564 -3.280 8.097 70 HD1 TYR 438 HD1 TYR 438 1.557 -2.379 9.505 71 HD2 TYR 438 HD2 TYR 438 1.137 -4.333 5.748 72 HE1 TYR 438 HE1 TYR 438 -0.774 -2.930 10.057 73 HE2 TYR 438 HE2 TYR 438 -1.196 -4.884 6.289 74 HH TYR 438 HH TYR 438 -2.613 -5.161 8.246 75 H LYS 439 HN LYS 439 5.005 -0.632 8.583 76 HA LYS 439 HA LYS 439 7.042 -0.377 6.515 77 HB2 LYS 439 HB2 LYS 439 6.642 1.451 8.207 78 HB3 LYS 439 HB1 LYS 439 7.296 0.375 9.430 79 HG2 LYS 439 HG2 LYS 439 9.133 1.649 8.905 80 HG3 LYS 439 HG1 LYS 439 9.361 0.255 7.856 81 HD2 LYS 439 HD2 LYS 439 9.828 2.020 6.413 82 HD3 LYS 439 HD1 LYS 439 8.165 1.689 6.008 83 HE2 LYS 439 HE2 LYS 439 9.152 3.864 7.910 84 HE3 LYS 439 HE1 LYS 439 8.593 4.107 6.260 85 HZ1 LYS 439 HZ1 LYS 439 6.387 3.475 6.914 86 HZ2 LYS 439 HZ2 LYS 439 6.935 4.694 7.951 87 HZ3 LYS 439 HZ3 LYS 439 6.902 3.086 8.482 88 H THR 440 HN THR 440 8.308 -1.923 6.079 89 HA THR 440 HA THR 440 8.636 -4.199 7.845 90 HB THR 440 HB THR 440 9.985 -4.971 5.707 91 HG1 THR 440 HG1 THR 440 9.932 -3.017 4.570 92 HG21 THR 440 HG21 THR 440 7.919 -5.842 4.748 93 HG22 THR 440 HG22 THR 440 6.983 -4.688 5.693 94 HG23 THR 440 HG23 THR 440 7.886 -5.967 6.506 95 H ALA 441 HN ALA 441 10.676 -5.029 8.415 96 HA ALA 441 HA ALA 441 12.505 -3.220 9.431 97 HB1 ALA 441 HB1 ALA 441 13.942 -5.130 9.860 98 HB2 ALA 441 HB2 ALA 441 12.995 -6.107 8.736 99 HB3 ALA 441 HB3 ALA 441 12.255 -5.506 10.220 100 H ASP 442 HN ASP 442 12.175 -3.849 6.158 101 HA ASP 442 HA ASP 442 14.928 -3.471 5.394 102 HB2 ASP 442 HB2 ASP 442 14.185 -3.454 3.183 103 HB3 ASP 442 HB1 ASP 442 12.964 -4.455 3.964 104 H GLY 443 HN GLY 443 12.626 -1.600 6.811 105 HA2 GLY 443 HA2 GLY 443 12.983 0.558 7.608 106 HA3 GLY 443 HA1 GLY 443 14.183 0.809 6.352 107 H LYS 444 HN LYS 444 11.159 -0.502 5.217 108 HA LYS 444 HA LYS 444 9.921 2.152 5.036 109 HB2 LYS 444 HB2 LYS 444 9.789 0.611 2.719 110 HB3 LYS 444 HB1 LYS 444 9.708 2.304 2.839 111 HG2 LYS 444 HG2 LYS 444 12.191 2.328 3.214 112 HG3 LYS 444 HG1 LYS 444 12.201 0.621 2.763 113 HD2 LYS 444 HD2 LYS 444 11.144 2.841 1.013 114 HD3 LYS 444 HD1 LYS 444 12.774 2.174 0.898 115 HE2 LYS 444 HE2 LYS 444 10.246 0.560 0.599 116 HE3 LYS 444 HE1 LYS 444 11.153 1.239 -0.749 117 HZ1 LYS 444 HZ1 LYS 444 12.102 -0.806 1.191 118 HZ2 LYS 444 HZ2 LYS 444 13.100 -0.043 0.044 119 HZ3 LYS 444 HZ3 LYS 444 11.810 -1.015 -0.472 120 H THR 445 HN THR 445 7.848 1.986 3.698 121 HA THR 445 HA THR 445 6.311 -0.281 4.714 122 HB THR 445 HB THR 445 4.332 1.171 4.040 123 HG1 THR 445 HG1 THR 445 4.750 3.360 3.737 124 HG21 THR 445 HG21 THR 445 6.196 2.166 6.189 125 HG22 THR 445 HG22 THR 445 4.983 0.896 6.359 126 HG23 THR 445 HG23 THR 445 4.483 2.562 6.058 127 H TYR 446 HN TYR 446 5.143 -1.588 3.485 128 HA TYR 446 HA TYR 446 5.285 -1.210 0.571 129 HB2 TYR 446 HB2 TYR 446 5.106 -3.593 0.306 130 HB3 TYR 446 HB1 TYR 446 6.382 -3.289 1.467 131 HD1 TYR 446 HD1 TYR 446 5.990 -3.724 3.880 132 HD2 TYR 446 HD2 TYR 446 3.147 -4.827 0.914 133 HE1 TYR 446 HE1 TYR 446 4.918 -5.252 5.484 134 HE2 TYR 446 HE2 TYR 446 2.068 -6.356 2.508 135 HH TYR 446 HH TYR 446 2.752 -6.325 5.846 136 H TYR 447 HN TYR 447 3.370 -1.525 -0.634 137 HA TYR 447 HA TYR 447 0.988 -1.001 0.988 138 HB2 TYR 447 HB2 TYR 447 1.501 -0.459 -1.943 139 HB3 TYR 447 HB1 TYR 447 0.039 -0.022 -1.061 140 HD1 TYR 447 HD1 TYR 447 0.524 1.355 1.172 141 HD2 TYR 447 HD2 TYR 447 3.107 1.190 -2.203 142 HE1 TYR 447 HE1 TYR 447 1.575 3.458 1.886 143 HE2 TYR 447 HE2 TYR 447 4.163 3.301 -1.506 144 HH TYR 447 HH TYR 447 3.692 4.658 1.579 145 H TYR 448 HN TYR 448 -0.556 -2.395 1.151 146 HA TYR 448 HA TYR 448 -0.509 -4.807 -0.537 147 HB2 TYR 448 HB2 TYR 448 0.142 -5.261 1.743 148 HB3 TYR 448 HB1 TYR 448 -1.254 -4.397 2.363 149 HD1 TYR 448 HD1 TYR 448 -0.144 -7.481 0.662 150 HD2 TYR 448 HD2 TYR 448 -3.366 -5.463 2.569 151 HE1 TYR 448 HE1 TYR 448 -1.385 -9.597 0.795 152 HE2 TYR 448 HE2 TYR 448 -4.616 -7.573 2.700 153 HH TYR 448 HH TYR 448 -4.680 -9.751 1.570 154 H ASN 449 HN ASN 449 -2.242 -5.155 -1.761 155 HA ASN 449 HA ASN 449 -4.691 -3.608 -1.314 156 HB2 ASN 449 HB2 ASN 449 -3.728 -3.733 -3.608 157 HB3 ASN 449 HB1 ASN 449 -3.972 -5.470 -3.590 158 HD21 ASN 449 HD21 ASN 449 -5.479 -2.377 -3.906 159 HD22 ASN 449 HD22 ASN 449 -7.025 -2.960 -4.415 160 H ASN 450 HN ASN 450 -6.522 -4.479 -0.537 161 HA ASN 450 HA ASN 450 -6.271 -7.037 0.734 162 HB2 ASN 450 HB2 ASN 450 -8.545 -5.056 0.674 163 HB3 ASN 450 HB1 ASN 450 -8.537 -6.528 1.642 164 HD21 ASN 450 HD21 ASN 450 -8.614 -3.670 2.370 165 HD22 ASN 450 HD22 ASN 450 -7.285 -3.454 3.458 166 H ARG 451 HN ARG 451 -7.795 -5.947 -2.199 167 HA ARG 451 HA ARG 451 -9.654 -8.142 -2.321 168 HB2 ARG 451 HB2 ARG 451 -8.821 -6.034 -4.275 169 HB3 ARG 451 HB1 ARG 451 -9.735 -7.429 -4.827 170 HG2 ARG 451 HG2 ARG 451 -11.467 -6.848 -3.109 171 HG3 ARG 451 HG1 ARG 451 -10.583 -5.343 -2.837 172 HD2 ARG 451 HD2 ARG 451 -11.711 -6.265 -5.480 173 HD3 ARG 451 HD1 ARG 451 -12.438 -5.053 -4.427 174 HE ARG 451 HE ARG 451 -10.537 -3.627 -4.865 175 HH11 ARG 451 HH11 ARG 451 -10.952 -6.372 -7.016 176 HH12 ARG 451 HH12 ARG 451 -9.900 -5.727 -8.234 177 HH21 ARG 451 HH21 ARG 451 -9.140 -2.800 -6.453 178 HH22 ARG 451 HH22 ARG 451 -8.886 -3.693 -7.928 179 H THR 452 HN THR 452 -6.559 -7.400 -3.868 180 HA THR 452 HA THR 452 -6.555 -10.017 -5.157 181 HB THR 452 HB THR 452 -4.352 -9.059 -6.114 182 HG1 THR 452 HG1 THR 452 -4.292 -6.745 -6.007 183 HG21 THR 452 HG21 THR 452 -5.567 -7.766 -7.802 184 HG22 THR 452 HG22 THR 452 -6.982 -7.707 -6.749 185 HG23 THR 452 HG23 THR 452 -6.435 -9.250 -7.407 186 H GLU 453 HN GLU 453 -5.397 -8.574 -2.338 187 HA GLU 453 HA GLU 453 -3.950 -9.175 -0.701 188 HB2 GLU 453 HB2 GLU 453 -3.956 -11.841 -2.133 189 HB3 GLU 453 HB1 GLU 453 -3.293 -11.559 -0.529 190 HG2 GLU 453 HG2 GLU 453 -5.523 -10.921 0.267 191 HG3 GLU 453 HG1 GLU 453 -6.179 -11.247 -1.335 192 H GLU 454 HN GLU 454 -2.989 -7.813 -2.928 193 HA GLU 454 HA GLU 454 -0.408 -9.085 -3.571 194 HB2 GLU 454 HB2 GLU 454 -0.302 -7.651 -5.498 195 HB3 GLU 454 HB1 GLU 454 -1.897 -8.390 -5.459 196 HG2 GLU 454 HG2 GLU 454 -2.839 -6.338 -4.559 197 HG3 GLU 454 HG1 GLU 454 -1.239 -5.596 -4.551 198 H SER 455 HN SER 455 1.547 -7.903 -3.395 199 HA SER 455 HA SER 455 1.363 -5.463 -1.747 200 HB2 SER 455 HB2 SER 455 3.550 -7.545 -1.538 201 HB3 SER 455 HB1 SER 455 3.297 -6.151 -0.490 202 HG SER 455 HG SER 455 1.048 -7.484 -0.458 203 H THR 456 HN THR 456 2.258 -3.738 -2.677 204 HA THR 456 HA THR 456 4.556 -4.140 -4.454 205 HB THR 456 HB THR 456 2.488 -3.899 -5.859 206 HG1 THR 456 HG1 THR 456 4.001 -3.172 -7.140 207 HG21 THR 456 HG21 THR 456 1.403 -1.733 -6.025 208 HG22 THR 456 HG22 THR 456 2.458 -1.082 -4.772 209 HG23 THR 456 HG23 THR 456 1.285 -2.334 -4.372 210 H TRP 457 HN TRP 457 5.981 -2.358 -4.584 211 HA TRP 457 HA TRP 457 5.839 -0.625 -2.250 212 HB2 TRP 457 HB2 TRP 457 8.053 -1.057 -4.259 213 HB3 TRP 457 HB1 TRP 457 8.165 0.002 -2.856 214 HD1 TRP 457 HD1 TRP 457 8.230 -3.692 -3.831 215 HE1 TRP 457 HE1 TRP 457 8.999 -5.073 -1.790 216 HE3 TRP 457 HE3 TRP 457 8.074 -0.025 -0.288 217 HZ2 TRP 457 HZ2 TRP 457 9.455 -4.643 0.973 218 HZ3 TRP 457 HZ3 TRP 457 8.655 -0.605 2.029 219 HH2 TRP 457 HH2 TRP 457 9.341 -2.830 2.644 220 H GLU 458 HN GLU 458 4.601 -0.443 -5.221 221 HA GLU 458 HA GLU 458 5.190 2.376 -5.674 222 HB2 GLU 458 HB2 GLU 458 5.006 0.866 -7.620 223 HB3 GLU 458 HB1 GLU 458 3.347 0.490 -7.170 224 HG2 GLU 458 HG2 GLU 458 3.459 2.115 -8.993 225 HG3 GLU 458 HG1 GLU 458 2.697 2.796 -7.557 226 H LYS 459 HN LYS 459 3.722 4.013 -5.347 227 HA LYS 459 HA LYS 459 1.848 3.483 -3.234 228 HB2 LYS 459 HB2 LYS 459 3.196 5.498 -3.155 229 HB3 LYS 459 HB1 LYS 459 2.525 6.046 -4.684 230 HG2 LYS 459 HG2 LYS 459 0.368 6.372 -3.699 231 HG3 LYS 459 HG1 LYS 459 0.889 5.607 -2.196 232 HD2 LYS 459 HD2 LYS 459 2.184 8.090 -3.297 233 HD3 LYS 459 HD1 LYS 459 0.802 8.143 -2.203 234 HE2 LYS 459 HE2 LYS 459 3.408 6.753 -1.593 235 HE3 LYS 459 HE1 LYS 459 3.011 8.393 -1.079 236 HZ1 LYS 459 HZ1 LYS 459 2.579 6.705 0.647 237 HZ2 LYS 459 HZ2 LYS 459 1.435 5.982 -0.362 238 HZ3 LYS 459 HZ3 LYS 459 1.182 7.557 0.205 239 HA PRO 460 HA PRO 460 -1.600 2.449 -5.867 240 HB2 PRO 460 HB2 PRO 460 -3.381 3.005 -3.740 241 HB3 PRO 460 HB1 PRO 460 -2.767 1.428 -4.236 242 HG2 PRO 460 HG2 PRO 460 -1.900 3.179 -2.024 243 HG3 PRO 460 HG1 PRO 460 -1.785 1.420 -2.185 244 HD2 PRO 460 HD2 PRO 460 0.360 3.049 -2.404 245 HD3 PRO 460 HD1 PRO 460 0.217 1.526 -3.304 246 H GLN 461 HN GLN 461 -3.153 3.520 -6.942 247 HA GLN 461 HA GLN 461 -2.827 6.287 -7.294 248 HB2 GLN 461 HB2 GLN 461 -3.747 4.470 -8.873 249 HB3 GLN 461 HB1 GLN 461 -5.291 4.794 -8.122 250 HG2 GLN 461 HG2 GLN 461 -5.270 7.066 -8.867 251 HG3 GLN 461 HG1 GLN 461 -3.614 6.907 -9.452 252 HE21 GLN 461 HE21 GLN 461 -4.022 4.268 -10.577 253 HE22 GLN 461 HE22 GLN 461 -4.962 4.505 -12.013 254 H GLU 462 HN GLU 462 -5.025 4.445 -5.350 255 HA GLU 462 HA GLU 462 -6.751 6.691 -4.794 256 HB2 GLU 462 HB2 GLU 462 -7.876 5.155 -3.218 257 HB3 GLU 462 HB1 GLU 462 -7.725 4.480 -4.832 258 HG2 GLU 462 HG2 GLU 462 -5.910 3.074 -4.129 259 HG3 GLU 462 HG1 GLU 462 -5.885 3.835 -2.539 260 H LEU 463 HN LEU 463 -3.702 5.983 -3.758 261 HA LEU 463 HA LEU 463 -4.196 7.147 -1.088 262 HB2 LEU 463 HB2 LEU 463 -3.478 4.729 -1.136 263 HB3 LEU 463 HB1 LEU 463 -1.958 5.273 -1.819 264 HG LEU 463 HG LEU 463 -1.533 6.606 0.222 265 HD11 LEU 463 HD11 LEU 463 -2.907 6.242 2.206 266 HD12 LEU 463 HD12 LEU 463 -4.025 5.263 1.255 267 HD13 LEU 463 HD13 LEU 463 -3.842 6.982 0.903 268 HD21 LEU 463 HD21 LEU 463 -2.081 3.675 0.677 269 HD22 LEU 463 HD22 LEU 463 -1.055 4.696 1.684 270 HD23 LEU 463 HD23 LEU 463 -0.603 4.372 0.010 271 H LYS 464 HN LYS 464 -3.015 7.897 -4.026 272 HA LYS 464 HA LYS 464 -0.675 9.324 -2.994 273 HB2 LYS 464 HB2 LYS 464 -0.179 9.739 -5.442 274 HB3 LYS 464 HB1 LYS 464 -0.065 8.073 -4.898 275 HG2 LYS 464 HG2 LYS 464 -1.109 8.047 -7.014 276 HG3 LYS 464 HG1 LYS 464 -2.363 7.709 -5.828 277 HD2 LYS 464 HD2 LYS 464 -3.327 9.210 -7.367 278 HD3 LYS 464 HD1 LYS 464 -2.942 10.180 -5.947 279 HE2 LYS 464 HE2 LYS 464 -1.227 9.986 -8.421 280 HE3 LYS 464 HE1 LYS 464 -2.375 11.280 -8.096 281 HZ1 LYS 464 HZ1 LYS 464 0.126 10.658 -6.634 282 HZ2 LYS 464 HZ2 LYS 464 -1.057 11.700 -6.009 283 HZ3 LYS 464 HZ3 LYS 464 -0.276 12.075 -7.469 Start of MODEL 16 1 H1 GLY 428 HT1 GLY 428 -15.022 6.237 15.013 2 H2 GLY 428 HT2 GLY 428 -16.229 6.688 16.115 3 H3 GLY 428 HT3 GLY 428 -15.047 7.809 15.644 4 HA2 GLY 428 HA1 GLY 428 -17.083 6.607 13.850 5 HA3 GLY 428 HA2 GLY 428 -17.183 8.216 14.549 6 H ALA 429 HN ALA 429 -14.308 6.594 13.268 7 HA ALA 429 HA ALA 429 -14.199 8.665 11.172 8 HB1 ALA 429 HB1 ALA 429 -11.770 8.573 11.310 9 HB2 ALA 429 HB2 ALA 429 -11.872 7.345 12.571 10 HB3 ALA 429 HB3 ALA 429 -12.462 8.978 12.880 11 H THR 430 HN THR 430 -14.703 7.747 9.293 12 HA THR 430 HA THR 430 -14.199 4.936 8.846 13 HB THR 430 HB THR 430 -15.252 5.580 6.538 14 HG1 THR 430 HG1 THR 430 -16.601 7.592 7.899 15 HG21 THR 430 HG21 THR 430 -16.361 4.198 8.212 16 HG22 THR 430 HG22 THR 430 -17.503 5.342 7.505 17 HG23 THR 430 HG23 THR 430 -16.836 5.639 9.109 18 H ALA 431 HN ALA 431 -12.118 4.491 8.444 19 HA ALA 431 HA ALA 431 -10.573 6.175 6.644 20 HB1 ALA 431 HB1 ALA 431 -9.490 5.311 8.656 21 HB2 ALA 431 HB2 ALA 431 -8.703 4.700 7.200 22 HB3 ALA 431 HB3 ALA 431 -9.792 3.660 8.117 23 H VAL 432 HN VAL 432 -11.472 5.897 4.650 24 HA VAL 432 HA VAL 432 -11.965 3.237 3.623 25 HB VAL 432 HB VAL 432 -12.224 5.889 2.194 26 HG11 VAL 432 HG11 VAL 432 -13.658 4.654 0.639 27 HG12 VAL 432 HG12 VAL 432 -13.320 3.161 1.518 28 HG13 VAL 432 HG13 VAL 432 -12.020 4.002 0.673 29 HG21 VAL 432 HG21 VAL 432 -14.624 5.697 2.653 30 HG22 VAL 432 HG22 VAL 432 -13.684 5.813 4.139 31 HG23 VAL 432 HG23 VAL 432 -14.320 4.253 3.619 32 H SER 433 HN SER 433 -10.107 2.185 3.253 33 HA SER 433 HA SER 433 -8.518 3.088 1.011 34 HB2 SER 433 HB2 SER 433 -6.365 2.654 2.270 35 HB3 SER 433 HB1 SER 433 -7.237 4.100 2.776 36 HG SER 433 HG SER 433 -7.190 1.576 4.071 37 H GLU 434 HN GLU 434 -8.248 1.407 -0.288 38 HA GLU 434 HA GLU 434 -9.011 -1.230 0.611 39 HB2 GLU 434 HB2 GLU 434 -9.561 -0.327 -1.655 40 HB3 GLU 434 HB1 GLU 434 -7.850 -0.394 -2.052 41 HG2 GLU 434 HG2 GLU 434 -8.971 -2.305 -2.952 42 HG3 GLU 434 HG1 GLU 434 -7.876 -2.816 -1.673 43 H TRP 435 HN TRP 435 -6.126 0.538 0.286 44 HA TRP 435 HA TRP 435 -4.526 -1.902 0.460 45 HB2 TRP 435 HB2 TRP 435 -3.566 0.926 0.062 46 HB3 TRP 435 HB1 TRP 435 -2.588 -0.548 0.053 47 HD1 TRP 435 HD1 TRP 435 -5.507 1.023 -1.988 48 HE1 TRP 435 HE1 TRP 435 -5.240 0.300 -4.448 49 HE3 TRP 435 HE3 TRP 435 -1.469 -2.064 -1.481 50 HZ2 TRP 435 HZ2 TRP 435 -3.536 -1.363 -5.961 51 HZ3 TRP 435 HZ3 TRP 435 -0.588 -3.187 -3.479 52 HH2 TRP 435 HH2 TRP 435 -1.597 -2.842 -5.675 53 H THR 436 HN THR 436 -3.037 -2.201 1.990 54 HA THR 436 HA THR 436 -3.222 -0.559 4.427 55 HB THR 436 HB THR 436 -2.896 -3.521 4.086 56 HG1 THR 436 HG1 THR 436 -5.070 -1.909 4.972 57 HG21 THR 436 HG21 THR 436 -1.670 -2.731 6.053 58 HG22 THR 436 HG22 THR 436 -3.092 -3.655 6.542 59 HG23 THR 436 HG23 THR 436 -3.115 -1.893 6.625 60 H GLU 437 HN GLU 437 -1.229 0.034 5.303 61 HA GLU 437 HA GLU 437 1.123 -1.024 3.885 62 HB2 GLU 437 HB2 GLU 437 2.205 1.102 4.090 63 HB3 GLU 437 HB1 GLU 437 0.616 1.362 3.398 64 HG2 GLU 437 HG2 GLU 437 1.206 1.745 6.302 65 HG3 GLU 437 HG1 GLU 437 1.379 3.024 5.113 66 H TYR 438 HN TYR 438 2.721 -1.864 4.997 67 HA TYR 438 HA TYR 438 2.897 -1.381 7.899 68 HB2 TYR 438 HB2 TYR 438 3.418 -3.983 6.431 69 HB3 TYR 438 HB1 TYR 438 3.765 -3.707 8.131 70 HD1 TYR 438 HD1 TYR 438 1.715 -2.976 9.596 71 HD2 TYR 438 HD2 TYR 438 1.390 -4.922 5.825 72 HE1 TYR 438 HE1 TYR 438 -0.549 -3.731 10.186 73 HE2 TYR 438 HE2 TYR 438 -0.878 -5.676 6.402 74 HH TYR 438 HH TYR 438 -2.641 -4.413 8.972 75 H LYS 439 HN LYS 439 4.986 -0.956 8.650 76 HA LYS 439 HA LYS 439 6.925 -0.428 6.542 77 HB2 LYS 439 HB2 LYS 439 6.351 1.263 8.372 78 HB3 LYS 439 HB1 LYS 439 7.259 0.235 9.468 79 HG2 LYS 439 HG2 LYS 439 8.816 1.835 8.854 80 HG3 LYS 439 HG1 LYS 439 9.190 0.495 7.773 81 HD2 LYS 439 HD2 LYS 439 9.255 2.448 6.400 82 HD3 LYS 439 HD1 LYS 439 7.766 1.639 5.995 83 HE2 LYS 439 HE2 LYS 439 6.543 3.143 7.568 84 HE3 LYS 439 HE1 LYS 439 8.049 3.998 7.889 85 HZ1 LYS 439 HZ1 LYS 439 8.178 4.560 5.533 86 HZ2 LYS 439 HZ2 LYS 439 6.755 5.156 6.232 87 HZ3 LYS 439 HZ3 LYS 439 6.699 3.778 5.250 88 H THR 440 HN THR 440 8.357 -1.826 6.028 89 HA THR 440 HA THR 440 8.935 -4.131 7.696 90 HB THR 440 HB THR 440 10.305 -4.702 5.515 91 HG1 THR 440 HG1 THR 440 10.048 -2.669 4.502 92 HG21 THR 440 HG21 THR 440 8.303 -5.898 6.294 93 HG22 THR 440 HG22 THR 440 8.306 -5.701 4.542 94 HG23 THR 440 HG23 THR 440 7.286 -4.667 5.541 95 H ALA 441 HN ALA 441 11.081 -4.799 8.185 96 HA ALA 441 HA ALA 441 12.724 -2.863 9.286 97 HB1 ALA 441 HB1 ALA 441 13.542 -5.627 8.424 98 HB2 ALA 441 HB2 ALA 441 12.726 -5.220 9.932 99 HB3 ALA 441 HB3 ALA 441 14.353 -4.616 9.620 100 H ASP 442 HN ASP 442 12.414 -3.297 5.993 101 HA ASP 442 HA ASP 442 15.104 -2.555 5.252 102 HB2 ASP 442 HB2 ASP 442 14.324 -2.441 3.041 103 HB3 ASP 442 HB1 ASP 442 13.308 -3.691 3.751 104 H GLY 443 HN GLY 443 12.575 -1.089 6.778 105 HA2 GLY 443 HA2 GLY 443 12.655 1.037 7.732 106 HA3 GLY 443 HA1 GLY 443 13.824 1.524 6.515 107 H LYS 444 HN LYS 444 11.072 -0.076 5.162 108 HA LYS 444 HA LYS 444 9.535 2.426 5.124 109 HB2 LYS 444 HB2 LYS 444 9.593 0.997 2.726 110 HB3 LYS 444 HB1 LYS 444 9.335 2.661 2.941 111 HG2 LYS 444 HG2 LYS 444 11.785 2.935 3.358 112 HG3 LYS 444 HG1 LYS 444 11.993 1.258 2.848 113 HD2 LYS 444 HD2 LYS 444 10.842 3.497 1.184 114 HD3 LYS 444 HD1 LYS 444 12.451 2.799 1.012 115 HE2 LYS 444 HE2 LYS 444 9.871 1.278 0.668 116 HE3 LYS 444 HE1 LYS 444 10.815 1.961 -0.653 117 HZ1 LYS 444 HZ1 LYS 444 12.676 0.544 0.017 118 HZ2 LYS 444 HZ2 LYS 444 11.308 -0.365 -0.381 119 HZ3 LYS 444 HZ3 LYS 444 11.728 -0.144 1.246 120 H THR 445 HN THR 445 7.552 2.106 3.685 121 HA THR 445 HA THR 445 6.143 -0.209 4.768 122 HB THR 445 HB THR 445 4.167 1.297 3.842 123 HG1 THR 445 HG1 THR 445 4.675 3.451 3.809 124 HG21 THR 445 HG21 THR 445 4.415 0.627 6.170 125 HG22 THR 445 HG22 THR 445 3.978 2.332 6.060 126 HG23 THR 445 HG23 THR 445 5.643 1.868 6.412 127 H TYR 446 HN TYR 446 4.931 -1.526 3.562 128 HA TYR 446 HA TYR 446 5.061 -1.210 0.641 129 HB2 TYR 446 HB2 TYR 446 5.254 -3.577 0.374 130 HB3 TYR 446 HB1 TYR 446 6.445 -3.118 1.575 131 HD1 TYR 446 HD1 TYR 446 6.017 -3.610 3.989 132 HD2 TYR 446 HD2 TYR 446 3.493 -5.094 0.901 133 HE1 TYR 446 HE1 TYR 446 5.096 -5.270 5.547 134 HE2 TYR 446 HE2 TYR 446 2.567 -6.760 2.453 135 HH TYR 446 HH TYR 446 3.077 -6.626 5.810 136 H TYR 447 HN TYR 447 3.154 -1.697 -0.494 137 HA TYR 447 HA TYR 447 0.818 -1.390 1.246 138 HB2 TYR 447 HB2 TYR 447 1.182 -0.681 -1.671 139 HB3 TYR 447 HB1 TYR 447 -0.275 -0.387 -0.721 140 HD1 TYR 447 HD1 TYR 447 0.105 0.960 1.491 141 HD2 TYR 447 HD2 TYR 447 2.765 1.021 -1.823 142 HE1 TYR 447 HE1 TYR 447 1.048 3.078 2.309 143 HE2 TYR 447 HE2 TYR 447 3.708 3.152 -1.036 144 HH TYR 447 HH TYR 447 3.058 4.411 2.087 145 H TYR 448 HN TYR 448 -0.543 -2.959 1.489 146 HA TYR 448 HA TYR 448 -0.612 -5.147 -0.474 147 HB2 TYR 448 HB2 TYR 448 -0.032 -5.912 1.729 148 HB3 TYR 448 HB1 TYR 448 -1.366 -5.027 2.452 149 HD1 TYR 448 HD1 TYR 448 -0.555 -7.891 0.229 150 HD2 TYR 448 HD2 TYR 448 -3.482 -6.026 2.692 151 HE1 TYR 448 HE1 TYR 448 -1.957 -9.903 0.077 152 HE2 TYR 448 HE2 TYR 448 -4.894 -8.031 2.541 153 HH TYR 448 HH TYR 448 -3.758 -10.996 1.320 154 H ASN 449 HN ASN 449 -2.296 -5.215 -1.788 155 HA ASN 449 HA ASN 449 -4.708 -3.697 -1.170 156 HB2 ASN 449 HB2 ASN 449 -3.752 -3.566 -3.457 157 HB3 ASN 449 HB1 ASN 449 -4.033 -5.293 -3.654 158 HD21 ASN 449 HD21 ASN 449 -5.512 -2.156 -3.411 159 HD22 ASN 449 HD22 ASN 449 -7.072 -2.627 -3.983 160 H ASN 450 HN ASN 450 -6.496 -4.555 -0.436 161 HA ASN 450 HA ASN 450 -6.393 -7.261 0.508 162 HB2 ASN 450 HB2 ASN 450 -8.395 -5.028 0.853 163 HB3 ASN 450 HB1 ASN 450 -8.615 -6.625 1.558 164 HD21 ASN 450 HD21 ASN 450 -6.787 -3.674 1.645 165 HD22 ASN 450 HD22 ASN 450 -6.014 -3.964 3.167 166 H ARG 451 HN ARG 451 -7.424 -6.011 -2.393 167 HA ARG 451 HA ARG 451 -9.610 -7.936 -2.688 168 HB2 ARG 451 HB2 ARG 451 -8.568 -5.820 -4.581 169 HB3 ARG 451 HB1 ARG 451 -9.897 -6.911 -4.944 170 HG2 ARG 451 HG2 ARG 451 -11.186 -5.975 -3.110 171 HG3 ARG 451 HG1 ARG 451 -9.847 -4.896 -2.713 172 HD2 ARG 451 HD2 ARG 451 -11.393 -4.935 -5.300 173 HD3 ARG 451 HD1 ARG 451 -11.555 -3.738 -4.017 174 HE ARG 451 HE ARG 451 -9.040 -4.110 -5.514 175 HH11 ARG 451 HH11 ARG 451 -11.520 -2.077 -4.138 176 HH12 ARG 451 HH12 ARG 451 -10.793 -0.591 -4.669 177 HH21 ARG 451 HH21 ARG 451 -8.042 -2.139 -6.191 178 HH22 ARG 451 HH22 ARG 451 -8.793 -0.622 -5.795 179 H THR 452 HN THR 452 -6.625 -7.024 -4.398 180 HA THR 452 HA THR 452 -6.668 -9.545 -5.836 181 HB THR 452 HB THR 452 -4.540 -8.507 -6.877 182 HG1 THR 452 HG1 THR 452 -4.224 -6.363 -6.502 183 HG21 THR 452 HG21 THR 452 -7.231 -7.178 -7.221 184 HG22 THR 452 HG22 THR 452 -6.680 -8.640 -8.042 185 HG23 THR 452 HG23 THR 452 -5.894 -7.095 -8.368 186 H GLU 453 HN GLU 453 -5.587 -8.598 -2.887 187 HA GLU 453 HA GLU 453 -4.222 -9.520 -1.324 188 HB2 GLU 453 HB2 GLU 453 -4.114 -11.798 -3.306 189 HB3 GLU 453 HB1 GLU 453 -3.557 -11.884 -1.643 190 HG2 GLU 453 HG2 GLU 453 -5.779 -11.575 -0.813 191 HG3 GLU 453 HG1 GLU 453 -6.391 -11.258 -2.437 192 H GLU 454 HN GLU 454 -3.052 -7.740 -3.215 193 HA GLU 454 HA GLU 454 -0.464 -9.041 -3.818 194 HB2 GLU 454 HB2 GLU 454 -0.168 -7.459 -5.626 195 HB3 GLU 454 HB1 GLU 454 -1.710 -8.282 -5.800 196 HG2 GLU 454 HG2 GLU 454 -2.877 -6.347 -4.950 197 HG3 GLU 454 HG1 GLU 454 -1.344 -5.524 -4.658 198 H SER 455 HN SER 455 1.443 -8.097 -3.241 199 HA SER 455 HA SER 455 1.224 -5.670 -1.591 200 HB2 SER 455 HB2 SER 455 3.379 -6.663 -0.505 201 HB3 SER 455 HB1 SER 455 1.808 -7.325 -0.054 202 HG SER 455 HG SER 455 3.905 -8.568 -1.196 203 H THR 456 HN THR 456 2.062 -3.985 -2.587 204 HA THR 456 HA THR 456 4.459 -4.347 -4.255 205 HB THR 456 HB THR 456 2.404 -4.225 -5.688 206 HG1 THR 456 HG1 THR 456 3.277 -2.635 -7.085 207 HG21 THR 456 HG21 THR 456 1.207 -2.141 -5.910 208 HG22 THR 456 HG22 THR 456 2.234 -1.385 -4.692 209 HG23 THR 456 HG23 THR 456 1.131 -2.679 -4.232 210 H TRP 457 HN TRP 457 5.835 -2.537 -4.372 211 HA TRP 457 HA TRP 457 5.607 -0.742 -2.110 212 HB2 TRP 457 HB2 TRP 457 7.764 -1.004 -4.214 213 HB3 TRP 457 HB1 TRP 457 7.838 0.087 -2.835 214 HD1 TRP 457 HD1 TRP 457 8.183 -3.608 -3.742 215 HE1 TRP 457 HE1 TRP 457 9.150 -4.869 -1.710 216 HE3 TRP 457 HE3 TRP 457 7.884 0.123 -0.282 217 HZ2 TRP 457 HZ2 TRP 457 9.698 -4.325 1.023 218 HZ3 TRP 457 HZ3 TRP 457 8.615 -0.337 2.014 219 HH2 TRP 457 HH2 TRP 457 9.510 -2.479 2.651 220 H GLU 458 HN GLU 458 4.501 -0.738 -5.230 221 HA GLU 458 HA GLU 458 4.780 2.053 -5.825 222 HB2 GLU 458 HB2 GLU 458 4.485 0.392 -7.611 223 HB3 GLU 458 HB1 GLU 458 2.911 -0.040 -6.961 224 HG2 GLU 458 HG2 GLU 458 2.726 1.393 -8.922 225 HG3 GLU 458 HG1 GLU 458 2.058 2.166 -7.487 226 H LYS 459 HN LYS 459 3.618 3.663 -4.991 227 HA LYS 459 HA LYS 459 1.680 3.157 -2.985 228 HB2 LYS 459 HB2 LYS 459 3.202 5.159 -3.053 229 HB3 LYS 459 HB1 LYS 459 2.225 5.787 -4.371 230 HG2 LYS 459 HG2 LYS 459 0.321 6.003 -2.972 231 HG3 LYS 459 HG1 LYS 459 1.101 5.105 -1.671 232 HD2 LYS 459 HD2 LYS 459 2.204 7.701 -2.714 233 HD3 LYS 459 HD1 LYS 459 0.988 7.643 -1.439 234 HE2 LYS 459 HE2 LYS 459 3.064 7.799 -0.332 235 HE3 LYS 459 HE1 LYS 459 2.572 6.117 -0.182 236 HZ1 LYS 459 HZ1 LYS 459 4.902 6.279 -0.734 237 HZ2 LYS 459 HZ2 LYS 459 4.552 7.190 -2.120 238 HZ3 LYS 459 HZ3 LYS 459 4.066 5.572 -2.026 239 HA PRO 460 HA PRO 460 -1.893 2.262 -5.477 240 HB2 PRO 460 HB2 PRO 460 -3.559 3.409 -3.464 241 HB3 PRO 460 HB1 PRO 460 -3.234 1.702 -3.759 242 HG2 PRO 460 HG2 PRO 460 -2.039 3.531 -1.774 243 HG3 PRO 460 HG1 PRO 460 -2.208 1.771 -1.727 244 HD2 PRO 460 HD2 PRO 460 0.166 2.958 -2.129 245 HD3 PRO 460 HD1 PRO 460 -0.260 1.422 -2.914 246 H GLN 461 HN GLN 461 -3.265 3.354 -6.809 247 HA GLN 461 HA GLN 461 -2.821 6.041 -7.439 248 HB2 GLN 461 HB2 GLN 461 -3.926 4.257 -8.857 249 HB3 GLN 461 HB1 GLN 461 -5.388 4.542 -7.941 250 HG2 GLN 461 HG2 GLN 461 -5.426 5.738 -10.059 251 HG3 GLN 461 HG1 GLN 461 -5.454 6.846 -8.689 252 HE21 GLN 461 HE21 GLN 461 -3.692 8.172 -8.299 253 HE22 GLN 461 HE22 GLN 461 -2.437 8.405 -9.470 254 H GLU 462 HN GLU 462 -5.083 4.506 -5.305 255 HA GLU 462 HA GLU 462 -6.624 6.844 -4.743 256 HB2 GLU 462 HB2 GLU 462 -7.641 5.492 -2.955 257 HB3 GLU 462 HB1 GLU 462 -7.616 4.645 -4.490 258 HG2 GLU 462 HG2 GLU 462 -5.750 3.299 -3.761 259 HG3 GLU 462 HG1 GLU 462 -5.660 4.203 -2.250 260 H LEU 463 HN LEU 463 -3.494 6.208 -3.952 261 HA LEU 463 HA LEU 463 -3.741 7.697 -1.425 262 HB2 LEU 463 HB2 LEU 463 -3.172 5.268 -1.134 263 HB3 LEU 463 HB1 LEU 463 -1.660 5.592 -1.960 264 HG LEU 463 HG LEU 463 -1.036 7.184 -0.181 265 HD11 LEU 463 HD11 LEU 463 -2.340 7.251 1.887 266 HD12 LEU 463 HD12 LEU 463 -3.578 6.243 1.137 267 HD13 LEU 463 HD13 LEU 463 -3.263 7.864 0.515 268 HD21 LEU 463 HD21 LEU 463 -1.791 4.438 0.810 269 HD22 LEU 463 HD22 LEU 463 -0.624 5.523 1.565 270 HD23 LEU 463 HD23 LEU 463 -0.306 4.864 -0.038 271 H LYS 464 HN LYS 464 -2.086 7.402 -4.475 272 HA LYS 464 HA LYS 464 -0.272 9.536 -3.599 273 HB2 LYS 464 HB2 LYS 464 1.134 9.064 -5.537 274 HB3 LYS 464 HB1 LYS 464 0.948 7.653 -4.513 275 HG2 LYS 464 HG2 LYS 464 -0.282 6.508 -6.092 276 HG3 LYS 464 HG1 LYS 464 -0.793 7.984 -6.920 277 HD2 LYS 464 HD2 LYS 464 1.446 8.330 -7.768 278 HD3 LYS 464 HD1 LYS 464 2.044 6.951 -6.848 279 HE2 LYS 464 HE2 LYS 464 -0.146 6.595 -8.853 280 HE3 LYS 464 HE1 LYS 464 1.532 6.691 -9.380 281 HZ1 LYS 464 HZ1 LYS 464 0.698 4.397 -8.978 282 HZ2 LYS 464 HZ2 LYS 464 0.571 4.775 -7.330 283 HZ3 LYS 464 HZ3 LYS 464 2.087 4.794 -8.085 Start of MODEL 17 1 H1 GLY 428 HT1 GLY 428 -18.483 4.282 9.224 2 H2 GLY 428 HT2 GLY 428 -19.118 2.959 10.077 3 H3 GLY 428 HT3 GLY 428 -18.549 2.754 8.493 4 HA2 GLY 428 HA1 GLY 428 -16.304 3.234 9.173 5 HA3 GLY 428 HA2 GLY 428 -16.867 3.506 10.816 6 H ALA 429 HN ALA 429 -15.382 1.873 11.466 7 HA ALA 429 HA ALA 429 -14.939 -0.178 12.309 8 HB1 ALA 429 HB1 ALA 429 -16.684 -1.851 12.456 9 HB2 ALA 429 HB2 ALA 429 -17.660 -0.960 11.287 10 HB3 ALA 429 HB3 ALA 429 -17.319 -0.256 12.867 11 H THR 430 HN THR 430 -13.279 -0.973 11.240 12 HA THR 430 HA THR 430 -12.045 -2.248 9.832 13 HB THR 430 HB THR 430 -14.547 -3.653 8.917 14 HG1 THR 430 HG1 THR 430 -13.558 -4.819 11.127 15 HG21 THR 430 HG21 THR 430 -13.093 -5.628 9.012 16 HG22 THR 430 HG22 THR 430 -11.769 -4.631 9.615 17 HG23 THR 430 HG23 THR 430 -12.392 -4.378 7.984 18 H ALA 431 HN ALA 431 -13.112 0.247 8.858 19 HA ALA 431 HA ALA 431 -13.069 -0.327 5.976 20 HB1 ALA 431 HB1 ALA 431 -15.018 1.567 7.281 21 HB2 ALA 431 HB2 ALA 431 -15.411 -0.014 6.601 22 HB3 ALA 431 HB3 ALA 431 -14.843 1.282 5.548 23 H VAL 432 HN VAL 432 -11.038 0.447 5.657 24 HA VAL 432 HA VAL 432 -10.773 3.233 5.288 25 HB VAL 432 HB VAL 432 -10.416 3.339 7.679 26 HG11 VAL 432 HG11 VAL 432 -8.554 2.172 8.780 27 HG12 VAL 432 HG12 VAL 432 -8.224 1.310 7.277 28 HG13 VAL 432 HG13 VAL 432 -9.749 1.052 8.122 29 HG21 VAL 432 HG21 VAL 432 -9.096 4.846 6.313 30 HG22 VAL 432 HG22 VAL 432 -7.824 3.633 6.167 31 HG23 VAL 432 HG23 VAL 432 -8.180 4.352 7.737 32 H SER 433 HN SER 433 -9.633 3.390 3.521 33 HA SER 433 HA SER 433 -8.112 3.150 1.892 34 HB2 SER 433 HB2 SER 433 -5.781 2.529 2.537 35 HB3 SER 433 HB1 SER 433 -6.482 3.814 3.516 36 HG SER 433 HG SER 433 -6.949 1.346 4.571 37 H GLU 434 HN GLU 434 -8.212 1.823 0.244 38 HA GLU 434 HA GLU 434 -8.871 -0.899 0.420 39 HB2 GLU 434 HB2 GLU 434 -9.188 0.584 -1.603 40 HB3 GLU 434 HB1 GLU 434 -7.468 0.418 -1.911 41 HG2 GLU 434 HG2 GLU 434 -8.619 -1.131 -3.294 42 HG3 GLU 434 HG1 GLU 434 -7.794 -2.038 -2.026 43 H TRP 435 HN TRP 435 -5.820 0.764 0.384 44 HA TRP 435 HA TRP 435 -4.435 -1.821 0.439 45 HB2 TRP 435 HB2 TRP 435 -3.246 0.904 -0.062 46 HB3 TRP 435 HB1 TRP 435 -2.384 -0.634 -0.041 47 HD1 TRP 435 HD1 TRP 435 -5.311 0.964 -2.113 48 HE1 TRP 435 HE1 TRP 435 -5.008 0.237 -4.561 49 HE3 TRP 435 HE3 TRP 435 -1.195 -2.036 -1.596 50 HZ2 TRP 435 HZ2 TRP 435 -3.277 -1.373 -6.074 51 HZ3 TRP 435 HZ3 TRP 435 -0.279 -3.122 -3.598 52 HH2 TRP 435 HH2 TRP 435 -1.296 -2.798 -5.793 53 H THR 436 HN THR 436 -3.258 -2.360 2.093 54 HA THR 436 HA THR 436 -3.291 -0.694 4.499 55 HB THR 436 HB THR 436 -2.628 -3.588 4.009 56 HG1 THR 436 HG1 THR 436 -4.994 -2.213 4.601 57 HG21 THR 436 HG21 THR 436 -3.039 -2.102 6.615 58 HG22 THR 436 HG22 THR 436 -1.518 -2.773 6.029 59 HG23 THR 436 HG23 THR 436 -2.846 -3.848 6.465 60 H GLU 437 HN GLU 437 -1.307 -0.163 5.560 61 HA GLU 437 HA GLU 437 1.102 -0.779 3.982 62 HB2 GLU 437 HB2 GLU 437 1.985 1.395 4.450 63 HB3 GLU 437 HB1 GLU 437 0.373 1.592 3.786 64 HG2 GLU 437 HG2 GLU 437 1.053 1.732 6.709 65 HG3 GLU 437 HG1 GLU 437 0.904 3.126 5.646 66 H TYR 438 HN TYR 438 2.793 -1.609 5.022 67 HA TYR 438 HA TYR 438 2.997 -1.294 7.945 68 HB2 TYR 438 HB2 TYR 438 3.587 -3.809 6.371 69 HB3 TYR 438 HB1 TYR 438 3.996 -3.573 8.059 70 HD1 TYR 438 HD1 TYR 438 2.065 -3.172 9.697 71 HD2 TYR 438 HD2 TYR 438 1.508 -4.688 5.765 72 HE1 TYR 438 HE1 TYR 438 -0.112 -4.093 10.369 73 HE2 TYR 438 HE2 TYR 438 -0.676 -5.607 6.422 74 HH TYR 438 HH TYR 438 -2.259 -4.741 9.259 75 H LYS 439 HN LYS 439 5.037 -0.684 8.612 76 HA LYS 439 HA LYS 439 7.007 -0.280 6.501 77 HB2 LYS 439 HB2 LYS 439 6.453 1.546 8.202 78 HB3 LYS 439 HB1 LYS 439 7.314 0.571 9.382 79 HG2 LYS 439 HG2 LYS 439 8.923 2.093 8.694 80 HG3 LYS 439 HG1 LYS 439 9.286 0.673 7.719 81 HD2 LYS 439 HD2 LYS 439 9.436 2.499 6.202 82 HD3 LYS 439 HD1 LYS 439 7.911 1.737 5.834 83 HE2 LYS 439 HE2 LYS 439 6.797 3.424 7.380 84 HE3 LYS 439 HE1 LYS 439 8.345 4.250 7.489 85 HZ1 LYS 439 HZ1 LYS 439 6.774 3.801 5.006 86 HZ2 LYS 439 HZ2 LYS 439 8.299 4.536 5.066 87 HZ3 LYS 439 HZ3 LYS 439 6.971 5.277 5.815 88 H THR 440 HN THR 440 8.270 -1.846 6.055 89 HA THR 440 HA THR 440 8.706 -4.008 7.934 90 HB THR 440 HB THR 440 9.792 -5.039 5.812 91 HG1 THR 440 HG1 THR 440 9.943 -3.348 4.413 92 HG21 THR 440 HG21 THR 440 7.617 -5.739 4.999 93 HG22 THR 440 HG22 THR 440 6.850 -4.386 5.829 94 HG23 THR 440 HG23 THR 440 7.605 -5.681 6.764 95 H ALA 441 HN ALA 441 10.769 -4.885 8.328 96 HA ALA 441 HA ALA 441 12.568 -3.121 9.387 97 HB1 ALA 441 HB1 ALA 441 13.194 -5.920 8.488 98 HB2 ALA 441 HB2 ALA 441 12.364 -5.485 9.982 99 HB3 ALA 441 HB3 ALA 441 14.038 -4.993 9.727 100 H ASP 442 HN ASP 442 12.332 -3.536 6.039 101 HA ASP 442 HA ASP 442 15.105 -2.879 5.504 102 HB2 ASP 442 HB2 ASP 442 14.386 -2.539 3.180 103 HB3 ASP 442 HB1 ASP 442 13.819 -4.089 3.793 104 H GLY 443 HN GLY 443 12.571 -1.316 6.832 105 HA2 GLY 443 HA2 GLY 443 12.709 0.832 7.732 106 HA3 GLY 443 HA1 GLY 443 13.918 1.244 6.528 107 H LYS 444 HN LYS 444 11.093 -0.264 5.206 108 HA LYS 444 HA LYS 444 9.721 2.318 4.968 109 HB2 LYS 444 HB2 LYS 444 9.774 0.731 2.670 110 HB3 LYS 444 HB1 LYS 444 9.619 2.418 2.761 111 HG2 LYS 444 HG2 LYS 444 12.046 2.601 3.238 112 HG3 LYS 444 HG1 LYS 444 12.193 0.869 2.948 113 HD2 LYS 444 HD2 LYS 444 11.193 2.882 0.936 114 HD3 LYS 444 HD1 LYS 444 12.833 2.237 0.990 115 HE2 LYS 444 HE2 LYS 444 10.335 0.590 0.628 116 HE3 LYS 444 HE1 LYS 444 11.389 1.118 -0.681 117 HZ1 LYS 444 HZ1 LYS 444 11.947 -1.109 -0.101 118 HZ2 LYS 444 HZ2 LYS 444 12.087 -0.730 1.548 119 HZ3 LYS 444 HZ3 LYS 444 13.213 -0.116 0.432 120 H THR 445 HN THR 445 7.697 2.050 3.583 121 HA THR 445 HA THR 445 6.206 -0.198 4.729 122 HB THR 445 HB THR 445 4.222 1.252 3.891 123 HG1 THR 445 HG1 THR 445 5.986 2.750 2.926 124 HG21 THR 445 HG21 THR 445 4.656 0.831 6.242 125 HG22 THR 445 HG22 THR 445 4.192 2.516 5.999 126 HG23 THR 445 HG23 THR 445 5.884 2.096 6.261 127 H TYR 446 HN TYR 446 5.046 -1.550 3.582 128 HA TYR 446 HA TYR 446 5.102 -1.274 0.655 129 HB2 TYR 446 HB2 TYR 446 5.114 -3.628 0.426 130 HB3 TYR 446 HB1 TYR 446 6.288 -3.300 1.675 131 HD1 TYR 446 HD1 TYR 446 5.881 -3.952 3.987 132 HD2 TYR 446 HD2 TYR 446 3.016 -4.751 0.952 133 HE1 TYR 446 HE1 TYR 446 4.740 -5.534 5.486 134 HE2 TYR 446 HE2 TYR 446 1.869 -6.335 2.436 135 HH TYR 446 HH TYR 446 2.596 -6.569 5.783 136 H TYR 447 HN TYR 447 3.132 -1.757 -0.458 137 HA TYR 447 HA TYR 447 0.823 -1.311 1.301 138 HB2 TYR 447 HB2 TYR 447 1.215 -0.497 -1.586 139 HB3 TYR 447 HB1 TYR 447 -0.223 -0.171 -0.616 140 HD1 TYR 447 HD2 TYR 447 0.493 0.863 1.817 141 HD2 TYR 447 HD1 TYR 447 2.621 1.341 -1.836 142 HE1 TYR 447 HE2 TYR 447 1.536 2.901 2.707 143 HE2 TYR 447 HE1 TYR 447 3.680 3.385 -0.953 144 HH TYR 447 HH TYR 447 3.565 4.231 2.341 145 H TYR 448 HN TYR 448 -0.669 -2.747 1.429 146 HA TYR 448 HA TYR 448 -0.690 -5.013 -0.449 147 HB2 TYR 448 HB2 TYR 448 -0.143 -5.813 1.703 148 HB3 TYR 448 HB1 TYR 448 -1.293 -4.743 2.491 149 HD1 TYR 448 HD2 TYR 448 -0.955 -7.858 0.519 150 HD2 TYR 448 HD1 TYR 448 -3.537 -5.407 2.846 151 HE1 TYR 448 HE2 TYR 448 -2.595 -9.690 0.628 152 HE2 TYR 448 HE1 TYR 448 -5.177 -7.228 2.964 153 HH TYR 448 HH TYR 448 -5.783 -9.255 1.625 154 H ASN 449 HN ASN 449 -2.354 -5.032 -1.827 155 HA ASN 449 HA ASN 449 -4.746 -3.468 -1.240 156 HB2 ASN 449 HB2 ASN 449 -3.749 -3.286 -3.479 157 HB3 ASN 449 HB1 ASN 449 -3.979 -5.011 -3.729 158 HD21 ASN 449 HD21 ASN 449 -5.563 -1.926 -3.464 159 HD22 ASN 449 HD22 ASN 449 -7.075 -2.426 -4.124 160 H ASN 450 HN ASN 450 -6.595 -4.273 -0.593 161 HA ASN 450 HA ASN 450 -6.655 -7.031 0.223 162 HB2 ASN 450 HB2 ASN 450 -8.560 -4.729 0.636 163 HB3 ASN 450 HB1 ASN 450 -8.867 -6.351 1.250 164 HD21 ASN 450 HD21 ASN 450 -6.931 -3.481 1.555 165 HD22 ASN 450 HD22 ASN 450 -6.227 -3.883 3.083 166 H ARG 451 HN ARG 451 -7.458 -5.668 -2.673 167 HA ARG 451 HA ARG 451 -9.867 -7.271 -3.083 168 HB2 ARG 451 HB2 ARG 451 -8.361 -5.535 -5.050 169 HB3 ARG 451 HB1 ARG 451 -9.920 -6.295 -5.329 170 HG2 ARG 451 HG2 ARG 451 -10.958 -4.899 -3.684 171 HG3 ARG 451 HG1 ARG 451 -9.394 -4.231 -3.207 172 HD2 ARG 451 HD2 ARG 451 -10.713 -3.932 -5.907 173 HD3 ARG 451 HD1 ARG 451 -10.596 -2.686 -4.665 174 HE ARG 451 HE ARG 451 -8.160 -3.845 -5.839 175 HH11 ARG 451 HH11 ARG 451 -10.222 -1.071 -5.240 176 HH12 ARG 451 HH12 ARG 451 -9.030 0.080 -5.777 177 HH21 ARG 451 HH21 ARG 451 -6.604 -2.303 -6.560 178 HH22 ARG 451 HH22 ARG 451 -7.001 -0.607 -6.508 179 H THR 452 HN THR 452 -6.480 -7.306 -3.740 180 HA THR 452 HA THR 452 -6.785 -9.747 -5.355 181 HB THR 452 HB THR 452 -4.748 -8.878 -6.632 182 HG1 THR 452 HG1 THR 452 -4.383 -6.652 -6.493 183 HG21 THR 452 HG21 THR 452 -6.095 -7.511 -8.133 184 HG22 THR 452 HG22 THR 452 -7.314 -7.303 -6.876 185 HG23 THR 452 HG23 THR 452 -7.031 -8.900 -7.577 186 H GLU 453 HN GLU 453 -5.654 -8.524 -2.567 187 HA GLU 453 HA GLU 453 -4.091 -9.053 -1.025 188 HB2 GLU 453 HB2 GLU 453 -4.198 -11.591 -2.631 189 HB3 GLU 453 HB1 GLU 453 -3.087 -11.427 -1.281 190 HG2 GLU 453 HG2 GLU 453 -5.025 -12.523 -0.480 191 HG3 GLU 453 HG1 GLU 453 -5.037 -10.889 0.170 192 H GLU 454 HN GLU 454 -3.228 -7.551 -3.345 193 HA GLU 454 HA GLU 454 -0.596 -8.709 -3.962 194 HB2 GLU 454 HB2 GLU 454 -0.454 -7.147 -5.803 195 HB3 GLU 454 HB1 GLU 454 -1.990 -7.996 -5.869 196 HG2 GLU 454 HG2 GLU 454 -3.108 -6.047 -4.919 197 HG3 GLU 454 HG1 GLU 454 -1.565 -5.196 -4.849 198 H SER 455 HN SER 455 1.238 -7.953 -3.141 199 HA SER 455 HA SER 455 1.138 -5.422 -1.640 200 HB2 SER 455 HB2 SER 455 3.371 -7.431 -1.430 201 HB3 SER 455 HB1 SER 455 2.829 -6.249 -0.248 202 HG SER 455 HG SER 455 0.947 -8.131 -0.991 203 H THR 456 HN THR 456 2.054 -3.709 -2.587 204 HA THR 456 HA THR 456 4.392 -4.140 -4.300 205 HB THR 456 HB THR 456 2.265 -3.901 -5.688 206 HG1 THR 456 HG1 THR 456 4.408 -3.508 -6.490 207 HG21 THR 456 HG21 THR 456 1.192 -2.124 -4.384 208 HG22 THR 456 HG22 THR 456 1.449 -1.616 -6.054 209 HG23 THR 456 HG23 THR 456 2.516 -1.029 -4.779 210 H TRP 457 HN TRP 457 5.806 -2.351 -4.462 211 HA TRP 457 HA TRP 457 5.682 -0.655 -2.107 212 HB2 TRP 457 HB2 TRP 457 7.875 -1.080 -4.138 213 HB3 TRP 457 HB1 TRP 457 8.004 -0.009 -2.749 214 HD1 TRP 457 HD1 TRP 457 8.033 -3.716 -3.680 215 HE1 TRP 457 HE1 TRP 457 8.834 -5.065 -1.628 216 HE3 TRP 457 HE3 TRP 457 7.972 0.016 -0.216 217 HZ2 TRP 457 HZ2 TRP 457 9.349 -4.577 1.117 218 HZ3 TRP 457 HZ3 TRP 457 8.590 -0.514 2.094 219 HH2 TRP 457 HH2 TRP 457 9.278 -2.724 2.750 220 H GLU 458 HN GLU 458 4.865 -0.433 -5.355 221 HA GLU 458 HA GLU 458 5.483 2.351 -5.731 222 HB2 GLU 458 HB2 GLU 458 5.131 0.370 -7.476 223 HB3 GLU 458 HB1 GLU 458 3.462 0.910 -7.404 224 HG2 GLU 458 HG2 GLU 458 5.758 2.740 -8.042 225 HG3 GLU 458 HG1 GLU 458 4.857 1.854 -9.266 226 H LYS 459 HN LYS 459 4.213 4.057 -5.270 227 HA LYS 459 HA LYS 459 2.189 3.781 -3.357 228 HB2 LYS 459 HB2 LYS 459 3.703 5.758 -3.721 229 HB3 LYS 459 HB1 LYS 459 2.704 6.193 -5.098 230 HG2 LYS 459 HG2 LYS 459 0.919 6.817 -3.771 231 HG3 LYS 459 HG1 LYS 459 1.469 5.850 -2.396 232 HD2 LYS 459 HD2 LYS 459 3.286 7.371 -1.983 233 HD3 LYS 459 HD1 LYS 459 2.934 8.263 -3.462 234 HE2 LYS 459 HE2 LYS 459 2.163 9.418 -1.429 235 HE3 LYS 459 HE1 LYS 459 0.851 9.051 -2.547 236 HZ1 LYS 459 HZ1 LYS 459 0.208 7.204 -1.175 237 HZ2 LYS 459 HZ2 LYS 459 0.283 8.602 -0.224 238 HZ3 LYS 459 HZ3 LYS 459 1.521 7.449 -0.129 239 HA PRO 460 HA PRO 460 -1.045 2.357 -6.023 240 HB2 PRO 460 HB2 PRO 460 -2.733 3.058 -3.689 241 HB3 PRO 460 HB1 PRO 460 -2.563 1.518 -4.538 242 HG2 PRO 460 HG2 PRO 460 -1.475 1.862 -2.139 243 HG3 PRO 460 HG1 PRO 460 -0.620 0.957 -3.403 244 HD2 PRO 460 HD2 PRO 460 -0.194 3.766 -2.465 245 HD3 PRO 460 HD1 PRO 460 1.003 2.524 -2.888 246 H GLN 461 HN GLN 461 -2.922 3.052 -7.057 247 HA GLN 461 HA GLN 461 -3.059 5.797 -7.707 248 HB2 GLN 461 HB2 GLN 461 -3.721 3.940 -9.206 249 HB3 GLN 461 HB1 GLN 461 -5.097 3.613 -8.178 250 HG2 GLN 461 HG2 GLN 461 -4.830 6.352 -9.285 251 HG3 GLN 461 HG1 GLN 461 -5.294 5.056 -10.385 252 HE21 GLN 461 HE21 GLN 461 -6.690 3.574 -8.285 253 HE22 GLN 461 HE22 GLN 461 -8.177 4.415 -8.030 254 H GLU 462 HN GLU 462 -5.075 3.703 -5.729 255 HA GLU 462 HA GLU 462 -6.823 5.879 -4.955 256 HB2 GLU 462 HB2 GLU 462 -7.828 4.119 -3.429 257 HB3 GLU 462 HB1 GLU 462 -7.913 3.792 -5.147 258 HG2 GLU 462 HG2 GLU 462 -5.682 2.675 -3.524 259 HG3 GLU 462 HG1 GLU 462 -7.270 1.909 -3.519 260 H LEU 463 HN LEU 463 -3.782 5.382 -4.129 261 HA LEU 463 HA LEU 463 -4.186 6.417 -1.420 262 HB2 LEU 463 HB2 LEU 463 -3.830 3.929 -1.325 263 HB3 LEU 463 HB1 LEU 463 -2.244 4.186 -2.025 264 HG LEU 463 HG LEU 463 -1.660 5.596 -0.045 265 HD11 LEU 463 HD11 LEU 463 -3.062 5.431 1.951 266 HD12 LEU 463 HD12 LEU 463 -4.281 4.555 1.023 267 HD13 LEU 463 HD13 LEU 463 -3.906 6.233 0.625 268 HD21 LEU 463 HD21 LEU 463 -1.292 3.737 1.449 269 HD22 LEU 463 HD22 LEU 463 -1.030 3.225 -0.217 270 HD23 LEU 463 HD23 LEU 463 -2.519 2.789 0.615 271 H LYS 464 HN LYS 464 -3.347 7.591 -3.985 272 HA LYS 464 HA LYS 464 -0.523 8.157 -3.517 273 HB2 LYS 464 HB2 LYS 464 -0.687 9.438 -5.675 274 HB3 LYS 464 HB1 LYS 464 -1.005 7.715 -5.809 275 HG2 LYS 464 HG2 LYS 464 -3.274 8.033 -6.170 276 HG3 LYS 464 HG1 LYS 464 -3.256 9.659 -5.485 277 HD2 LYS 464 HD2 LYS 464 -2.011 8.800 -8.095 278 HD3 LYS 464 HD1 LYS 464 -3.479 9.760 -7.901 279 HE2 LYS 464 HE2 LYS 464 -0.670 10.538 -7.136 280 HE3 LYS 464 HE1 LYS 464 -1.659 11.241 -8.416 281 HZ1 LYS 464 HZ1 LYS 464 -3.190 12.054 -6.734 282 HZ2 LYS 464 HZ2 LYS 464 -1.625 12.643 -6.450 283 HZ3 LYS 464 HZ3 LYS 464 -2.240 11.377 -5.501 Start of MODEL 18 1 H1 GLY 428 HT1 GLY 428 -15.198 -0.769 -2.949 2 H2 GLY 428 HT2 GLY 428 -14.501 0.424 -3.937 3 H3 GLY 428 HT3 GLY 428 -16.134 0.010 -4.126 4 HA2 GLY 428 HA1 GLY 428 -14.908 1.369 -1.793 5 HA3 GLY 428 HA2 GLY 428 -16.005 2.083 -2.968 6 H ALA 429 HN ALA 429 -15.787 0.694 0.040 7 HA ALA 429 HA ALA 429 -18.690 0.396 0.187 8 HB1 ALA 429 HB1 ALA 429 -16.800 -1.763 1.125 9 HB2 ALA 429 HB2 ALA 429 -17.862 -1.863 -0.280 10 HB3 ALA 429 HB3 ALA 429 -18.552 -1.748 1.340 11 H THR 430 HN THR 430 -19.312 1.637 1.776 12 HA THR 430 HA THR 430 -19.405 2.825 3.693 13 HB THR 430 HB THR 430 -18.772 1.579 5.790 14 HG1 THR 430 HG1 THR 430 -17.764 -0.297 5.666 15 HG21 THR 430 HG21 THR 430 -20.548 -0.107 5.519 16 HG22 THR 430 HG22 THR 430 -20.522 0.166 3.776 17 HG23 THR 430 HG23 THR 430 -21.013 1.463 4.865 18 H ALA 431 HN ALA 431 -17.060 3.252 2.088 19 HA ALA 431 HA ALA 431 -15.123 4.410 2.088 20 HB1 ALA 431 HB1 ALA 431 -16.449 6.035 3.346 21 HB2 ALA 431 HB2 ALA 431 -14.754 6.048 3.838 22 HB3 ALA 431 HB3 ALA 431 -15.962 5.261 4.856 23 H VAL 432 HN VAL 432 -13.934 2.440 2.025 24 HA VAL 432 HA VAL 432 -12.181 2.209 4.360 25 HB VAL 432 HB VAL 432 -11.925 -0.222 3.959 26 HG11 VAL 432 HG11 VAL 432 -14.752 0.638 4.551 27 HG12 VAL 432 HG12 VAL 432 -13.425 0.549 5.709 28 HG13 VAL 432 HG13 VAL 432 -14.044 -0.923 4.962 29 HG21 VAL 432 HG21 VAL 432 -12.609 -0.321 1.629 30 HG22 VAL 432 HG22 VAL 432 -14.256 0.120 2.078 31 HG23 VAL 432 HG23 VAL 432 -13.583 -1.420 2.607 32 H SER 433 HN SER 433 -10.056 2.043 3.899 33 HA SER 433 HA SER 433 -9.139 2.832 1.333 34 HB2 SER 433 HB2 SER 433 -6.854 2.321 2.356 35 HB3 SER 433 HB1 SER 433 -7.836 3.511 3.210 36 HG SER 433 HG SER 433 -7.494 0.770 3.867 37 H GLU 434 HN GLU 434 -8.338 1.672 -0.335 38 HA GLU 434 HA GLU 434 -8.973 -1.123 -0.437 39 HB2 GLU 434 HB2 GLU 434 -9.225 0.220 -2.443 40 HB3 GLU 434 HB1 GLU 434 -7.543 0.686 -2.396 41 HG2 GLU 434 HG2 GLU 434 -6.900 -1.572 -2.859 42 HG3 GLU 434 HG1 GLU 434 -8.571 -2.098 -2.852 43 H TRP 435 HN TRP 435 -6.143 0.791 0.182 44 HA TRP 435 HA TRP 435 -4.579 -1.698 0.368 45 HB2 TRP 435 HB2 TRP 435 -3.463 1.031 -0.254 46 HB3 TRP 435 HB1 TRP 435 -2.573 -0.489 -0.126 47 HD1 TRP 435 HD1 TRP 435 -5.551 0.820 -2.255 48 HE1 TRP 435 HE1 TRP 435 -5.242 0.014 -4.673 49 HE3 TRP 435 HE3 TRP 435 -1.213 -1.796 -1.656 50 HZ2 TRP 435 HZ2 TRP 435 -3.369 -1.514 -6.140 51 HZ3 TRP 435 HZ3 TRP 435 -0.222 -2.901 -3.612 52 HH2 TRP 435 HH2 TRP 435 -1.278 -2.766 -5.814 53 H THR 436 HN THR 436 -3.147 -1.927 1.952 54 HA THR 436 HA THR 436 -3.219 0.007 4.173 55 HB THR 436 HB THR 436 -2.943 -2.984 4.215 56 HG1 THR 436 HG1 THR 436 -5.101 -1.390 4.148 57 HG21 THR 436 HG21 THR 436 -3.169 -1.025 6.512 58 HG22 THR 436 HG22 THR 436 -1.715 -1.909 6.054 59 HG23 THR 436 HG23 THR 436 -3.121 -2.781 6.665 60 H GLU 437 HN GLU 437 -1.167 0.506 5.074 61 HA GLU 437 HA GLU 437 1.093 -0.595 3.552 62 HB2 GLU 437 HB2 GLU 437 2.225 1.485 3.736 63 HB3 GLU 437 HB1 GLU 437 0.594 1.825 3.190 64 HG2 GLU 437 HG2 GLU 437 1.652 2.191 5.975 65 HG3 GLU 437 HG1 GLU 437 1.361 3.465 4.802 66 H TYR 438 HN TYR 438 2.714 -1.540 4.562 67 HA TYR 438 HA TYR 438 2.898 -1.333 7.498 68 HB2 TYR 438 HB2 TYR 438 3.322 -3.817 5.817 69 HB3 TYR 438 HB1 TYR 438 3.622 -3.702 7.545 70 HD1 TYR 438 HD1 TYR 438 1.644 -3.224 9.072 71 HD2 TYR 438 HD2 TYR 438 1.186 -4.383 5.003 72 HE1 TYR 438 HE1 TYR 438 -0.669 -3.914 9.536 73 HE2 TYR 438 HE2 TYR 438 -1.131 -5.073 5.454 74 HH TYR 438 HH TYR 438 -2.492 -5.785 7.403 75 H LYS 439 HN LYS 439 4.916 -0.940 8.279 76 HA LYS 439 HA LYS 439 7.036 -0.580 6.305 77 HB2 LYS 439 HB2 LYS 439 6.453 1.169 8.075 78 HB3 LYS 439 HB1 LYS 439 7.201 0.087 9.238 79 HG2 LYS 439 HG2 LYS 439 8.919 1.541 8.749 80 HG3 LYS 439 HG1 LYS 439 9.257 0.198 7.663 81 HD2 LYS 439 HD2 LYS 439 9.573 2.139 6.327 82 HD3 LYS 439 HD1 LYS 439 8.041 1.496 5.823 83 HE2 LYS 439 HE2 LYS 439 7.886 3.915 6.117 84 HE3 LYS 439 HE1 LYS 439 6.843 3.097 7.277 85 HZ1 LYS 439 HZ1 LYS 439 8.109 4.967 8.224 86 HZ2 LYS 439 HZ2 LYS 439 9.553 4.134 7.910 87 HZ3 LYS 439 HZ3 LYS 439 8.426 3.495 9.008 88 H THR 440 HN THR 440 8.492 -2.029 5.945 89 HA THR 440 HA THR 440 8.714 -4.384 7.630 90 HB THR 440 HB THR 440 10.300 -5.064 5.676 91 HG1 THR 440 HG1 THR 440 10.542 -3.517 4.251 92 HG21 THR 440 HG21 THR 440 8.090 -6.043 6.053 93 HG22 THR 440 HG22 THR 440 8.384 -5.796 4.333 94 HG23 THR 440 HG23 THR 440 7.338 -4.685 5.217 95 H ALA 441 HN ALA 441 10.749 -5.192 8.337 96 HA ALA 441 HA ALA 441 12.188 -3.423 9.869 97 HB1 ALA 441 HB1 ALA 441 13.730 -5.226 10.306 98 HB2 ALA 441 HB2 ALA 441 13.163 -6.091 8.878 99 HB3 ALA 441 HB3 ALA 441 12.076 -5.836 10.243 100 H ASP 442 HN ASP 442 12.688 -3.928 6.477 101 HA ASP 442 HA ASP 442 15.396 -2.951 6.444 102 HB2 ASP 442 HB2 ASP 442 15.119 -2.741 4.027 103 HB3 ASP 442 HB1 ASP 442 14.504 -4.297 4.574 104 H GLY 443 HN GLY 443 12.501 -1.568 7.159 105 HA2 GLY 443 HA2 GLY 443 12.339 0.578 8.054 106 HA3 GLY 443 HA1 GLY 443 13.764 1.044 7.145 107 H LYS 444 HN LYS 444 11.053 -0.529 5.466 108 HA LYS 444 HA LYS 444 9.858 2.105 4.973 109 HB2 LYS 444 HB2 LYS 444 9.982 0.408 2.766 110 HB3 LYS 444 HB1 LYS 444 9.908 2.111 2.792 111 HG2 LYS 444 HG2 LYS 444 12.286 2.258 3.238 112 HG3 LYS 444 HG1 LYS 444 12.402 0.497 3.300 113 HD2 LYS 444 HD2 LYS 444 11.434 0.588 0.902 114 HD3 LYS 444 HD1 LYS 444 11.936 2.279 0.936 115 HE2 LYS 444 HE2 LYS 444 13.726 1.082 -0.033 116 HE3 LYS 444 HE1 LYS 444 14.224 1.468 1.612 117 HZ1 LYS 444 HZ1 LYS 444 13.417 -0.827 2.220 118 HZ2 LYS 444 HZ2 LYS 444 14.807 -0.763 1.243 119 HZ3 LYS 444 HZ3 LYS 444 13.307 -1.142 0.552 120 H THR 445 HN THR 445 7.876 1.937 3.615 121 HA THR 445 HA THR 445 6.260 -0.301 4.543 122 HB THR 445 HB THR 445 4.358 1.115 3.670 123 HG1 THR 445 HG1 THR 445 5.866 2.454 2.378 124 HG21 THR 445 HG21 THR 445 6.071 2.258 5.877 125 HG22 THR 445 HG22 THR 445 4.855 0.993 6.049 126 HG23 THR 445 HG23 THR 445 4.369 2.630 5.606 127 H TYR 446 HN TYR 446 5.221 -1.661 3.301 128 HA TYR 446 HA TYR 446 5.373 -1.280 0.390 129 HB2 TYR 446 HB2 TYR 446 5.388 -3.641 0.086 130 HB3 TYR 446 HB1 TYR 446 6.576 -3.304 1.326 131 HD1 TYR 446 HD1 TYR 446 6.097 -3.867 3.697 132 HD2 TYR 446 HD2 TYR 446 3.449 -4.964 0.554 133 HE1 TYR 446 HE1 TYR 446 5.009 -5.493 5.187 134 HE2 TYR 446 HE2 TYR 446 2.353 -6.589 2.036 135 HH TYR 446 HH TYR 446 2.921 -6.682 5.420 136 H TYR 447 HN TYR 447 3.455 -1.532 -0.754 137 HA TYR 447 HA TYR 447 1.146 -1.043 0.953 138 HB2 TYR 447 HB2 TYR 447 1.574 -0.519 -1.993 139 HB3 TYR 447 HB1 TYR 447 0.103 -0.121 -1.102 140 HD1 TYR 447 HD1 TYR 447 0.649 1.198 1.194 141 HD2 TYR 447 HD2 TYR 447 3.053 1.245 -2.314 142 HE1 TYR 447 HE1 TYR 447 1.648 3.317 1.926 143 HE2 TYR 447 HE2 TYR 447 4.056 3.375 -1.600 144 HH TYR 447 HH TYR 447 3.674 4.614 1.559 145 H TYR 448 HN TYR 448 -0.383 -2.413 1.253 146 HA TYR 448 HA TYR 448 -0.437 -4.879 -0.352 147 HB2 TYR 448 HB2 TYR 448 0.217 -5.177 1.964 148 HB3 TYR 448 HB1 TYR 448 -1.220 -4.345 2.522 149 HD1 TYR 448 HD1 TYR 448 -3.493 -5.485 1.911 150 HD2 TYR 448 HD2 TYR 448 0.265 -7.474 1.823 151 HE1 TYR 448 HE1 TYR 448 -4.639 -7.646 2.155 152 HE2 TYR 448 HE2 TYR 448 -0.872 -9.641 2.056 153 HH TYR 448 HH TYR 448 -4.119 -10.094 1.590 154 H ASN 449 HN ASN 449 -2.091 -5.106 -1.610 155 HA ASN 449 HA ASN 449 -4.491 -3.474 -1.252 156 HB2 ASN 449 HB2 ASN 449 -3.565 -3.434 -3.458 157 HB3 ASN 449 HB1 ASN 449 -3.482 -5.184 -3.513 158 HD21 ASN 449 HD21 ASN 449 -5.479 -2.413 -3.915 159 HD22 ASN 449 HD22 ASN 449 -6.849 -3.251 -4.546 160 H ASN 450 HN ASN 450 -6.334 -4.245 -0.497 161 HA ASN 450 HA ASN 450 -6.353 -6.874 0.633 162 HB2 ASN 450 HB2 ASN 450 -8.522 -4.775 0.552 163 HB3 ASN 450 HB1 ASN 450 -8.538 -6.223 1.551 164 HD21 ASN 450 HD21 ASN 450 -8.501 -3.289 2.129 165 HD22 ASN 450 HD22 ASN 450 -7.194 -3.087 3.232 166 H ARG 451 HN ARG 451 -7.342 -5.699 -2.392 167 HA ARG 451 HA ARG 451 -9.651 -7.320 -2.800 168 HB2 ARG 451 HB2 ARG 451 -7.748 -6.399 -4.954 169 HB3 ARG 451 HB1 ARG 451 -9.429 -6.865 -5.149 170 HG2 ARG 451 HG2 ARG 451 -10.167 -4.884 -4.015 171 HG3 ARG 451 HG1 ARG 451 -8.502 -4.455 -3.607 172 HD2 ARG 451 HD2 ARG 451 -9.752 -4.564 -6.344 173 HD3 ARG 451 HD1 ARG 451 -9.134 -3.144 -5.499 174 HE ARG 451 HE ARG 451 -7.168 -5.210 -5.955 175 HH11 ARG 451 HH11 ARG 451 -8.607 -2.253 -7.135 176 HH12 ARG 451 HH12 ARG 451 -7.332 -1.941 -8.272 177 HH21 ARG 451 HH21 ARG 451 -5.470 -4.809 -7.428 178 HH22 ARG 451 HH22 ARG 451 -5.548 -3.385 -8.436 179 H THR 452 HN THR 452 -6.272 -7.700 -3.871 180 HA THR 452 HA THR 452 -6.864 -10.550 -4.362 181 HB THR 452 HB THR 452 -5.274 -10.515 -6.196 182 HG1 THR 452 HG1 THR 452 -4.895 -7.796 -6.309 183 HG21 THR 452 HG21 THR 452 -6.417 -9.007 -7.749 184 HG22 THR 452 HG22 THR 452 -7.142 -8.144 -6.390 185 HG23 THR 452 HG23 THR 452 -7.585 -9.824 -6.707 186 H GLU 453 HN GLU 453 -5.387 -8.653 -2.221 187 HA GLU 453 HA GLU 453 -3.724 -8.882 -0.688 188 HB2 GLU 453 HB2 GLU 453 -3.444 -11.654 -1.859 189 HB3 GLU 453 HB1 GLU 453 -2.649 -11.096 -0.394 190 HG2 GLU 453 HG2 GLU 453 -4.832 -10.741 0.647 191 HG3 GLU 453 HG1 GLU 453 -5.617 -11.330 -0.819 192 H GLU 454 HN GLU 454 -3.230 -7.710 -3.227 193 HA GLU 454 HA GLU 454 -0.642 -8.738 -4.109 194 HB2 GLU 454 HB2 GLU 454 -0.865 -7.124 -5.966 195 HB3 GLU 454 HB1 GLU 454 -2.249 -8.198 -5.852 196 HG2 GLU 454 HG2 GLU 454 -3.400 -6.342 -4.570 197 HG3 GLU 454 HG1 GLU 454 -2.073 -5.305 -5.085 198 H SER 455 HN SER 455 1.248 -7.866 -3.570 199 HA SER 455 HA SER 455 1.205 -5.347 -2.055 200 HB2 SER 455 HB2 SER 455 3.332 -6.296 -1.003 201 HB3 SER 455 HB1 SER 455 1.818 -7.089 -0.562 202 HG SER 455 HG SER 455 3.794 -7.971 -2.393 203 H THR 456 HN THR 456 2.286 -3.687 -2.871 204 HA THR 456 HA THR 456 4.636 -4.154 -4.533 205 HB THR 456 HB THR 456 2.776 -3.987 -6.148 206 HG1 THR 456 HG1 THR 456 4.574 -3.178 -7.051 207 HG21 THR 456 HG21 THR 456 2.350 -1.251 -4.943 208 HG22 THR 456 HG22 THR 456 1.231 -2.612 -4.876 209 HG23 THR 456 HG23 THR 456 1.589 -1.844 -6.420 210 H TRP 457 HN TRP 457 6.068 -2.376 -4.604 211 HA TRP 457 HA TRP 457 5.854 -0.599 -2.339 212 HB2 TRP 457 HB2 TRP 457 7.980 -0.767 -4.488 213 HB3 TRP 457 HB1 TRP 457 8.092 0.176 -3.007 214 HD1 TRP 457 HD1 TRP 457 8.360 -3.409 -4.300 215 HE1 TRP 457 HE1 TRP 457 9.370 -4.884 -2.442 216 HE3 TRP 457 HE3 TRP 457 8.240 -0.046 -0.461 217 HZ2 TRP 457 HZ2 TRP 457 10.012 -4.641 0.307 218 HZ3 TRP 457 HZ3 TRP 457 9.047 -0.749 1.748 219 HH2 TRP 457 HH2 TRP 457 9.921 -2.984 2.126 220 H GLU 458 HN GLU 458 4.566 -0.569 -5.329 221 HA GLU 458 HA GLU 458 5.014 2.182 -6.056 222 HB2 GLU 458 HB2 GLU 458 4.597 0.240 -7.649 223 HB3 GLU 458 HB1 GLU 458 2.918 0.298 -7.135 224 HG2 GLU 458 HG2 GLU 458 2.631 2.472 -8.048 225 HG3 GLU 458 HG1 GLU 458 4.362 2.639 -8.346 226 H LYS 459 HN LYS 459 3.829 3.887 -5.440 227 HA LYS 459 HA LYS 459 2.004 3.667 -3.314 228 HB2 LYS 459 HB2 LYS 459 3.510 5.622 -3.903 229 HB3 LYS 459 HB1 LYS 459 2.314 6.063 -5.112 230 HG2 LYS 459 HG2 LYS 459 1.055 7.068 -3.590 231 HG3 LYS 459 HG1 LYS 459 1.068 5.643 -2.545 232 HD2 LYS 459 HD2 LYS 459 3.190 6.309 -1.602 233 HD3 LYS 459 HD1 LYS 459 3.293 7.674 -2.713 234 HE2 LYS 459 HE2 LYS 459 1.126 7.304 -0.650 235 HE3 LYS 459 HE1 LYS 459 2.569 8.289 -0.413 236 HZ1 LYS 459 HZ1 LYS 459 1.846 9.557 -2.436 237 HZ2 LYS 459 HZ2 LYS 459 0.850 9.733 -1.082 238 HZ3 LYS 459 HZ3 LYS 459 0.366 8.733 -2.352 239 HA PRO 460 HA PRO 460 -1.572 2.443 -5.604 240 HB2 PRO 460 HB2 PRO 460 -3.123 3.275 -3.261 241 HB3 PRO 460 HB1 PRO 460 -2.919 1.670 -3.959 242 HG2 PRO 460 HG2 PRO 460 -1.801 2.362 -1.614 243 HG3 PRO 460 HG1 PRO 460 -1.027 1.229 -2.736 244 HD2 PRO 460 HD2 PRO 460 -0.428 4.112 -2.235 245 HD3 PRO 460 HD1 PRO 460 0.676 2.756 -2.533 246 H GLN 461 HN GLN 461 -3.497 3.211 -6.492 247 HA GLN 461 HA GLN 461 -3.538 5.912 -7.275 248 HB2 GLN 461 HB2 GLN 461 -4.553 3.981 -8.511 249 HB3 GLN 461 HB1 GLN 461 -5.846 3.968 -7.331 250 HG2 GLN 461 HG2 GLN 461 -6.305 6.357 -7.956 251 HG3 GLN 461 HG1 GLN 461 -5.190 6.135 -9.302 252 HE21 GLN 461 HE21 GLN 461 -6.835 6.525 -10.794 253 HE22 GLN 461 HE22 GLN 461 -8.058 5.341 -11.138 254 H GLU 462 HN GLU 462 -5.325 4.125 -4.853 255 HA GLU 462 HA GLU 462 -7.001 6.362 -4.188 256 HB2 GLU 462 HB2 GLU 462 -7.760 4.817 -2.311 257 HB3 GLU 462 HB1 GLU 462 -8.064 4.289 -3.955 258 HG2 GLU 462 HG2 GLU 462 -7.323 2.368 -2.946 259 HG3 GLU 462 HG1 GLU 462 -5.845 2.984 -3.681 260 H LEU 463 HN LEU 463 -3.870 5.903 -3.632 261 HA LEU 463 HA LEU 463 -3.936 7.439 -1.130 262 HB2 LEU 463 HB2 LEU 463 -3.343 4.950 -0.877 263 HB3 LEU 463 HB1 LEU 463 -1.856 5.339 -1.719 264 HG LEU 463 HG LEU 463 -1.325 6.978 0.087 265 HD11 LEU 463 HD11 LEU 463 -2.576 6.823 2.189 266 HD12 LEU 463 HD12 LEU 463 -3.730 5.736 1.415 267 HD13 LEU 463 HD13 LEU 463 -3.587 7.406 0.866 268 HD21 LEU 463 HD21 LEU 463 -0.704 5.283 1.739 269 HD22 LEU 463 HD22 LEU 463 -0.372 4.736 0.097 270 HD23 LEU 463 HD23 LEU 463 -1.784 4.129 0.961 271 H LYS 464 HN LYS 464 -3.543 7.963 -4.097 272 HA LYS 464 HA LYS 464 -0.794 8.456 -4.559 273 HB2 LYS 464 HB2 LYS 464 -1.615 9.781 -6.528 274 HB3 LYS 464 HB1 LYS 464 -2.167 8.114 -6.459 275 HG2 LYS 464 HG2 LYS 464 -4.341 8.723 -5.920 276 HG3 LYS 464 HG1 LYS 464 -3.859 10.330 -5.374 277 HD2 LYS 464 HD2 LYS 464 -3.775 9.351 -8.227 278 HD3 LYS 464 HD1 LYS 464 -5.023 10.394 -7.537 279 HE2 LYS 464 HE2 LYS 464 -2.090 11.023 -7.849 280 HE3 LYS 464 HE1 LYS 464 -3.432 11.754 -8.728 281 HZ1 LYS 464 HZ1 LYS 464 -2.654 13.190 -6.953 282 HZ2 LYS 464 HZ2 LYS 464 -2.952 11.981 -5.800 283 HZ3 LYS 464 HZ3 LYS 464 -4.244 12.685 -6.652 Start of MODEL 19 1 H1 GLY 428 HT1 GLY 428 -21.092 8.204 12.507 2 H2 GLY 428 HT2 GLY 428 -22.725 7.974 12.115 3 H3 GLY 428 HT3 GLY 428 -21.819 9.156 11.305 4 HA2 GLY 428 HA1 GLY 428 -21.476 6.213 11.134 5 HA3 GLY 428 HA2 GLY 428 -22.073 7.277 9.864 6 H ALA 429 HN ALA 429 -19.587 5.464 10.389 7 HA ALA 429 HA ALA 429 -17.621 7.446 9.445 8 HB1 ALA 429 HB1 ALA 429 -15.870 6.273 10.663 9 HB2 ALA 429 HB2 ALA 429 -17.054 5.127 11.291 10 HB3 ALA 429 HB3 ALA 429 -17.131 6.825 11.767 11 H THR 430 HN THR 430 -17.643 6.985 7.321 12 HA THR 430 HA THR 430 -17.575 4.241 6.395 13 HB THR 430 HB THR 430 -17.363 6.747 4.718 14 HG1 THR 430 HG1 THR 430 -19.634 6.648 4.576 15 HG21 THR 430 HG21 THR 430 -16.798 4.676 3.558 16 HG22 THR 430 HG22 THR 430 -18.340 5.302 2.975 17 HG23 THR 430 HG23 THR 430 -18.309 3.944 4.098 18 H ALA 431 HN ALA 431 -15.545 3.534 7.158 19 HA ALA 431 HA ALA 431 -13.213 4.853 5.959 20 HB1 ALA 431 HB1 ALA 431 -13.135 4.549 8.389 21 HB2 ALA 431 HB2 ALA 431 -11.858 3.648 7.573 22 HB3 ALA 431 HB3 ALA 431 -13.288 2.805 8.170 23 H VAL 432 HN VAL 432 -13.393 4.051 3.896 24 HA VAL 432 HA VAL 432 -12.923 1.156 3.619 25 HB VAL 432 HB VAL 432 -14.316 2.952 1.617 26 HG11 VAL 432 HG11 VAL 432 -13.853 -0.030 1.614 27 HG12 VAL 432 HG12 VAL 432 -13.068 1.146 0.560 28 HG13 VAL 432 HG13 VAL 432 -14.804 0.864 0.428 29 HG21 VAL 432 HG21 VAL 432 -15.705 2.546 3.588 30 HG22 VAL 432 HG22 VAL 432 -15.461 0.809 3.407 31 HG23 VAL 432 HG23 VAL 432 -16.342 1.708 2.172 32 H SER 433 HN SER 433 -10.790 1.028 3.374 33 HA SER 433 HA SER 433 -9.574 2.568 1.184 34 HB2 SER 433 HB2 SER 433 -7.421 2.379 2.481 35 HB3 SER 433 HB1 SER 433 -8.640 3.391 3.256 36 HG SER 433 HG SER 433 -8.245 0.648 3.852 37 H GLU 434 HN GLU 434 -8.761 1.333 -0.414 38 HA GLU 434 HA GLU 434 -9.125 -1.505 -0.209 39 HB2 GLU 434 HB2 GLU 434 -9.561 -0.148 -2.273 40 HB3 GLU 434 HB1 GLU 434 -7.835 0.048 -2.449 41 HG2 GLU 434 HG2 GLU 434 -7.514 -2.197 -2.939 42 HG3 GLU 434 HG1 GLU 434 -9.093 -2.660 -2.314 43 H TRP 435 HN TRP 435 -6.480 0.665 0.200 44 HA TRP 435 HA TRP 435 -4.650 -1.631 0.242 45 HB2 TRP 435 HB2 TRP 435 -3.823 1.208 -0.300 46 HB3 TRP 435 HB1 TRP 435 -2.826 -0.251 -0.328 47 HD1 TRP 435 HD1 TRP 435 -5.897 1.188 -2.238 48 HE1 TRP 435 HE1 TRP 435 -5.719 0.481 -4.693 49 HE3 TRP 435 HE3 TRP 435 -1.688 -1.682 -1.915 50 HZ2 TRP 435 HZ2 TRP 435 -4.007 -1.118 -6.292 51 HZ3 TRP 435 HZ3 TRP 435 -0.848 -2.771 -3.947 52 HH2 TRP 435 HH2 TRP 435 -1.982 -2.504 -6.094 53 H THR 436 HN THR 436 -3.100 -1.730 1.713 54 HA THR 436 HA THR 436 -3.207 0.104 4.009 55 HB THR 436 HB THR 436 -2.943 -2.884 3.951 56 HG1 THR 436 HG1 THR 436 -5.093 -1.164 4.271 57 HG21 THR 436 HG21 THR 436 -3.082 -0.999 6.314 58 HG22 THR 436 HG22 THR 436 -1.670 -1.926 5.805 59 HG23 THR 436 HG23 THR 436 -3.099 -2.760 6.415 60 H GLU 437 HN GLU 437 -1.106 0.618 4.841 61 HA GLU 437 HA GLU 437 1.099 -0.627 3.341 62 HB2 GLU 437 HB2 GLU 437 2.310 1.411 3.339 63 HB3 GLU 437 HB1 GLU 437 0.683 1.777 2.803 64 HG2 GLU 437 HG2 GLU 437 1.723 2.265 5.566 65 HG3 GLU 437 HG1 GLU 437 1.653 3.472 4.296 66 H TYR 438 HN TYR 438 2.669 -1.577 4.393 67 HA TYR 438 HA TYR 438 2.874 -1.204 7.314 68 HB2 TYR 438 HB2 TYR 438 3.445 -3.717 5.731 69 HB3 TYR 438 HB1 TYR 438 3.639 -3.534 7.466 70 HD1 TYR 438 HD1 TYR 438 1.639 -3.344 8.917 71 HD2 TYR 438 HD2 TYR 438 1.316 -4.171 4.758 72 HE1 TYR 438 HE1 TYR 438 -0.657 -4.158 9.264 73 HE2 TYR 438 HE2 TYR 438 -0.981 -4.986 5.088 74 HH TYR 438 HH TYR 438 -2.686 -4.521 8.050 75 H LYS 439 HN LYS 439 4.869 -0.648 8.052 76 HA LYS 439 HA LYS 439 7.024 -0.436 6.107 77 HB2 LYS 439 HB2 LYS 439 6.444 1.432 7.728 78 HB3 LYS 439 HB1 LYS 439 7.122 0.420 8.994 79 HG2 LYS 439 HG2 LYS 439 8.906 1.777 8.471 80 HG3 LYS 439 HG1 LYS 439 9.230 0.365 7.471 81 HD2 LYS 439 HD2 LYS 439 9.646 2.252 6.062 82 HD3 LYS 439 HD1 LYS 439 8.136 1.583 5.518 83 HE2 LYS 439 HE2 LYS 439 7.976 4.013 5.682 84 HE3 LYS 439 HE1 LYS 439 6.884 3.262 6.845 85 HZ1 LYS 439 HZ1 LYS 439 8.470 3.707 8.596 86 HZ2 LYS 439 HZ2 LYS 439 8.078 5.143 7.795 87 HZ3 LYS 439 HZ3 LYS 439 9.563 4.385 7.487 88 H THR 440 HN THR 440 8.502 -1.884 5.867 89 HA THR 440 HA THR 440 8.706 -4.117 7.712 90 HB THR 440 HB THR 440 10.366 -4.893 5.842 91 HG1 THR 440 HG1 THR 440 10.609 -3.279 4.455 92 HG21 THR 440 HG21 THR 440 8.170 -5.903 6.254 93 HG22 THR 440 HG22 THR 440 8.511 -5.784 4.527 94 HG23 THR 440 HG23 THR 440 7.409 -4.638 5.288 95 H ALA 441 HN ALA 441 10.766 -4.847 8.508 96 HA ALA 441 HA ALA 441 12.054 -2.884 9.972 97 HB1 ALA 441 HB1 ALA 441 13.569 -4.591 10.697 98 HB2 ALA 441 HB2 ALA 441 13.172 -5.591 9.301 99 HB3 ALA 441 HB3 ALA 441 11.953 -5.279 10.536 100 H ASP 442 HN ASP 442 12.673 -3.599 6.681 101 HA ASP 442 HA ASP 442 15.406 -2.685 6.674 102 HB2 ASP 442 HB2 ASP 442 15.285 -2.764 4.278 103 HB3 ASP 442 HB1 ASP 442 14.446 -4.185 4.895 104 H GLY 443 HN GLY 443 12.537 -1.204 7.244 105 HA2 GLY 443 HA2 GLY 443 12.401 1.024 7.925 106 HA3 GLY 443 HA1 GLY 443 13.822 1.387 6.969 107 H LYS 444 HN LYS 444 11.195 -0.335 5.374 108 HA LYS 444 HA LYS 444 9.926 2.208 4.668 109 HB2 LYS 444 HB2 LYS 444 10.223 0.378 2.595 110 HB3 LYS 444 HB1 LYS 444 10.043 2.070 2.490 111 HG2 LYS 444 HG2 LYS 444 12.418 2.337 3.154 112 HG3 LYS 444 HG1 LYS 444 12.593 0.581 3.111 113 HD2 LYS 444 HD2 LYS 444 11.784 2.291 0.761 114 HD3 LYS 444 HD1 LYS 444 13.420 1.705 1.060 115 HE2 LYS 444 HE2 LYS 444 11.028 -0.103 0.758 116 HE3 LYS 444 HE1 LYS 444 12.076 0.361 -0.583 117 HZ1 LYS 444 HZ1 LYS 444 12.917 -1.114 1.863 118 HZ2 LYS 444 HZ2 LYS 444 13.948 -0.630 0.605 119 HZ3 LYS 444 HZ3 LYS 444 12.735 -1.770 0.308 120 H THR 445 HN THR 445 8.047 1.887 3.167 121 HA THR 445 HA THR 445 6.381 -0.233 4.288 122 HB THR 445 HB THR 445 4.574 1.314 3.198 123 HG1 THR 445 HG1 THR 445 5.246 3.465 3.076 124 HG21 THR 445 HG21 THR 445 6.059 2.085 5.707 125 HG22 THR 445 HG22 THR 445 4.740 0.922 5.593 126 HG23 THR 445 HG23 THR 445 4.442 2.629 5.270 127 H TYR 446 HN TYR 446 5.180 -1.550 3.131 128 HA TYR 446 HA TYR 446 5.327 -1.370 0.199 129 HB2 TYR 446 HB2 TYR 446 5.251 -3.773 0.061 130 HB3 TYR 446 HB1 TYR 446 6.541 -3.347 1.167 131 HD1 TYR 446 HD1 TYR 446 6.290 -3.745 3.588 132 HD2 TYR 446 HD2 TYR 446 3.316 -5.006 0.818 133 HE1 TYR 446 HE1 TYR 446 5.326 -5.220 5.302 134 HE2 TYR 446 HE2 TYR 446 2.342 -6.482 2.527 135 HH TYR 446 HH TYR 446 3.138 -6.281 5.804 136 H TYR 447 HN TYR 447 3.371 -1.700 -0.912 137 HA TYR 447 HA TYR 447 1.077 -1.116 0.808 138 HB2 TYR 447 HB2 TYR 447 1.447 -0.637 -2.154 139 HB3 TYR 447 HB1 TYR 447 0.047 -0.150 -1.198 140 HD1 TYR 447 HD1 TYR 447 0.522 1.340 0.847 141 HD2 TYR 447 HD2 TYR 447 3.239 0.857 -2.380 142 HE1 TYR 447 HE1 TYR 447 1.649 3.420 1.516 143 HE2 TYR 447 HE2 TYR 447 4.373 2.947 -1.750 144 HH TYR 447 HH TYR 447 3.808 4.528 1.233 145 H TYR 448 HN TYR 448 -0.505 -2.439 1.068 146 HA TYR 448 HA TYR 448 -0.608 -4.881 -0.564 147 HB2 TYR 448 HB2 TYR 448 -0.041 -5.377 1.699 148 HB3 TYR 448 HB1 TYR 448 -1.298 -4.322 2.322 149 HD1 TYR 448 HD1 TYR 448 -0.635 -7.572 0.703 150 HD2 TYR 448 HD2 TYR 448 -3.529 -5.102 2.606 151 HE1 TYR 448 HE1 TYR 448 -2.140 -9.503 0.916 152 HE2 TYR 448 HE2 TYR 448 -5.042 -7.025 2.817 153 HH TYR 448 HH TYR 448 -4.003 -10.236 2.259 154 H ASN 449 HN ASN 449 -2.256 -5.015 -1.903 155 HA ASN 449 HA ASN 449 -4.682 -3.442 -1.469 156 HB2 ASN 449 HB2 ASN 449 -3.751 -3.527 -3.741 157 HB3 ASN 449 HB1 ASN 449 -3.904 -5.278 -3.745 158 HD21 ASN 449 HD21 ASN 449 -5.606 -2.257 -3.969 159 HD22 ASN 449 HD22 ASN 449 -7.086 -2.919 -4.566 160 H ASN 450 HN ASN 450 -6.510 -4.246 -0.682 161 HA ASN 450 HA ASN 450 -6.368 -6.852 0.526 162 HB2 ASN 450 HB2 ASN 450 -8.405 -4.640 0.639 163 HB3 ASN 450 HB1 ASN 450 -8.656 -6.188 1.435 164 HD21 ASN 450 HD21 ASN 450 -6.809 -3.241 1.397 165 HD22 ASN 450 HD22 ASN 450 -6.105 -3.431 2.969 166 H ARG 451 HN ARG 451 -7.365 -5.945 -2.531 167 HA ARG 451 HA ARG 451 -9.529 -7.911 -2.645 168 HB2 ARG 451 HB2 ARG 451 -8.347 -6.360 -4.952 169 HB3 ARG 451 HB1 ARG 451 -9.868 -7.235 -4.933 170 HG2 ARG 451 HG2 ARG 451 -10.646 -5.601 -3.180 171 HG3 ARG 451 HG1 ARG 451 -9.196 -4.661 -3.543 172 HD2 ARG 451 HD2 ARG 451 -11.513 -5.312 -5.346 173 HD3 ARG 451 HD1 ARG 451 -10.908 -3.727 -4.867 174 HE ARG 451 HE ARG 451 -9.151 -5.439 -6.466 175 HH11 ARG 451 HH11 ARG 451 -11.186 -2.600 -6.255 176 HH12 ARG 451 HH12 ARG 451 -10.719 -1.985 -7.811 177 HH21 ARG 451 HH21 ARG 451 -8.509 -4.622 -8.491 178 HH22 ARG 451 HH22 ARG 451 -9.184 -3.133 -9.076 179 H THR 452 HN THR 452 -6.445 -7.291 -4.297 180 HA THR 452 HA THR 452 -6.371 -10.011 -5.313 181 HB THR 452 HB THR 452 -4.100 -9.076 -6.219 182 HG1 THR 452 HG1 THR 452 -4.120 -6.774 -6.334 183 HG21 THR 452 HG21 THR 452 -6.082 -9.531 -7.603 184 HG22 THR 452 HG22 THR 452 -5.258 -8.061 -8.121 185 HG23 THR 452 HG23 THR 452 -6.741 -7.955 -7.171 186 H GLU 453 HN GLU 453 -5.419 -8.439 -2.521 187 HA GLU 453 HA GLU 453 -4.039 -8.907 -0.783 188 HB2 GLU 453 HB2 GLU 453 -3.891 -11.633 -2.094 189 HB3 GLU 453 HB1 GLU 453 -3.310 -11.256 -0.476 190 HG2 GLU 453 HG2 GLU 453 -5.601 -10.616 0.162 191 HG3 GLU 453 HG1 GLU 453 -6.157 -11.105 -1.437 192 H GLU 454 HN GLU 454 -3.006 -7.636 -3.056 193 HA GLU 454 HA GLU 454 -0.445 -8.944 -3.626 194 HB2 GLU 454 HB2 GLU 454 -0.209 -7.402 -5.471 195 HB3 GLU 454 HB1 GLU 454 -1.805 -8.124 -5.530 196 HG2 GLU 454 HG2 GLU 454 -2.774 -6.105 -4.598 197 HG3 GLU 454 HG1 GLU 454 -1.171 -5.379 -4.488 198 H SER 455 HN SER 455 1.388 -8.341 -2.807 199 HA SER 455 HA SER 455 1.555 -5.806 -1.364 200 HB2 SER 455 HB2 SER 455 3.716 -6.840 -0.502 201 HB3 SER 455 HB1 SER 455 2.233 -7.639 0.001 202 HG SER 455 HG SER 455 4.270 -8.524 -1.662 203 H THR 456 HN THR 456 2.179 -4.188 -2.656 204 HA THR 456 HA THR 456 4.461 -4.664 -4.449 205 HB THR 456 HB THR 456 2.428 -4.670 -5.825 206 HG1 THR 456 HG1 THR 456 3.069 -2.903 -7.225 207 HG21 THR 456 HG21 THR 456 1.057 -2.656 -6.041 208 HG22 THR 456 HG22 THR 456 1.988 -1.880 -4.759 209 HG23 THR 456 HG23 THR 456 1.002 -3.296 -4.401 210 H TRP 457 HN TRP 457 5.791 -2.867 -4.838 211 HA TRP 457 HA TRP 457 5.753 -0.941 -2.665 212 HB2 TRP 457 HB2 TRP 457 7.806 -1.419 -4.839 213 HB3 TRP 457 HB1 TRP 457 8.006 -0.333 -3.467 214 HD1 TRP 457 HD1 TRP 457 8.040 -4.039 -4.380 215 HE1 TRP 457 HE1 TRP 457 8.988 -5.378 -2.391 216 HE3 TRP 457 HE3 TRP 457 8.197 -0.296 -0.921 217 HZ2 TRP 457 HZ2 TRP 457 9.700 -4.882 0.311 218 HZ3 TRP 457 HZ3 TRP 457 9.003 -0.814 1.345 219 HH2 TRP 457 HH2 TRP 457 9.744 -3.037 1.947 220 H GLU 458 HN GLU 458 4.323 -1.104 -5.570 221 HA GLU 458 HA GLU 458 4.749 1.621 -6.440 222 HB2 GLU 458 HB2 GLU 458 4.284 -0.235 -8.036 223 HB3 GLU 458 HB1 GLU 458 2.677 -0.397 -7.342 224 HG2 GLU 458 HG2 GLU 458 2.094 1.824 -8.077 225 HG3 GLU 458 HG1 GLU 458 3.732 2.084 -8.677 226 H LYS 459 HN LYS 459 3.561 3.356 -5.838 227 HA LYS 459 HA LYS 459 1.902 2.973 -3.524 228 HB2 LYS 459 HB2 LYS 459 3.585 4.826 -3.816 229 HB3 LYS 459 HB1 LYS 459 2.456 5.574 -4.940 230 HG2 LYS 459 HG2 LYS 459 0.816 5.838 -3.216 231 HG3 LYS 459 HG1 LYS 459 1.792 4.898 -2.087 232 HD2 LYS 459 HD2 LYS 459 3.558 6.625 -2.246 233 HD3 LYS 459 HD1 LYS 459 2.486 7.581 -3.269 234 HE2 LYS 459 HE2 LYS 459 0.846 7.675 -1.459 235 HE3 LYS 459 HE1 LYS 459 1.920 6.722 -0.434 236 HZ1 LYS 459 HZ1 LYS 459 2.082 9.078 0.059 237 HZ2 LYS 459 HZ2 LYS 459 2.518 9.412 -1.542 238 HZ3 LYS 459 HZ3 LYS 459 3.549 8.499 -0.556 239 HA PRO 460 HA PRO 460 -2.041 2.475 -5.560 240 HB2 PRO 460 HB2 PRO 460 -3.256 3.426 -3.164 241 HB3 PRO 460 HB1 PRO 460 -3.109 1.759 -3.720 242 HG2 PRO 460 HG2 PRO 460 -1.460 3.243 -1.773 243 HG3 PRO 460 HG1 PRO 460 -1.752 1.505 -1.908 244 HD2 PRO 460 HD2 PRO 460 0.598 2.616 -2.576 245 HD3 PRO 460 HD1 PRO 460 -0.064 1.220 -3.452 246 H GLN 461 HN GLN 461 -3.491 3.762 -6.506 247 HA GLN 461 HA GLN 461 -2.947 6.501 -6.875 248 HB2 GLN 461 HB2 GLN 461 -4.072 4.978 -8.491 249 HB3 GLN 461 HB1 GLN 461 -5.488 4.980 -7.468 250 HG2 GLN 461 HG2 GLN 461 -4.418 7.575 -8.452 251 HG3 GLN 461 HG1 GLN 461 -5.338 6.545 -9.548 252 HE21 GLN 461 HE21 GLN 461 -5.939 9.179 -8.350 253 HE22 GLN 461 HE22 GLN 461 -7.473 8.989 -7.572 254 H GLU 462 HN GLU 462 -5.290 4.774 -4.957 255 HA GLU 462 HA GLU 462 -6.757 7.100 -4.174 256 HB2 GLU 462 HB2 GLU 462 -8.011 5.588 -2.756 257 HB3 GLU 462 HB1 GLU 462 -7.761 4.857 -4.329 258 HG2 GLU 462 HG2 GLU 462 -5.830 3.615 -3.324 259 HG3 GLU 462 HG1 GLU 462 -6.368 4.215 -1.753 260 H LEU 463 HN LEU 463 -3.727 6.230 -3.268 261 HA LEU 463 HA LEU 463 -4.021 7.489 -0.635 262 HB2 LEU 463 HB2 LEU 463 -4.037 4.970 -0.474 263 HB3 LEU 463 HB1 LEU 463 -2.407 4.991 -1.103 264 HG LEU 463 HG LEU 463 -1.674 6.288 0.866 265 HD11 LEU 463 HD11 LEU 463 -4.488 5.824 1.845 266 HD12 LEU 463 HD12 LEU 463 -3.801 7.378 1.372 267 HD13 LEU 463 HD13 LEU 463 -3.162 6.525 2.777 268 HD21 LEU 463 HD21 LEU 463 -1.835 4.449 2.470 269 HD22 LEU 463 HD22 LEU 463 -1.473 3.862 0.847 270 HD23 LEU 463 HD23 LEU 463 -3.106 3.709 1.496 271 H LYS 464 HN LYS 464 -2.835 8.041 -3.435 272 HA LYS 464 HA LYS 464 -0.026 8.207 -3.085 273 HB2 LYS 464 HB2 LYS 464 -0.153 9.817 -5.038 274 HB3 LYS 464 HB1 LYS 464 -0.782 8.198 -5.316 275 HG2 LYS 464 HG2 LYS 464 -2.942 8.912 -5.487 276 HG3 LYS 464 HG1 LYS 464 -2.682 10.305 -4.437 277 HD2 LYS 464 HD2 LYS 464 -1.583 10.051 -7.234 278 HD3 LYS 464 HD1 LYS 464 -3.072 10.901 -6.817 279 HE2 LYS 464 HE2 LYS 464 -0.282 11.561 -5.883 280 HE3 LYS 464 HE1 LYS 464 -1.281 12.500 -6.993 281 HZ1 LYS 464 HZ1 LYS 464 -2.893 12.769 -5.135 282 HZ2 LYS 464 HZ2 LYS 464 -1.401 13.508 -4.852 283 HZ3 LYS 464 HZ3 LYS 464 -1.769 12.035 -4.095 Start of MODEL 20 1 H1 GLY 428 HT1 GLY 428 -12.122 14.885 11.668 2 H2 GLY 428 HT2 GLY 428 -13.189 14.657 10.371 3 H3 GLY 428 HT3 GLY 428 -11.836 15.664 10.190 4 HA2 GLY 428 HA1 GLY 428 -10.343 13.819 10.385 5 HA3 GLY 428 HA2 GLY 428 -11.696 12.751 10.724 6 H ALA 429 HN ALA 429 -10.577 11.639 8.862 7 HA ALA 429 HA ALA 429 -11.880 12.545 6.386 8 HB1 ALA 429 HB1 ALA 429 -9.473 12.947 6.213 9 HB2 ALA 429 HB2 ALA 429 -9.989 11.680 5.099 10 HB3 ALA 429 HB3 ALA 429 -9.157 11.255 6.594 11 H THR 430 HN THR 430 -13.565 11.186 6.316 12 HA THR 430 HA THR 430 -13.375 8.432 7.119 13 HB THR 430 HB THR 430 -15.623 9.686 5.540 14 HG1 THR 430 HG1 THR 430 -16.127 10.803 7.261 15 HG21 THR 430 HG21 THR 430 -15.550 7.410 7.527 16 HG22 THR 430 HG22 THR 430 -15.704 7.248 5.778 17 HG23 THR 430 HG23 THR 430 -16.989 8.016 6.709 18 H ALA 431 HN ALA 431 -11.503 8.099 5.608 19 HA ALA 431 HA ALA 431 -12.449 7.450 2.895 20 HB1 ALA 431 HB1 ALA 431 -10.144 7.736 2.143 21 HB2 ALA 431 HB2 ALA 431 -9.646 8.120 3.791 22 HB3 ALA 431 HB3 ALA 431 -10.739 9.199 2.926 23 H VAL 432 HN VAL 432 -12.893 5.338 2.822 24 HA VAL 432 HA VAL 432 -11.283 3.459 4.330 25 HB VAL 432 HB VAL 432 -13.643 3.001 4.283 26 HG11 VAL 432 HG11 VAL 432 -14.864 2.466 2.234 27 HG12 VAL 432 HG12 VAL 432 -13.434 2.857 1.279 28 HG13 VAL 432 HG13 VAL 432 -14.245 4.117 2.207 29 HG21 VAL 432 HG21 VAL 432 -12.168 1.015 2.560 30 HG22 VAL 432 HG22 VAL 432 -13.655 0.700 3.455 31 HG23 VAL 432 HG23 VAL 432 -12.165 1.072 4.322 32 H SER 433 HN SER 433 -9.340 3.062 3.547 33 HA SER 433 HA SER 433 -8.888 3.003 0.680 34 HB2 SER 433 HB2 SER 433 -6.470 2.690 1.450 35 HB3 SER 433 HB1 SER 433 -7.238 4.218 1.882 36 HG SER 433 HG SER 433 -6.367 2.154 3.486 37 H GLU 434 HN GLU 434 -8.631 1.202 -0.488 38 HA GLU 434 HA GLU 434 -9.144 -1.366 0.679 39 HB2 GLU 434 HB2 GLU 434 -9.833 -0.724 -1.624 40 HB3 GLU 434 HB1 GLU 434 -8.142 -0.674 -2.089 41 HG2 GLU 434 HG2 GLU 434 -9.068 -2.732 -2.821 42 HG3 GLU 434 HG1 GLU 434 -7.956 -3.065 -1.501 43 H TRP 435 HN TRP 435 -6.390 0.527 0.150 44 HA TRP 435 HA TRP 435 -4.608 -1.775 0.375 45 HB2 TRP 435 HB2 TRP 435 -3.886 1.100 -0.155 46 HB3 TRP 435 HB1 TRP 435 -2.786 -0.282 -0.099 47 HD1 TRP 435 HD1 TRP 435 -5.899 0.831 -2.179 48 HE1 TRP 435 HE1 TRP 435 -5.526 0.080 -4.614 49 HE3 TRP 435 HE3 TRP 435 -1.430 -1.597 -1.609 50 HZ2 TRP 435 HZ2 TRP 435 -3.595 -1.339 -6.089 51 HZ3 TRP 435 HZ3 TRP 435 -0.387 -2.621 -3.589 52 HH2 TRP 435 HH2 TRP 435 -1.450 -2.494 -5.784 53 H THR 436 HN THR 436 -3.058 -1.901 1.863 54 HA THR 436 HA THR 436 -3.242 -0.156 4.227 55 HB THR 436 HB THR 436 -2.833 -3.124 4.045 56 HG1 THR 436 HG1 THR 436 -5.060 -1.522 4.386 57 HG21 THR 436 HG21 THR 436 -1.608 -2.174 5.946 58 HG22 THR 436 HG22 THR 436 -2.991 -3.108 6.517 59 HG23 THR 436 HG23 THR 436 -3.069 -1.346 6.485 60 H GLU 437 HN GLU 437 -1.213 0.458 5.084 61 HA GLU 437 HA GLU 437 1.101 -0.528 3.552 62 HB2 GLU 437 HB2 GLU 437 2.165 1.581 3.811 63 HB3 GLU 437 HB1 GLU 437 0.529 1.891 3.266 64 HG2 GLU 437 HG2 GLU 437 1.369 2.077 6.129 65 HG3 GLU 437 HG1 GLU 437 1.429 3.434 5.017 66 H TYR 438 HN TYR 438 2.693 -1.502 4.550 67 HA TYR 438 HA TYR 438 2.899 -1.312 7.488 68 HB2 TYR 438 HB2 TYR 438 3.432 -3.734 5.748 69 HB3 TYR 438 HB1 TYR 438 3.763 -3.642 7.471 70 HD1 TYR 438 HD1 TYR 438 1.781 -3.302 9.045 71 HD2 TYR 438 HD2 TYR 438 1.333 -4.414 4.965 72 HE1 TYR 438 HE1 TYR 438 -0.471 -4.162 9.534 73 HE2 TYR 438 HE2 TYR 438 -0.921 -5.272 5.436 74 HH TYR 438 HH TYR 438 -2.245 -6.066 7.273 75 H LYS 439 HN LYS 439 4.917 -0.856 8.271 76 HA LYS 439 HA LYS 439 7.043 -0.432 6.319 77 HB2 LYS 439 HB2 LYS 439 6.459 1.247 8.163 78 HB3 LYS 439 HB1 LYS 439 7.210 0.118 9.280 79 HG2 LYS 439 HG2 LYS 439 8.917 1.616 8.834 80 HG3 LYS 439 HG1 LYS 439 9.268 0.289 7.730 81 HD2 LYS 439 HD2 LYS 439 9.573 2.290 6.455 82 HD3 LYS 439 HD1 LYS 439 8.078 1.586 5.900 83 HE2 LYS 439 HE2 LYS 439 7.752 3.962 6.204 84 HE3 LYS 439 HE1 LYS 439 6.813 3.118 7.432 85 HZ1 LYS 439 HZ1 LYS 439 8.495 3.619 9.060 86 HZ2 LYS 439 HZ2 LYS 439 8.014 5.055 8.304 87 HZ3 LYS 439 HZ3 LYS 439 9.485 4.333 7.882 88 H THR 440 HN THR 440 8.421 -1.952 5.878 89 HA THR 440 HA THR 440 8.539 -4.332 7.536 90 HB THR 440 HB THR 440 10.026 -5.103 5.528 91 HG1 THR 440 HG1 THR 440 10.253 -3.102 4.481 92 HG21 THR 440 HG21 THR 440 8.031 -5.775 4.297 93 HG22 THR 440 HG22 THR 440 7.073 -4.594 5.190 94 HG23 THR 440 HG23 THR 440 7.792 -5.968 6.034 95 H ALA 441 HN ALA 441 10.500 -5.297 8.169 96 HA ALA 441 HA ALA 441 12.135 -3.825 9.730 97 HB1 ALA 441 HB1 ALA 441 11.981 -6.265 9.746 98 HB2 ALA 441 HB2 ALA 441 13.651 -5.698 9.794 99 HB3 ALA 441 HB3 ALA 441 12.975 -6.327 8.291 100 H ASP 442 HN ASP 442 12.540 -4.107 6.265 101 HA ASP 442 HA ASP 442 15.240 -3.252 6.090 102 HB2 ASP 442 HB2 ASP 442 14.878 -3.009 3.791 103 HB3 ASP 442 HB1 ASP 442 13.699 -4.238 4.239 104 H GLY 443 HN GLY 443 12.474 -1.691 7.112 105 HA2 GLY 443 HA2 GLY 443 12.462 0.391 8.151 106 HA3 GLY 443 HA1 GLY 443 13.911 0.825 7.265 107 H LYS 444 HN LYS 444 11.160 -0.482 5.463 108 HA LYS 444 HA LYS 444 9.971 2.181 5.249 109 HB2 LYS 444 HB2 LYS 444 10.172 0.812 2.821 110 HB3 LYS 444 HB1 LYS 444 10.073 2.492 3.066 111 HG2 LYS 444 HG2 LYS 444 12.466 2.509 3.740 112 HG3 LYS 444 HG1 LYS 444 12.566 0.814 3.261 113 HD2 LYS 444 HD2 LYS 444 11.762 3.073 1.428 114 HD3 LYS 444 HD1 LYS 444 13.383 2.384 1.520 115 HE2 LYS 444 HE2 LYS 444 10.896 0.826 0.829 116 HE3 LYS 444 HE1 LYS 444 12.013 1.498 -0.357 117 HZ1 LYS 444 HZ1 LYS 444 13.768 0.114 0.565 118 HZ2 LYS 444 HZ2 LYS 444 12.464 -0.838 0.065 119 HZ3 LYS 444 HZ3 LYS 444 12.700 -0.529 1.717 120 H THR 445 HN THR 445 8.100 2.109 3.639 121 HA THR 445 HA THR 445 6.384 -0.086 4.521 122 HB THR 445 HB THR 445 4.602 1.565 3.540 123 HG1 THR 445 HG1 THR 445 6.635 2.950 2.941 124 HG21 THR 445 HG21 THR 445 6.030 2.077 6.147 125 HG22 THR 445 HG22 THR 445 4.717 0.928 5.882 126 HG23 THR 445 HG23 THR 445 4.418 2.660 5.730 127 H TYR 446 HN TYR 446 5.189 -1.288 3.242 128 HA TYR 446 HA TYR 446 5.320 -0.836 0.339 129 HB2 TYR 446 HB2 TYR 446 5.498 -3.167 -0.065 130 HB3 TYR 446 HB1 TYR 446 6.660 -2.833 1.205 131 HD1 TYR 446 HD1 TYR 446 5.962 -3.338 3.621 132 HD2 TYR 446 HD2 TYR 446 3.856 -4.811 0.233 133 HE1 TYR 446 HE1 TYR 446 4.946 -5.087 5.019 134 HE2 TYR 446 HE2 TYR 446 2.831 -6.560 1.621 135 HH TYR 446 HH TYR 446 2.917 -6.522 4.995 136 H TYR 447 HN TYR 447 3.368 -1.303 -0.782 137 HA TYR 447 HA TYR 447 1.072 -0.956 1.002 138 HB2 TYR 447 HB2 TYR 447 1.423 -0.271 -1.919 139 HB3 TYR 447 HB1 TYR 447 -0.042 0.022 -0.982 140 HD1 TYR 447 HD1 TYR 447 0.497 1.274 1.348 141 HD2 TYR 447 HD2 TYR 447 2.814 1.561 -2.200 142 HE1 TYR 447 HE1 TYR 447 1.407 3.415 2.141 143 HE2 TYR 447 HE2 TYR 447 3.728 3.714 -1.437 144 HH TYR 447 HH TYR 447 3.372 4.849 1.754 145 H TYR 448 HN TYR 448 -0.495 -2.356 1.144 146 HA TYR 448 HA TYR 448 -0.457 -4.697 -0.647 147 HB2 TYR 448 HB2 TYR 448 0.347 -5.247 1.565 148 HB3 TYR 448 HB1 TYR 448 -1.050 -4.491 2.313 149 HD1 TYR 448 HD2 TYR 448 0.086 -7.377 0.312 150 HD2 TYR 448 HD1 TYR 448 -3.081 -5.696 2.602 151 HE1 TYR 448 HE2 TYR 448 -1.046 -9.557 0.340 152 HE2 TYR 448 HE1 TYR 448 -4.218 -7.875 2.639 153 HH TYR 448 HH TYR 448 -4.277 -9.944 1.376 154 H ASN 449 HN ASN 449 -2.214 -4.961 -1.808 155 HA ASN 449 HA ASN 449 -4.687 -3.550 -1.143 156 HB2 ASN 449 HB2 ASN 449 -3.898 -3.486 -3.473 157 HB3 ASN 449 HB1 ASN 449 -3.970 -5.244 -3.549 158 HD21 ASN 449 HD21 ASN 449 -5.778 -2.300 -3.594 159 HD22 ASN 449 HD22 ASN 449 -7.294 -2.997 -4.038 160 H ASN 450 HN ASN 450 -6.427 -4.505 -0.270 161 HA ASN 450 HA ASN 450 -6.026 -7.116 0.848 162 HB2 ASN 450 HB2 ASN 450 -8.232 -5.082 1.118 163 HB3 ASN 450 HB1 ASN 450 -8.306 -6.662 1.894 164 HD21 ASN 450 HD21 ASN 450 -6.752 -3.554 1.846 165 HD22 ASN 450 HD22 ASN 450 -5.941 -3.716 3.366 166 H ARG 451 HN ARG 451 -7.563 -6.045 -2.010 167 HA ARG 451 HA ARG 451 -9.524 -8.174 -2.076 168 HB2 ARG 451 HB2 ARG 451 -8.611 -6.238 -4.212 169 HB3 ARG 451 HB1 ARG 451 -9.874 -7.437 -4.447 170 HG2 ARG 451 HG2 ARG 451 -11.197 -6.383 -2.685 171 HG3 ARG 451 HG1 ARG 451 -9.927 -5.174 -2.467 172 HD2 ARG 451 HD2 ARG 451 -11.602 -5.635 -4.932 173 HD3 ARG 451 HD1 ARG 451 -11.660 -4.243 -3.851 174 HE ARG 451 HE ARG 451 -9.388 -4.902 -5.625 175 HH11 ARG 451 HH11 ARG 451 -11.355 -2.597 -3.885 176 HH12 ARG 451 HH12 ARG 451 -10.500 -1.206 -4.488 177 HH21 ARG 451 HH21 ARG 451 -8.231 -3.099 -6.408 178 HH22 ARG 451 HH22 ARG 451 -8.717 -1.490 -5.938 179 H THR 452 HN THR 452 -6.763 -7.349 -4.150 180 HA THR 452 HA THR 452 -6.708 -10.044 -5.207 181 HB THR 452 HB THR 452 -4.730 -9.009 -6.519 182 HG1 THR 452 HG1 THR 452 -4.630 -6.771 -6.449 183 HG21 THR 452 HG21 THR 452 -6.959 -9.408 -7.478 184 HG22 THR 452 HG22 THR 452 -6.270 -7.894 -8.068 185 HG23 THR 452 HG23 THR 452 -7.517 -7.870 -6.818 186 H GLU 453 HN GLU 453 -5.439 -8.538 -2.550 187 HA GLU 453 HA GLU 453 -3.856 -9.052 -1.009 188 HB2 GLU 453 HB2 GLU 453 -3.636 -11.650 -2.543 189 HB3 GLU 453 HB1 GLU 453 -3.000 -11.353 -0.930 190 HG2 GLU 453 HG2 GLU 453 -5.290 -10.973 -0.120 191 HG3 GLU 453 HG1 GLU 453 -5.901 -11.345 -1.732 192 H GLU 454 HN GLU 454 -3.107 -7.525 -3.235 193 HA GLU 454 HA GLU 454 -0.525 -8.628 -4.100 194 HB2 GLU 454 HB2 GLU 454 -0.553 -6.935 -5.864 195 HB3 GLU 454 HB1 GLU 454 -2.020 -7.901 -5.893 196 HG2 GLU 454 HG2 GLU 454 -3.227 -6.095 -4.773 197 HG3 GLU 454 HG1 GLU 454 -1.754 -5.126 -4.754 198 H SER 455 HN SER 455 1.346 -7.852 -3.422 199 HA SER 455 HA SER 455 1.306 -5.380 -1.833 200 HB2 SER 455 HB2 SER 455 3.407 -6.411 -0.778 201 HB3 SER 455 HB1 SER 455 1.858 -7.154 -0.374 202 HG SER 455 HG SER 455 4.008 -8.262 -1.531 203 H THR 456 HN THR 456 2.302 -3.709 -2.720 204 HA THR 456 HA THR 456 4.702 -4.148 -4.329 205 HB THR 456 HB THR 456 2.902 -4.047 -5.977 206 HG1 THR 456 HG1 THR 456 4.546 -3.093 -6.945 207 HG21 THR 456 HG21 THR 456 1.254 -2.773 -4.690 208 HG22 THR 456 HG22 THR 456 1.552 -2.024 -6.258 209 HG23 THR 456 HG23 THR 456 2.269 -1.334 -4.803 210 H TRP 457 HN TRP 457 6.097 -2.330 -4.424 211 HA TRP 457 HA TRP 457 5.853 -0.575 -2.152 212 HB2 TRP 457 HB2 TRP 457 7.962 -0.719 -4.315 213 HB3 TRP 457 HB1 TRP 457 8.060 0.286 -2.873 214 HD1 TRP 457 HD1 TRP 457 8.406 -3.337 -4.024 215 HE1 TRP 457 HE1 TRP 457 9.483 -4.708 -2.126 216 HE3 TRP 457 HE3 TRP 457 8.256 0.172 -0.323 217 HZ2 TRP 457 HZ2 TRP 457 10.165 -4.336 0.599 218 HZ3 TRP 457 HZ3 TRP 457 9.116 -0.417 1.897 219 HH2 TRP 457 HH2 TRP 457 10.061 -2.601 2.352 220 H GLU 458 HN GLU 458 4.686 -0.514 -5.251 221 HA GLU 458 HA GLU 458 5.034 2.275 -5.827 222 HB2 GLU 458 HB2 GLU 458 4.724 0.537 -7.592 223 HB3 GLU 458 HB1 GLU 458 3.070 0.318 -7.035 224 HG2 GLU 458 HG2 GLU 458 3.170 1.749 -9.001 225 HG3 GLU 458 HG1 GLU 458 2.546 2.619 -7.599 226 H LYS 459 HN LYS 459 3.622 3.917 -5.491 227 HA LYS 459 HA LYS 459 1.869 3.637 -3.267 228 HB2 LYS 459 HB2 LYS 459 3.209 5.679 -3.778 229 HB3 LYS 459 HB1 LYS 459 2.147 5.987 -5.145 230 HG2 LYS 459 HG2 LYS 459 0.299 6.403 -3.746 231 HG3 LYS 459 HG1 LYS 459 1.126 5.740 -2.332 232 HD2 LYS 459 HD2 LYS 459 2.180 8.150 -3.793 233 HD3 LYS 459 HD1 LYS 459 0.948 8.297 -2.541 234 HE2 LYS 459 HE2 LYS 459 3.026 8.668 -1.478 235 HE3 LYS 459 HE1 LYS 459 2.513 7.051 -1.011 236 HZ1 LYS 459 HZ1 LYS 459 4.868 7.151 -1.570 237 HZ2 LYS 459 HZ2 LYS 459 4.496 7.670 -3.139 238 HZ3 LYS 459 HZ3 LYS 459 4.037 6.120 -2.626 239 HA PRO 460 HA PRO 460 -1.722 2.228 -5.391 240 HB2 PRO 460 HB2 PRO 460 -3.217 3.397 -3.134 241 HB3 PRO 460 HB1 PRO 460 -3.139 1.723 -3.683 242 HG2 PRO 460 HG2 PRO 460 -1.926 2.517 -1.430 243 HG3 PRO 460 HG1 PRO 460 -1.225 1.275 -2.482 244 HD2 PRO 460 HD2 PRO 460 -0.493 4.158 -2.201 245 HD3 PRO 460 HD1 PRO 460 0.556 2.743 -2.424 246 H GLN 461 HN GLN 461 -3.392 2.994 -6.603 247 HA GLN 461 HA GLN 461 -3.234 5.638 -7.545 248 HB2 GLN 461 HB2 GLN 461 -4.187 3.445 -8.589 249 HB3 GLN 461 HB1 GLN 461 -5.692 3.973 -7.868 250 HG2 GLN 461 HG2 GLN 461 -5.471 6.121 -9.086 251 HG3 GLN 461 HG1 GLN 461 -4.059 5.457 -9.908 252 HE21 GLN 461 HE21 GLN 461 -7.500 5.327 -9.562 253 HE22 GLN 461 HE22 GLN 461 -7.813 4.359 -10.966 254 H GLU 462 HN GLU 462 -5.053 4.194 -5.024 255 HA GLU 462 HA GLU 462 -6.779 6.545 -4.773 256 HB2 GLU 462 HB2 GLU 462 -8.001 5.174 -3.090 257 HB3 GLU 462 HB1 GLU 462 -7.962 4.468 -4.699 258 HG2 GLU 462 HG2 GLU 462 -6.056 3.044 -3.930 259 HG3 GLU 462 HG1 GLU 462 -6.355 3.647 -2.299 260 H LEU 463 HN LEU 463 -3.793 5.817 -3.771 261 HA LEU 463 HA LEU 463 -4.169 7.233 -1.210 262 HB2 LEU 463 HB2 LEU 463 -3.476 4.839 -0.962 263 HB3 LEU 463 HB1 LEU 463 -2.002 5.224 -1.830 264 HG LEU 463 HG LEU 463 -1.383 6.813 -0.035 265 HD11 LEU 463 HD11 LEU 463 -3.608 7.375 0.767 266 HD12 LEU 463 HD12 LEU 463 -2.613 6.753 2.083 267 HD13 LEU 463 HD13 LEU 463 -3.836 5.722 1.341 268 HD21 LEU 463 HD21 LEU 463 -0.839 5.121 1.644 269 HD22 LEU 463 HD22 LEU 463 -0.548 4.527 0.010 270 HD23 LEU 463 HD23 LEU 463 -1.984 4.009 0.894 271 H LYS 464 HN LYS 464 -3.178 7.581 -4.248 272 HA LYS 464 HA LYS 464 -0.628 8.720 -4.153 273 HB2 LYS 464 HB2 LYS 464 -1.381 9.938 -6.250 274 HB3 LYS 464 HB1 LYS 464 -1.489 8.183 -6.287 275 HG2 LYS 464 HG2 LYS 464 -3.741 8.186 -6.404 276 HG3 LYS 464 HG1 LYS 464 -3.902 9.620 -5.389 277 HD2 LYS 464 HD2 LYS 464 -2.932 9.664 -8.241 278 HD3 LYS 464 HD1 LYS 464 -4.605 9.954 -7.759 279 HE2 LYS 464 HE2 LYS 464 -2.188 11.566 -6.944 280 HE3 LYS 464 HE1 LYS 464 -3.456 12.065 -8.064 281 HZ1 LYS 464 HZ1 LYS 464 -5.045 11.860 -6.189 282 HZ2 LYS 464 HZ2 LYS 464 -3.880 13.064 -5.957 283 HZ3 LYS 464 HZ3 LYS 464 -3.737 11.580 -5.145
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