NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596050 | 2n4w | 25683 | 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 -1.151 11.492 6.924 2 H2 GLY 428 HT2 GLY 428 0.137 12.274 7.704 3 H3 GLY 428 HT3 GLY 428 -0.044 10.594 7.844 4 HA2 GLY 428 HA1 GLY 428 1.725 11.131 6.294 5 HA3 GLY 428 HA2 GLY 428 0.391 10.311 5.493 6 H ALA 429 HN ALA 429 -0.395 11.207 3.710 7 HA ALA 429 HA ALA 429 -0.979 12.711 2.116 8 HB1 ALA 429 HB1 ALA 429 -0.368 14.846 4.161 9 HB2 ALA 429 HB2 ALA 429 -1.932 14.062 3.931 10 HB3 ALA 429 HB3 ALA 429 -1.252 15.066 2.650 11 H THR 430 HN THR 430 1.898 11.944 2.911 12 HA THR 430 HA THR 430 3.165 13.319 0.742 13 HB THR 430 HB THR 430 3.424 14.977 2.595 14 HG1 THR 430 HG1 THR 430 5.779 15.105 2.378 15 HG21 THR 430 HG21 THR 430 4.951 14.458 4.452 16 HG22 THR 430 HG22 THR 430 5.043 12.785 3.899 17 HG23 THR 430 HG23 THR 430 3.512 13.438 4.483 18 H ALA 431 HN ALA 431 5.653 12.601 0.830 19 HA ALA 431 HA ALA 431 7.126 10.886 0.640 20 HB1 ALA 431 HB1 ALA 431 7.257 9.253 2.444 21 HB2 ALA 431 HB2 ALA 431 5.665 9.744 3.024 22 HB3 ALA 431 HB3 ALA 431 7.015 10.876 3.088 23 H VAL 432 HN VAL 432 4.747 10.835 -0.915 24 HA VAL 432 HA VAL 432 3.708 8.171 -1.002 25 HB VAL 432 HB VAL 432 3.545 10.274 -3.168 26 HG11 VAL 432 HG11 VAL 432 1.833 7.858 -2.584 27 HG12 VAL 432 HG12 VAL 432 2.963 8.038 -3.927 28 HG13 VAL 432 HG13 VAL 432 1.524 9.054 -3.843 29 HG21 VAL 432 HG21 VAL 432 1.661 9.761 -0.867 30 HG22 VAL 432 HG22 VAL 432 1.380 10.885 -2.197 31 HG23 VAL 432 HG23 VAL 432 2.700 11.171 -1.063 32 H SER 433 HN SER 433 5.630 6.995 -1.067 33 HA SER 433 HA SER 433 6.459 6.241 -3.687 34 HB2 SER 433 HB2 SER 433 7.905 8.241 -3.341 35 HB3 SER 433 HB1 SER 433 8.550 7.499 -1.879 36 HG SER 433 HG SER 433 8.651 6.035 -4.263 37 H GLU 434 HN GLU 434 6.690 6.092 -0.228 38 HA GLU 434 HA GLU 434 8.064 3.581 -0.132 39 HB2 GLU 434 HB2 GLU 434 8.209 5.291 1.659 40 HB3 GLU 434 HB1 GLU 434 6.510 5.026 2.022 41 HG2 GLU 434 HG2 GLU 434 8.022 3.880 3.578 42 HG3 GLU 434 HG1 GLU 434 6.951 2.775 2.716 43 H TRP 435 HN TRP 435 4.821 4.572 -0.542 44 HA TRP 435 HA TRP 435 3.833 1.890 0.102 45 HB2 TRP 435 HB2 TRP 435 2.333 4.468 -0.418 46 HB3 TRP 435 HB1 TRP 435 1.567 2.913 -0.105 47 HD1 TRP 435 HD1 TRP 435 3.244 5.821 1.640 48 HE1 TRP 435 HE1 TRP 435 3.070 5.500 4.195 49 HE3 TRP 435 HE3 TRP 435 1.508 1.017 1.727 50 HZ2 TRP 435 HZ2 TRP 435 2.298 3.467 5.994 51 HZ3 TRP 435 HZ3 TRP 435 1.079 -0.045 3.903 52 HH2 TRP 435 HH2 TRP 435 1.468 1.158 5.992 53 H THR 436 HN THR 436 4.050 0.565 -1.575 54 HA THR 436 HA THR 436 3.619 1.652 -4.275 55 HB THR 436 HB THR 436 5.018 -0.923 -3.533 56 HG1 THR 436 HG1 THR 436 6.031 1.091 -2.753 57 HG21 THR 436 HG21 THR 436 4.188 -0.838 -5.837 58 HG22 THR 436 HG22 THR 436 5.949 -0.753 -5.803 59 HG23 THR 436 HG23 THR 436 5.002 0.708 -6.081 60 H GLU 437 HN GLU 437 1.976 0.935 -5.494 61 HA GLU 437 HA GLU 437 0.143 -0.997 -4.329 62 HB2 GLU 437 HB2 GLU 437 -1.381 -0.288 -6.162 63 HB3 GLU 437 HB1 GLU 437 -0.836 1.055 -5.166 64 HG2 GLU 437 HG2 GLU 437 0.735 1.736 -6.850 65 HG3 GLU 437 HG1 GLU 437 0.366 0.315 -7.824 66 H TYR 438 HN TYR 438 0.214 -3.074 -4.854 67 HA TYR 438 HA TYR 438 1.355 -3.812 -7.462 68 HB2 TYR 438 HB2 TYR 438 1.167 -5.321 -4.860 69 HB3 TYR 438 HB1 TYR 438 1.515 -6.131 -6.384 70 HD1 TYR 438 HD2 TYR 438 2.772 -3.608 -3.983 71 HD2 TYR 438 HD1 TYR 438 3.680 -6.042 -7.351 72 HE1 TYR 438 HE2 TYR 438 5.157 -3.061 -3.738 73 HE2 TYR 438 HE1 TYR 438 6.065 -5.506 -7.103 74 HH TYR 438 HH TYR 438 7.324 -3.930 -4.322 75 H LYS 439 HN LYS 439 0.021 -4.497 -8.961 76 HA LYS 439 HA LYS 439 -2.723 -5.201 -8.189 77 HB2 LYS 439 HB2 LYS 439 -2.477 -3.263 -9.693 78 HB3 LYS 439 HB1 LYS 439 -1.630 -4.274 -10.856 79 HG2 LYS 439 HG2 LYS 439 -3.917 -3.949 -11.548 80 HG3 LYS 439 HG1 LYS 439 -3.656 -5.641 -11.121 81 HD2 LYS 439 HD2 LYS 439 -5.778 -4.873 -10.228 82 HD3 LYS 439 HD1 LYS 439 -4.654 -5.217 -8.912 83 HE2 LYS 439 HE2 LYS 439 -5.754 -3.176 -8.385 84 HE3 LYS 439 HE1 LYS 439 -4.104 -2.775 -8.859 85 HZ1 LYS 439 HZ1 LYS 439 -6.570 -2.463 -10.479 86 HZ2 LYS 439 HZ2 LYS 439 -5.009 -2.289 -11.116 87 HZ3 LYS 439 HZ3 LYS 439 -5.546 -1.237 -9.900 88 H THR 440 HN THR 440 -3.322 -7.247 -8.340 89 HA THR 440 HA THR 440 -1.670 -9.140 -9.804 90 HB THR 440 HB THR 440 -3.139 -10.857 -8.793 91 HG1 THR 440 HG1 THR 440 -5.019 -10.241 -8.079 92 HG21 THR 440 HG21 THR 440 -2.444 -10.517 -6.465 93 HG22 THR 440 HG22 THR 440 -2.072 -8.830 -6.821 94 HG23 THR 440 HG23 THR 440 -1.141 -10.119 -7.585 95 H ALA 441 HN ALA 441 -2.502 -10.539 -11.401 96 HA ALA 441 HA ALA 441 -3.932 -9.281 -13.419 97 HB1 ALA 441 HB1 ALA 441 -3.539 -12.245 -13.034 98 HB2 ALA 441 HB2 ALA 441 -2.386 -11.141 -13.782 99 HB3 ALA 441 HB3 ALA 441 -3.947 -11.434 -14.547 100 H ASP 442 HN ASP 442 -5.134 -11.243 -10.776 101 HA ASP 442 HA ASP 442 -7.731 -11.550 -12.021 102 HB2 ASP 442 HB2 ASP 442 -8.366 -12.777 -9.982 103 HB3 ASP 442 HB1 ASP 442 -6.915 -13.426 -10.730 104 H GLY 443 HN GLY 443 -6.267 -9.050 -10.514 105 HA2 GLY 443 HA2 GLY 443 -7.321 -6.963 -10.348 106 HA3 GLY 443 HA1 GLY 443 -8.873 -7.776 -10.264 107 H LYS 444 HN LYS 444 -5.934 -8.031 -8.267 108 HA LYS 444 HA LYS 444 -7.533 -7.082 -5.984 109 HB2 LYS 444 HB2 LYS 444 -5.498 -9.319 -6.046 110 HB3 LYS 444 HB1 LYS 444 -6.149 -8.629 -4.564 111 HG2 LYS 444 HG2 LYS 444 -8.295 -9.451 -4.981 112 HG3 LYS 444 HG1 LYS 444 -7.944 -9.745 -6.684 113 HD2 LYS 444 HD2 LYS 444 -6.388 -11.531 -6.046 114 HD3 LYS 444 HD1 LYS 444 -6.770 -11.246 -4.344 115 HE2 LYS 444 HE2 LYS 444 -8.981 -11.998 -4.604 116 HE3 LYS 444 HE1 LYS 444 -8.898 -11.887 -6.363 117 HZ1 LYS 444 HZ1 LYS 444 -7.402 -13.739 -6.419 118 HZ2 LYS 444 HZ2 LYS 444 -8.775 -14.184 -5.522 119 HZ3 LYS 444 HZ3 LYS 444 -7.330 -13.806 -4.724 120 H THR 445 HN THR 445 -6.652 -5.491 -4.815 121 HA THR 445 HA THR 445 -3.992 -4.551 -5.645 122 HB THR 445 HB THR 445 -6.191 -2.880 -4.421 123 HG1 THR 445 HG1 THR 445 -7.044 -2.652 -6.366 124 HG21 THR 445 HG21 THR 445 -4.933 -1.012 -5.394 125 HG22 THR 445 HG22 THR 445 -3.731 -2.143 -6.016 126 HG23 THR 445 HG23 THR 445 -3.932 -1.940 -4.276 127 H TYR 446 HN TYR 446 -2.433 -4.620 -4.138 128 HA TYR 446 HA TYR 446 -3.177 -4.062 -1.368 129 HB2 TYR 446 HB2 TYR 446 -1.783 -5.825 -0.481 130 HB3 TYR 446 HB1 TYR 446 -2.960 -6.525 -1.581 131 HD1 TYR 446 HD1 TYR 446 -2.204 -7.300 -3.847 132 HD2 TYR 446 HD2 TYR 446 0.536 -6.054 -0.840 133 HE1 TYR 446 HE1 TYR 446 -0.385 -8.459 -5.030 134 HE2 TYR 446 HE2 TYR 446 2.361 -7.204 -2.016 135 HH TYR 446 HH TYR 446 2.622 -9.079 -3.618 136 H TYR 447 HN TYR 447 -1.717 -2.889 -0.233 137 HA TYR 447 HA TYR 447 0.427 -1.681 -1.815 138 HB2 TYR 447 HB2 TYR 447 -0.944 -0.830 0.738 139 HB3 TYR 447 HB1 TYR 447 0.448 0.007 0.061 140 HD1 TYR 447 HD2 TYR 447 -3.125 -0.685 -0.320 141 HD2 TYR 447 HD1 TYR 447 0.240 1.339 -1.959 142 HE1 TYR 447 HE2 TYR 447 -4.627 0.662 -1.724 143 HE2 TYR 447 HE1 TYR 447 -1.252 2.695 -3.366 144 HH TYR 447 HH TYR 447 -3.413 2.750 -4.243 145 H TYR 448 HN TYR 448 2.423 -2.326 -1.529 146 HA TYR 448 HA TYR 448 3.141 -3.761 0.924 147 HB2 TYR 448 HB2 TYR 448 3.578 -4.799 -1.329 148 HB3 TYR 448 HB1 TYR 448 4.716 -3.500 -1.641 149 HD1 TYR 448 HD1 TYR 448 4.038 -6.314 0.691 150 HD2 TYR 448 HD2 TYR 448 6.952 -3.699 -0.976 151 HE1 TYR 448 HE1 TYR 448 5.824 -7.652 1.725 152 HE2 TYR 448 HE2 TYR 448 8.745 -5.027 0.058 153 HH TYR 448 HH TYR 448 8.201 -8.120 1.393 154 H ASN 449 HN ASN 449 4.095 -2.639 2.465 155 HA ASN 449 HA ASN 449 5.547 -0.181 1.756 156 HB2 ASN 449 HB2 ASN 449 3.702 0.169 3.296 157 HB3 ASN 449 HB1 ASN 449 4.306 -1.090 4.365 158 HD21 ASN 449 HD21 ASN 449 4.729 2.165 3.241 159 HD22 ASN 449 HD22 ASN 449 5.817 2.663 4.487 160 H ASN 450 HN ASN 450 7.699 -0.344 1.715 161 HA ASN 450 HA ASN 450 8.988 -2.704 2.766 162 HB2 ASN 450 HB2 ASN 450 10.431 -0.307 1.644 163 HB3 ASN 450 HB1 ASN 450 10.935 -1.993 1.629 164 HD21 ASN 450 HD21 ASN 450 8.946 0.429 0.157 165 HD22 ASN 450 HD22 ASN 450 8.546 -0.476 -1.269 166 H ARG 451 HN ARG 451 8.568 0.597 3.677 167 HA ARG 451 HA ARG 451 10.624 1.057 5.462 168 HB2 ARG 451 HB2 ARG 451 8.959 2.740 4.800 169 HB3 ARG 451 HB1 ARG 451 7.726 1.887 5.716 170 HG2 ARG 451 HG2 ARG 451 9.124 2.304 7.769 171 HG3 ARG 451 HG1 ARG 451 10.109 3.378 6.772 172 HD2 ARG 451 HD2 ARG 451 8.486 4.719 7.906 173 HD3 ARG 451 HD1 ARG 451 8.032 4.642 6.204 174 HE ARG 451 HE ARG 451 6.765 2.698 7.960 175 HH11 ARG 451 HH11 ARG 451 6.506 5.803 6.332 176 HH12 ARG 451 HH12 ARG 451 4.768 5.871 6.475 177 HH21 ARG 451 HH21 ARG 451 4.480 2.819 8.165 178 HH22 ARG 451 HH22 ARG 451 3.625 4.205 7.534 179 H THR 452 HN THR 452 7.523 -0.531 6.061 180 HA THR 452 HA THR 452 8.468 -1.274 8.751 181 HB THR 452 HB THR 452 5.585 -1.466 8.027 182 HG1 THR 452 HG1 THR 452 6.152 0.565 7.172 183 HG21 THR 452 HG21 THR 452 5.315 -0.668 10.333 184 HG22 THR 452 HG22 THR 452 7.062 -0.476 10.471 185 HG23 THR 452 HG23 THR 452 6.365 -2.083 10.266 186 H LEU 453 HN LEU 453 7.926 -2.495 5.697 187 HA LEU 453 HA LEU 453 7.815 -4.562 4.777 188 HB2 LEU 453 HB2 LEU 453 8.354 -5.493 7.601 189 HB3 LEU 453 HB1 LEU 453 8.346 -6.538 6.193 190 HG LEU 453 HG LEU 453 10.273 -4.272 6.721 191 HD11 LEU 453 HD11 LEU 453 10.656 -7.264 6.655 192 HD12 LEU 453 HD12 LEU 453 10.703 -6.237 8.087 193 HD13 LEU 453 HD13 LEU 453 11.940 -6.069 6.842 194 HD21 LEU 453 HD21 LEU 453 11.407 -5.014 4.685 195 HD22 LEU 453 HD22 LEU 453 9.768 -4.458 4.340 196 HD23 LEU 453 HD23 LEU 453 10.121 -6.185 4.393 197 H GLU 454 HN GLU 454 5.482 -3.185 5.903 198 HA GLU 454 HA GLU 454 3.750 -5.433 6.664 199 HB2 GLU 454 HB2 GLU 454 3.373 -2.446 6.935 200 HB3 GLU 454 HB1 GLU 454 2.138 -3.633 7.331 201 HG2 GLU 454 HG2 GLU 454 4.842 -3.424 8.631 202 HG3 GLU 454 HG1 GLU 454 3.326 -2.835 9.310 203 H SER 455 HN SER 455 2.103 -6.077 5.408 204 HA SER 455 HA SER 455 1.664 -4.641 2.879 205 HB2 SER 455 HB2 SER 455 0.996 -7.519 3.538 206 HB3 SER 455 HB1 SER 455 0.919 -6.753 1.952 207 HG SER 455 HG SER 455 3.360 -6.515 3.170 208 H TYR 456 HN TYR 456 -0.201 -3.574 2.693 209 HA TYR 456 HA TYR 456 -2.476 -4.450 4.356 210 HB2 TYR 456 HB2 TYR 456 -1.715 -1.647 3.508 211 HB3 TYR 456 HB1 TYR 456 -3.253 -2.061 4.255 212 HD1 TYR 456 HD1 TYR 456 -2.311 -4.017 6.304 213 HD2 TYR 456 HD2 TYR 456 -0.728 -0.254 5.112 214 HE1 TYR 456 HE1 TYR 456 -1.313 -3.742 8.533 215 HE2 TYR 456 HE2 TYR 456 0.286 0.029 7.338 216 HH TYR 456 HH TYR 456 -0.207 -0.854 9.703 217 H TRP 457 HN TRP 457 -4.296 -4.968 3.334 218 HA TRP 457 HA TRP 457 -4.316 -4.828 0.432 219 HB2 TRP 457 HB2 TRP 457 -6.200 -6.136 2.405 220 HB3 TRP 457 HB1 TRP 457 -6.390 -6.213 0.655 221 HD1 TRP 457 HD1 TRP 457 -4.046 -7.434 3.455 222 HE1 TRP 457 HE1 TRP 457 -2.709 -9.452 2.580 223 HE3 TRP 457 HE3 TRP 457 -5.590 -7.365 -1.423 224 HZ2 TRP 457 HZ2 TRP 457 -2.365 -10.833 0.138 225 HZ3 TRP 457 HZ3 TRP 457 -4.708 -9.072 -2.962 226 HH2 TRP 457 HH2 TRP 457 -3.129 -10.769 -2.196 227 H GLU 458 HN GLU 458 -5.145 -2.789 2.820 228 HA GLU 458 HA GLU 458 -7.047 -1.420 1.058 229 HB2 GLU 458 HB2 GLU 458 -8.230 -2.344 3.047 230 HB3 GLU 458 HB1 GLU 458 -7.163 -1.408 4.085 231 HG2 GLU 458 HG2 GLU 458 -9.359 -0.355 3.774 232 HG3 GLU 458 HG1 GLU 458 -8.035 0.657 3.201 233 H LYS 459 HN LYS 459 -6.930 0.848 1.122 234 HA LYS 459 HA LYS 459 -4.297 1.783 0.962 235 HB2 LYS 459 HB2 LYS 459 -6.705 3.554 1.268 236 HB3 LYS 459 HB1 LYS 459 -5.240 3.857 0.341 237 HG2 LYS 459 HG2 LYS 459 -5.843 2.204 -1.276 238 HG3 LYS 459 HG1 LYS 459 -7.224 1.692 -0.304 239 HD2 LYS 459 HD2 LYS 459 -7.973 4.165 -0.541 240 HD3 LYS 459 HD1 LYS 459 -6.845 4.190 -1.901 241 HE2 LYS 459 HE2 LYS 459 -9.045 3.652 -2.715 242 HE3 LYS 459 HE1 LYS 459 -8.015 2.227 -2.852 243 HZ1 LYS 459 HZ1 LYS 459 -10.178 1.634 -1.977 244 HZ2 LYS 459 HZ2 LYS 459 -10.010 2.744 -0.708 245 HZ3 LYS 459 HZ3 LYS 459 -8.998 1.385 -0.781 246 HA PRO 460 HA PRO 460 -3.474 2.904 5.233 247 HB2 PRO 460 HB2 PRO 460 -1.151 4.218 4.686 248 HB3 PRO 460 HB1 PRO 460 -1.258 2.455 4.771 249 HG2 PRO 460 HG2 PRO 460 -1.311 4.240 2.355 250 HG3 PRO 460 HG1 PRO 460 -0.400 2.738 2.615 251 HD2 PRO 460 HD2 PRO 460 -2.678 2.768 1.207 252 HD3 PRO 460 HD1 PRO 460 -2.260 1.403 2.265 253 H GLN 461 HN GLN 461 -3.712 4.807 6.434 254 HA GLN 461 HA GLN 461 -5.053 6.949 5.151 255 HB2 GLN 461 HB2 GLN 461 -5.442 6.249 7.517 256 HB3 GLN 461 HB1 GLN 461 -3.875 6.933 7.936 257 HG2 GLN 461 HG2 GLN 461 -4.624 9.134 7.265 258 HG3 GLN 461 HG1 GLN 461 -6.172 8.471 6.749 259 HE21 GLN 461 HE21 GLN 461 -7.310 9.797 8.126 260 HE22 GLN 461 HE22 GLN 461 -7.345 9.546 9.844 261 H GLU 462 HN GLU 462 -1.756 6.258 5.528 262 HA GLU 462 HA GLU 462 -0.709 8.893 5.485 263 HB2 GLU 462 HB2 GLU 462 0.441 6.260 4.562 264 HB3 GLU 462 HB1 GLU 462 1.337 7.769 4.492 265 HG2 GLU 462 HG2 GLU 462 1.154 7.994 6.915 266 HG3 GLU 462 HG1 GLU 462 0.255 6.477 6.985 267 H LEU 463 HN LEU 463 -2.208 6.910 3.126 268 HA LEU 463 HA LEU 463 -1.064 8.352 0.874 269 HB2 LEU 463 HB2 LEU 463 -1.336 5.927 0.731 270 HB3 LEU 463 HB1 LEU 463 -3.059 6.091 0.998 271 HG LEU 463 HG LEU 463 -3.276 7.277 -1.148 272 HD11 LEU 463 HD11 LEU 463 -0.342 6.656 -1.468 273 HD12 LEU 463 HD12 LEU 463 -1.037 8.259 -1.230 274 HD13 LEU 463 HD13 LEU 463 -1.398 7.351 -2.698 275 HD21 LEU 463 HD21 LEU 463 -2.831 5.340 -2.591 276 HD22 LEU 463 HD22 LEU 463 -3.604 4.877 -1.074 277 HD23 LEU 463 HD23 LEU 463 -1.875 4.613 -1.299 278 H LYS 464 HN LYS 464 -4.245 7.746 2.316 279 HA LYS 464 HA LYS 464 -6.167 8.938 2.369 280 HB2 LYS 464 HB2 LYS 464 -4.537 10.808 2.941 281 HB3 LYS 464 HB1 LYS 464 -4.603 11.273 1.251 282 HG2 LYS 464 HG2 LYS 464 -7.066 11.104 2.957 283 HG3 LYS 464 HG1 LYS 464 -6.067 12.554 2.888 284 HD2 LYS 464 HD2 LYS 464 -7.303 11.245 0.467 285 HD3 LYS 464 HD1 LYS 464 -8.061 12.558 1.365 286 HE2 LYS 464 HE2 LYS 464 -6.959 13.511 -0.523 287 HE3 LYS 464 HE1 LYS 464 -6.025 13.939 0.907 288 HZ1 LYS 464 HZ1 LYS 464 -5.272 11.529 -0.594 289 HZ2 LYS 464 HZ2 LYS 464 -4.295 12.604 0.292 290 HZ3 LYS 464 HZ3 LYS 464 -4.868 13.046 -1.241 Start of MODEL 2 1 H1 GLY 428 HT1 GLY 428 4.735 7.257 -8.899 2 H2 GLY 428 HT2 GLY 428 5.473 5.812 -8.399 3 H3 GLY 428 HT3 GLY 428 5.507 6.264 -10.034 4 HA2 GLY 428 HA1 GLY 428 7.638 6.667 -8.926 5 HA3 GLY 428 HA2 GLY 428 6.906 8.133 -9.568 6 H ALA 429 HN ALA 429 8.397 9.129 -7.965 7 HA ALA 429 HA ALA 429 7.774 8.814 -5.180 8 HB1 ALA 429 HB1 ALA 429 9.429 10.554 -4.800 9 HB2 ALA 429 HB2 ALA 429 9.488 10.897 -6.529 10 HB3 ALA 429 HB3 ALA 429 10.049 9.340 -5.920 11 H THR 430 HN THR 430 5.486 9.286 -5.321 12 HA THR 430 HA THR 430 5.019 12.185 -5.102 13 HB THR 430 HB THR 430 2.582 11.553 -5.710 14 HG1 THR 430 HG1 THR 430 2.288 9.530 -6.228 15 HG21 THR 430 HG21 THR 430 3.055 11.814 -8.110 16 HG22 THR 430 HG22 THR 430 4.762 11.489 -7.801 17 HG23 THR 430 HG23 THR 430 4.003 12.932 -7.128 18 H ALA 431 HN ALA 431 5.575 9.751 -3.252 19 HA ALA 431 HA ALA 431 3.448 10.398 -1.326 20 HB1 ALA 431 HB1 ALA 431 3.528 8.106 -0.493 21 HB2 ALA 431 HB2 ALA 431 4.736 7.695 -1.710 22 HB3 ALA 431 HB3 ALA 431 3.101 8.134 -2.203 23 H VAL 432 HN VAL 432 4.083 10.469 0.858 24 HA VAL 432 HA VAL 432 6.822 11.288 1.220 25 HB VAL 432 HB VAL 432 4.578 11.117 3.240 26 HG11 VAL 432 HG11 VAL 432 5.926 12.661 4.577 27 HG12 VAL 432 HG12 VAL 432 7.223 12.559 3.385 28 HG13 VAL 432 HG13 VAL 432 6.763 11.131 4.313 29 HG21 VAL 432 HG21 VAL 432 4.353 13.534 2.896 30 HG22 VAL 432 HG22 VAL 432 4.038 12.631 1.414 31 HG23 VAL 432 HG23 VAL 432 5.578 13.462 1.628 32 H SER 433 HN SER 433 4.765 8.610 2.226 33 HA SER 433 HA SER 433 7.045 7.374 3.583 34 HB2 SER 433 HB2 SER 433 4.850 7.528 4.799 35 HB3 SER 433 HB1 SER 433 4.156 6.458 3.582 36 HG SER 433 HG SER 433 4.886 5.353 5.490 37 H GLU 434 HN GLU 434 6.753 4.778 3.314 38 HA GLU 434 HA GLU 434 7.320 4.426 0.463 39 HB2 GLU 434 HB2 GLU 434 7.813 2.418 2.649 40 HB3 GLU 434 HB1 GLU 434 8.565 2.500 1.064 41 HG2 GLU 434 HG2 GLU 434 8.950 4.500 3.269 42 HG3 GLU 434 HG1 GLU 434 10.049 3.185 2.879 43 H TRP 435 HN TRP 435 5.287 4.134 -0.443 44 HA TRP 435 HA TRP 435 3.998 1.618 0.326 45 HB2 TRP 435 HB2 TRP 435 2.630 4.246 -0.235 46 HB3 TRP 435 HB1 TRP 435 1.785 2.699 -0.233 47 HD1 TRP 435 HD1 TRP 435 3.382 5.243 2.127 48 HE1 TRP 435 HE1 TRP 435 2.699 4.668 4.552 49 HE3 TRP 435 HE3 TRP 435 1.177 0.702 1.287 50 HZ2 TRP 435 HZ2 TRP 435 1.406 2.562 5.907 51 HZ3 TRP 435 HZ3 TRP 435 0.254 -0.534 3.204 52 HH2 TRP 435 HH2 TRP 435 0.369 0.379 5.466 53 H THR 436 HN THR 436 4.286 0.289 -1.272 54 HA THR 436 HA THR 436 4.133 1.306 -4.030 55 HB THR 436 HB THR 436 5.404 -1.240 -2.990 56 HG1 THR 436 HG1 THR 436 6.293 1.338 -3.245 57 HG21 THR 436 HG21 THR 436 4.582 -1.478 -5.289 58 HG22 THR 436 HG22 THR 436 6.345 -1.444 -5.248 59 HG23 THR 436 HG23 THR 436 5.447 -0.012 -5.754 60 H GLU 437 HN GLU 437 2.468 0.679 -5.268 61 HA GLU 437 HA GLU 437 0.560 -1.202 -4.143 62 HB2 GLU 437 HB2 GLU 437 -0.996 -0.391 -5.763 63 HB3 GLU 437 HB1 GLU 437 -0.159 1.008 -5.119 64 HG2 GLU 437 HG2 GLU 437 0.008 1.591 -7.273 65 HG3 GLU 437 HG1 GLU 437 1.371 0.475 -7.282 66 H TYR 438 HN TYR 438 0.110 -3.172 -4.981 67 HA TYR 438 HA TYR 438 1.516 -3.912 -7.451 68 HB2 TYR 438 HB2 TYR 438 1.044 -5.570 -4.974 69 HB3 TYR 438 HB1 TYR 438 1.474 -6.283 -6.526 70 HD1 TYR 438 HD1 TYR 438 3.644 -5.506 -7.622 71 HD2 TYR 438 HD2 TYR 438 2.720 -4.757 -3.537 72 HE1 TYR 438 HE1 TYR 438 6.026 -5.117 -7.163 73 HE2 TYR 438 HE2 TYR 438 5.101 -4.361 -3.067 74 HH TYR 438 HH TYR 438 7.385 -3.837 -5.458 75 H LYS 439 HN LYS 439 0.159 -4.077 -9.017 76 HA LYS 439 HA LYS 439 -2.646 -4.659 -8.548 77 HB2 LYS 439 HB2 LYS 439 -1.995 -2.802 -10.031 78 HB3 LYS 439 HB1 LYS 439 -1.151 -3.931 -11.078 79 HG2 LYS 439 HG2 LYS 439 -3.191 -3.472 -12.136 80 HG3 LYS 439 HG1 LYS 439 -3.366 -5.079 -11.432 81 HD2 LYS 439 HD2 LYS 439 -5.386 -3.906 -10.993 82 HD3 LYS 439 HD1 LYS 439 -4.501 -3.986 -9.471 83 HE2 LYS 439 HE2 LYS 439 -4.274 -1.602 -11.283 84 HE3 LYS 439 HE1 LYS 439 -5.609 -1.756 -10.145 85 HZ1 LYS 439 HZ1 LYS 439 -2.714 -1.654 -9.484 86 HZ2 LYS 439 HZ2 LYS 439 -3.936 -1.986 -8.361 87 HZ3 LYS 439 HZ3 LYS 439 -3.883 -0.482 -9.130 88 H THR 440 HN THR 440 -3.275 -6.716 -8.508 89 HA THR 440 HA THR 440 -1.806 -8.733 -10.019 90 HB THR 440 HB THR 440 -3.175 -10.367 -8.805 91 HG1 THR 440 HG1 THR 440 -4.831 -9.759 -7.529 92 HG21 THR 440 HG21 THR 440 -1.125 -9.576 -7.741 93 HG22 THR 440 HG22 THR 440 -2.366 -9.906 -6.530 94 HG23 THR 440 HG23 THR 440 -2.011 -8.243 -7.001 95 H ALA 441 HN ALA 441 -2.804 -10.088 -11.548 96 HA ALA 441 HA ALA 441 -4.693 -8.957 -13.271 97 HB1 ALA 441 HB1 ALA 441 -3.120 -10.719 -13.936 98 HB2 ALA 441 HB2 ALA 441 -4.782 -11.134 -14.352 99 HB3 ALA 441 HB3 ALA 441 -4.012 -11.879 -12.951 100 H ASP 442 HN ASP 442 -5.088 -10.966 -10.443 101 HA ASP 442 HA ASP 442 -7.844 -11.577 -10.912 102 HB2 ASP 442 HB2 ASP 442 -7.776 -12.267 -8.454 103 HB3 ASP 442 HB1 ASP 442 -6.709 -13.132 -9.554 104 H GLY 443 HN GLY 443 -6.382 -8.714 -10.186 105 HA2 GLY 443 HA2 GLY 443 -7.525 -6.695 -10.068 106 HA3 GLY 443 HA1 GLY 443 -9.000 -7.576 -9.711 107 H LYS 444 HN LYS 444 -6.064 -8.043 -7.858 108 HA LYS 444 HA LYS 444 -7.330 -6.556 -5.656 109 HB2 LYS 444 HB2 LYS 444 -5.742 -9.114 -5.586 110 HB3 LYS 444 HB1 LYS 444 -6.021 -8.139 -4.149 111 HG2 LYS 444 HG2 LYS 444 -8.418 -8.406 -4.407 112 HG3 LYS 444 HG1 LYS 444 -8.167 -9.331 -5.889 113 HD2 LYS 444 HD2 LYS 444 -7.131 -11.107 -4.701 114 HD3 LYS 444 HD1 LYS 444 -7.039 -10.151 -3.220 115 HE2 LYS 444 HE2 LYS 444 -9.606 -10.979 -4.563 116 HE3 LYS 444 HE1 LYS 444 -8.859 -11.849 -3.222 117 HZ1 LYS 444 HZ1 LYS 444 -9.097 -9.896 -1.843 118 HZ2 LYS 444 HZ2 LYS 444 -10.607 -10.328 -2.482 119 HZ3 LYS 444 HZ3 LYS 444 -9.757 -9.013 -3.132 120 H THR 445 HN THR 445 -6.314 -4.685 -5.531 121 HA THR 445 HA THR 445 -3.437 -4.551 -5.941 122 HB THR 445 HB THR 445 -5.377 -2.311 -5.335 123 HG1 THR 445 HG1 THR 445 -5.918 -3.177 -7.325 124 HG21 THR 445 HG21 THR 445 -2.552 -2.275 -6.410 125 HG22 THR 445 HG22 THR 445 -3.049 -1.770 -4.796 126 HG23 THR 445 HG23 THR 445 -3.591 -0.866 -6.211 127 H TYR 446 HN TYR 446 -2.345 -5.268 -4.196 128 HA TYR 446 HA TYR 446 -3.195 -4.271 -1.575 129 HB2 TYR 446 HB2 TYR 446 -1.731 -5.944 -0.580 130 HB3 TYR 446 HB1 TYR 446 -2.841 -6.701 -1.712 131 HD1 TYR 446 HD1 TYR 446 -1.978 -7.505 -3.918 132 HD2 TYR 446 HD2 TYR 446 0.620 -6.067 -0.870 133 HE1 TYR 446 HE1 TYR 446 -0.079 -8.613 -5.020 134 HE2 TYR 446 HE2 TYR 446 2.524 -7.167 -1.965 135 HH TYR 446 HH TYR 446 2.369 -8.401 -5.117 136 H TYR 447 HN TYR 447 -1.973 -2.941 -0.384 137 HA TYR 447 HA TYR 447 0.205 -1.628 -1.833 138 HB2 TYR 447 HB2 TYR 447 -1.338 -0.647 0.578 139 HB3 TYR 447 HB1 TYR 447 -0.205 0.287 -0.397 140 HD1 TYR 447 HD1 TYR 447 -0.820 0.928 -2.722 141 HD2 TYR 447 HD2 TYR 447 -3.596 -0.964 -0.110 142 HE1 TYR 447 HE1 TYR 447 -2.667 1.620 -4.192 143 HE2 TYR 447 HE2 TYR 447 -5.445 -0.278 -1.572 144 HH TYR 447 HH TYR 447 -5.016 0.835 -4.691 145 H TYR 448 HN TYR 448 2.182 -2.129 -1.288 146 HA TYR 448 HA TYR 448 2.669 -3.403 1.307 147 HB2 TYR 448 HB2 TYR 448 3.310 -4.536 -0.868 148 HB3 TYR 448 HB1 TYR 448 4.508 -3.267 -1.087 149 HD1 TYR 448 HD1 TYR 448 3.457 -5.836 1.407 150 HD2 TYR 448 HD2 TYR 448 6.662 -3.622 -0.295 151 HE1 TYR 448 HE1 TYR 448 5.060 -7.163 2.718 152 HE2 TYR 448 HE2 TYR 448 8.274 -4.940 1.014 153 HH TYR 448 HH TYR 448 8.362 -6.309 2.998 154 H ASN 449 HN ASN 449 3.663 -2.310 2.865 155 HA ASN 449 HA ASN 449 4.925 0.244 2.241 156 HB2 ASN 449 HB2 ASN 449 3.388 0.057 4.199 157 HB3 ASN 449 HB1 ASN 449 4.508 -1.083 4.937 158 HD21 ASN 449 HD21 ASN 449 3.550 1.567 5.808 159 HD22 ASN 449 HD22 ASN 449 4.967 2.517 6.084 160 H ASN 450 HN ASN 450 6.977 0.283 1.719 161 HA ASN 450 HA ASN 450 8.636 -2.045 2.035 162 HB2 ASN 450 HB2 ASN 450 9.306 0.687 0.920 163 HB3 ASN 450 HB1 ASN 450 10.313 -0.749 0.780 164 HD21 ASN 450 HD21 ASN 450 9.056 0.967 -1.241 165 HD22 ASN 450 HD22 ASN 450 8.105 -0.086 -2.231 166 H ARG 451 HN ARG 451 8.027 0.678 3.935 167 HA ARG 451 HA ARG 451 10.727 0.872 5.002 168 HB2 ARG 451 HB2 ARG 451 9.264 2.882 4.572 169 HB3 ARG 451 HB1 ARG 451 8.252 2.351 5.906 170 HG2 ARG 451 HG2 ARG 451 10.097 2.615 7.454 171 HG3 ARG 451 HG1 ARG 451 11.171 3.053 6.124 172 HD2 ARG 451 HD2 ARG 451 8.723 4.583 7.003 173 HD3 ARG 451 HD1 ARG 451 10.397 5.033 7.330 174 HE ARG 451 HE ARG 451 9.536 4.761 4.546 175 HH11 ARG 451 HH11 ARG 451 10.525 6.809 7.205 176 HH12 ARG 451 HH12 ARG 451 10.832 8.189 6.186 177 HH21 ARG 451 HH21 ARG 451 9.925 6.572 3.196 178 HH22 ARG 451 HH22 ARG 451 10.469 8.060 3.918 179 H THR 452 HN THR 452 7.553 -0.306 5.943 180 HA THR 452 HA THR 452 8.740 -1.288 8.451 181 HB THR 452 HB THR 452 6.414 -1.484 9.289 182 HG1 THR 452 HG1 THR 452 4.727 -0.828 8.086 183 HG21 THR 452 HG21 THR 452 7.744 0.517 9.781 184 HG22 THR 452 HG22 THR 452 6.034 0.912 9.612 185 HG23 THR 452 HG23 THR 452 7.156 1.273 8.301 186 H LEU 453 HN LEU 453 7.947 -2.286 5.425 187 HA LEU 453 HA LEU 453 7.807 -4.305 4.409 188 HB2 LEU 453 HB2 LEU 453 8.537 -5.371 7.139 189 HB3 LEU 453 HB1 LEU 453 8.548 -6.306 5.655 190 HG LEU 453 HG LEU 453 10.324 -3.939 6.267 191 HD11 LEU 453 HD11 LEU 453 10.921 -5.927 7.536 192 HD12 LEU 453 HD12 LEU 453 12.120 -5.596 6.285 193 HD13 LEU 453 HD13 LEU 453 10.937 -6.882 6.055 194 HD21 LEU 453 HD21 LEU 453 10.237 -5.752 3.857 195 HD22 LEU 453 HD22 LEU 453 11.455 -4.516 4.172 196 HD23 LEU 453 HD23 LEU 453 9.776 -4.049 3.897 197 H GLU 454 HN GLU 454 5.481 -3.079 5.696 198 HA GLU 454 HA GLU 454 3.914 -5.410 6.551 199 HB2 GLU 454 HB2 GLU 454 3.374 -2.447 6.805 200 HB3 GLU 454 HB1 GLU 454 2.255 -3.703 7.313 201 HG2 GLU 454 HG2 GLU 454 3.896 -4.528 8.917 202 HG3 GLU 454 HG1 GLU 454 5.030 -3.282 8.400 203 H SER 455 HN SER 455 2.407 -6.272 5.297 204 HA SER 455 HA SER 455 1.782 -4.975 2.744 205 HB2 SER 455 HB2 SER 455 2.623 -7.351 2.818 206 HB3 SER 455 HB1 SER 455 1.141 -7.790 3.661 207 HG SER 455 HG SER 455 1.228 -8.042 1.272 208 H TYR 456 HN TYR 456 -0.068 -3.891 2.550 209 HA TYR 456 HA TYR 456 -2.297 -4.557 4.366 210 HB2 TYR 456 HB2 TYR 456 -1.277 -1.939 3.318 211 HB3 TYR 456 HB1 TYR 456 -2.971 -2.101 3.762 212 HD1 TYR 456 HD2 TYR 456 0.470 -2.026 5.010 213 HD2 TYR 456 HD1 TYR 456 -3.633 -2.378 6.069 214 HE1 TYR 456 HE2 TYR 456 1.049 -1.620 7.365 215 HE2 TYR 456 HE1 TYR 456 -3.068 -1.979 8.427 216 HH TYR 456 HH TYR 456 0.107 -0.960 9.410 217 H TRP 457 HN TRP 457 -4.108 -5.277 3.455 218 HA TRP 457 HA TRP 457 -4.314 -5.295 0.556 219 HB2 TRP 457 HB2 TRP 457 -6.083 -6.527 2.681 220 HB3 TRP 457 HB1 TRP 457 -6.286 -6.753 0.946 221 HD1 TRP 457 HD1 TRP 457 -4.024 -7.776 3.855 222 HE1 TRP 457 HE1 TRP 457 -2.570 -9.769 3.117 223 HE3 TRP 457 HE3 TRP 457 -5.261 -7.881 -1.105 224 HZ2 TRP 457 HZ2 TRP 457 -2.033 -11.200 0.742 225 HZ3 TRP 457 HZ3 TRP 457 -4.235 -9.595 -2.541 226 HH2 TRP 457 HH2 TRP 457 -2.653 -11.221 -1.634 227 H GLU 458 HN GLU 458 -5.098 -3.179 2.917 228 HA GLU 458 HA GLU 458 -7.253 -2.025 1.286 229 HB2 GLU 458 HB2 GLU 458 -7.507 -2.900 3.925 230 HB3 GLU 458 HB1 GLU 458 -7.313 -1.158 4.064 231 HG2 GLU 458 HG2 GLU 458 -9.365 -2.574 2.377 232 HG3 GLU 458 HG1 GLU 458 -9.662 -1.802 3.930 233 H LYS 459 HN LYS 459 -7.285 0.241 1.180 234 HA LYS 459 HA LYS 459 -4.766 1.411 0.799 235 HB2 LYS 459 HB2 LYS 459 -7.418 2.805 1.161 236 HB3 LYS 459 HB1 LYS 459 -5.993 3.465 0.373 237 HG2 LYS 459 HG2 LYS 459 -6.177 1.872 -1.415 238 HG3 LYS 459 HG1 LYS 459 -7.506 1.048 -0.594 239 HD2 LYS 459 HD2 LYS 459 -7.524 3.869 -1.660 240 HD3 LYS 459 HD1 LYS 459 -8.363 2.478 -2.353 241 HE2 LYS 459 HE2 LYS 459 -8.862 3.681 0.367 242 HE3 LYS 459 HE1 LYS 459 -9.878 3.894 -1.058 243 HZ1 LYS 459 HZ1 LYS 459 -10.768 2.208 0.424 244 HZ2 LYS 459 HZ2 LYS 459 -9.344 1.298 0.306 245 HZ3 LYS 459 HZ3 LYS 459 -10.327 1.517 -1.060 246 HA PRO 460 HA PRO 460 -3.945 2.739 5.002 247 HB2 PRO 460 HB2 PRO 460 -1.560 3.880 4.496 248 HB3 PRO 460 HB1 PRO 460 -1.764 2.124 4.533 249 HG2 PRO 460 HG2 PRO 460 -1.645 3.966 2.175 250 HG3 PRO 460 HG1 PRO 460 -0.858 2.393 2.406 251 HD2 PRO 460 HD2 PRO 460 -3.154 2.718 0.980 252 HD3 PRO 460 HD1 PRO 460 -2.753 1.225 1.854 253 H GLN 461 HN GLN 461 -4.163 4.634 6.106 254 HA GLN 461 HA GLN 461 -5.331 6.858 4.819 255 HB2 GLN 461 HB2 GLN 461 -5.619 6.125 7.236 256 HB3 GLN 461 HB1 GLN 461 -4.063 6.878 7.558 257 HG2 GLN 461 HG2 GLN 461 -5.872 8.365 8.161 258 HG3 GLN 461 HG1 GLN 461 -4.951 9.030 6.811 259 HE21 GLN 461 HE21 GLN 461 -7.946 7.580 7.805 260 HE22 GLN 461 HE22 GLN 461 -8.849 7.989 6.380 261 H GLU 462 HN GLU 462 -2.086 5.950 5.222 262 HA GLU 462 HA GLU 462 -0.875 8.537 5.144 263 HB2 GLU 462 HB2 GLU 462 0.227 5.806 4.454 264 HB3 GLU 462 HB1 GLU 462 1.192 7.269 4.588 265 HG2 GLU 462 HG2 GLU 462 0.769 7.427 6.921 266 HG3 GLU 462 HG1 GLU 462 -0.449 6.154 6.845 267 H LEU 463 HN LEU 463 -2.348 6.508 2.835 268 HA LEU 463 HA LEU 463 -0.781 7.396 0.578 269 HB2 LEU 463 HB2 LEU 463 -1.689 5.104 0.730 270 HB3 LEU 463 HB1 LEU 463 -3.313 5.756 0.683 271 HG LEU 463 HG LEU 463 -2.840 6.644 -1.590 272 HD11 LEU 463 HD11 LEU 463 -0.891 5.783 -2.799 273 HD12 LEU 463 HD12 LEU 463 -0.293 5.053 -1.309 274 HD13 LEU 463 HD13 LEU 463 -0.421 6.808 -1.444 275 HD21 LEU 463 HD21 LEU 463 -2.470 3.675 -1.231 276 HD22 LEU 463 HD22 LEU 463 -2.985 4.478 -2.714 277 HD23 LEU 463 HD23 LEU 463 -4.010 4.533 -1.282 278 H LYS 464 HN LYS 464 -3.765 8.233 2.126 279 HA LYS 464 HA LYS 464 -4.589 9.888 -0.142 280 HB2 LYS 464 HB2 LYS 464 -6.202 8.309 1.018 281 HB3 LYS 464 HB1 LYS 464 -6.108 9.371 2.417 282 HG2 LYS 464 HG2 LYS 464 -6.802 11.231 0.774 283 HG3 LYS 464 HG1 LYS 464 -7.298 9.900 -0.274 284 HD2 LYS 464 HD2 LYS 464 -9.253 10.233 0.852 285 HD3 LYS 464 HD1 LYS 464 -8.487 9.079 1.945 286 HE2 LYS 464 HE2 LYS 464 -8.490 12.083 2.236 287 HE3 LYS 464 HE1 LYS 464 -9.447 10.946 3.182 288 HZ1 LYS 464 HZ1 LYS 464 -7.431 10.041 4.119 289 HZ2 LYS 464 HZ2 LYS 464 -7.454 11.721 4.352 290 HZ3 LYS 464 HZ3 LYS 464 -6.475 11.048 3.145 Start of MODEL 3 1 H1 GLY 428 HT1 GLY 428 6.463 13.694 7.654 2 H2 GLY 428 HT2 GLY 428 7.483 14.910 8.249 3 H3 GLY 428 HT3 GLY 428 7.486 13.373 8.969 4 HA2 GLY 428 HA1 GLY 428 9.430 13.675 7.562 5 HA3 GLY 428 HA2 GLY 428 8.386 12.385 6.976 6 H ALA 429 HN ALA 429 9.881 13.090 5.063 7 HA ALA 429 HA ALA 429 9.069 15.401 3.591 8 HB1 ALA 429 HB1 ALA 429 10.519 12.926 2.653 9 HB2 ALA 429 HB2 ALA 429 11.276 14.387 3.292 10 HB3 ALA 429 HB3 ALA 429 10.389 14.446 1.768 11 H THR 430 HN THR 430 7.718 15.522 1.780 12 HA THR 430 HA THR 430 5.512 13.673 1.890 13 HB THR 430 HB THR 430 4.556 15.264 0.124 14 HG1 THR 430 HG1 THR 430 6.114 16.506 -0.657 15 HG21 THR 430 HG21 THR 430 5.329 16.331 2.842 16 HG22 THR 430 HG22 THR 430 3.913 15.348 2.474 17 HG23 THR 430 HG23 THR 430 4.050 16.977 1.815 18 H ALA 431 HN ALA 431 8.156 12.865 0.695 19 HA ALA 431 HA ALA 431 7.372 12.234 -2.040 20 HB1 ALA 431 HB1 ALA 431 9.699 12.897 -1.624 21 HB2 ALA 431 HB2 ALA 431 9.596 11.252 -2.254 22 HB3 ALA 431 HB3 ALA 431 9.891 11.521 -0.537 23 H VAL 432 HN VAL 432 5.724 10.774 -1.888 24 HA VAL 432 HA VAL 432 5.840 8.685 0.114 25 HB VAL 432 HB VAL 432 3.695 9.078 -1.972 26 HG11 VAL 432 HG11 VAL 432 3.660 6.911 -0.865 27 HG12 VAL 432 HG12 VAL 432 2.289 7.897 -0.353 28 HG13 VAL 432 HG13 VAL 432 3.682 7.703 0.711 29 HG21 VAL 432 HG21 VAL 432 3.960 11.145 -0.706 30 HG22 VAL 432 HG22 VAL 432 3.851 10.243 0.806 31 HG23 VAL 432 HG23 VAL 432 2.458 10.329 -0.271 32 H SER 433 HN SER 433 7.759 7.723 -0.860 33 HA SER 433 HA SER 433 7.071 5.866 -3.027 34 HB2 SER 433 HB2 SER 433 9.761 6.483 -1.771 35 HB3 SER 433 HB1 SER 433 9.486 5.434 -3.164 36 HG SER 433 HG SER 433 8.533 7.343 -4.191 37 H GLU 434 HN GLU 434 6.725 6.056 0.144 38 HA GLU 434 HA GLU 434 7.888 3.582 1.029 39 HB2 GLU 434 HB2 GLU 434 5.824 5.283 2.436 40 HB3 GLU 434 HB1 GLU 434 6.873 4.073 3.162 41 HG2 GLU 434 HG2 GLU 434 7.811 6.634 1.890 42 HG3 GLU 434 HG1 GLU 434 7.594 6.376 3.620 43 H TRP 435 HN TRP 435 4.934 4.565 -0.405 44 HA TRP 435 HA TRP 435 3.687 1.994 0.287 45 HB2 TRP 435 HB2 TRP 435 2.476 4.662 -0.425 46 HB3 TRP 435 HB1 TRP 435 1.546 3.169 -0.484 47 HD1 TRP 435 HD1 TRP 435 2.354 5.912 1.812 48 HE1 TRP 435 HE1 TRP 435 1.740 5.297 4.240 49 HE3 TRP 435 HE3 TRP 435 1.681 0.880 1.206 50 HZ2 TRP 435 HZ2 TRP 435 1.077 2.968 5.696 51 HZ3 TRP 435 HZ3 TRP 435 1.055 -0.472 3.166 52 HH2 TRP 435 HH2 TRP 435 0.761 0.555 5.363 53 H THR 436 HN THR 436 3.813 0.543 -1.266 54 HA THR 436 HA THR 436 3.645 1.475 -4.060 55 HB THR 436 HB THR 436 5.070 -1.036 -3.177 56 HG1 THR 436 HG1 THR 436 5.967 1.026 -2.325 57 HG21 THR 436 HG21 THR 436 5.218 0.625 -5.701 58 HG22 THR 436 HG22 THR 436 4.417 -0.938 -5.535 59 HG23 THR 436 HG23 THR 436 6.169 -0.822 -5.366 60 H GLU 437 HN GLU 437 1.771 0.885 -4.959 61 HA GLU 437 HA GLU 437 0.278 -1.349 -3.843 62 HB2 GLU 437 HB2 GLU 437 -1.539 -0.574 -5.358 63 HB3 GLU 437 HB1 GLU 437 -0.994 0.655 -4.230 64 HG2 GLU 437 HG2 GLU 437 0.177 1.818 -5.926 65 HG3 GLU 437 HG1 GLU 437 -0.020 0.489 -7.067 66 H TYR 438 HN TYR 438 0.319 -3.317 -4.680 67 HA TYR 438 HA TYR 438 1.206 -3.629 -7.467 68 HB2 TYR 438 HB2 TYR 438 1.267 -5.604 -5.176 69 HB3 TYR 438 HB1 TYR 438 1.711 -5.990 -6.835 70 HD1 TYR 438 HD1 TYR 438 3.744 -4.995 -7.837 71 HD2 TYR 438 HD2 TYR 438 2.773 -4.417 -3.733 72 HE1 TYR 438 HE1 TYR 438 6.057 -4.288 -7.394 73 HE2 TYR 438 HE2 TYR 438 5.085 -3.709 -3.284 74 HH TYR 438 HH TYR 438 7.313 -2.989 -5.781 75 H LYS 439 HN LYS 439 -0.381 -3.919 -8.834 76 HA LYS 439 HA LYS 439 -2.938 -5.010 -7.967 77 HB2 LYS 439 HB2 LYS 439 -3.056 -2.999 -9.287 78 HB3 LYS 439 HB1 LYS 439 -2.016 -3.687 -10.523 79 HG2 LYS 439 HG2 LYS 439 -4.186 -3.744 -11.407 80 HG3 LYS 439 HG1 LYS 439 -3.828 -5.400 -10.920 81 HD2 LYS 439 HD2 LYS 439 -5.965 -5.131 -10.111 82 HD3 LYS 439 HD1 LYS 439 -5.000 -4.702 -8.699 83 HE2 LYS 439 HE2 LYS 439 -6.067 -2.684 -10.667 84 HE3 LYS 439 HE1 LYS 439 -6.926 -3.159 -9.205 85 HZ1 LYS 439 HZ1 LYS 439 -4.226 -1.912 -9.295 86 HZ2 LYS 439 HZ2 LYS 439 -5.068 -2.358 -7.891 87 HZ3 LYS 439 HZ3 LYS 439 -5.669 -1.125 -8.887 88 H THR 440 HN THR 440 -3.418 -7.093 -8.241 89 HA THR 440 HA THR 440 -1.803 -8.717 -10.032 90 HB THR 440 HB THR 440 -2.930 -10.639 -9.084 91 HG1 THR 440 HG1 THR 440 -4.838 -10.464 -8.228 92 HG21 THR 440 HG21 THR 440 -1.081 -9.694 -7.795 93 HG22 THR 440 HG22 THR 440 -2.297 -10.396 -6.727 94 HG23 THR 440 HG23 THR 440 -2.208 -8.646 -6.933 95 H ALA 441 HN ALA 441 -2.694 -10.011 -11.684 96 HA ALA 441 HA ALA 441 -4.399 -8.651 -13.427 97 HB1 ALA 441 HB1 ALA 441 -2.741 -10.305 -14.147 98 HB2 ALA 441 HB2 ALA 441 -4.341 -10.650 -14.803 99 HB3 ALA 441 HB3 ALA 441 -3.724 -11.588 -13.444 100 H ASP 442 HN ASP 442 -5.127 -10.992 -10.938 101 HA ASP 442 HA ASP 442 -7.803 -11.486 -11.931 102 HB2 ASP 442 HB2 ASP 442 -8.041 -12.964 -10.010 103 HB3 ASP 442 HB1 ASP 442 -6.529 -13.292 -10.848 104 H GLY 443 HN GLY 443 -6.489 -8.913 -10.418 105 HA2 GLY 443 HA2 GLY 443 -7.783 -7.012 -9.950 106 HA3 GLY 443 HA1 GLY 443 -9.179 -8.047 -9.715 107 H LYS 444 HN LYS 444 -6.003 -8.239 -8.135 108 HA LYS 444 HA LYS 444 -7.279 -7.322 -5.648 109 HB2 LYS 444 HB2 LYS 444 -5.382 -9.659 -5.957 110 HB3 LYS 444 HB1 LYS 444 -5.864 -8.972 -4.411 111 HG2 LYS 444 HG2 LYS 444 -8.174 -9.582 -4.833 112 HG3 LYS 444 HG1 LYS 444 -7.736 -10.206 -6.423 113 HD2 LYS 444 HD2 LYS 444 -6.289 -11.876 -5.352 114 HD3 LYS 444 HD1 LYS 444 -6.765 -11.260 -3.769 115 HE2 LYS 444 HE2 LYS 444 -8.023 -13.276 -4.387 116 HE3 LYS 444 HE1 LYS 444 -9.074 -11.873 -4.196 117 HZ1 LYS 444 HZ1 LYS 444 -8.034 -12.721 -6.840 118 HZ2 LYS 444 HZ2 LYS 444 -9.334 -11.679 -6.504 119 HZ3 LYS 444 HZ3 LYS 444 -9.479 -13.335 -6.196 120 H THR 445 HN THR 445 -6.184 -5.735 -4.652 121 HA THR 445 HA THR 445 -3.428 -5.232 -5.556 122 HB THR 445 HB THR 445 -5.381 -3.131 -4.614 123 HG1 THR 445 HG1 THR 445 -6.151 -3.962 -6.560 124 HG21 THR 445 HG21 THR 445 -3.018 -2.538 -4.382 125 HG22 THR 445 HG22 THR 445 -3.783 -1.587 -5.657 126 HG23 THR 445 HG23 THR 445 -2.743 -2.949 -6.075 127 H TYR 446 HN TYR 446 -2.063 -5.757 -3.973 128 HA TYR 446 HA TYR 446 -2.813 -5.089 -1.221 129 HB2 TYR 446 HB2 TYR 446 -0.910 -6.513 -0.531 130 HB3 TYR 446 HB1 TYR 446 -2.103 -7.389 -1.476 131 HD1 TYR 446 HD1 TYR 446 -1.571 -8.125 -3.766 132 HD2 TYR 446 HD2 TYR 446 1.338 -6.215 -1.321 133 HE1 TYR 446 HE1 TYR 446 0.210 -8.955 -5.244 134 HE2 TYR 446 HE2 TYR 446 3.123 -7.028 -2.799 135 HH TYR 446 HH TYR 446 2.441 -8.562 -5.842 136 H TYR 447 HN TYR 447 -1.900 -3.479 -0.182 137 HA TYR 447 HA TYR 447 -0.003 -1.807 -1.622 138 HB2 TYR 447 HB2 TYR 447 -1.564 -1.355 0.935 139 HB3 TYR 447 HB1 TYR 447 -0.508 -0.161 0.185 140 HD1 TYR 447 HD1 TYR 447 -1.175 0.985 -1.849 141 HD2 TYR 447 HD2 TYR 447 -3.703 -1.940 -0.075 142 HE1 TYR 447 HE1 TYR 447 -3.029 1.724 -3.283 143 HE2 TYR 447 HE2 TYR 447 -5.568 -1.198 -1.496 144 HH TYR 447 HH TYR 447 -6.292 0.451 -2.888 145 H TYR 448 HN TYR 448 2.084 -2.098 -1.315 146 HA TYR 448 HA TYR 448 2.967 -3.428 1.137 147 HB2 TYR 448 HB2 TYR 448 3.559 -4.268 -1.216 148 HB3 TYR 448 HB1 TYR 448 4.647 -2.888 -1.302 149 HD1 TYR 448 HD1 TYR 448 3.931 -5.999 0.579 150 HD2 TYR 448 HD2 TYR 448 6.775 -2.952 -0.268 151 HE1 TYR 448 HE1 TYR 448 5.664 -7.307 1.729 152 HE2 TYR 448 HE2 TYR 448 8.518 -4.254 0.878 153 HH TYR 448 HH TYR 448 8.100 -7.515 1.759 154 H ASN 449 HN ASN 449 3.755 -2.256 2.699 155 HA ASN 449 HA ASN 449 4.789 0.424 2.215 156 HB2 ASN 449 HB2 ASN 449 3.321 0.175 4.128 157 HB3 ASN 449 HB1 ASN 449 4.298 -1.148 4.758 158 HD21 ASN 449 HD21 ASN 449 4.068 2.295 4.323 159 HD22 ASN 449 HD22 ASN 449 5.339 2.710 5.420 160 H ASN 450 HN ASN 450 6.834 0.626 1.660 161 HA ASN 450 HA ASN 450 8.668 -1.568 1.900 162 HB2 ASN 450 HB2 ASN 450 9.097 1.251 0.892 163 HB3 ASN 450 HB1 ASN 450 10.274 -0.050 0.765 164 HD21 ASN 450 HD21 ASN 450 9.002 1.515 -1.320 165 HD22 ASN 450 HD22 ASN 450 8.192 0.384 -2.349 166 H ARG 451 HN ARG 451 7.766 0.720 4.093 167 HA ARG 451 HA ARG 451 10.404 1.340 5.117 168 HB2 ARG 451 HB2 ARG 451 8.483 2.974 5.119 169 HB3 ARG 451 HB1 ARG 451 7.731 1.988 6.364 170 HG2 ARG 451 HG2 ARG 451 8.799 3.802 7.451 171 HG3 ARG 451 HG1 ARG 451 9.770 2.365 7.771 172 HD2 ARG 451 HD2 ARG 451 10.371 4.314 5.555 173 HD3 ARG 451 HD1 ARG 451 11.055 4.453 7.174 174 HE ARG 451 HE ARG 451 12.018 2.179 6.747 175 HH11 ARG 451 HH11 ARG 451 11.198 4.298 4.062 176 HH12 ARG 451 HH12 ARG 451 12.425 3.631 3.020 177 HH21 ARG 451 HH21 ARG 451 13.580 1.288 5.366 178 HH22 ARG 451 HH22 ARG 451 13.755 1.907 3.747 179 H THR 452 HN THR 452 7.624 -0.632 6.006 180 HA THR 452 HA THR 452 9.294 -1.923 8.065 181 HB THR 452 HB THR 452 6.278 -1.751 8.172 182 HG1 THR 452 HG1 THR 452 6.496 0.234 8.852 183 HG21 THR 452 HG21 THR 452 6.612 -2.251 10.549 184 HG22 THR 452 HG22 THR 452 8.356 -2.311 10.299 185 HG23 THR 452 HG23 THR 452 7.313 -3.512 9.537 186 H LEU 453 HN LEU 453 8.033 -2.330 5.090 187 HA LEU 453 HA LEU 453 7.783 -4.107 3.705 188 HB2 LEU 453 HB2 LEU 453 8.846 -5.718 6.032 189 HB3 LEU 453 HB1 LEU 453 8.710 -6.280 4.376 190 HG LEU 453 HG LEU 453 10.541 -4.111 5.405 191 HD11 LEU 453 HD11 LEU 453 11.102 -6.804 4.180 192 HD12 LEU 453 HD12 LEU 453 11.295 -6.370 5.878 193 HD13 LEU 453 HD13 LEU 453 12.311 -5.610 4.653 194 HD21 LEU 453 HD21 LEU 453 9.680 -3.479 3.218 195 HD22 LEU 453 HD22 LEU 453 10.116 -5.062 2.575 196 HD23 LEU 453 HD23 LEU 453 11.377 -3.949 3.108 197 H GLU 454 HN GLU 454 5.638 -3.208 5.392 198 HA GLU 454 HA GLU 454 4.154 -5.632 6.094 199 HB2 GLU 454 HB2 GLU 454 3.637 -2.701 6.575 200 HB3 GLU 454 HB1 GLU 454 2.449 -3.944 6.932 201 HG2 GLU 454 HG2 GLU 454 4.064 -4.996 8.471 202 HG3 GLU 454 HG1 GLU 454 5.179 -3.662 8.165 203 H SER 455 HN SER 455 2.353 -6.322 5.023 204 HA SER 455 HA SER 455 1.599 -4.782 2.627 205 HB2 SER 455 HB2 SER 455 2.556 -7.036 2.185 206 HB3 SER 455 HB1 SER 455 1.248 -7.749 3.127 207 HG SER 455 HG SER 455 0.846 -6.117 0.842 208 H TYR 456 HN TYR 456 -0.262 -3.753 2.799 209 HA TYR 456 HA TYR 456 -2.382 -4.906 4.498 210 HB2 TYR 456 HB2 TYR 456 -1.959 -2.031 3.648 211 HB3 TYR 456 HB1 TYR 456 -3.337 -2.613 4.573 212 HD1 TYR 456 HD1 TYR 456 -1.745 -4.510 6.396 213 HD2 TYR 456 HD2 TYR 456 -1.138 -0.469 5.199 214 HE1 TYR 456 HE1 TYR 456 -0.519 -4.077 8.490 215 HE2 TYR 456 HE2 TYR 456 0.089 -0.028 7.285 216 HH TYR 456 HH TYR 456 1.212 -2.472 9.322 217 H TRP 457 HN TRP 457 -4.369 -5.307 3.603 218 HA TRP 457 HA TRP 457 -4.532 -5.120 0.702 219 HB2 TRP 457 HB2 TRP 457 -6.432 -6.346 2.712 220 HB3 TRP 457 HB1 TRP 457 -6.649 -6.394 0.964 221 HD1 TRP 457 HD1 TRP 457 -4.565 -7.930 3.763 222 HE1 TRP 457 HE1 TRP 457 -3.303 -9.976 2.836 223 HE3 TRP 457 HE3 TRP 457 -5.629 -7.343 -1.205 224 HZ2 TRP 457 HZ2 TRP 457 -2.817 -11.167 0.315 225 HZ3 TRP 457 HZ3 TRP 457 -4.719 -8.973 -2.807 226 HH2 TRP 457 HH2 TRP 457 -3.342 -10.843 -2.061 227 H GLU 458 HN GLU 458 -5.169 -3.106 3.182 228 HA GLU 458 HA GLU 458 -7.350 -1.757 1.737 229 HB2 GLU 458 HB2 GLU 458 -8.005 -2.505 3.997 230 HB3 GLU 458 HB1 GLU 458 -6.663 -1.602 4.684 231 HG2 GLU 458 HG2 GLU 458 -8.853 -0.472 4.910 232 HG3 GLU 458 HG1 GLU 458 -7.648 0.481 4.043 233 H LYS 459 HN LYS 459 -7.127 0.430 1.316 234 HA LYS 459 HA LYS 459 -4.417 1.336 1.054 235 HB2 LYS 459 HB2 LYS 459 -6.064 1.820 -0.680 236 HB3 LYS 459 HB1 LYS 459 -7.029 2.743 0.463 237 HG2 LYS 459 HG2 LYS 459 -5.078 4.296 0.718 238 HG3 LYS 459 HG1 LYS 459 -4.302 3.431 -0.609 239 HD2 LYS 459 HD2 LYS 459 -6.992 4.780 -0.783 240 HD3 LYS 459 HD1 LYS 459 -5.475 5.500 -1.323 241 HE2 LYS 459 HE2 LYS 459 -6.449 2.848 -2.349 242 HE3 LYS 459 HE1 LYS 459 -6.928 4.372 -3.092 243 HZ1 LYS 459 HZ1 LYS 459 -5.002 3.305 -4.168 244 HZ2 LYS 459 HZ2 LYS 459 -4.114 3.503 -2.742 245 HZ3 LYS 459 HZ3 LYS 459 -4.659 4.861 -3.592 246 HA PRO 460 HA PRO 460 -4.208 3.306 5.062 247 HB2 PRO 460 HB2 PRO 460 -1.881 4.649 4.524 248 HB3 PRO 460 HB1 PRO 460 -1.940 2.950 5.007 249 HG2 PRO 460 HG2 PRO 460 -1.719 4.129 2.260 250 HG3 PRO 460 HG1 PRO 460 -0.817 2.776 2.971 251 HD2 PRO 460 HD2 PRO 460 -2.867 2.340 1.324 252 HD3 PRO 460 HD1 PRO 460 -2.602 1.308 2.746 253 H GLN 461 HN GLN 461 -4.544 5.408 5.869 254 HA GLN 461 HA GLN 461 -5.923 7.033 3.892 255 HB2 GLN 461 HB2 GLN 461 -6.861 6.279 6.184 256 HB3 GLN 461 HB1 GLN 461 -5.906 7.608 6.832 257 HG2 GLN 461 HG2 GLN 461 -7.074 9.121 5.224 258 HG3 GLN 461 HG1 GLN 461 -8.130 7.771 4.816 259 HE21 GLN 461 HE21 GLN 461 -8.764 10.338 5.950 260 HE22 GLN 461 HE22 GLN 461 -9.551 10.036 7.464 261 H GLU 462 HN GLU 462 -2.878 7.067 5.334 262 HA GLU 462 HA GLU 462 -2.655 9.965 5.206 263 HB2 GLU 462 HB2 GLU 462 -0.110 9.237 5.615 264 HB3 GLU 462 HB1 GLU 462 -1.274 9.418 6.914 265 HG2 GLU 462 HG2 GLU 462 -0.129 7.415 7.324 266 HG3 GLU 462 HG1 GLU 462 -1.713 6.950 6.710 267 H LEU 463 HN LEU 463 -2.370 7.322 3.172 268 HA LEU 463 HA LEU 463 -0.686 8.573 1.207 269 HB2 LEU 463 HB2 LEU 463 -0.833 6.142 1.340 270 HB3 LEU 463 HB1 LEU 463 -2.560 6.207 1.052 271 HG LEU 463 HG LEU 463 -2.137 7.067 -1.225 272 HD11 LEU 463 HD11 LEU 463 0.126 7.009 -2.137 273 HD12 LEU 463 HD12 LEU 463 0.762 6.598 -0.545 274 HD13 LEU 463 HD13 LEU 463 -0.001 8.166 -0.812 275 HD21 LEU 463 HD21 LEU 463 -2.426 4.676 -0.848 276 HD22 LEU 463 HD22 LEU 463 -0.696 4.500 -0.562 277 HD23 LEU 463 HD23 LEU 463 -1.283 4.974 -2.157 278 H LYS 464 HN LYS 464 -4.063 8.461 2.014 279 HA LYS 464 HA LYS 464 -4.669 10.130 -0.331 280 HB2 LYS 464 HB2 LYS 464 -7.031 9.311 -0.076 281 HB3 LYS 464 HB1 LYS 464 -5.872 8.088 -0.571 282 HG2 LYS 464 HG2 LYS 464 -5.877 7.077 1.562 283 HG3 LYS 464 HG1 LYS 464 -6.714 8.452 2.287 284 HD2 LYS 464 HD2 LYS 464 -7.868 6.575 0.226 285 HD3 LYS 464 HD1 LYS 464 -8.227 6.558 1.955 286 HE2 LYS 464 HE2 LYS 464 -8.814 8.791 0.012 287 HE3 LYS 464 HE1 LYS 464 -9.992 7.713 0.761 288 HZ1 LYS 464 HZ1 LYS 464 -8.224 9.524 2.308 289 HZ2 LYS 464 HZ2 LYS 464 -9.568 8.653 2.879 290 HZ3 LYS 464 HZ3 LYS 464 -9.784 9.951 1.809 Start of MODEL 4 1 H1 GLY 428 HT1 GLY 428 15.167 14.524 0.135 2 H2 GLY 428 HT2 GLY 428 14.129 15.419 1.131 3 H3 GLY 428 HT3 GLY 428 13.702 15.107 -0.480 4 HA2 GLY 428 HA1 GLY 428 13.516 12.762 -0.031 5 HA3 GLY 428 HA2 GLY 428 14.024 13.047 1.628 6 H ALA 429 HN ALA 429 11.645 11.761 1.037 7 HA ALA 429 HA ALA 429 9.756 13.477 2.368 8 HB1 ALA 429 HB1 ALA 429 8.005 13.332 0.675 9 HB2 ALA 429 HB2 ALA 429 9.111 12.493 -0.414 10 HB3 ALA 429 HB3 ALA 429 9.421 14.169 0.041 11 H THR 430 HN THR 430 8.217 12.311 3.458 12 HA THR 430 HA THR 430 8.443 9.391 3.264 13 HB THR 430 HB THR 430 8.888 10.376 5.495 14 HG1 THR 430 HG1 THR 430 7.488 8.286 5.004 15 HG21 THR 430 HG21 THR 430 7.039 11.338 6.797 16 HG22 THR 430 HG22 THR 430 6.007 11.267 5.368 17 HG23 THR 430 HG23 THR 430 7.425 12.315 5.379 18 H ALA 431 HN ALA 431 6.481 8.132 3.424 19 HA ALA 431 HA ALA 431 4.394 7.518 2.802 20 HB1 ALA 431 HB1 ALA 431 3.574 9.286 4.290 21 HB2 ALA 431 HB2 ALA 431 2.545 9.087 2.873 22 HB3 ALA 431 HB3 ALA 431 3.669 10.442 2.963 23 H VAL 432 HN VAL 432 2.824 7.701 0.989 24 HA VAL 432 HA VAL 432 2.294 7.799 -1.197 25 HB VAL 432 HB VAL 432 4.242 10.110 -1.316 26 HG11 VAL 432 HG11 VAL 432 2.158 9.242 -3.318 27 HG12 VAL 432 HG12 VAL 432 3.904 9.123 -3.528 28 HG13 VAL 432 HG13 VAL 432 3.136 10.707 -3.413 29 HG21 VAL 432 HG21 VAL 432 1.236 10.041 -1.074 30 HG22 VAL 432 HG22 VAL 432 2.216 11.495 -1.265 31 HG23 VAL 432 HG23 VAL 432 2.372 10.510 0.190 32 H SER 433 HN SER 433 5.822 8.491 -1.151 33 HA SER 433 HA SER 433 6.139 6.829 -3.497 34 HB2 SER 433 HB2 SER 433 7.346 8.990 -3.242 35 HB3 SER 433 HB1 SER 433 8.236 8.303 -1.886 36 HG SER 433 HG SER 433 8.239 7.030 -4.401 37 H GLU 434 HN GLU 434 6.191 6.295 -0.170 38 HA GLU 434 HA GLU 434 8.130 4.123 -0.350 39 HB2 GLU 434 HB2 GLU 434 7.871 3.963 2.104 40 HB3 GLU 434 HB1 GLU 434 8.375 5.560 1.572 41 HG2 GLU 434 HG2 GLU 434 6.116 6.392 1.849 42 HG3 GLU 434 HG1 GLU 434 5.567 4.782 2.321 43 H TRP 435 HN TRP 435 4.952 4.486 -0.981 44 HA TRP 435 HA TRP 435 4.164 1.877 0.093 45 HB2 TRP 435 HB2 TRP 435 2.496 3.989 -1.297 46 HB3 TRP 435 HB1 TRP 435 1.881 2.481 -0.634 47 HD1 TRP 435 HD1 TRP 435 2.592 6.021 0.291 48 HE1 TRP 435 HE1 TRP 435 2.137 6.389 2.799 49 HE3 TRP 435 HE3 TRP 435 2.122 1.146 1.760 50 HZ2 TRP 435 HZ2 TRP 435 1.652 4.825 5.090 51 HZ3 TRP 435 HZ3 TRP 435 1.660 0.671 4.129 52 HH2 TRP 435 HH2 TRP 435 1.433 2.478 5.760 53 H THR 436 HN THR 436 4.796 0.254 -1.189 54 HA THR 436 HA THR 436 4.798 0.622 -4.087 55 HB THR 436 HB THR 436 5.734 -1.759 -2.467 56 HG1 THR 436 HG1 THR 436 7.033 0.599 -3.360 57 HG21 THR 436 HG21 THR 436 6.962 -2.353 -4.504 58 HG22 THR 436 HG22 THR 436 6.268 -0.961 -5.333 59 HG23 THR 436 HG23 THR 436 5.226 -2.283 -4.809 60 H GLU 437 HN GLU 437 2.923 0.237 -5.084 61 HA GLU 437 HA GLU 437 1.010 -1.597 -3.897 62 HB2 GLU 437 HB2 GLU 437 -0.600 -0.684 -5.377 63 HB3 GLU 437 HB1 GLU 437 0.353 0.670 -4.807 64 HG2 GLU 437 HG2 GLU 437 0.832 1.254 -6.884 65 HG3 GLU 437 HG1 GLU 437 1.504 -0.342 -7.218 66 H TYR 438 HN TYR 438 0.462 -3.541 -4.690 67 HA TYR 438 HA TYR 438 1.692 -4.354 -7.237 68 HB2 TYR 438 HB2 TYR 438 0.920 -6.076 -4.872 69 HB3 TYR 438 HB1 TYR 438 1.543 -6.682 -6.402 70 HD1 TYR 438 HD1 TYR 438 3.889 -5.999 -7.100 71 HD2 TYR 438 HD2 TYR 438 2.377 -5.377 -3.174 72 HE1 TYR 438 HE1 TYR 438 6.186 -5.777 -6.254 73 HE2 TYR 438 HE2 TYR 438 4.670 -5.158 -2.320 74 HH TYR 438 HH TYR 438 6.939 -5.838 -2.947 75 H LYS 439 HN LYS 439 0.310 -4.459 -8.815 76 HA LYS 439 HA LYS 439 -2.545 -4.668 -8.263 77 HB2 LYS 439 HB2 LYS 439 -1.713 -2.877 -9.751 78 HB3 LYS 439 HB1 LYS 439 -1.072 -4.095 -10.843 79 HG2 LYS 439 HG2 LYS 439 -3.079 -3.389 -11.807 80 HG3 LYS 439 HG1 LYS 439 -3.438 -4.949 -11.071 81 HD2 LYS 439 HD2 LYS 439 -5.256 -3.519 -10.557 82 HD3 LYS 439 HD1 LYS 439 -4.313 -3.680 -9.076 83 HE2 LYS 439 HE2 LYS 439 -3.825 -1.394 -10.952 84 HE3 LYS 439 HE1 LYS 439 -5.165 -1.336 -9.810 85 HZ1 LYS 439 HZ1 LYS 439 -3.174 -0.278 -8.925 86 HZ2 LYS 439 HZ2 LYS 439 -2.302 -1.717 -9.082 87 HZ3 LYS 439 HZ3 LYS 439 -3.606 -1.628 -8.002 88 H THR 440 HN THR 440 -3.374 -6.654 -8.190 89 HA THR 440 HA THR 440 -2.128 -8.817 -9.682 90 HB THR 440 HB THR 440 -3.843 -10.239 -8.507 91 HG1 THR 440 HG1 THR 440 -5.397 -9.254 -7.474 92 HG21 THR 440 HG21 THR 440 -2.753 -10.090 -6.312 93 HG22 THR 440 HG22 THR 440 -2.066 -8.530 -6.762 94 HG23 THR 440 HG23 THR 440 -1.576 -9.990 -7.622 95 H ALA 441 HN ALA 441 -3.262 -10.154 -11.142 96 HA ALA 441 HA ALA 441 -4.721 -8.795 -13.091 97 HB1 ALA 441 HB1 ALA 441 -5.086 -10.966 -14.115 98 HB2 ALA 441 HB2 ALA 441 -4.637 -11.770 -12.611 99 HB3 ALA 441 HB3 ALA 441 -3.435 -10.842 -13.509 100 H ASP 442 HN ASP 442 -5.827 -10.541 -10.273 101 HA ASP 442 HA ASP 442 -8.557 -10.702 -11.123 102 HB2 ASP 442 HB2 ASP 442 -8.964 -11.315 -8.686 103 HB3 ASP 442 HB1 ASP 442 -7.922 -12.387 -9.609 104 H GLY 443 HN GLY 443 -6.733 -8.123 -10.154 105 HA2 GLY 443 HA2 GLY 443 -7.578 -5.933 -10.199 106 HA3 GLY 443 HA1 GLY 443 -9.179 -6.566 -9.863 107 H LYS 444 HN LYS 444 -6.378 -7.422 -7.931 108 HA LYS 444 HA LYS 444 -7.487 -5.795 -5.741 109 HB2 LYS 444 HB2 LYS 444 -5.725 -8.250 -5.661 110 HB3 LYS 444 HB1 LYS 444 -6.151 -7.295 -4.249 111 HG2 LYS 444 HG2 LYS 444 -8.513 -7.812 -4.615 112 HG3 LYS 444 HG1 LYS 444 -8.070 -8.784 -6.022 113 HD2 LYS 444 HD2 LYS 444 -6.786 -10.283 -4.622 114 HD3 LYS 444 HD1 LYS 444 -7.107 -9.280 -3.208 115 HE2 LYS 444 HE2 LYS 444 -9.163 -10.772 -4.831 116 HE3 LYS 444 HE1 LYS 444 -8.550 -11.246 -3.247 117 HZ1 LYS 444 HZ1 LYS 444 -10.270 -8.945 -3.941 118 HZ2 LYS 444 HZ2 LYS 444 -9.394 -8.978 -2.491 119 HZ3 LYS 444 HZ3 LYS 444 -10.550 -10.174 -2.805 120 H THR 445 HN THR 445 -6.270 -4.226 -4.843 121 HA THR 445 HA THR 445 -3.481 -3.992 -5.762 122 HB THR 445 HB THR 445 -5.325 -1.731 -4.950 123 HG1 THR 445 HG1 THR 445 -6.052 -2.516 -6.905 124 HG21 THR 445 HG21 THR 445 -2.952 -1.253 -4.608 125 HG22 THR 445 HG22 THR 445 -3.604 -0.302 -5.944 126 HG23 THR 445 HG23 THR 445 -2.614 -1.725 -6.275 127 H TYR 446 HN TYR 446 -2.452 -4.982 -4.032 128 HA TYR 446 HA TYR 446 -3.074 -3.918 -1.372 129 HB2 TYR 446 HB2 TYR 446 -1.917 -5.822 -0.430 130 HB3 TYR 446 HB1 TYR 446 -3.114 -6.377 -1.584 131 HD1 TYR 446 HD1 TYR 446 -2.359 -7.267 -3.795 132 HD2 TYR 446 HD2 TYR 446 0.378 -6.324 -0.679 133 HE1 TYR 446 HE1 TYR 446 -0.654 -8.676 -4.873 134 HE2 TYR 446 HE2 TYR 446 2.094 -7.719 -1.750 135 HH TYR 446 HH TYR 446 1.775 -8.918 -4.927 136 H TYR 447 HN TYR 447 -1.602 -2.889 -0.140 137 HA TYR 447 HA TYR 447 0.650 -1.775 -1.667 138 HB2 TYR 447 HB2 TYR 447 -0.872 -0.637 0.687 139 HB3 TYR 447 HB1 TYR 447 0.451 0.166 -0.152 140 HD1 TYR 447 HD1 TYR 447 0.123 1.116 -2.367 141 HD2 TYR 447 HD2 TYR 447 -3.072 -0.814 -0.325 142 HE1 TYR 447 HE1 TYR 447 -1.479 2.111 -3.942 143 HE2 TYR 447 HE2 TYR 447 -4.683 0.176 -1.898 144 HH TYR 447 HH TYR 447 -3.759 1.648 -4.797 145 H TYR 448 HN TYR 448 2.651 -2.163 -1.041 146 HA TYR 448 HA TYR 448 3.091 -3.346 1.613 147 HB2 TYR 448 HB2 TYR 448 3.758 -4.774 -0.241 148 HB3 TYR 448 HB1 TYR 448 4.739 -3.476 -0.915 149 HD1 TYR 448 HD1 TYR 448 4.405 -5.398 2.279 150 HD2 TYR 448 HD2 TYR 448 7.003 -3.554 -0.539 151 HE1 TYR 448 HE1 TYR 448 6.350 -6.224 3.537 152 HE2 TYR 448 HE2 TYR 448 8.954 -4.371 0.712 153 HH TYR 448 HH TYR 448 9.535 -5.123 2.934 154 H ASN 449 HN ASN 449 4.034 -2.139 3.110 155 HA ASN 449 HA ASN 449 5.513 0.256 2.320 156 HB2 ASN 449 HB2 ASN 449 3.871 0.397 4.181 157 HB3 ASN 449 HB1 ASN 449 4.843 -0.750 5.095 158 HD21 ASN 449 HD21 ASN 449 4.616 2.489 3.882 159 HD22 ASN 449 HD22 ASN 449 5.914 3.161 4.813 160 H ASN 450 HN ASN 450 7.611 0.151 1.999 161 HA ASN 450 HA ASN 450 8.981 -2.329 2.417 162 HB2 ASN 450 HB2 ASN 450 10.028 0.300 1.356 163 HB3 ASN 450 HB1 ASN 450 10.870 -1.242 1.271 164 HD21 ASN 450 HD21 ASN 450 8.281 0.688 0.026 165 HD22 ASN 450 HD22 ASN 450 7.924 -0.303 -1.351 166 H ARG 451 HN ARG 451 8.662 0.478 4.317 167 HA ARG 451 HA ARG 451 11.266 0.160 5.572 168 HB2 ARG 451 HB2 ARG 451 10.320 2.421 5.116 169 HB3 ARG 451 HB1 ARG 451 9.053 2.084 6.285 170 HG2 ARG 451 HG2 ARG 451 10.745 1.851 8.044 171 HG3 ARG 451 HG1 ARG 451 12.005 2.221 6.865 172 HD2 ARG 451 HD2 ARG 451 9.755 4.029 7.737 173 HD3 ARG 451 HD1 ARG 451 11.466 4.212 8.122 174 HE ARG 451 HE ARG 451 11.860 4.652 5.754 175 HH11 ARG 451 HH11 ARG 451 8.585 4.901 6.963 176 HH12 ARG 451 HH12 ARG 451 8.019 5.855 5.621 177 HH21 ARG 451 HH21 ARG 451 11.139 5.956 4.003 178 HH22 ARG 451 HH22 ARG 451 9.476 6.479 3.963 179 H THR 452 HN THR 452 7.850 -0.173 6.406 180 HA THR 452 HA THR 452 8.528 -1.165 9.051 181 HB THR 452 HB THR 452 5.761 -1.049 7.850 182 HG1 THR 452 HG1 THR 452 6.561 1.034 7.630 183 HG21 THR 452 HG21 THR 452 5.077 -0.765 10.176 184 HG22 THR 452 HG22 THR 452 6.762 -0.800 10.691 185 HG23 THR 452 HG23 THR 452 6.023 -2.240 9.987 186 H LEU 453 HN LEU 453 8.056 -2.393 5.932 187 HA LEU 453 HA LEU 453 8.125 -4.489 5.067 188 HB2 LEU 453 HB2 LEU 453 8.550 -5.374 7.923 189 HB3 LEU 453 HB1 LEU 453 8.768 -6.381 6.505 190 HG LEU 453 HG LEU 453 10.403 -3.940 7.212 191 HD11 LEU 453 HD11 LEU 453 12.217 -5.545 7.531 192 HD12 LEU 453 HD12 LEU 453 11.103 -6.872 7.206 193 HD13 LEU 453 HD13 LEU 453 10.878 -5.861 8.633 194 HD21 LEU 453 HD21 LEU 453 11.796 -4.565 5.304 195 HD22 LEU 453 HD22 LEU 453 10.151 -4.183 4.798 196 HD23 LEU 453 HD23 LEU 453 10.673 -5.864 4.905 197 H GLU 454 HN GLU 454 5.649 -3.247 5.883 198 HA GLU 454 HA GLU 454 4.033 -5.589 6.654 199 HB2 GLU 454 HB2 GLU 454 3.388 -2.650 6.916 200 HB3 GLU 454 HB1 GLU 454 2.297 -3.962 7.337 201 HG2 GLU 454 HG2 GLU 454 4.042 -4.743 8.965 202 HG3 GLU 454 HG1 GLU 454 4.894 -3.231 8.650 203 H SER 455 HN SER 455 2.567 -6.366 5.297 204 HA SER 455 HA SER 455 2.052 -4.914 2.806 205 HB2 SER 455 HB2 SER 455 1.158 -7.248 2.117 206 HB3 SER 455 HB1 SER 455 2.903 -7.035 2.267 207 HG SER 455 HG SER 455 2.856 -8.561 3.701 208 H TYR 456 HN TYR 456 0.144 -3.923 2.587 209 HA TYR 456 HA TYR 456 -2.075 -4.762 4.334 210 HB2 TYR 456 HB2 TYR 456 -1.686 -2.153 2.853 211 HB3 TYR 456 HB1 TYR 456 -3.042 -2.540 3.901 212 HD1 TYR 456 HD1 TYR 456 -1.374 -3.922 6.084 213 HD2 TYR 456 HD2 TYR 456 -0.929 -0.248 3.989 214 HE1 TYR 456 HE1 TYR 456 -0.160 -2.984 8.009 215 HE2 TYR 456 HE2 TYR 456 0.294 0.698 5.905 216 HH TYR 456 HH TYR 456 1.505 -1.163 8.445 217 H TRP 457 HN TRP 457 -3.713 -5.814 3.420 218 HA TRP 457 HA TRP 457 -4.057 -5.842 0.548 219 HB2 TRP 457 HB2 TRP 457 -5.578 -7.157 2.805 220 HB3 TRP 457 HB1 TRP 457 -6.033 -7.320 1.113 221 HD1 TRP 457 HD1 TRP 457 -3.404 -8.471 3.633 222 HE1 TRP 457 HE1 TRP 457 -2.055 -10.415 2.601 223 HE3 TRP 457 HE3 TRP 457 -5.239 -8.272 -1.130 224 HZ2 TRP 457 HZ2 TRP 457 -1.809 -11.678 0.086 225 HZ3 TRP 457 HZ3 TRP 457 -4.395 -9.877 -2.791 226 HH2 TRP 457 HH2 TRP 457 -2.714 -11.545 -2.193 227 H GLU 458 HN GLU 458 -4.669 -3.583 2.689 228 HA GLU 458 HA GLU 458 -7.214 -2.759 1.476 229 HB2 GLU 458 HB2 GLU 458 -7.484 -3.470 3.846 230 HB3 GLU 458 HB1 GLU 458 -6.308 -2.255 4.323 231 HG2 GLU 458 HG2 GLU 458 -8.611 -1.539 4.724 232 HG3 GLU 458 HG1 GLU 458 -7.775 -0.488 3.583 233 H LYS 459 HN LYS 459 -7.489 -0.595 1.104 234 HA LYS 459 HA LYS 459 -5.067 0.691 0.258 235 HB2 LYS 459 HB2 LYS 459 -7.094 0.600 -1.105 236 HB3 LYS 459 HB1 LYS 459 -7.958 1.547 0.095 237 HG2 LYS 459 HG2 LYS 459 -6.455 3.431 -0.336 238 HG3 LYS 459 HG1 LYS 459 -5.623 2.467 -1.562 239 HD2 LYS 459 HD2 LYS 459 -7.789 2.231 -2.761 240 HD3 LYS 459 HD1 LYS 459 -8.509 3.337 -1.588 241 HE2 LYS 459 HE2 LYS 459 -7.882 4.525 -3.611 242 HE3 LYS 459 HE1 LYS 459 -6.908 5.064 -2.243 243 HZ1 LYS 459 HZ1 LYS 459 -5.281 3.250 -3.108 244 HZ2 LYS 459 HZ2 LYS 459 -5.326 4.781 -3.844 245 HZ3 LYS 459 HZ3 LYS 459 -6.111 3.463 -4.574 246 HA PRO 460 HA PRO 460 -4.837 3.180 3.999 247 HB2 PRO 460 HB2 PRO 460 -2.384 4.164 3.558 248 HB3 PRO 460 HB1 PRO 460 -2.631 2.484 4.050 249 HG2 PRO 460 HG2 PRO 460 -2.083 3.604 1.331 250 HG3 PRO 460 HG1 PRO 460 -1.422 2.147 2.096 251 HD2 PRO 460 HD2 PRO 460 -3.486 2.134 0.287 252 HD3 PRO 460 HD1 PRO 460 -3.229 0.880 1.512 253 H GLN 461 HN GLN 461 -5.167 5.304 4.468 254 HA GLN 461 HA GLN 461 -5.936 7.036 2.302 255 HB2 GLN 461 HB2 GLN 461 -7.181 6.913 4.453 256 HB3 GLN 461 HB1 GLN 461 -5.795 7.622 5.268 257 HG2 GLN 461 HG2 GLN 461 -7.570 9.254 4.813 258 HG3 GLN 461 HG1 GLN 461 -6.051 9.667 4.016 259 HE21 GLN 461 HE21 GLN 461 -5.893 9.509 1.788 260 HE22 GLN 461 HE22 GLN 461 -7.289 9.359 0.771 261 H GLU 462 HN GLU 462 -3.049 6.340 3.789 262 HA GLU 462 HA GLU 462 -1.868 8.966 3.756 263 HB2 GLU 462 HB2 GLU 462 -0.726 6.196 4.130 264 HB3 GLU 462 HB1 GLU 462 0.265 7.644 4.152 265 HG2 GLU 462 HG2 GLU 462 -0.239 6.927 6.400 266 HG3 GLU 462 HG1 GLU 462 -1.005 8.478 6.072 267 H LEU 463 HN LEU 463 -2.958 7.463 1.276 268 HA LEU 463 HA LEU 463 -0.798 8.299 -0.489 269 HB2 LEU 463 HB2 LEU 463 -0.414 5.916 -0.164 270 HB3 LEU 463 HB1 LEU 463 -2.075 5.565 -0.593 271 HG LEU 463 HG LEU 463 -1.653 6.350 -2.885 272 HD11 LEU 463 HD11 LEU 463 0.630 6.819 -3.615 273 HD12 LEU 463 HD12 LEU 463 1.193 6.690 -1.949 274 HD13 LEU 463 HD13 LEU 463 0.089 7.986 -2.411 275 HD21 LEU 463 HD21 LEU 463 -0.240 4.499 -3.583 276 HD22 LEU 463 HD22 LEU 463 -1.350 3.990 -2.310 277 HD23 LEU 463 HD23 LEU 463 0.343 4.303 -1.930 278 H LYS 464 HN LYS 464 -4.043 6.832 -0.438 279 HA LYS 464 HA LYS 464 -5.961 7.288 -1.542 280 HB2 LYS 464 HB2 LYS 464 -5.605 9.604 -0.709 281 HB3 LYS 464 HB1 LYS 464 -4.692 9.968 -2.167 282 HG2 LYS 464 HG2 LYS 464 -6.723 9.487 -3.503 283 HG3 LYS 464 HG1 LYS 464 -7.617 9.260 -1.998 284 HD2 LYS 464 HD2 LYS 464 -6.145 11.785 -2.741 285 HD3 LYS 464 HD1 LYS 464 -7.869 11.530 -3.004 286 HE2 LYS 464 HE2 LYS 464 -6.551 11.321 -0.305 287 HE3 LYS 464 HE1 LYS 464 -7.258 12.811 -0.924 288 HZ1 LYS 464 HZ1 LYS 464 -8.791 11.588 0.511 289 HZ2 LYS 464 HZ2 LYS 464 -8.729 10.255 -0.536 290 HZ3 LYS 464 HZ3 LYS 464 -9.393 11.719 -1.068 Start of MODEL 5 1 H1 GLY 428 HT1 GLY 428 15.532 19.721 -7.253 2 H2 GLY 428 HT2 GLY 428 15.006 19.337 -5.688 3 H3 GLY 428 HT3 GLY 428 13.913 19.982 -6.807 4 HA2 GLY 428 HA1 GLY 428 14.146 17.999 -8.190 5 HA3 GLY 428 HA2 GLY 428 15.238 17.331 -6.983 6 H ALA 429 HN ALA 429 12.744 16.201 -7.884 7 HA ALA 429 HA ALA 429 10.786 16.714 -5.829 8 HB1 ALA 429 HB1 ALA 429 9.459 15.000 -6.940 9 HB2 ALA 429 HB2 ALA 429 10.839 14.567 -7.949 10 HB3 ALA 429 HB3 ALA 429 10.092 16.157 -8.109 11 H THR 430 HN THR 430 10.737 15.821 -3.901 12 HA THR 430 HA THR 430 12.363 13.467 -3.350 13 HB THR 430 HB THR 430 11.527 13.902 -0.954 14 HG1 THR 430 HG1 THR 430 9.805 15.345 -1.676 15 HG21 THR 430 HG21 THR 430 13.788 14.442 -1.709 16 HG22 THR 430 HG22 THR 430 13.179 15.691 -0.622 17 HG23 THR 430 HG23 THR 430 13.211 15.977 -2.361 18 H ALA 431 HN ALA 431 11.360 11.622 -3.991 19 HA ALA 431 HA ALA 431 8.591 11.258 -4.158 20 HB1 ALA 431 HB1 ALA 431 9.095 8.905 -4.524 21 HB2 ALA 431 HB2 ALA 431 10.747 9.162 -3.960 22 HB3 ALA 431 HB3 ALA 431 10.192 9.938 -5.444 23 H VAL 432 HN VAL 432 7.113 10.876 -2.668 24 HA VAL 432 HA VAL 432 7.959 10.020 0.012 25 HB VAL 432 HB VAL 432 6.553 12.075 -0.240 26 HG11 VAL 432 HG11 VAL 432 4.423 10.136 -1.110 27 HG12 VAL 432 HG12 VAL 432 5.176 11.384 -2.102 28 HG13 VAL 432 HG13 VAL 432 4.169 11.840 -0.727 29 HG21 VAL 432 HG21 VAL 432 4.994 11.559 1.576 30 HG22 VAL 432 HG22 VAL 432 6.593 10.881 1.878 31 HG23 VAL 432 HG23 VAL 432 5.282 9.834 1.332 32 H SER 433 HN SER 433 7.163 8.614 -2.749 33 HA SER 433 HA SER 433 5.083 6.820 -1.934 34 HB2 SER 433 HB2 SER 433 6.911 6.587 -4.335 35 HB3 SER 433 HB1 SER 433 5.340 5.811 -4.109 36 HG SER 433 HG SER 433 4.452 7.547 -4.871 37 H GLU 434 HN GLU 434 6.097 6.026 0.008 38 HA GLU 434 HA GLU 434 8.169 4.010 -0.407 39 HB2 GLU 434 HB2 GLU 434 8.163 5.537 1.611 40 HB3 GLU 434 HB1 GLU 434 6.714 4.704 2.155 41 HG2 GLU 434 HG2 GLU 434 8.652 3.833 3.293 42 HG3 GLU 434 HG1 GLU 434 7.968 2.598 2.238 43 H TRP 435 HN TRP 435 4.925 4.284 -0.734 44 HA TRP 435 HA TRP 435 4.299 1.557 0.098 45 HB2 TRP 435 HB2 TRP 435 2.564 3.879 -0.758 46 HB3 TRP 435 HB1 TRP 435 1.935 2.259 -0.482 47 HD1 TRP 435 HD1 TRP 435 3.446 5.242 1.430 48 HE1 TRP 435 HE1 TRP 435 2.836 4.994 3.929 49 HE3 TRP 435 HE3 TRP 435 1.296 0.607 1.270 50 HZ2 TRP 435 HZ2 TRP 435 1.595 3.082 5.585 51 HZ3 TRP 435 HZ3 TRP 435 0.422 -0.355 3.348 52 HH2 TRP 435 HH2 TRP 435 0.569 0.855 5.465 53 H THR 436 HN THR 436 4.639 0.042 -1.377 54 HA THR 436 HA THR 436 4.316 0.734 -4.216 55 HB THR 436 HB THR 436 5.688 -1.684 -3.013 56 HG1 THR 436 HG1 THR 436 6.620 0.572 -2.711 57 HG21 THR 436 HG21 THR 436 4.896 -2.034 -5.303 58 HG22 THR 436 HG22 THR 436 6.656 -1.944 -5.252 59 HG23 THR 436 HG23 THR 436 5.718 -0.562 -5.820 60 H GLU 437 HN GLU 437 2.433 0.158 -5.100 61 HA GLU 437 HA GLU 437 0.834 -1.891 -3.804 62 HB2 GLU 437 HB2 GLU 437 -0.971 -1.161 -5.291 63 HB3 GLU 437 HB1 GLU 437 -0.293 0.185 -4.399 64 HG2 GLU 437 HG2 GLU 437 -0.404 1.184 -6.407 65 HG3 GLU 437 HG1 GLU 437 1.148 0.385 -6.645 66 H TYR 438 HN TYR 438 0.563 -3.876 -4.541 67 HA TYR 438 HA TYR 438 1.668 -4.497 -7.185 68 HB2 TYR 438 HB2 TYR 438 1.258 -6.237 -4.756 69 HB3 TYR 438 HB1 TYR 438 1.670 -6.882 -6.342 70 HD1 TYR 438 HD2 TYR 438 3.829 -6.133 -7.417 71 HD2 TYR 438 HD1 TYR 438 2.931 -5.378 -3.330 72 HE1 TYR 438 HE2 TYR 438 6.213 -5.735 -6.976 73 HE2 TYR 438 HE1 TYR 438 5.313 -4.973 -2.874 74 HH TYR 438 HH TYR 438 7.524 -5.624 -3.892 75 H LYS 439 HN LYS 439 0.238 -4.582 -8.691 76 HA LYS 439 HA LYS 439 -2.551 -5.206 -8.076 77 HB2 LYS 439 HB2 LYS 439 -2.174 -3.139 -9.276 78 HB3 LYS 439 HB1 LYS 439 -1.209 -3.967 -10.486 79 HG2 LYS 439 HG2 LYS 439 -3.283 -3.575 -11.499 80 HG3 LYS 439 HG1 LYS 439 -3.299 -5.281 -11.053 81 HD2 LYS 439 HD2 LYS 439 -5.415 -4.472 -10.436 82 HD3 LYS 439 HD1 LYS 439 -4.504 -4.546 -8.928 83 HE2 LYS 439 HE2 LYS 439 -4.674 -2.025 -10.558 84 HE3 LYS 439 HE1 LYS 439 -5.914 -2.450 -9.382 85 HZ1 LYS 439 HZ1 LYS 439 -4.288 -0.984 -8.405 86 HZ2 LYS 439 HZ2 LYS 439 -3.025 -2.033 -8.805 87 HZ3 LYS 439 HZ3 LYS 439 -4.190 -2.505 -7.668 88 H THR 440 HN THR 440 -3.272 -7.204 -8.445 89 HA THR 440 HA THR 440 -1.866 -8.957 -10.291 90 HB THR 440 HB THR 440 -3.447 -10.694 -9.544 91 HG1 THR 440 HG1 THR 440 -5.162 -10.233 -8.324 92 HG21 THR 440 HG21 THR 440 -1.417 -10.361 -8.242 93 HG22 THR 440 HG22 THR 440 -2.757 -10.806 -7.184 94 HG23 THR 440 HG23 THR 440 -2.221 -9.128 -7.270 95 H ALA 441 HN ALA 441 -2.884 -9.917 -12.129 96 HA ALA 441 HA ALA 441 -4.400 -8.195 -13.715 97 HB1 ALA 441 HB1 ALA 441 -4.186 -11.195 -13.955 98 HB2 ALA 441 HB2 ALA 441 -3.049 -10.022 -14.622 99 HB3 ALA 441 HB3 ALA 441 -4.708 -10.086 -15.223 100 H ASP 442 HN ASP 442 -5.387 -10.596 -11.405 101 HA ASP 442 HA ASP 442 -8.143 -10.636 -12.199 102 HB2 ASP 442 HB2 ASP 442 -8.403 -11.866 -9.974 103 HB3 ASP 442 HB1 ASP 442 -7.395 -12.626 -11.199 104 H GLY 443 HN GLY 443 -6.352 -8.306 -10.703 105 HA2 GLY 443 HA2 GLY 443 -7.249 -6.205 -10.225 106 HA3 GLY 443 HA1 GLY 443 -8.833 -6.937 -10.070 107 H LYS 444 HN LYS 444 -6.063 -8.162 -8.290 108 HA LYS 444 HA LYS 444 -7.274 -7.057 -5.841 109 HB2 LYS 444 HB2 LYS 444 -5.346 -9.370 -6.124 110 HB3 LYS 444 HB1 LYS 444 -6.074 -8.816 -4.624 111 HG2 LYS 444 HG2 LYS 444 -8.302 -9.374 -5.564 112 HG3 LYS 444 HG1 LYS 444 -7.487 -10.056 -6.973 113 HD2 LYS 444 HD2 LYS 444 -6.229 -11.540 -5.357 114 HD3 LYS 444 HD1 LYS 444 -7.360 -10.999 -4.115 115 HE2 LYS 444 HE2 LYS 444 -7.994 -12.482 -6.658 116 HE3 LYS 444 HE1 LYS 444 -8.140 -13.083 -5.008 117 HZ1 LYS 444 HZ1 LYS 444 -9.844 -11.314 -4.646 118 HZ2 LYS 444 HZ2 LYS 444 -10.293 -12.499 -5.766 119 HZ3 LYS 444 HZ3 LYS 444 -9.783 -10.978 -6.312 120 H THR 445 HN THR 445 -6.143 -5.670 -4.599 121 HA THR 445 HA THR 445 -3.388 -5.076 -5.458 122 HB THR 445 HB THR 445 -5.364 -2.995 -4.519 123 HG1 THR 445 HG1 THR 445 -6.198 -3.609 -6.451 124 HG21 THR 445 HG21 THR 445 -3.007 -2.410 -4.267 125 HG22 THR 445 HG22 THR 445 -3.755 -1.443 -5.539 126 HG23 THR 445 HG23 THR 445 -2.719 -2.808 -5.962 127 H TYR 446 HN TYR 446 -2.111 -5.724 -3.820 128 HA TYR 446 HA TYR 446 -2.915 -4.914 -1.116 129 HB2 TYR 446 HB2 TYR 446 -1.230 -6.549 -0.283 130 HB3 TYR 446 HB1 TYR 446 -2.551 -7.286 -1.172 131 HD1 TYR 446 HD1 TYR 446 -2.128 -8.051 -3.544 132 HD2 TYR 446 HD2 TYR 446 1.008 -6.879 -0.921 133 HE1 TYR 446 HE1 TYR 446 -0.509 -9.271 -4.941 134 HE2 TYR 446 HE2 TYR 446 2.633 -8.088 -2.310 135 HH TYR 446 HH TYR 446 2.613 -10.006 -3.913 136 H TYR 447 HN TYR 447 -1.825 -3.401 -0.104 137 HA TYR 447 HA TYR 447 0.267 -2.056 -1.620 138 HB2 TYR 447 HB2 TYR 447 -1.165 -1.114 0.873 139 HB3 TYR 447 HB1 TYR 447 -0.196 -0.138 -0.228 140 HD1 TYR 447 HD1 TYR 447 -1.058 0.435 -2.468 141 HD2 TYR 447 HD2 TYR 447 -3.435 -1.700 0.341 142 HE1 TYR 447 HE1 TYR 447 -3.063 0.897 -3.818 143 HE2 TYR 447 HE2 TYR 447 -5.444 -1.239 -0.996 144 HH TYR 447 HH TYR 447 -5.289 0.012 -4.181 145 H TYR 448 HN TYR 448 2.302 -2.454 -1.187 146 HA TYR 448 HA TYR 448 2.992 -3.523 1.460 147 HB2 TYR 448 HB2 TYR 448 3.452 -4.842 -0.690 148 HB3 TYR 448 HB1 TYR 448 4.707 -3.655 -1.016 149 HD1 TYR 448 HD1 TYR 448 3.596 -6.202 1.425 150 HD2 TYR 448 HD2 TYR 448 6.841 -3.866 -0.019 151 HE1 TYR 448 HE1 TYR 448 5.149 -7.533 2.790 152 HE2 TYR 448 HE2 TYR 448 8.407 -5.189 1.341 153 HH TYR 448 HH TYR 448 8.399 -6.612 3.314 154 H ASN 449 HN ASN 449 3.896 -2.156 2.801 155 HA ASN 449 HA ASN 449 5.231 0.236 1.814 156 HB2 ASN 449 HB2 ASN 449 3.675 0.474 3.699 157 HB3 ASN 449 HB1 ASN 449 4.615 -0.682 4.637 158 HD21 ASN 449 HD21 ASN 449 4.455 2.547 3.389 159 HD22 ASN 449 HD22 ASN 449 5.760 3.187 4.324 160 H ASN 450 HN ASN 450 7.346 0.238 1.444 161 HA ASN 450 HA ASN 450 8.903 -2.090 2.088 162 HB2 ASN 450 HB2 ASN 450 9.727 0.487 0.738 163 HB3 ASN 450 HB1 ASN 450 10.694 -0.982 0.814 164 HD21 ASN 450 HD21 ASN 450 9.628 0.510 -1.479 165 HD22 ASN 450 HD22 ASN 450 8.701 -0.633 -2.387 166 H ARG 451 HN ARG 451 8.282 0.792 3.698 167 HA ARG 451 HA ARG 451 10.847 1.202 4.895 168 HB2 ARG 451 HB2 ARG 451 9.383 3.079 4.710 169 HB3 ARG 451 HB1 ARG 451 8.083 2.224 5.520 170 HG2 ARG 451 HG2 ARG 451 9.492 2.215 7.589 171 HG3 ARG 451 HG1 ARG 451 10.619 3.278 6.740 172 HD2 ARG 451 HD2 ARG 451 9.027 4.525 8.146 173 HD3 ARG 451 HD1 ARG 451 8.890 4.935 6.437 174 HE ARG 451 HE ARG 451 7.054 2.951 7.599 175 HH11 ARG 451 HH11 ARG 451 7.588 6.092 6.131 176 HH12 ARG 451 HH12 ARG 451 5.897 6.392 5.850 177 HH21 ARG 451 HH21 ARG 451 4.827 3.343 7.223 178 HH22 ARG 451 HH22 ARG 451 4.322 4.827 6.460 179 H THR 452 HN THR 452 7.761 -0.126 6.069 180 HA THR 452 HA THR 452 9.259 -1.381 8.272 181 HB THR 452 HB THR 452 6.679 -1.349 9.161 182 HG1 THR 452 HG1 THR 452 5.607 0.250 8.259 183 HG21 THR 452 HG21 THR 452 8.759 0.813 9.515 184 HG22 THR 452 HG22 THR 452 8.668 -0.692 10.428 185 HG23 THR 452 HG23 THR 452 7.391 0.514 10.588 186 H LEU 453 HN LEU 453 8.113 -2.198 5.422 187 HA LEU 453 HA LEU 453 7.655 -4.188 4.429 188 HB2 LEU 453 HB2 LEU 453 8.291 -5.306 7.162 189 HB3 LEU 453 HB1 LEU 453 8.097 -6.267 5.709 190 HG LEU 453 HG LEU 453 10.259 -4.220 6.216 191 HD11 LEU 453 HD11 LEU 453 11.752 -6.155 6.153 192 HD12 LEU 453 HD12 LEU 453 10.362 -7.224 5.962 193 HD13 LEU 453 HD13 LEU 453 10.568 -6.298 7.451 194 HD21 LEU 453 HD21 LEU 453 9.599 -4.218 3.871 195 HD22 LEU 453 HD22 LEU 453 9.774 -5.972 3.807 196 HD23 LEU 453 HD23 LEU 453 11.189 -4.953 4.073 197 H GLU 454 HN GLU 454 5.500 -2.668 5.615 198 HA GLU 454 HA GLU 454 3.709 -4.630 6.814 199 HB2 GLU 454 HB2 GLU 454 3.209 -1.709 6.201 200 HB3 GLU 454 HB1 GLU 454 2.211 -2.759 7.195 201 HG2 GLU 454 HG2 GLU 454 3.965 -2.927 8.845 202 HG3 GLU 454 HG1 GLU 454 5.039 -1.963 7.829 203 H SER 455 HN SER 455 2.097 -5.631 5.755 204 HA SER 455 HA SER 455 1.478 -4.731 3.030 205 HB2 SER 455 HB2 SER 455 0.474 -7.065 2.819 206 HB3 SER 455 HB1 SER 455 2.224 -6.985 2.979 207 HG SER 455 HG SER 455 0.307 -7.954 4.754 208 H TYR 456 HN TYR 456 -0.325 -3.619 2.797 209 HA TYR 456 HA TYR 456 -2.565 -4.135 4.643 210 HB2 TYR 456 HB2 TYR 456 -1.565 -1.593 3.384 211 HB3 TYR 456 HB1 TYR 456 -3.235 -1.727 3.918 212 HD1 TYR 456 HD1 TYR 456 -3.777 -1.839 6.293 213 HD2 TYR 456 HD2 TYR 456 0.259 -1.538 4.992 214 HE1 TYR 456 HE1 TYR 456 -3.082 -1.256 8.582 215 HE2 TYR 456 HE2 TYR 456 0.957 -0.938 7.266 216 HH TYR 456 HH TYR 456 0.207 -0.239 9.304 217 H TRP 457 HN TRP 457 -4.395 -4.863 3.774 218 HA TRP 457 HA TRP 457 -4.590 -5.073 0.882 219 HB2 TRP 457 HB2 TRP 457 -6.394 -6.121 3.070 220 HB3 TRP 457 HB1 TRP 457 -6.617 -6.431 1.352 221 HD1 TRP 457 HD1 TRP 457 -4.438 -7.426 4.318 222 HE1 TRP 457 HE1 TRP 457 -3.066 -9.512 3.681 223 HE3 TRP 457 HE3 TRP 457 -5.564 -7.641 -0.665 224 HZ2 TRP 457 HZ2 TRP 457 -2.530 -11.036 1.364 225 HZ3 TRP 457 HZ3 TRP 457 -4.581 -9.440 -2.020 226 HH2 TRP 457 HH2 TRP 457 -3.096 -11.103 -1.026 227 H GLU 458 HN GLU 458 -5.771 -3.115 3.418 228 HA GLU 458 HA GLU 458 -7.640 -1.822 1.557 229 HB2 GLU 458 HB2 GLU 458 -8.727 -2.564 3.614 230 HB3 GLU 458 HB1 GLU 458 -7.534 -1.705 4.577 231 HG2 GLU 458 HG2 GLU 458 -9.632 -0.489 4.484 232 HG3 GLU 458 HG1 GLU 458 -8.339 0.421 3.706 233 H LYS 459 HN LYS 459 -7.539 0.371 1.284 234 HA LYS 459 HA LYS 459 -4.936 1.454 1.139 235 HB2 LYS 459 HB2 LYS 459 -7.549 2.946 0.941 236 HB3 LYS 459 HB1 LYS 459 -6.011 3.395 0.218 237 HG2 LYS 459 HG2 LYS 459 -6.118 1.593 -1.329 238 HG3 LYS 459 HG1 LYS 459 -7.504 0.885 -0.499 239 HD2 LYS 459 HD2 LYS 459 -7.476 3.550 -1.914 240 HD3 LYS 459 HD1 LYS 459 -8.168 2.056 -2.549 241 HE2 LYS 459 HE2 LYS 459 -9.039 3.447 -0.019 242 HE3 LYS 459 HE1 LYS 459 -9.862 3.570 -1.573 243 HZ1 LYS 459 HZ1 LYS 459 -9.551 1.126 0.099 244 HZ2 LYS 459 HZ2 LYS 459 -10.165 1.119 -1.484 245 HZ3 LYS 459 HZ3 LYS 459 -10.988 1.955 -0.261 246 HA PRO 460 HA PRO 460 -4.872 3.090 5.340 247 HB2 PRO 460 HB2 PRO 460 -2.295 3.904 5.269 248 HB3 PRO 460 HB1 PRO 460 -2.746 2.208 5.479 249 HG2 PRO 460 HG2 PRO 460 -1.842 3.637 3.010 250 HG3 PRO 460 HG1 PRO 460 -1.386 2.031 3.605 251 HD2 PRO 460 HD2 PRO 460 -3.230 2.425 1.642 252 HD3 PRO 460 HD1 PRO 460 -3.270 1.039 2.750 253 H GLN 461 HN GLN 461 -4.879 5.176 6.232 254 HA GLN 461 HA GLN 461 -5.523 7.309 4.462 255 HB2 GLN 461 HB2 GLN 461 -6.492 7.089 6.718 256 HB3 GLN 461 HB1 GLN 461 -4.912 7.376 7.425 257 HG2 GLN 461 HG2 GLN 461 -6.222 9.380 7.554 258 HG3 GLN 461 HG1 GLN 461 -4.894 9.622 6.422 259 HE21 GLN 461 HE21 GLN 461 -5.337 9.918 4.244 260 HE22 GLN 461 HE22 GLN 461 -6.943 10.221 3.661 261 H GLU 462 HN GLU 462 -2.581 6.120 5.758 262 HA GLU 462 HA GLU 462 -1.033 8.503 5.483 263 HB2 GLU 462 HB2 GLU 462 -0.379 6.498 6.854 264 HB3 GLU 462 HB1 GLU 462 -0.069 5.638 5.358 265 HG2 GLU 462 HG2 GLU 462 1.601 7.400 4.787 266 HG3 GLU 462 HG1 GLU 462 1.363 8.070 6.399 267 H LEU 463 HN LEU 463 -2.367 6.283 3.294 268 HA LEU 463 HA LEU 463 -0.441 6.775 1.177 269 HB2 LEU 463 HB2 LEU 463 -1.366 4.545 1.382 270 HB3 LEU 463 HB1 LEU 463 -2.997 5.172 1.269 271 HG LEU 463 HG LEU 463 -2.556 5.850 -1.070 272 HD11 LEU 463 HD11 LEU 463 0.072 4.415 -0.673 273 HD12 LEU 463 HD12 LEU 463 -0.131 6.151 -0.907 274 HD13 LEU 463 HD13 LEU 463 -0.550 5.032 -2.203 275 HD21 LEU 463 HD21 LEU 463 -2.573 3.595 -2.002 276 HD22 LEU 463 HD22 LEU 463 -3.589 3.695 -0.564 277 HD23 LEU 463 HD23 LEU 463 -1.994 2.949 -0.467 278 H LYS 464 HN LYS 464 -3.559 7.866 2.234 279 HA LYS 464 HA LYS 464 -4.043 9.257 -0.283 280 HB2 LYS 464 HB2 LYS 464 -5.899 7.993 0.760 281 HB3 LYS 464 HB1 LYS 464 -5.799 9.046 2.165 282 HG2 LYS 464 HG2 LYS 464 -7.619 9.730 0.741 283 HG3 LYS 464 HG1 LYS 464 -6.361 10.967 0.752 284 HD2 LYS 464 HD2 LYS 464 -6.986 10.790 -1.497 285 HD3 LYS 464 HD1 LYS 464 -5.496 9.855 -1.379 286 HE2 LYS 464 HE2 LYS 464 -8.227 8.605 -1.184 287 HE3 LYS 464 HE1 LYS 464 -7.384 8.814 -2.717 288 HZ1 LYS 464 HZ1 LYS 464 -6.393 7.238 -0.397 289 HZ2 LYS 464 HZ2 LYS 464 -5.575 7.448 -1.870 290 HZ3 LYS 464 HZ3 LYS 464 -7.048 6.608 -1.826 Start of MODEL 6 1 H1 GLY 428 HT1 GLY 428 10.534 20.234 3.793 2 H2 GLY 428 HT2 GLY 428 9.295 19.375 3.021 3 H3 GLY 428 HT3 GLY 428 9.972 20.740 2.277 4 HA2 GLY 428 HA1 GLY 428 12.089 19.619 2.058 5 HA3 GLY 428 HA2 GLY 428 11.403 18.205 2.845 6 H ALA 429 HN ALA 429 12.571 18.126 0.311 7 HA ALA 429 HA ALA 429 10.380 18.068 -1.618 8 HB1 ALA 429 HB1 ALA 429 12.517 19.068 -2.289 9 HB2 ALA 429 HB2 ALA 429 12.116 17.669 -3.282 10 HB3 ALA 429 HB3 ALA 429 13.324 17.525 -2.007 11 H THR 430 HN THR 430 11.894 16.014 0.565 12 HA THR 430 HA THR 430 11.836 13.553 -0.790 13 HB THR 430 HB THR 430 11.415 14.020 2.171 14 HG1 THR 430 HG1 THR 430 13.732 14.023 0.535 15 HG21 THR 430 HG21 THR 430 10.899 11.745 1.436 16 HG22 THR 430 HG22 THR 430 12.369 11.778 2.411 17 HG23 THR 430 HG23 THR 430 12.476 11.631 0.657 18 H ALA 431 HN ALA 431 10.037 12.684 -1.706 19 HA ALA 431 HA ALA 431 7.471 13.000 -0.306 20 HB1 ALA 431 HB1 ALA 431 7.489 13.776 -2.626 21 HB2 ALA 431 HB2 ALA 431 6.412 12.395 -2.420 22 HB3 ALA 431 HB3 ALA 431 7.997 12.173 -3.161 23 H VAL 432 HN VAL 432 6.398 11.257 0.462 24 HA VAL 432 HA VAL 432 7.862 8.876 0.898 25 HB VAL 432 HB VAL 432 6.305 9.584 2.578 26 HG11 VAL 432 HG11 VAL 432 3.877 9.578 2.225 27 HG12 VAL 432 HG12 VAL 432 4.137 9.239 0.513 28 HG13 VAL 432 HG13 VAL 432 4.696 10.761 1.207 29 HG21 VAL 432 HG21 VAL 432 6.650 7.192 2.419 30 HG22 VAL 432 HG22 VAL 432 5.328 7.057 1.258 31 HG23 VAL 432 HG23 VAL 432 4.995 7.539 2.922 32 H SER 433 HN SER 433 8.229 7.367 -0.579 33 HA SER 433 HA SER 433 6.030 6.591 -2.377 34 HB2 SER 433 HB2 SER 433 7.881 6.023 -4.041 35 HB3 SER 433 HB1 SER 433 7.590 7.741 -3.773 36 HG SER 433 HG SER 433 9.860 6.803 -3.711 37 H GLU 434 HN GLU 434 7.292 5.698 0.253 38 HA GLU 434 HA GLU 434 8.553 3.203 -0.171 39 HB2 GLU 434 HB2 GLU 434 7.055 3.566 2.350 40 HB3 GLU 434 HB1 GLU 434 8.726 3.095 2.094 41 HG2 GLU 434 HG2 GLU 434 7.651 5.903 1.934 42 HG3 GLU 434 HG1 GLU 434 8.527 5.214 3.295 43 H TRP 435 HN TRP 435 5.302 4.209 -0.305 44 HA TRP 435 HA TRP 435 4.190 1.557 0.131 45 HB2 TRP 435 HB2 TRP 435 2.931 4.230 -0.503 46 HB3 TRP 435 HB1 TRP 435 2.011 2.733 -0.431 47 HD1 TRP 435 HD1 TRP 435 3.328 5.481 1.741 48 HE1 TRP 435 HE1 TRP 435 2.762 4.992 4.213 49 HE3 TRP 435 HE3 TRP 435 1.838 0.612 1.278 50 HZ2 TRP 435 HZ2 TRP 435 1.811 2.813 5.743 51 HZ3 TRP 435 HZ3 TRP 435 1.111 -0.599 3.290 52 HH2 TRP 435 HH2 TRP 435 1.102 0.480 5.476 53 H THR 436 HN THR 436 4.114 0.129 -1.473 54 HA THR 436 HA THR 436 3.734 1.151 -4.216 55 HB THR 436 HB THR 436 5.222 -1.379 -3.482 56 HG1 THR 436 HG1 THR 436 6.029 1.205 -3.377 57 HG21 THR 436 HG21 THR 436 4.999 0.175 -6.064 58 HG22 THR 436 HG22 THR 436 4.275 -1.396 -5.724 59 HG23 THR 436 HG23 THR 436 6.029 -1.234 -5.808 60 H GLU 437 HN GLU 437 1.917 0.448 -5.196 61 HA GLU 437 HA GLU 437 0.418 -1.713 -3.946 62 HB2 GLU 437 HB2 GLU 437 -1.394 -1.122 -5.512 63 HB3 GLU 437 HB1 GLU 437 -0.884 0.233 -4.520 64 HG2 GLU 437 HG2 GLU 437 0.302 1.207 -6.362 65 HG3 GLU 437 HG1 GLU 437 0.011 -0.221 -7.357 66 H TYR 438 HN TYR 438 0.614 -3.712 -4.549 67 HA TYR 438 HA TYR 438 1.704 -4.315 -7.185 68 HB2 TYR 438 HB2 TYR 438 1.235 -5.998 -4.726 69 HB3 TYR 438 HB1 TYR 438 1.687 -6.699 -6.277 70 HD1 TYR 438 HD2 TYR 438 2.817 -4.450 -3.562 71 HD2 TYR 438 HD1 TYR 438 3.921 -6.593 -7.070 72 HE1 TYR 438 HE2 TYR 438 5.192 -4.012 -3.081 73 HE2 TYR 438 HE1 TYR 438 6.295 -6.164 -6.594 74 HH TYR 438 HH TYR 438 7.376 -4.972 -3.595 75 H LYS 439 HN LYS 439 0.474 -4.845 -8.806 76 HA LYS 439 HA LYS 439 -2.400 -5.230 -8.318 77 HB2 LYS 439 HB2 LYS 439 -1.476 -3.249 -9.676 78 HB3 LYS 439 HB1 LYS 439 -1.103 -4.428 -10.922 79 HG2 LYS 439 HG2 LYS 439 -3.173 -3.375 -11.457 80 HG3 LYS 439 HG1 LYS 439 -3.500 -5.044 -10.986 81 HD2 LYS 439 HD2 LYS 439 -5.088 -3.343 -10.040 82 HD3 LYS 439 HD1 LYS 439 -4.298 -4.374 -8.848 83 HE2 LYS 439 HE2 LYS 439 -4.361 -2.061 -8.099 84 HE3 LYS 439 HE1 LYS 439 -2.703 -2.595 -8.355 85 HZ1 LYS 439 HZ1 LYS 439 -2.734 -1.449 -10.509 86 HZ2 LYS 439 HZ2 LYS 439 -3.016 -0.384 -9.219 87 HZ3 LYS 439 HZ3 LYS 439 -4.306 -0.895 -10.196 88 H THR 440 HN THR 440 -3.122 -7.259 -8.589 89 HA THR 440 HA THR 440 -1.573 -9.091 -10.266 90 HB THR 440 HB THR 440 -2.894 -10.886 -9.230 91 HG1 THR 440 HG1 THR 440 -4.709 -10.384 -8.297 92 HG21 THR 440 HG21 THR 440 -0.813 -10.202 -8.147 93 HG22 THR 440 HG22 THR 440 -2.011 -10.681 -6.945 94 HG23 THR 440 HG23 THR 440 -1.685 -8.972 -7.230 95 H ALA 441 HN ALA 441 -2.567 -10.393 -11.846 96 HA ALA 441 HA ALA 441 -4.256 -8.989 -13.582 97 HB1 ALA 441 HB1 ALA 441 -3.685 -11.946 -13.570 98 HB2 ALA 441 HB2 ALA 441 -2.641 -10.712 -14.273 99 HB3 ALA 441 HB3 ALA 441 -4.251 -10.988 -14.939 100 H ASP 442 HN ASP 442 -4.998 -11.266 -11.051 101 HA ASP 442 HA ASP 442 -7.670 -11.786 -11.991 102 HB2 ASP 442 HB2 ASP 442 -7.937 -13.116 -9.977 103 HB3 ASP 442 HB1 ASP 442 -6.393 -13.493 -10.730 104 H GLY 443 HN GLY 443 -6.302 -9.139 -10.607 105 HA2 GLY 443 HA2 GLY 443 -7.515 -7.169 -10.235 106 HA3 GLY 443 HA1 GLY 443 -8.962 -8.127 -9.983 107 H LYS 444 HN LYS 444 -5.759 -7.820 -8.435 108 HA LYS 444 HA LYS 444 -7.163 -7.169 -5.946 109 HB2 LYS 444 HB2 LYS 444 -4.979 -9.204 -6.309 110 HB3 LYS 444 HB1 LYS 444 -5.281 -8.446 -4.752 111 HG2 LYS 444 HG2 LYS 444 -7.569 -9.290 -4.783 112 HG3 LYS 444 HG1 LYS 444 -7.266 -10.041 -6.350 113 HD2 LYS 444 HD2 LYS 444 -5.557 -11.465 -5.360 114 HD3 LYS 444 HD1 LYS 444 -5.794 -10.684 -3.794 115 HE2 LYS 444 HE2 LYS 444 -6.950 -12.866 -3.989 116 HE3 LYS 444 HE1 LYS 444 -8.043 -11.523 -3.663 117 HZ1 LYS 444 HZ1 LYS 444 -8.704 -11.480 -5.946 118 HZ2 LYS 444 HZ2 LYS 444 -8.857 -13.073 -5.386 119 HZ3 LYS 444 HZ3 LYS 444 -7.542 -12.639 -6.368 120 H THR 445 HN THR 445 -6.173 -5.696 -4.637 121 HA THR 445 HA THR 445 -3.669 -4.505 -5.630 122 HB THR 445 HB THR 445 -6.039 -2.935 -4.592 123 HG1 THR 445 HG1 THR 445 -5.922 -4.054 -6.880 124 HG21 THR 445 HG21 THR 445 -3.437 -2.072 -5.869 125 HG22 THR 445 HG22 THR 445 -3.909 -1.834 -4.187 126 HG23 THR 445 HG23 THR 445 -4.779 -0.997 -5.473 127 H TYR 446 HN TYR 446 -2.285 -5.130 -4.015 128 HA TYR 446 HA TYR 446 -3.101 -4.343 -1.304 129 HB2 TYR 446 HB2 TYR 446 -1.570 -6.049 -0.394 130 HB3 TYR 446 HB1 TYR 446 -2.858 -6.747 -1.358 131 HD1 TYR 446 HD1 TYR 446 -2.318 -7.622 -3.660 132 HD2 TYR 446 HD2 TYR 446 0.698 -6.430 -0.907 133 HE1 TYR 446 HE1 TYR 446 -0.661 -8.950 -4.904 134 HE2 TYR 446 HE2 TYR 446 2.361 -7.744 -2.150 135 HH TYR 446 HH TYR 446 2.428 -9.665 -3.657 136 H TYR 447 HN TYR 447 -1.974 -2.869 -0.306 137 HA TYR 447 HA TYR 447 0.290 -1.690 -1.689 138 HB2 TYR 447 HB2 TYR 447 -1.449 -0.802 0.603 139 HB3 TYR 447 HB1 TYR 447 0.010 0.069 0.152 140 HD1 TYR 447 HD1 TYR 447 0.124 1.329 -1.917 141 HD2 TYR 447 HD2 TYR 447 -3.416 -0.775 -0.837 142 HE1 TYR 447 HE1 TYR 447 -1.126 2.555 -3.643 143 HE2 TYR 447 HE2 TYR 447 -4.671 0.448 -2.560 144 HH TYR 447 HH TYR 447 -3.182 2.204 -5.021 145 H TYR 448 HN TYR 448 2.211 -2.438 -1.272 146 HA TYR 448 HA TYR 448 2.814 -3.393 1.437 147 HB2 TYR 448 HB2 TYR 448 3.034 -5.143 -0.212 148 HB3 TYR 448 HB1 TYR 448 4.033 -4.118 -1.227 149 HD1 TYR 448 HD1 TYR 448 4.195 -4.883 2.432 150 HD2 TYR 448 HD2 TYR 448 6.123 -5.081 -1.356 151 HE1 TYR 448 HE1 TYR 448 6.207 -5.802 3.511 152 HE2 TYR 448 HE2 TYR 448 8.137 -6.001 -0.292 153 HH TYR 448 HH TYR 448 8.195 -7.238 2.798 154 H ASN 449 HN ASN 449 3.902 -2.030 2.598 155 HA ASN 449 HA ASN 449 5.589 0.003 1.370 156 HB2 ASN 449 HB2 ASN 449 4.010 0.565 3.231 157 HB3 ASN 449 HB1 ASN 449 4.944 -0.482 4.289 158 HD21 ASN 449 HD21 ASN 449 4.374 2.386 4.422 159 HD22 ASN 449 HD22 ASN 449 5.908 3.174 4.504 160 H ASN 450 HN ASN 450 7.625 -0.461 0.958 161 HA ASN 450 HA ASN 450 8.883 -2.847 1.881 162 HB2 ASN 450 HB2 ASN 450 9.989 -0.471 0.374 163 HB3 ASN 450 HB1 ASN 450 10.898 -1.940 0.696 164 HD21 ASN 450 HD21 ASN 450 10.022 -0.657 -1.818 165 HD22 ASN 450 HD22 ASN 450 9.158 -1.884 -2.676 166 H ARG 451 HN ARG 451 8.614 0.246 3.209 167 HA ARG 451 HA ARG 451 11.198 0.183 4.533 168 HB2 ARG 451 HB2 ARG 451 10.228 2.254 3.522 169 HB3 ARG 451 HB1 ARG 451 8.984 2.221 4.760 170 HG2 ARG 451 HG2 ARG 451 10.613 2.566 6.486 171 HG3 ARG 451 HG1 ARG 451 11.933 2.421 5.318 172 HD2 ARG 451 HD2 ARG 451 11.035 4.384 4.118 173 HD3 ARG 451 HD1 ARG 451 9.801 4.550 5.366 174 HE ARG 451 HE ARG 451 11.956 4.670 6.870 175 HH11 ARG 451 HH11 ARG 451 11.481 6.051 3.686 176 HH12 ARG 451 HH12 ARG 451 12.459 7.448 4.007 177 HH21 ARG 451 HH21 ARG 451 13.228 6.526 7.311 178 HH22 ARG 451 HH22 ARG 451 13.457 7.721 6.068 179 H THR 452 HN THR 452 7.766 -0.040 5.345 180 HA THR 452 HA THR 452 8.516 -0.610 8.120 181 HB THR 452 HB THR 452 6.036 -0.409 8.555 182 HG1 THR 452 HG1 THR 452 4.862 0.693 6.862 183 HG21 THR 452 HG21 THR 452 7.412 1.999 7.355 184 HG22 THR 452 HG22 THR 452 7.578 1.438 9.018 185 HG23 THR 452 HG23 THR 452 6.023 2.040 8.441 186 H LEU 453 HN LEU 453 7.880 -2.203 5.300 187 HA LEU 453 HA LEU 453 7.581 -4.383 4.747 188 HB2 LEU 453 HB2 LEU 453 7.703 -5.008 7.695 189 HB3 LEU 453 HB1 LEU 453 8.020 -6.101 6.364 190 HG LEU 453 HG LEU 453 9.737 -3.792 7.265 191 HD11 LEU 453 HD11 LEU 453 11.394 -5.552 7.661 192 HD12 LEU 453 HD12 LEU 453 10.210 -6.765 7.178 193 HD13 LEU 453 HD13 LEU 453 9.935 -5.795 8.625 194 HD21 LEU 453 HD21 LEU 453 11.280 -4.445 5.475 195 HD22 LEU 453 HD22 LEU 453 9.740 -3.866 4.838 196 HD23 LEU 453 HD23 LEU 453 10.086 -5.598 4.878 197 H GLU 454 HN GLU 454 5.346 -2.603 5.432 198 HA GLU 454 HA GLU 454 3.385 -4.413 6.667 199 HB2 GLU 454 HB2 GLU 454 3.366 -1.427 6.206 200 HB3 GLU 454 HB1 GLU 454 1.976 -2.320 6.809 201 HG2 GLU 454 HG2 GLU 454 4.671 -2.239 8.149 202 HG3 GLU 454 HG1 GLU 454 3.298 -1.218 8.581 203 H SER 455 HN SER 455 1.801 -5.322 5.517 204 HA SER 455 HA SER 455 1.306 -4.318 2.792 205 HB2 SER 455 HB2 SER 455 0.877 -7.131 3.825 206 HB3 SER 455 HB1 SER 455 0.707 -6.583 2.158 207 HG SER 455 HG SER 455 3.148 -6.096 3.386 208 H TYR 456 HN TYR 456 -0.571 -3.251 2.675 209 HA TYR 456 HA TYR 456 -2.864 -4.300 4.214 210 HB2 TYR 456 HB2 TYR 456 -2.324 -1.396 3.545 211 HB3 TYR 456 HB1 TYR 456 -3.723 -2.010 4.413 212 HD1 TYR 456 HD1 TYR 456 -2.397 -3.918 6.289 213 HD2 TYR 456 HD2 TYR 456 -1.306 0.008 5.077 214 HE1 TYR 456 HE1 TYR 456 -1.220 -3.593 8.420 215 HE2 TYR 456 HE2 TYR 456 -0.122 0.340 7.201 216 HH TYR 456 HH TYR 456 0.705 -2.131 9.267 217 H TRP 457 HN TRP 457 -4.534 -4.915 2.962 218 HA TRP 457 HA TRP 457 -4.544 -4.510 0.144 219 HB2 TRP 457 HB2 TRP 457 -6.781 -5.454 1.958 220 HB3 TRP 457 HB1 TRP 457 -6.769 -5.579 0.202 221 HD1 TRP 457 HD1 TRP 457 -5.280 -7.170 3.331 222 HE1 TRP 457 HE1 TRP 457 -4.177 -9.408 2.686 223 HE3 TRP 457 HE3 TRP 457 -5.631 -6.797 -1.756 224 HZ2 TRP 457 HZ2 TRP 457 -3.545 -10.821 0.324 225 HZ3 TRP 457 HZ3 TRP 457 -4.754 -8.633 -3.137 226 HH2 TRP 457 HH2 TRP 457 -3.729 -10.604 -2.115 227 H GLU 458 HN GLU 458 -5.685 -2.711 2.806 228 HA GLU 458 HA GLU 458 -7.444 -1.066 1.125 229 HB2 GLU 458 HB2 GLU 458 -7.240 -1.294 4.138 230 HB3 GLU 458 HB1 GLU 458 -8.353 -0.238 3.281 231 HG2 GLU 458 HG2 GLU 458 -8.330 -3.238 3.052 232 HG3 GLU 458 HG1 GLU 458 -9.389 -2.318 4.124 233 H LYS 459 HN LYS 459 -7.079 1.123 0.932 234 HA LYS 459 HA LYS 459 -4.454 2.083 1.175 235 HB2 LYS 459 HB2 LYS 459 -7.091 3.473 0.776 236 HB3 LYS 459 HB1 LYS 459 -5.591 4.376 0.901 237 HG2 LYS 459 HG2 LYS 459 -4.717 3.055 -1.021 238 HG3 LYS 459 HG1 LYS 459 -6.328 2.352 -1.191 239 HD2 LYS 459 HD2 LYS 459 -7.298 4.495 -1.618 240 HD3 LYS 459 HD1 LYS 459 -5.787 5.316 -1.226 241 HE2 LYS 459 HE2 LYS 459 -6.037 5.263 -3.611 242 HE3 LYS 459 HE1 LYS 459 -4.728 4.176 -3.157 243 HZ1 LYS 459 HZ1 LYS 459 -7.509 3.349 -3.805 244 HZ2 LYS 459 HZ2 LYS 459 -6.233 2.305 -3.404 245 HZ3 LYS 459 HZ3 LYS 459 -6.173 3.209 -4.835 246 HA PRO 460 HA PRO 460 -4.432 2.993 5.570 247 HB2 PRO 460 HB2 PRO 460 -1.943 4.123 5.549 248 HB3 PRO 460 HB1 PRO 460 -2.214 2.375 5.593 249 HG2 PRO 460 HG2 PRO 460 -1.561 4.137 3.264 250 HG3 PRO 460 HG1 PRO 460 -0.919 2.535 3.670 251 HD2 PRO 460 HD2 PRO 460 -2.829 2.877 1.801 252 HD3 PRO 460 HD1 PRO 460 -2.780 1.440 2.845 253 H GLN 461 HN GLN 461 -4.737 4.869 6.773 254 HA GLN 461 HA GLN 461 -5.664 7.158 5.371 255 HB2 GLN 461 HB2 GLN 461 -6.387 6.284 7.673 256 HB3 GLN 461 HB1 GLN 461 -4.959 7.098 8.299 257 HG2 GLN 461 HG2 GLN 461 -6.876 8.496 8.603 258 HG3 GLN 461 HG1 GLN 461 -5.817 9.223 7.396 259 HE21 GLN 461 HE21 GLN 461 -7.501 10.428 6.520 260 HE22 GLN 461 HE22 GLN 461 -8.750 9.712 5.563 261 H GLU 462 HN GLU 462 -2.581 6.166 6.318 262 HA GLU 462 HA GLU 462 -1.302 8.690 6.575 263 HB2 GLU 462 HB2 GLU 462 -0.300 6.627 7.433 264 HB3 GLU 462 HB1 GLU 462 -0.201 5.983 5.802 265 HG2 GLU 462 HG2 GLU 462 1.382 7.759 5.209 266 HG3 GLU 462 HG1 GLU 462 1.300 8.368 6.863 267 H LEU 463 HN LEU 463 -2.292 6.706 3.918 268 HA LEU 463 HA LEU 463 -0.768 8.302 2.000 269 HB2 LEU 463 HB2 LEU 463 -0.748 5.865 1.736 270 HB3 LEU 463 HB1 LEU 463 -2.497 5.853 1.616 271 HG LEU 463 HG LEU 463 -2.317 7.186 -0.482 272 HD11 LEU 463 HD11 LEU 463 -0.162 8.232 -0.073 273 HD12 LEU 463 HD12 LEU 463 -0.142 7.331 -1.589 274 HD13 LEU 463 HD13 LEU 463 0.631 6.658 -0.154 275 HD21 LEU 463 HD21 LEU 463 -0.830 4.566 -0.428 276 HD22 LEU 463 HD22 LEU 463 -1.503 5.329 -1.868 277 HD23 LEU 463 HD23 LEU 463 -2.574 4.777 -0.580 278 H LYS 464 HN LYS 464 -4.059 7.341 2.796 279 HA LYS 464 HA LYS 464 -6.101 8.057 2.112 280 HB2 LYS 464 HB2 LYS 464 -6.483 10.489 2.627 281 HB3 LYS 464 HB1 LYS 464 -5.775 9.538 3.923 282 HG2 LYS 464 HG2 LYS 464 -4.173 11.056 4.091 283 HG3 LYS 464 HG1 LYS 464 -3.626 10.619 2.470 284 HD2 LYS 464 HD2 LYS 464 -5.525 12.218 1.689 285 HD3 LYS 464 HD1 LYS 464 -5.418 12.859 3.332 286 HE2 LYS 464 HE2 LYS 464 -4.005 14.149 1.850 287 HE3 LYS 464 HE1 LYS 464 -3.012 13.248 2.997 288 HZ1 LYS 464 HZ1 LYS 464 -2.626 11.582 1.278 289 HZ2 LYS 464 HZ2 LYS 464 -2.102 13.112 0.771 290 HZ3 LYS 464 HZ3 LYS 464 -3.557 12.473 0.178 Start of MODEL 7 1 H1 GLY 428 HT1 GLY 428 4.295 10.509 9.771 2 H2 GLY 428 HT2 GLY 428 3.452 9.273 10.568 3 H3 GLY 428 HT3 GLY 428 3.114 9.615 8.938 4 HA2 GLY 428 HA1 GLY 428 5.703 8.589 9.966 5 HA3 GLY 428 HA2 GLY 428 4.463 7.608 9.196 6 H ALA 429 HN ALA 429 4.080 7.822 6.981 7 HA ALA 429 HA ALA 429 6.432 8.725 5.530 8 HB1 ALA 429 HB1 ALA 429 3.993 7.251 4.541 9 HB2 ALA 429 HB2 ALA 429 5.510 6.509 5.053 10 HB3 ALA 429 HB3 ALA 429 5.473 7.545 3.627 11 H THR 430 HN THR 430 6.112 10.984 5.793 12 HA THR 430 HA THR 430 3.811 12.305 4.756 13 HB THR 430 HB THR 430 5.272 13.356 6.448 14 HG1 THR 430 HG1 THR 430 4.243 14.522 4.291 15 HG21 THR 430 HG21 THR 430 7.423 14.332 5.783 16 HG22 THR 430 HG22 THR 430 7.274 13.573 4.198 17 HG23 THR 430 HG23 THR 430 7.438 12.573 5.641 18 H ALA 431 HN ALA 431 6.547 10.878 3.340 19 HA ALA 431 HA ALA 431 5.983 12.205 0.775 20 HB1 ALA 431 HB1 ALA 431 8.504 10.788 1.643 21 HB2 ALA 431 HB2 ALA 431 8.282 12.535 1.545 22 HB3 ALA 431 HB3 ALA 431 8.234 11.557 0.079 23 H VAL 432 HN VAL 432 4.516 10.970 -0.220 24 HA VAL 432 HA VAL 432 4.349 8.148 0.182 25 HB VAL 432 HB VAL 432 2.998 9.795 -1.967 26 HG11 VAL 432 HG11 VAL 432 2.324 7.087 -0.819 27 HG12 VAL 432 HG12 VAL 432 2.959 7.406 -2.434 28 HG13 VAL 432 HG13 VAL 432 1.350 7.975 -1.989 29 HG21 VAL 432 HG21 VAL 432 2.483 10.680 0.239 30 HG22 VAL 432 HG22 VAL 432 2.040 9.068 0.800 31 HG23 VAL 432 HG23 VAL 432 1.076 9.864 -0.443 32 H SER 433 HN SER 433 6.355 7.350 -0.399 33 HA SER 433 HA SER 433 6.618 6.872 -3.272 34 HB2 SER 433 HB2 SER 433 8.215 8.699 -2.638 35 HB3 SER 433 HB1 SER 433 8.979 7.585 -1.506 36 HG SER 433 HG SER 433 9.482 6.234 -3.297 37 H GLU 434 HN GLU 434 7.226 5.978 0.040 38 HA GLU 434 HA GLU 434 8.412 3.441 -0.541 39 HB2 GLU 434 HB2 GLU 434 8.056 3.035 1.896 40 HB3 GLU 434 HB1 GLU 434 8.953 4.506 1.536 41 HG2 GLU 434 HG2 GLU 434 6.912 5.819 1.855 42 HG3 GLU 434 HG1 GLU 434 6.030 4.341 2.243 43 H TRP 435 HN TRP 435 5.283 4.607 -0.707 44 HA TRP 435 HA TRP 435 4.006 2.054 -0.159 45 HB2 TRP 435 HB2 TRP 435 2.845 4.678 -1.129 46 HB3 TRP 435 HB1 TRP 435 1.906 3.241 -0.742 47 HD1 TRP 435 HD1 TRP 435 3.429 6.289 0.832 48 HE1 TRP 435 HE1 TRP 435 2.978 6.275 3.362 49 HE3 TRP 435 HE3 TRP 435 1.694 1.505 1.328 50 HZ2 TRP 435 HZ2 TRP 435 2.014 4.486 5.309 51 HZ3 TRP 435 HZ3 TRP 435 1.023 0.724 3.561 52 HH2 TRP 435 HH2 TRP 435 1.182 2.183 5.508 53 H THR 436 HN THR 436 4.285 0.561 -1.689 54 HA THR 436 HA THR 436 4.121 1.432 -4.505 55 HB THR 436 HB THR 436 5.529 -1.056 -3.524 56 HG1 THR 436 HG1 THR 436 6.322 1.199 -2.817 57 HG21 THR 436 HG21 THR 436 4.910 -1.004 -5.901 58 HG22 THR 436 HG22 THR 436 6.659 -0.915 -5.696 59 HG23 THR 436 HG23 THR 436 5.740 0.540 -6.085 60 H GLU 437 HN GLU 437 2.344 0.754 -5.536 61 HA GLU 437 HA GLU 437 0.768 -1.380 -4.347 62 HB2 GLU 437 HB2 GLU 437 -0.990 -0.699 -5.918 63 HB3 GLU 437 HB1 GLU 437 -0.435 0.639 -4.931 64 HG2 GLU 437 HG2 GLU 437 0.737 1.604 -6.742 65 HG3 GLU 437 HG1 GLU 437 0.553 0.150 -7.725 66 H TYR 438 HN TYR 438 0.465 -3.326 -5.192 67 HA TYR 438 HA TYR 438 1.522 -3.850 -7.890 68 HB2 TYR 438 HB2 TYR 438 1.453 -5.736 -5.518 69 HB3 TYR 438 HB1 TYR 438 1.999 -6.159 -7.138 70 HD1 TYR 438 HD1 TYR 438 4.137 -5.331 -7.985 71 HD2 TYR 438 HD2 TYR 438 2.832 -4.389 -4.044 72 HE1 TYR 438 HE1 TYR 438 6.415 -4.606 -7.407 73 HE2 TYR 438 HE2 TYR 438 5.106 -3.660 -3.459 74 HH TYR 438 HH TYR 438 7.370 -3.924 -4.157 75 H LYS 439 HN LYS 439 0.056 -4.519 -9.311 76 HA LYS 439 HA LYS 439 -2.650 -5.086 -8.382 77 HB2 LYS 439 HB2 LYS 439 -2.360 -3.445 -10.175 78 HB3 LYS 439 HB1 LYS 439 -1.533 -4.642 -11.160 79 HG2 LYS 439 HG2 LYS 439 -3.739 -4.460 -11.992 80 HG3 LYS 439 HG1 LYS 439 -3.640 -5.993 -11.132 81 HD2 LYS 439 HD2 LYS 439 -5.698 -5.065 -10.491 82 HD3 LYS 439 HD1 LYS 439 -4.615 -4.761 -9.132 83 HE2 LYS 439 HE2 LYS 439 -5.050 -2.715 -11.291 84 HE3 LYS 439 HE1 LYS 439 -6.143 -2.847 -9.917 85 HZ1 LYS 439 HZ1 LYS 439 -3.218 -2.322 -9.764 86 HZ2 LYS 439 HZ2 LYS 439 -4.271 -2.458 -8.438 87 HZ3 LYS 439 HZ3 LYS 439 -4.448 -1.180 -9.533 88 H THR 440 HN THR 440 -3.341 -7.100 -8.145 89 HA THR 440 HA THR 440 -1.774 -9.287 -9.244 90 HB THR 440 HB THR 440 -3.241 -10.736 -7.871 91 HG1 THR 440 HG1 THR 440 -5.094 -9.930 -7.285 92 HG21 THR 440 HG21 THR 440 -1.174 -9.840 -6.916 93 HG22 THR 440 HG22 THR 440 -2.430 -9.980 -5.685 94 HG23 THR 440 HG23 THR 440 -2.043 -8.403 -6.372 95 H ALA 441 HN ALA 441 -2.685 -10.976 -10.487 96 HA ALA 441 HA ALA 441 -4.155 -10.133 -12.684 97 HB1 ALA 441 HB1 ALA 441 -4.209 -12.460 -13.361 98 HB2 ALA 441 HB2 ALA 441 -3.782 -12.966 -11.727 99 HB3 ALA 441 HB3 ALA 441 -2.629 -12.048 -12.696 100 H ASP 442 HN ASP 442 -5.304 -11.489 -9.664 101 HA ASP 442 HA ASP 442 -7.917 -12.084 -10.749 102 HB2 ASP 442 HB2 ASP 442 -8.498 -12.815 -8.489 103 HB3 ASP 442 HB1 ASP 442 -6.991 -13.544 -9.023 104 H GLY 443 HN GLY 443 -6.483 -9.273 -10.069 105 HA2 GLY 443 HA2 GLY 443 -7.537 -7.211 -10.326 106 HA3 GLY 443 HA1 GLY 443 -9.081 -7.982 -10.010 107 H LYS 444 HN LYS 444 -6.077 -7.719 -8.117 108 HA LYS 444 HA LYS 444 -7.562 -6.212 -6.084 109 HB2 LYS 444 HB2 LYS 444 -5.867 -8.669 -5.595 110 HB3 LYS 444 HB1 LYS 444 -6.399 -7.581 -4.320 111 HG2 LYS 444 HG2 LYS 444 -8.667 -8.146 -4.646 112 HG3 LYS 444 HG1 LYS 444 -8.320 -8.956 -6.173 113 HD2 LYS 444 HD2 LYS 444 -6.982 -10.628 -4.909 114 HD3 LYS 444 HD1 LYS 444 -7.508 -9.851 -3.413 115 HE2 LYS 444 HE2 LYS 444 -9.732 -10.478 -3.725 116 HE3 LYS 444 HE1 LYS 444 -9.498 -10.797 -5.443 117 HZ1 LYS 444 HZ1 LYS 444 -8.419 -12.413 -3.199 118 HZ2 LYS 444 HZ2 LYS 444 -8.112 -12.699 -4.846 119 HZ3 LYS 444 HZ3 LYS 444 -9.690 -12.857 -4.233 120 H THR 445 HN THR 445 -6.303 -4.798 -4.852 121 HA THR 445 HA THR 445 -3.583 -4.363 -5.896 122 HB THR 445 HB THR 445 -5.492 -2.170 -5.074 123 HG1 THR 445 HG1 THR 445 -6.415 -2.900 -6.900 124 HG21 THR 445 HG21 THR 445 -3.921 -0.737 -6.296 125 HG22 THR 445 HG22 THR 445 -2.911 -2.143 -6.637 126 HG23 THR 445 HG23 THR 445 -3.125 -1.593 -4.973 127 H TYR 446 HN TYR 446 -2.184 -4.759 -4.286 128 HA TYR 446 HA TYR 446 -2.933 -3.820 -1.602 129 HB2 TYR 446 HB2 TYR 446 -1.498 -5.490 -0.636 130 HB3 TYR 446 HB1 TYR 446 -2.581 -6.277 -1.771 131 HD1 TYR 446 HD1 TYR 446 -1.693 -7.110 -3.946 132 HD2 TYR 446 HD2 TYR 446 0.858 -5.530 -0.928 133 HE1 TYR 446 HE1 TYR 446 0.242 -8.181 -5.025 134 HE2 TYR 446 HE2 TYR 446 2.797 -6.590 -2.001 135 HH TYR 446 HH TYR 446 2.656 -7.948 -5.134 136 H TYR 447 HN TYR 447 -1.734 -2.346 -0.629 137 HA TYR 447 HA TYR 447 0.531 -1.240 -2.097 138 HB2 TYR 447 HB2 TYR 447 -1.205 -0.201 0.131 139 HB3 TYR 447 HB1 TYR 447 0.313 0.585 -0.294 140 HD1 TYR 447 HD2 TYR 447 -3.112 -0.144 -1.387 141 HD2 TYR 447 HD1 TYR 447 0.550 1.776 -2.384 142 HE1 TYR 447 HE2 TYR 447 -4.250 1.070 -3.200 143 HE2 TYR 447 HE1 TYR 447 -0.575 2.996 -4.196 144 HH TYR 447 HH TYR 447 -2.597 2.658 -5.653 145 H TYR 448 HN TYR 448 2.469 -1.903 -1.623 146 HA TYR 448 HA TYR 448 2.990 -3.218 0.917 147 HB2 TYR 448 HB2 TYR 448 3.739 -4.058 -1.405 148 HB3 TYR 448 HB1 TYR 448 4.969 -2.804 -1.314 149 HD1 TYR 448 HD2 TYR 448 6.827 -2.998 0.264 150 HD2 TYR 448 HD1 TYR 448 3.832 -6.010 0.017 151 HE1 TYR 448 HE2 TYR 448 8.275 -4.534 1.526 152 HE2 TYR 448 HE1 TYR 448 5.271 -7.553 1.277 153 HH TYR 448 HH TYR 448 8.020 -6.549 2.956 154 H ASN 449 HN ASN 449 3.727 -2.099 2.586 155 HA ASN 449 HA ASN 449 5.113 0.429 2.155 156 HB2 ASN 449 HB2 ASN 449 3.461 0.394 3.939 157 HB3 ASN 449 HB1 ASN 449 4.264 -0.977 4.698 158 HD21 ASN 449 HD21 ASN 449 4.421 2.433 4.045 159 HD22 ASN 449 HD22 ASN 449 5.678 2.809 5.176 160 H ASN 450 HN ASN 450 7.220 0.466 1.893 161 HA ASN 450 HA ASN 450 8.745 -1.939 2.142 162 HB2 ASN 450 HB2 ASN 450 9.477 0.855 1.275 163 HB3 ASN 450 HB1 ASN 450 10.633 -0.472 1.310 164 HD21 ASN 450 HD21 ASN 450 9.596 1.115 -0.936 165 HD22 ASN 450 HD22 ASN 450 8.928 -0.037 -2.043 166 H ARG 451 HN ARG 451 8.004 0.361 4.443 167 HA ARG 451 HA ARG 451 10.582 0.380 5.758 168 HB2 ARG 451 HB2 ARG 451 7.902 1.286 6.835 169 HB3 ARG 451 HB1 ARG 451 9.472 1.617 7.545 170 HG2 ARG 451 HG2 ARG 451 8.561 2.583 4.850 171 HG3 ARG 451 HG1 ARG 451 8.523 3.529 6.339 172 HD2 ARG 451 HD2 ARG 451 10.959 3.319 6.521 173 HD3 ARG 451 HD1 ARG 451 10.985 2.385 5.022 174 HE ARG 451 HE ARG 451 9.661 4.785 4.500 175 HH11 ARG 451 HH11 ARG 451 12.892 3.757 5.434 176 HH12 ARG 451 HH12 ARG 451 13.668 5.075 4.613 177 HH21 ARG 451 HH21 ARG 451 10.676 6.495 3.452 178 HH22 ARG 451 HH22 ARG 451 12.410 6.653 3.502 179 H THR 452 HN THR 452 7.342 -0.786 6.703 180 HA THR 452 HA THR 452 8.602 -2.558 8.650 181 HB THR 452 HB THR 452 5.636 -2.166 8.243 182 HG1 THR 452 HG1 THR 452 5.813 -0.469 9.790 183 HG21 THR 452 HG21 THR 452 7.283 -2.885 10.675 184 HG22 THR 452 HG22 THR 452 6.321 -4.009 9.715 185 HG23 THR 452 HG23 THR 452 5.527 -2.725 10.626 186 H LEU 453 HN LEU 453 7.797 -2.709 5.486 187 HA LEU 453 HA LEU 453 7.610 -4.381 3.963 188 HB2 LEU 453 HB2 LEU 453 8.131 -6.221 6.305 189 HB3 LEU 453 HB1 LEU 453 8.210 -6.667 4.611 190 HG LEU 453 HG LEU 453 10.044 -4.737 6.038 191 HD11 LEU 453 HD11 LEU 453 11.754 -6.421 5.587 192 HD12 LEU 453 HD12 LEU 453 10.533 -7.473 4.873 193 HD13 LEU 453 HD13 LEU 453 10.456 -7.072 6.589 194 HD21 LEU 453 HD21 LEU 453 10.032 -5.626 3.155 195 HD22 LEU 453 HD22 LEU 453 11.287 -4.656 3.926 196 HD23 LEU 453 HD23 LEU 453 9.658 -4.007 3.748 197 H GLU 454 HN GLU 454 5.348 -3.348 5.389 198 HA GLU 454 HA GLU 454 3.566 -5.617 5.835 199 HB2 GLU 454 HB2 GLU 454 3.294 -2.652 6.306 200 HB3 GLU 454 HB1 GLU 454 1.950 -3.765 6.497 201 HG2 GLU 454 HG2 GLU 454 4.541 -4.097 7.971 202 HG3 GLU 454 HG1 GLU 454 3.211 -3.116 8.586 203 H SER 455 HN SER 455 2.272 -6.361 4.299 204 HA SER 455 HA SER 455 1.730 -4.733 1.948 205 HB2 SER 455 HB2 SER 455 0.637 -6.880 1.121 206 HB3 SER 455 HB1 SER 455 2.376 -6.951 1.394 207 HG SER 455 HG SER 455 2.032 -8.054 3.294 208 H TYR 456 HN TYR 456 0.089 -3.363 2.095 209 HA TYR 456 HA TYR 456 -2.169 -4.048 3.825 210 HB2 TYR 456 HB2 TYR 456 -1.372 -1.439 2.530 211 HB3 TYR 456 HB1 TYR 456 -2.826 -1.657 3.494 212 HD1 TYR 456 HD1 TYR 456 -2.673 -2.000 5.917 213 HD2 TYR 456 HD2 TYR 456 0.801 -1.302 3.565 214 HE1 TYR 456 HE1 TYR 456 -1.402 -1.483 7.958 215 HE2 TYR 456 HE2 TYR 456 2.083 -0.786 5.598 216 HH TYR 456 HH TYR 456 1.615 0.012 7.920 217 H TRP 457 HN TRP 457 -3.669 -5.217 2.805 218 HA TRP 457 HA TRP 457 -4.375 -4.762 0.052 219 HB2 TRP 457 HB2 TRP 457 -5.773 -6.391 2.191 220 HB3 TRP 457 HB1 TRP 457 -6.181 -6.401 0.478 221 HD1 TRP 457 HD1 TRP 457 -3.480 -7.618 2.918 222 HE1 TRP 457 HE1 TRP 457 -2.075 -9.433 1.749 223 HE3 TRP 457 HE3 TRP 457 -5.427 -7.244 -1.802 224 HZ2 TRP 457 HZ2 TRP 457 -1.838 -10.561 -0.825 225 HZ3 TRP 457 HZ3 TRP 457 -4.557 -8.735 -3.555 226 HH2 TRP 457 HH2 TRP 457 -2.798 -10.357 -3.075 227 H GLU 458 HN GLU 458 -5.017 -3.249 2.927 228 HA GLU 458 HA GLU 458 -7.470 -1.975 1.903 229 HB2 GLU 458 HB2 GLU 458 -6.535 -2.226 4.776 230 HB3 GLU 458 HB1 GLU 458 -8.042 -1.496 4.236 231 HG2 GLU 458 HG2 GLU 458 -8.850 -3.624 3.459 232 HG3 GLU 458 HG1 GLU 458 -7.304 -4.386 3.829 233 H LYS 459 HN LYS 459 -7.526 0.262 1.883 234 HA LYS 459 HA LYS 459 -4.997 1.462 1.408 235 HB2 LYS 459 HB2 LYS 459 -7.755 2.675 1.578 236 HB3 LYS 459 HB1 LYS 459 -6.326 3.522 1.003 237 HG2 LYS 459 HG2 LYS 459 -6.111 2.003 -0.852 238 HG3 LYS 459 HG1 LYS 459 -7.445 1.021 -0.242 239 HD2 LYS 459 HD2 LYS 459 -8.195 2.469 -2.052 240 HD3 LYS 459 HD1 LYS 459 -8.970 2.913 -0.531 241 HE2 LYS 459 HE2 LYS 459 -7.304 4.717 -0.252 242 HE3 LYS 459 HE1 LYS 459 -6.622 4.298 -1.822 243 HZ1 LYS 459 HZ1 LYS 459 -8.784 4.789 -2.826 244 HZ2 LYS 459 HZ2 LYS 459 -8.127 6.143 -2.042 245 HZ3 LYS 459 HZ3 LYS 459 -9.380 5.265 -1.310 246 HA PRO 460 HA PRO 460 -4.169 2.930 5.588 247 HB2 PRO 460 HB2 PRO 460 -1.879 4.244 4.857 248 HB3 PRO 460 HB1 PRO 460 -1.943 2.517 5.229 249 HG2 PRO 460 HG2 PRO 460 -1.938 3.887 2.572 250 HG3 PRO 460 HG1 PRO 460 -1.101 2.406 3.074 251 HD2 PRO 460 HD2 PRO 460 -3.373 2.356 1.617 252 HD3 PRO 460 HD1 PRO 460 -2.982 1.102 2.807 253 H GLN 461 HN GLN 461 -4.406 4.892 6.594 254 HA GLN 461 HA GLN 461 -5.947 6.831 5.206 255 HB2 GLN 461 HB2 GLN 461 -6.142 6.176 7.640 256 HB3 GLN 461 HB1 GLN 461 -4.681 7.099 7.939 257 HG2 GLN 461 HG2 GLN 461 -7.027 8.407 6.641 258 HG3 GLN 461 HG1 GLN 461 -7.012 8.148 8.382 259 HE21 GLN 461 HE21 GLN 461 -4.115 8.529 8.593 260 HE22 GLN 461 HE22 GLN 461 -3.848 10.228 8.391 261 H GLU 462 HN GLU 462 -2.584 6.479 5.814 262 HA GLU 462 HA GLU 462 -1.977 9.289 5.404 263 HB2 GLU 462 HB2 GLU 462 -0.769 7.865 7.072 264 HB3 GLU 462 HB1 GLU 462 -0.088 6.951 5.737 265 HG2 GLU 462 HG2 GLU 462 1.206 8.770 5.015 266 HG3 GLU 462 HG1 GLU 462 0.301 9.912 6.006 267 H LEU 463 HN LEU 463 -2.730 6.798 3.403 268 HA LEU 463 HA LEU 463 -0.725 7.234 1.368 269 HB2 LEU 463 HB2 LEU 463 -1.686 5.020 1.631 270 HB3 LEU 463 HB1 LEU 463 -3.295 5.652 1.346 271 HG LEU 463 HG LEU 463 -2.546 6.281 -0.971 272 HD11 LEU 463 HD11 LEU 463 -0.549 5.176 -1.852 273 HD12 LEU 463 HD12 LEU 463 -0.161 4.591 -0.234 274 HD13 LEU 463 HD13 LEU 463 -0.149 6.321 -0.573 275 HD21 LEU 463 HD21 LEU 463 -2.741 4.016 -1.837 276 HD22 LEU 463 HD22 LEU 463 -3.877 4.286 -0.515 277 HD23 LEU 463 HD23 LEU 463 -2.401 3.362 -0.236 278 H LYS 464 HN LYS 464 -3.898 8.416 2.137 279 HA LYS 464 HA LYS 464 -4.377 9.377 -0.543 280 HB2 LYS 464 HB2 LYS 464 -6.521 10.206 0.344 281 HB3 LYS 464 HB1 LYS 464 -6.272 8.504 0.694 282 HG2 LYS 464 HG2 LYS 464 -6.975 9.089 2.736 283 HG3 LYS 464 HG1 LYS 464 -5.302 9.608 2.954 284 HD2 LYS 464 HD2 LYS 464 -5.995 11.879 2.150 285 HD3 LYS 464 HD1 LYS 464 -7.666 11.314 2.188 286 HE2 LYS 464 HE2 LYS 464 -7.181 12.516 4.219 287 HE3 LYS 464 HE1 LYS 464 -7.409 10.807 4.587 288 HZ1 LYS 464 HZ1 LYS 464 -5.518 11.715 5.768 289 HZ2 LYS 464 HZ2 LYS 464 -4.792 12.186 4.314 290 HZ3 LYS 464 HZ3 LYS 464 -5.006 10.542 4.660 Start of MODEL 8 1 H1 GLY 428 HT1 GLY 428 6.013 21.015 7.449 2 H2 GLY 428 HT2 GLY 428 4.752 19.955 7.038 3 H3 GLY 428 HT3 GLY 428 5.599 20.779 5.822 4 HA2 GLY 428 HA1 GLY 428 7.608 19.581 6.325 5 HA3 GLY 428 HA2 GLY 428 6.786 18.770 7.651 6 H ALA 429 HN ALA 429 5.985 19.441 4.237 7 HA ALA 429 HA ALA 429 4.915 16.751 3.978 8 HB1 ALA 429 HB1 ALA 429 3.682 18.630 3.000 9 HB2 ALA 429 HB2 ALA 429 4.177 17.470 1.767 10 HB3 ALA 429 HB3 ALA 429 5.058 18.986 1.956 11 H THR 430 HN THR 430 6.386 15.209 3.735 12 HA THR 430 HA THR 430 8.758 15.754 2.095 13 HB THR 430 HB THR 430 9.261 14.964 4.343 14 HG1 THR 430 HG1 THR 430 9.839 13.369 2.109 15 HG21 THR 430 HG21 THR 430 7.666 12.508 3.610 16 HG22 THR 430 HG22 THR 430 7.208 13.727 4.800 17 HG23 THR 430 HG23 THR 430 8.623 12.713 5.076 18 H ALA 431 HN ALA 431 5.759 14.417 1.845 19 HA ALA 431 HA ALA 431 4.699 13.238 0.233 20 HB1 ALA 431 HB1 ALA 431 5.770 12.804 -1.897 21 HB2 ALA 431 HB2 ALA 431 7.346 13.193 -1.207 22 HB3 ALA 431 HB3 ALA 431 6.114 14.448 -1.359 23 H VAL 432 HN VAL 432 4.044 11.333 0.912 24 HA VAL 432 HA VAL 432 5.971 9.329 1.712 25 HB VAL 432 HB VAL 432 3.914 7.943 2.255 26 HG11 VAL 432 HG11 VAL 432 3.418 9.236 4.280 27 HG12 VAL 432 HG12 VAL 432 4.227 10.636 3.577 28 HG13 VAL 432 HG13 VAL 432 5.150 9.179 3.945 29 HG21 VAL 432 HG21 VAL 432 2.514 10.558 1.687 30 HG22 VAL 432 HG22 VAL 432 1.788 9.147 2.458 31 HG23 VAL 432 HG23 VAL 432 2.321 9.060 0.778 32 H SER 433 HN SER 433 6.982 8.721 -0.141 33 HA SER 433 HA SER 433 5.367 7.425 -2.217 34 HB2 SER 433 HB2 SER 433 7.099 9.106 -2.890 35 HB3 SER 433 HB1 SER 433 8.336 8.048 -2.210 36 HG SER 433 HG SER 433 7.376 6.409 -3.703 37 H GLU 434 HN GLU 434 6.181 6.505 0.587 38 HA GLU 434 HA GLU 434 8.006 4.328 0.214 39 HB2 GLU 434 HB2 GLU 434 6.150 4.716 2.558 40 HB3 GLU 434 HB1 GLU 434 7.703 3.895 2.531 41 HG2 GLU 434 HG2 GLU 434 7.219 6.855 2.289 42 HG3 GLU 434 HG1 GLU 434 7.916 6.000 3.663 43 H TRP 435 HN TRP 435 4.895 4.718 -0.709 44 HA TRP 435 HA TRP 435 3.990 2.035 0.010 45 HB2 TRP 435 HB2 TRP 435 2.481 4.348 -1.221 46 HB3 TRP 435 HB1 TRP 435 1.775 2.807 -0.746 47 HD1 TRP 435 HD1 TRP 435 2.555 6.198 0.580 48 HE1 TRP 435 HE1 TRP 435 2.023 6.302 3.103 49 HE3 TRP 435 HE3 TRP 435 1.954 1.205 1.479 50 HZ2 TRP 435 HZ2 TRP 435 1.455 4.498 5.188 51 HZ3 TRP 435 HZ3 TRP 435 1.420 0.477 3.767 52 HH2 TRP 435 HH2 TRP 435 1.179 2.091 5.582 53 H THR 436 HN THR 436 4.295 0.465 -1.379 54 HA THR 436 HA THR 436 4.328 1.074 -4.261 55 HB THR 436 HB THR 436 5.468 -1.346 -2.842 56 HG1 THR 436 HG1 THR 436 6.733 1.023 -3.834 57 HG21 THR 436 HG21 THR 436 6.601 -1.764 -4.977 58 HG22 THR 436 HG22 THR 436 5.780 -0.372 -5.684 59 HG23 THR 436 HG23 THR 436 4.847 -1.777 -5.167 60 H GLU 437 HN GLU 437 2.448 0.538 -5.253 61 HA GLU 437 HA GLU 437 0.720 -1.418 -3.957 62 HB2 GLU 437 HB2 GLU 437 -1.047 -0.644 -5.355 63 HB3 GLU 437 HB1 GLU 437 -0.207 0.771 -4.752 64 HG2 GLU 437 HG2 GLU 437 0.553 1.367 -6.805 65 HG3 GLU 437 HG1 GLU 437 0.624 -0.295 -7.388 66 H TYR 438 HN TYR 438 0.422 -3.431 -4.661 67 HA TYR 438 HA TYR 438 1.461 -4.107 -7.326 68 HB2 TYR 438 HB2 TYR 438 1.012 -5.851 -4.899 69 HB3 TYR 438 HB1 TYR 438 1.406 -6.483 -6.493 70 HD1 TYR 438 HD1 TYR 438 3.627 -6.032 -7.490 71 HD2 TYR 438 HD2 TYR 438 2.691 -4.858 -3.507 72 HE1 TYR 438 HE1 TYR 438 6.026 -5.773 -7.009 73 HE2 TYR 438 HE2 TYR 438 5.087 -4.594 -3.017 74 HH TYR 438 HH TYR 438 7.459 -4.509 -5.411 75 H LYS 439 HN LYS 439 -0.100 -3.991 -8.756 76 HA LYS 439 HA LYS 439 -2.845 -4.647 -8.052 77 HB2 LYS 439 HB2 LYS 439 -2.426 -2.636 -9.385 78 HB3 LYS 439 HB1 LYS 439 -1.608 -3.591 -10.610 79 HG2 LYS 439 HG2 LYS 439 -3.747 -3.124 -11.457 80 HG3 LYS 439 HG1 LYS 439 -3.781 -4.812 -10.951 81 HD2 LYS 439 HD2 LYS 439 -5.800 -3.955 -10.162 82 HD3 LYS 439 HD1 LYS 439 -4.753 -3.922 -8.746 83 HE2 LYS 439 HE2 LYS 439 -5.108 -1.532 -10.538 84 HE3 LYS 439 HE1 LYS 439 -6.190 -1.858 -9.189 85 HZ1 LYS 439 HZ1 LYS 439 -3.251 -1.453 -8.982 86 HZ2 LYS 439 HZ2 LYS 439 -4.307 -1.738 -7.690 87 HZ3 LYS 439 HZ3 LYS 439 -4.435 -0.311 -8.589 88 H THR 440 HN THR 440 -3.550 -6.677 -8.257 89 HA THR 440 HA THR 440 -1.924 -8.566 -9.754 90 HB THR 440 HB THR 440 -3.298 -10.296 -8.667 91 HG1 THR 440 HG1 THR 440 -5.078 -9.807 -7.625 92 HG21 THR 440 HG21 THR 440 -2.551 -9.897 -6.362 93 HG22 THR 440 HG22 THR 440 -2.235 -8.208 -6.759 94 HG23 THR 440 HG23 THR 440 -1.295 -9.486 -7.530 95 H ALA 441 HN ALA 441 -2.748 -9.987 -11.305 96 HA ALA 441 HA ALA 441 -4.468 -8.855 -13.207 97 HB1 ALA 441 HB1 ALA 441 -3.668 -11.748 -12.912 98 HB2 ALA 441 HB2 ALA 441 -2.742 -10.502 -13.750 99 HB3 ALA 441 HB3 ALA 441 -4.321 -10.988 -14.365 100 H ASP 442 HN ASP 442 -5.119 -10.975 -10.502 101 HA ASP 442 HA ASP 442 -7.727 -11.751 -11.412 102 HB2 ASP 442 HB2 ASP 442 -7.982 -12.885 -9.339 103 HB3 ASP 442 HB1 ASP 442 -6.298 -13.083 -9.805 104 H GLY 443 HN GLY 443 -6.590 -8.842 -10.362 105 HA2 GLY 443 HA2 GLY 443 -7.941 -6.929 -10.380 106 HA3 GLY 443 HA1 GLY 443 -9.342 -7.937 -10.069 107 H LYS 444 HN LYS 444 -6.322 -7.809 -8.216 108 HA LYS 444 HA LYS 444 -7.749 -6.371 -6.088 109 HB2 LYS 444 HB2 LYS 444 -6.036 -8.841 -5.728 110 HB3 LYS 444 HB1 LYS 444 -6.573 -7.811 -4.409 111 HG2 LYS 444 HG2 LYS 444 -8.889 -8.329 -4.912 112 HG3 LYS 444 HG1 LYS 444 -8.387 -9.312 -6.287 113 HD2 LYS 444 HD2 LYS 444 -7.141 -10.777 -4.724 114 HD3 LYS 444 HD1 LYS 444 -7.776 -9.825 -3.380 115 HE2 LYS 444 HE2 LYS 444 -9.047 -11.912 -3.793 116 HE3 LYS 444 HE1 LYS 444 -10.030 -10.454 -3.927 117 HZ1 LYS 444 HZ1 LYS 444 -10.206 -10.668 -6.191 118 HZ2 LYS 444 HZ2 LYS 444 -10.199 -12.300 -5.726 119 HZ3 LYS 444 HZ3 LYS 444 -8.787 -11.588 -6.341 120 H THR 445 HN THR 445 -6.025 -5.659 -4.364 121 HA THR 445 HA THR 445 -3.421 -5.139 -5.547 122 HB THR 445 HB THR 445 -5.093 -2.808 -4.563 123 HG1 THR 445 HG1 THR 445 -5.267 -4.090 -6.882 124 HG21 THR 445 HG21 THR 445 -3.322 -1.472 -5.600 125 HG22 THR 445 HG22 THR 445 -2.463 -2.948 -6.044 126 HG23 THR 445 HG23 THR 445 -2.673 -2.528 -4.343 127 H TYR 446 HN TYR 446 -2.098 -5.838 -3.979 128 HA TYR 446 HA TYR 446 -2.741 -5.091 -1.222 129 HB2 TYR 446 HB2 TYR 446 -1.026 -6.722 -0.520 130 HB3 TYR 446 HB1 TYR 446 -2.309 -7.462 -1.460 131 HD1 TYR 446 HD1 TYR 446 -1.851 -8.194 -3.801 132 HD2 TYR 446 HD2 TYR 446 1.239 -6.793 -1.233 133 HE1 TYR 446 HE1 TYR 446 -0.169 -9.258 -5.248 134 HE2 TYR 446 HE2 TYR 446 2.926 -7.846 -2.676 135 HH TYR 446 HH TYR 446 3.093 -9.633 -4.308 136 H TYR 447 HN TYR 447 -1.677 -3.577 -0.225 137 HA TYR 447 HA TYR 447 0.310 -2.102 -1.771 138 HB2 TYR 447 HB2 TYR 447 -1.250 -1.329 0.708 139 HB3 TYR 447 HB1 TYR 447 -0.178 -0.264 -0.201 140 HD1 TYR 447 HD2 TYR 447 -3.416 -1.990 -0.204 141 HD2 TYR 447 HD1 TYR 447 -0.843 0.625 -2.359 142 HE1 TYR 447 HE2 TYR 447 -5.278 -1.400 -1.695 143 HE2 TYR 447 HE1 TYR 447 -2.698 1.221 -3.860 144 HH TYR 447 HH TYR 447 -4.811 0.310 -4.620 145 H TYR 448 HN TYR 448 2.357 -2.312 -1.363 146 HA TYR 448 HA TYR 448 3.199 -3.721 1.040 147 HB2 TYR 448 HB2 TYR 448 3.955 -4.513 -1.158 148 HB3 TYR 448 HB1 TYR 448 4.707 -2.954 -1.465 149 HD1 TYR 448 HD1 TYR 448 4.793 -5.734 1.037 150 HD2 TYR 448 HD2 TYR 448 6.958 -2.728 -1.055 151 HE1 TYR 448 HE1 TYR 448 6.892 -6.574 2.006 152 HE2 TYR 448 HE2 TYR 448 9.058 -3.555 -0.088 153 HH TYR 448 HH TYR 448 9.303 -6.551 1.452 154 H ASN 449 HN ASN 449 3.866 -2.636 2.745 155 HA ASN 449 HA ASN 449 4.831 0.104 2.496 156 HB2 ASN 449 HB2 ASN 449 3.269 -0.617 4.354 157 HB3 ASN 449 HB1 ASN 449 4.589 -1.581 5.002 158 HD21 ASN 449 HD21 ASN 449 3.174 0.618 6.234 159 HD22 ASN 449 HD22 ASN 449 4.357 1.825 6.594 160 H ASN 450 HN ASN 450 6.876 0.341 1.939 161 HA ASN 450 HA ASN 450 8.786 -1.765 2.170 162 HB2 ASN 450 HB2 ASN 450 9.095 1.125 1.334 163 HB3 ASN 450 HB1 ASN 450 10.391 -0.062 1.261 164 HD21 ASN 450 HD21 ASN 450 7.387 1.001 -0.128 165 HD22 ASN 450 HD22 ASN 450 7.479 0.031 -1.562 166 H ARG 451 HN ARG 451 7.754 0.602 4.349 167 HA ARG 451 HA ARG 451 10.357 0.910 5.610 168 HB2 ARG 451 HB2 ARG 451 7.682 2.080 6.385 169 HB3 ARG 451 HB1 ARG 451 9.230 2.500 7.099 170 HG2 ARG 451 HG2 ARG 451 8.699 2.849 4.169 171 HG3 ARG 451 HG1 ARG 451 8.248 4.076 5.350 172 HD2 ARG 451 HD2 ARG 451 10.418 4.556 4.327 173 HD3 ARG 451 HD1 ARG 451 10.562 4.280 6.060 174 HE ARG 451 HE ARG 451 11.513 2.117 5.566 175 HH11 ARG 451 HH11 ARG 451 11.198 4.273 2.806 176 HH12 ARG 451 HH12 ARG 451 12.486 3.501 1.918 177 HH21 ARG 451 HH21 ARG 451 13.188 1.124 4.403 178 HH22 ARG 451 HH22 ARG 451 13.649 1.749 2.846 179 H THR 452 HN THR 452 7.358 -0.822 6.127 180 HA THR 452 HA THR 452 8.476 -1.842 8.656 181 HB THR 452 HB THR 452 6.117 -2.341 9.318 182 HG1 THR 452 HG1 THR 452 4.458 -1.645 8.087 183 HG21 THR 452 HG21 THR 452 7.253 -0.342 10.153 184 HG22 THR 452 HG22 THR 452 5.537 -0.027 9.890 185 HG23 THR 452 HG23 THR 452 6.728 0.559 8.730 186 H LEU 453 HN LEU 453 7.906 -2.679 5.519 187 HA LEU 453 HA LEU 453 7.942 -4.639 4.368 188 HB2 LEU 453 HB2 LEU 453 8.486 -5.909 7.058 189 HB3 LEU 453 HB1 LEU 453 8.723 -6.666 5.495 190 HG LEU 453 HG LEU 453 10.254 -4.282 6.537 191 HD11 LEU 453 HD11 LEU 453 11.085 -7.158 6.181 192 HD12 LEU 453 HD12 LEU 453 10.824 -6.329 7.715 193 HD13 LEU 453 HD13 LEU 453 12.144 -5.829 6.657 194 HD21 LEU 453 HD21 LEU 453 10.006 -4.233 4.111 195 HD22 LEU 453 HD22 LEU 453 10.610 -5.887 4.007 196 HD23 LEU 453 HD23 LEU 453 11.669 -4.595 4.572 197 H GLU 454 HN GLU 454 5.485 -3.575 5.445 198 HA GLU 454 HA GLU 454 3.968 -6.038 6.062 199 HB2 GLU 454 HB2 GLU 454 3.311 -3.170 6.748 200 HB3 GLU 454 HB1 GLU 454 2.278 -4.549 7.089 201 HG2 GLU 454 HG2 GLU 454 3.992 -5.475 8.559 202 HG3 GLU 454 HG1 GLU 454 5.034 -4.094 8.215 203 H SER 455 HN SER 455 2.445 -6.692 4.679 204 HA SER 455 HA SER 455 1.742 -4.946 2.440 205 HB2 SER 455 HB2 SER 455 1.130 -7.890 2.820 206 HB3 SER 455 HB1 SER 455 0.953 -6.957 1.333 207 HG SER 455 HG SER 455 2.889 -7.974 1.148 208 H TYR 456 HN TYR 456 -0.062 -3.791 2.607 209 HA TYR 456 HA TYR 456 -2.182 -4.684 4.442 210 HB2 TYR 456 HB2 TYR 456 -1.888 -1.980 3.119 211 HB3 TYR 456 HB1 TYR 456 -2.958 -2.401 4.448 212 HD1 TYR 456 HD1 TYR 456 -2.027 -2.744 6.725 213 HD2 TYR 456 HD2 TYR 456 0.398 -1.450 3.480 214 HE1 TYR 456 HE1 TYR 456 -0.308 -1.983 8.318 215 HE2 TYR 456 HE2 TYR 456 2.118 -0.697 5.057 216 HH TYR 456 HH TYR 456 2.210 -1.557 8.276 217 H TRP 457 HN TRP 457 -4.273 -4.998 3.728 218 HA TRP 457 HA TRP 457 -4.628 -5.186 0.844 219 HB2 TRP 457 HB2 TRP 457 -6.426 -6.038 3.125 220 HB3 TRP 457 HB1 TRP 457 -6.794 -6.277 1.420 221 HD1 TRP 457 HD1 TRP 457 -4.583 -7.620 4.226 222 HE1 TRP 457 HE1 TRP 457 -3.527 -9.845 3.464 223 HE3 TRP 457 HE3 TRP 457 -6.031 -7.556 -0.682 224 HZ2 TRP 457 HZ2 TRP 457 -3.337 -11.358 1.091 225 HZ3 TRP 457 HZ3 TRP 457 -5.367 -9.433 -2.128 226 HH2 TRP 457 HH2 TRP 457 -4.048 -11.293 -1.257 227 H GLU 458 HN GLU 458 -5.212 -3.010 3.335 228 HA GLU 458 HA GLU 458 -7.173 -1.541 1.704 229 HB2 GLU 458 HB2 GLU 458 -7.621 -0.238 3.796 230 HB3 GLU 458 HB1 GLU 458 -8.047 -1.937 3.909 231 HG2 GLU 458 HG2 GLU 458 -5.390 -0.987 4.886 232 HG3 GLU 458 HG1 GLU 458 -6.833 -0.776 5.876 233 H LYS 459 HN LYS 459 -6.635 0.447 0.920 234 HA LYS 459 HA LYS 459 -3.829 1.128 1.067 235 HB2 LYS 459 HB2 LYS 459 -4.311 2.769 -0.673 236 HB3 LYS 459 HB1 LYS 459 -4.939 1.187 -1.108 237 HG2 LYS 459 HG2 LYS 459 -7.173 1.871 -0.580 238 HG3 LYS 459 HG1 LYS 459 -6.597 3.410 0.057 239 HD2 LYS 459 HD2 LYS 459 -6.395 2.467 -2.803 240 HD3 LYS 459 HD1 LYS 459 -7.502 3.693 -2.183 241 HE2 LYS 459 HE2 LYS 459 -4.494 3.842 -2.313 242 HE3 LYS 459 HE1 LYS 459 -5.652 4.792 -3.242 243 HZ1 LYS 459 HZ1 LYS 459 -4.811 6.102 -1.443 244 HZ2 LYS 459 HZ2 LYS 459 -5.214 4.916 -0.310 245 HZ3 LYS 459 HZ3 LYS 459 -6.439 5.753 -1.129 246 HA PRO 460 HA PRO 460 -4.299 4.208 4.241 247 HB2 PRO 460 HB2 PRO 460 -1.937 5.486 3.726 248 HB3 PRO 460 HB1 PRO 460 -2.057 3.984 4.649 249 HG2 PRO 460 HG2 PRO 460 -1.373 4.380 1.760 250 HG3 PRO 460 HG1 PRO 460 -0.598 3.325 2.959 251 HD2 PRO 460 HD2 PRO 460 -2.332 2.353 1.168 252 HD3 PRO 460 HD1 PRO 460 -2.286 1.737 2.835 253 H GLN 461 HN GLN 461 -4.691 6.451 4.376 254 HA GLN 461 HA GLN 461 -5.899 7.429 1.953 255 HB2 GLN 461 HB2 GLN 461 -7.012 7.505 4.181 256 HB3 GLN 461 HB1 GLN 461 -5.845 8.721 4.679 257 HG2 GLN 461 HG2 GLN 461 -7.999 9.687 4.016 258 HG3 GLN 461 HG1 GLN 461 -6.665 10.257 3.017 259 HE21 GLN 461 HE21 GLN 461 -8.107 10.841 1.385 260 HE22 GLN 461 HE22 GLN 461 -8.845 9.661 0.347 261 H GLU 462 HN GLU 462 -2.902 8.021 3.550 262 HA GLU 462 HA GLU 462 -2.633 10.658 2.366 263 HB2 GLU 462 HB2 GLU 462 -0.155 10.221 3.292 264 HB3 GLU 462 HB1 GLU 462 -1.465 10.824 4.293 265 HG2 GLU 462 HG2 GLU 462 -0.358 9.143 5.521 266 HG3 GLU 462 HG1 GLU 462 -1.899 8.469 5.001 267 H LEU 463 HN LEU 463 -2.175 7.487 1.440 268 HA LEU 463 HA LEU 463 -0.189 7.841 -0.550 269 HB2 LEU 463 HB2 LEU 463 -0.753 5.630 0.209 270 HB3 LEU 463 HB1 LEU 463 -2.430 5.846 -0.245 271 HG LEU 463 HG LEU 463 -1.805 5.837 -2.615 272 HD11 LEU 463 HD11 LEU 463 0.996 5.332 -1.610 273 HD12 LEU 463 HD12 LEU 463 0.432 6.793 -2.421 274 HD13 LEU 463 HD13 LEU 463 0.473 5.261 -3.293 275 HD21 LEU 463 HD21 LEU 463 -2.387 3.739 -1.532 276 HD22 LEU 463 HD22 LEU 463 -0.705 3.499 -1.060 277 HD23 LEU 463 HD23 LEU 463 -1.152 3.483 -2.766 278 H LYS 464 HN LYS 464 -3.572 8.538 -0.352 279 HA LYS 464 HA LYS 464 -4.105 8.733 -3.144 280 HB2 LYS 464 HB2 LYS 464 -5.813 8.395 -1.298 281 HB3 LYS 464 HB1 LYS 464 -5.599 10.088 -0.890 282 HG2 LYS 464 HG2 LYS 464 -6.454 9.191 -3.630 283 HG3 LYS 464 HG1 LYS 464 -7.603 9.484 -2.325 284 HD2 LYS 464 HD2 LYS 464 -5.661 11.497 -3.469 285 HD3 LYS 464 HD1 LYS 464 -7.397 11.439 -3.778 286 HE2 LYS 464 HE2 LYS 464 -7.881 11.915 -1.474 287 HE3 LYS 464 HE1 LYS 464 -6.177 11.780 -1.043 288 HZ1 LYS 464 HZ1 LYS 464 -6.815 14.077 -1.205 289 HZ2 LYS 464 HZ2 LYS 464 -7.388 13.858 -2.787 290 HZ3 LYS 464 HZ3 LYS 464 -5.730 13.713 -2.455 Start of MODEL 9 1 H1 GLY 428 HT1 GLY 428 -4.055 12.382 3.759 2 H2 GLY 428 HT2 GLY 428 -3.919 13.839 4.623 3 H3 GLY 428 HT3 GLY 428 -4.757 12.531 5.294 4 HA2 GLY 428 HA1 GLY 428 -2.633 12.690 6.343 5 HA3 GLY 428 HA2 GLY 428 -2.701 11.238 5.356 6 H ALA 429 HN ALA 429 -2.238 12.105 2.852 7 HA ALA 429 HA ALA 429 -0.042 13.924 2.665 8 HB1 ALA 429 HB1 ALA 429 1.695 12.314 2.063 9 HB2 ALA 429 HB2 ALA 429 0.595 10.980 2.412 10 HB3 ALA 429 HB3 ALA 429 1.135 12.041 3.713 11 H THR 430 HN THR 430 0.967 13.710 0.377 12 HA THR 430 HA THR 430 -1.168 13.580 -1.517 13 HB THR 430 HB THR 430 0.776 13.967 -3.161 14 HG1 THR 430 HG1 THR 430 2.755 14.137 -2.336 15 HG21 THR 430 HG21 THR 430 0.300 15.937 -0.917 16 HG22 THR 430 HG22 THR 430 -0.697 15.754 -2.361 17 HG23 THR 430 HG23 THR 430 0.965 16.326 -2.504 18 H ALA 431 HN ALA 431 2.003 11.991 -1.655 19 HA ALA 431 HA ALA 431 0.954 9.354 -1.830 20 HB1 ALA 431 HB1 ALA 431 1.565 8.864 -4.147 21 HB2 ALA 431 HB2 ALA 431 1.983 10.558 -4.401 22 HB3 ALA 431 HB3 ALA 431 0.312 10.103 -4.071 23 H VAL 432 HN VAL 432 2.502 8.901 -0.292 24 HA VAL 432 HA VAL 432 5.235 9.663 -0.600 25 HB VAL 432 HB VAL 432 4.247 9.362 1.619 26 HG11 VAL 432 HG11 VAL 432 3.820 7.124 2.520 27 HG12 VAL 432 HG12 VAL 432 4.111 6.436 0.922 28 HG13 VAL 432 HG13 VAL 432 2.744 7.520 1.181 29 HG21 VAL 432 HG21 VAL 432 6.652 9.172 1.398 30 HG22 VAL 432 HG22 VAL 432 6.506 7.447 1.061 31 HG23 VAL 432 HG23 VAL 432 6.064 8.077 2.649 32 H SER 433 HN SER 433 6.927 8.567 -1.404 33 HA SER 433 HA SER 433 6.430 6.539 -3.313 34 HB2 SER 433 HB2 SER 433 9.070 7.488 -2.183 35 HB3 SER 433 HB1 SER 433 8.843 6.596 -3.689 36 HG SER 433 HG SER 433 7.732 8.343 -4.539 37 H GLU 434 HN GLU 434 6.546 6.181 -0.046 38 HA GLU 434 HA GLU 434 8.065 3.709 -0.036 39 HB2 GLU 434 HB2 GLU 434 6.621 5.093 2.224 40 HB3 GLU 434 HB1 GLU 434 7.712 3.720 2.382 41 HG2 GLU 434 HG2 GLU 434 9.509 5.152 1.387 42 HG3 GLU 434 HG1 GLU 434 8.395 6.513 1.499 43 H TRP 435 HN TRP 435 4.890 4.665 -0.591 44 HA TRP 435 HA TRP 435 3.893 1.973 0.051 45 HB2 TRP 435 HB2 TRP 435 2.527 4.634 -0.145 46 HB3 TRP 435 HB1 TRP 435 1.606 3.169 -0.463 47 HD1 TRP 435 HD1 TRP 435 2.684 5.351 2.338 48 HE1 TRP 435 HE1 TRP 435 2.139 4.243 4.610 49 HE3 TRP 435 HE3 TRP 435 1.633 0.628 0.689 50 HZ2 TRP 435 HZ2 TRP 435 1.361 1.696 5.548 51 HZ3 TRP 435 HZ3 TRP 435 0.994 -1.083 2.338 52 HH2 TRP 435 HH2 TRP 435 0.863 -0.559 4.715 53 H THR 436 HN THR 436 4.065 0.660 -1.626 54 HA THR 436 HA THR 436 3.533 1.736 -4.318 55 HB THR 436 HB THR 436 4.924 -0.863 -3.638 56 HG1 THR 436 HG1 THR 436 5.817 1.627 -3.316 57 HG21 THR 436 HG21 THR 436 5.751 -0.710 -5.940 58 HG22 THR 436 HG22 THR 436 4.849 0.788 -6.168 59 HG23 THR 436 HG23 THR 436 3.986 -0.727 -5.903 60 H GLU 437 HN GLU 437 1.934 0.860 -5.573 61 HA GLU 437 HA GLU 437 0.143 -1.023 -4.208 62 HB2 GLU 437 HB2 GLU 437 -1.614 -0.219 -5.671 63 HB3 GLU 437 HB1 GLU 437 -0.828 1.145 -4.895 64 HG2 GLU 437 HG2 GLU 437 -0.159 0.237 -7.680 65 HG3 GLU 437 HG1 GLU 437 -1.420 1.415 -7.325 66 H TYR 438 HN TYR 438 -0.052 -3.048 -4.909 67 HA TYR 438 HA TYR 438 0.924 -3.658 -7.620 68 HB2 TYR 438 HB2 TYR 438 1.014 -5.323 -5.104 69 HB3 TYR 438 HB1 TYR 438 1.296 -5.995 -6.705 70 HD1 TYR 438 HD1 TYR 438 3.255 -5.216 -8.033 71 HD2 TYR 438 HD2 TYR 438 2.709 -4.109 -3.965 72 HE1 TYR 438 HE1 TYR 438 5.627 -4.595 -7.891 73 HE2 TYR 438 HE2 TYR 438 5.081 -3.484 -3.811 74 HH TYR 438 HH TYR 438 7.098 -3.208 -6.574 75 H LYS 439 HN LYS 439 -0.659 -4.056 -8.962 76 HA LYS 439 HA LYS 439 -3.131 -5.313 -8.006 77 HB2 LYS 439 HB2 LYS 439 -3.676 -3.359 -9.212 78 HB3 LYS 439 HB1 LYS 439 -2.448 -3.660 -10.432 79 HG2 LYS 439 HG2 LYS 439 -4.563 -4.051 -11.431 80 HG3 LYS 439 HG1 LYS 439 -3.793 -5.619 -11.201 81 HD2 LYS 439 HD2 LYS 439 -5.876 -6.117 -10.428 82 HD3 LYS 439 HD1 LYS 439 -5.156 -5.536 -8.930 83 HE2 LYS 439 HE2 LYS 439 -6.781 -3.841 -10.816 84 HE3 LYS 439 HE1 LYS 439 -7.431 -4.640 -9.391 85 HZ1 LYS 439 HZ1 LYS 439 -6.963 -2.377 -8.878 86 HZ2 LYS 439 HZ2 LYS 439 -5.370 -2.499 -9.445 87 HZ3 LYS 439 HZ3 LYS 439 -5.843 -3.341 -8.050 88 H THR 440 HN THR 440 -3.411 -7.410 -8.354 89 HA THR 440 HA THR 440 -1.702 -8.821 -10.238 90 HB THR 440 HB THR 440 -2.759 -10.867 -9.329 91 HG1 THR 440 HG1 THR 440 -4.585 -10.690 -8.286 92 HG21 THR 440 HG21 THR 440 -1.840 -10.712 -7.059 93 HG22 THR 440 HG22 THR 440 -1.764 -8.957 -7.211 94 HG23 THR 440 HG23 THR 440 -0.759 -9.977 -8.240 95 H ALA 441 HN ALA 441 -2.510 -10.107 -11.933 96 HA ALA 441 HA ALA 441 -4.330 -8.985 -13.631 97 HB1 ALA 441 HB1 ALA 441 -2.695 -10.694 -14.260 98 HB2 ALA 441 HB2 ALA 441 -4.308 -11.063 -14.869 99 HB3 ALA 441 HB3 ALA 441 -3.680 -11.921 -13.463 100 H ASP 442 HN ASP 442 -5.073 -11.146 -10.967 101 HA ASP 442 HA ASP 442 -7.743 -11.667 -11.988 102 HB2 ASP 442 HB2 ASP 442 -7.973 -13.270 -10.286 103 HB3 ASP 442 HB1 ASP 442 -6.286 -13.385 -10.769 104 H GLY 443 HN GLY 443 -6.404 -9.104 -10.499 105 HA2 GLY 443 HA2 GLY 443 -7.651 -7.190 -9.976 106 HA3 GLY 443 HA1 GLY 443 -9.059 -8.200 -9.710 107 H LYS 444 HN LYS 444 -5.950 -8.815 -8.163 108 HA LYS 444 HA LYS 444 -7.136 -7.880 -5.632 109 HB2 LYS 444 HB2 LYS 444 -4.932 -9.906 -6.077 110 HB3 LYS 444 HB1 LYS 444 -5.466 -9.337 -4.501 111 HG2 LYS 444 HG2 LYS 444 -7.778 -10.195 -5.174 112 HG3 LYS 444 HG1 LYS 444 -6.940 -11.043 -6.478 113 HD2 LYS 444 HD2 LYS 444 -6.367 -11.322 -3.527 114 HD3 LYS 444 HD1 LYS 444 -7.243 -12.485 -4.524 115 HE2 LYS 444 HE2 LYS 444 -4.393 -11.637 -5.017 116 HE3 LYS 444 HE1 LYS 444 -4.850 -13.070 -4.097 117 HZ1 LYS 444 HZ1 LYS 444 -4.329 -13.621 -6.385 118 HZ2 LYS 444 HZ2 LYS 444 -5.521 -12.554 -6.950 119 HZ3 LYS 444 HZ3 LYS 444 -5.962 -13.931 -6.064 120 H THR 445 HN THR 445 -6.234 -6.186 -4.641 121 HA THR 445 HA THR 445 -3.637 -5.244 -5.662 122 HB THR 445 HB THR 445 -5.751 -3.440 -4.504 123 HG1 THR 445 HG1 THR 445 -6.847 -4.054 -6.237 124 HG21 THR 445 HG21 THR 445 -3.428 -2.953 -6.375 125 HG22 THR 445 HG22 THR 445 -3.480 -2.543 -4.661 126 HG23 THR 445 HG23 THR 445 -4.557 -1.728 -5.794 127 H TYR 446 HN TYR 446 -2.101 -5.496 -4.164 128 HA TYR 446 HA TYR 446 -2.833 -4.934 -1.369 129 HB2 TYR 446 HB2 TYR 446 -0.964 -6.384 -0.676 130 HB3 TYR 446 HB1 TYR 446 -2.162 -7.262 -1.613 131 HD1 TYR 446 HD1 TYR 446 -1.636 -7.952 -3.946 132 HD2 TYR 446 HD2 TYR 446 1.290 -6.175 -1.420 133 HE1 TYR 446 HE1 TYR 446 0.141 -8.790 -5.425 134 HE2 TYR 446 HE2 TYR 446 3.076 -7.002 -2.892 135 HH TYR 446 HH TYR 446 3.447 -8.758 -4.532 136 H TYR 447 HN TYR 447 -1.828 -3.347 -0.351 137 HA TYR 447 HA TYR 447 0.108 -1.772 -1.860 138 HB2 TYR 447 HB2 TYR 447 -1.365 -1.169 0.718 139 HB3 TYR 447 HB1 TYR 447 -0.313 -0.047 -0.136 140 HD1 TYR 447 HD1 TYR 447 -0.992 0.844 -2.350 141 HD2 TYR 447 HD2 TYR 447 -3.614 -1.542 0.005 142 HE1 TYR 447 HE1 TYR 447 -2.899 1.612 -3.702 143 HE2 TYR 447 HE2 TYR 447 -5.525 -0.780 -1.339 144 HH TYR 447 HH TYR 447 -5.161 0.860 -4.290 145 H TYR 448 HN TYR 448 2.211 -1.803 -1.428 146 HA TYR 448 HA TYR 448 3.094 -3.259 0.982 147 HB2 TYR 448 HB2 TYR 448 3.525 -4.402 -1.176 148 HB3 TYR 448 HB1 TYR 448 4.467 -3.014 -1.704 149 HD1 TYR 448 HD1 TYR 448 4.383 -5.885 0.599 150 HD2 TYR 448 HD2 TYR 448 6.712 -2.671 -0.929 151 HE1 TYR 448 HE1 TYR 448 6.404 -6.891 1.578 152 HE2 TYR 448 HE2 TYR 448 8.736 -3.666 0.045 153 HH TYR 448 HH TYR 448 9.358 -5.213 1.828 154 H ASN 449 HN ASN 449 4.250 -2.140 2.417 155 HA ASN 449 HA ASN 449 5.703 0.252 1.482 156 HB2 ASN 449 HB2 ASN 449 3.781 0.724 3.044 157 HB3 ASN 449 HB1 ASN 449 4.633 -0.198 4.278 158 HD21 ASN 449 HD21 ASN 449 3.852 2.636 4.180 159 HD22 ASN 449 HD22 ASN 449 5.313 3.529 4.409 160 H ASN 450 HN ASN 450 7.828 0.368 1.910 161 HA ASN 450 HA ASN 450 9.074 -2.080 2.799 162 HB2 ASN 450 HB2 ASN 450 10.204 0.434 1.579 163 HB3 ASN 450 HB1 ASN 450 11.204 -0.919 2.097 164 HD21 ASN 450 HD21 ASN 450 9.039 0.292 -0.293 165 HD22 ASN 450 HD22 ASN 450 9.157 -1.048 -1.381 166 H ARG 451 HN ARG 451 8.523 1.091 4.172 167 HA ARG 451 HA ARG 451 10.530 0.587 6.223 168 HB2 ARG 451 HB2 ARG 451 9.675 2.735 7.253 169 HB3 ARG 451 HB1 ARG 451 10.438 2.874 5.679 170 HG2 ARG 451 HG2 ARG 451 8.577 4.300 5.645 171 HG3 ARG 451 HG1 ARG 451 8.132 2.895 4.683 172 HD2 ARG 451 HD2 ARG 451 6.250 3.401 5.999 173 HD3 ARG 451 HD1 ARG 451 6.996 1.996 6.749 174 HE ARG 451 HE ARG 451 8.030 3.731 8.319 175 HH11 ARG 451 HH11 ARG 451 4.902 4.052 6.782 176 HH12 ARG 451 HH12 ARG 451 4.219 5.034 8.036 177 HH21 ARG 451 HH21 ARG 451 7.120 5.011 10.028 178 HH22 ARG 451 HH22 ARG 451 5.472 5.562 9.890 179 H THR 452 HN THR 452 7.348 -0.215 5.646 180 HA THR 452 HA THR 452 6.838 -0.710 8.493 181 HB THR 452 HB THR 452 4.890 -1.125 6.221 182 HG1 THR 452 HG1 THR 452 4.645 1.145 7.799 183 HG21 THR 452 HG21 THR 452 4.487 -0.636 9.178 184 HG22 THR 452 HG22 THR 452 4.315 -2.189 8.359 185 HG23 THR 452 HG23 THR 452 3.209 -0.867 7.985 186 H LEU 453 HN LEU 453 7.581 -2.213 5.470 187 HA LEU 453 HA LEU 453 8.096 -4.335 4.849 188 HB2 LEU 453 HB2 LEU 453 8.112 -4.834 7.830 189 HB3 LEU 453 HB1 LEU 453 8.645 -5.991 6.627 190 HG LEU 453 HG LEU 453 9.914 -3.297 7.128 191 HD11 LEU 453 HD11 LEU 453 11.769 -4.600 8.047 192 HD12 LEU 453 HD12 LEU 453 10.831 -6.080 7.840 193 HD13 LEU 453 HD13 LEU 453 10.286 -4.840 8.971 194 HD21 LEU 453 HD21 LEU 453 11.668 -4.092 5.633 195 HD22 LEU 453 HD22 LEU 453 10.112 -4.034 4.804 196 HD23 LEU 453 HD23 LEU 453 10.763 -5.580 5.348 197 H GLU 454 HN GLU 454 5.332 -3.426 5.189 198 HA GLU 454 HA GLU 454 4.008 -6.005 5.671 199 HB2 GLU 454 HB2 GLU 454 3.280 -3.354 6.913 200 HB3 GLU 454 HB1 GLU 454 2.168 -4.717 6.847 201 HG2 GLU 454 HG2 GLU 454 3.719 -6.067 8.142 202 HG3 GLU 454 HG1 GLU 454 4.872 -4.735 8.175 203 H SER 455 HN SER 455 2.045 -6.320 4.637 204 HA SER 455 HA SER 455 1.481 -4.435 2.439 205 HB2 SER 455 HB2 SER 455 1.058 -7.434 2.438 206 HB3 SER 455 HB1 SER 455 0.862 -6.336 1.070 207 HG SER 455 HG SER 455 3.259 -5.878 1.821 208 H TYR 456 HN TYR 456 -0.490 -3.550 2.506 209 HA TYR 456 HA TYR 456 -2.590 -4.931 4.059 210 HB2 TYR 456 HB2 TYR 456 -2.247 -1.957 3.598 211 HB3 TYR 456 HB1 TYR 456 -3.589 -2.703 4.458 212 HD1 TYR 456 HD1 TYR 456 -2.127 -4.724 6.080 213 HD2 TYR 456 HD2 TYR 456 -1.218 -0.655 5.230 214 HE1 TYR 456 HE1 TYR 456 -0.861 -4.580 8.183 215 HE2 TYR 456 HE2 TYR 456 0.062 -0.500 7.329 216 HH TYR 456 HH TYR 456 0.892 -3.261 9.205 217 H TRP 457 HN TRP 457 -4.595 -5.168 3.140 218 HA TRP 457 HA TRP 457 -4.770 -4.685 0.274 219 HB2 TRP 457 HB2 TRP 457 -6.740 -6.031 2.142 220 HB3 TRP 457 HB1 TRP 457 -6.821 -6.022 0.383 221 HD1 TRP 457 HD1 TRP 457 -4.888 -7.605 3.286 222 HE1 TRP 457 HE1 TRP 457 -3.584 -9.643 2.406 223 HE3 TRP 457 HE3 TRP 457 -5.762 -7.020 -1.721 224 HZ2 TRP 457 HZ2 TRP 457 -3.009 -10.844 -0.086 225 HZ3 TRP 457 HZ3 TRP 457 -4.798 -8.660 -3.284 226 HH2 TRP 457 HH2 TRP 457 -3.450 -10.531 -2.480 227 H GLU 458 HN GLU 458 -5.321 -2.974 2.980 228 HA GLU 458 HA GLU 458 -7.480 -1.376 1.778 229 HB2 GLU 458 HB2 GLU 458 -7.877 -0.520 4.085 230 HB3 GLU 458 HB1 GLU 458 -8.163 -2.248 3.933 231 HG2 GLU 458 HG2 GLU 458 -6.083 -2.749 5.004 232 HG3 GLU 458 HG1 GLU 458 -5.618 -1.049 4.999 233 H LYS 459 HN LYS 459 -7.216 0.908 1.788 234 HA LYS 459 HA LYS 459 -4.500 1.715 1.366 235 HB2 LYS 459 HB2 LYS 459 -7.000 3.399 1.489 236 HB3 LYS 459 HB1 LYS 459 -5.438 3.929 0.889 237 HG2 LYS 459 HG2 LYS 459 -5.628 2.093 -0.839 238 HG3 LYS 459 HG1 LYS 459 -7.313 1.930 -0.332 239 HD2 LYS 459 HD2 LYS 459 -7.532 4.421 -0.759 240 HD3 LYS 459 HD1 LYS 459 -5.960 4.324 -1.554 241 HE2 LYS 459 HE2 LYS 459 -7.715 4.168 -3.205 242 HE3 LYS 459 HE1 LYS 459 -6.869 2.625 -3.087 243 HZ1 LYS 459 HZ1 LYS 459 -9.422 2.639 -3.148 244 HZ2 LYS 459 HZ2 LYS 459 -9.318 3.104 -1.518 245 HZ3 LYS 459 HZ3 LYS 459 -8.646 1.630 -2.026 246 HA PRO 460 HA PRO 460 -3.734 3.135 5.540 247 HB2 PRO 460 HB2 PRO 460 -1.277 4.120 5.076 248 HB3 PRO 460 HB1 PRO 460 -1.580 2.380 5.130 249 HG2 PRO 460 HG2 PRO 460 -1.329 4.181 2.746 250 HG3 PRO 460 HG1 PRO 460 -0.602 2.586 3.022 251 HD2 PRO 460 HD2 PRO 460 -2.845 2.944 1.538 252 HD3 PRO 460 HD1 PRO 460 -2.540 1.470 2.479 253 H GLN 461 HN GLN 461 -3.713 5.128 6.606 254 HA GLN 461 HA GLN 461 -4.783 7.356 5.204 255 HB2 GLN 461 HB2 GLN 461 -5.167 6.747 7.632 256 HB3 GLN 461 HB1 GLN 461 -3.561 7.377 7.965 257 HG2 GLN 461 HG2 GLN 461 -5.284 9.004 8.498 258 HG3 GLN 461 HG1 GLN 461 -4.245 9.581 7.195 259 HE21 GLN 461 HE21 GLN 461 -5.838 11.032 6.501 260 HE22 GLN 461 HE22 GLN 461 -7.230 10.495 5.626 261 H GLU 462 HN GLU 462 -1.662 6.226 5.366 262 HA GLU 462 HA GLU 462 -0.323 8.791 5.243 263 HB2 GLU 462 HB2 GLU 462 0.793 6.063 4.572 264 HB3 GLU 462 HB1 GLU 462 1.707 7.522 4.918 265 HG2 GLU 462 HG2 GLU 462 0.893 7.478 7.226 266 HG3 GLU 462 HG1 GLU 462 -0.014 6.008 6.872 267 H LEU 463 HN LEU 463 -2.073 6.861 3.126 268 HA LEU 463 HA LEU 463 -0.517 7.647 0.774 269 HB2 LEU 463 HB2 LEU 463 -1.177 5.281 1.012 270 HB3 LEU 463 HB1 LEU 463 -2.863 5.759 1.013 271 HG LEU 463 HG LEU 463 -2.590 6.615 -1.300 272 HD11 LEU 463 HD11 LEU 463 -0.595 6.001 -2.568 273 HD12 LEU 463 HD12 LEU 463 0.147 5.366 -1.099 274 HD13 LEU 463 HD13 LEU 463 -0.203 7.088 -1.235 275 HD21 LEU 463 HD21 LEU 463 -3.462 4.378 -0.909 276 HD22 LEU 463 HD22 LEU 463 -1.823 3.728 -0.884 277 HD23 LEU 463 HD23 LEU 463 -2.476 4.416 -2.371 278 H LYS 464 HN LYS 464 -3.577 8.184 2.360 279 HA LYS 464 HA LYS 464 -4.212 10.189 0.305 280 HB2 LYS 464 HB2 LYS 464 -6.226 8.545 1.854 281 HB3 LYS 464 HB1 LYS 464 -6.594 9.777 0.658 282 HG2 LYS 464 HG2 LYS 464 -5.240 7.136 0.158 283 HG3 LYS 464 HG1 LYS 464 -6.886 7.581 -0.283 284 HD2 LYS 464 HD2 LYS 464 -4.423 8.966 -1.337 285 HD3 LYS 464 HD1 LYS 464 -5.233 7.637 -2.162 286 HE2 LYS 464 HE2 LYS 464 -6.065 9.565 -3.193 287 HE3 LYS 464 HE1 LYS 464 -7.333 9.087 -2.069 288 HZ1 LYS 464 HZ1 LYS 464 -5.287 11.095 -1.331 289 HZ2 LYS 464 HZ2 LYS 464 -6.813 10.830 -0.634 290 HZ3 LYS 464 HZ3 LYS 464 -6.692 11.525 -2.169 Start of MODEL 10 1 H1 GLY 428 HT1 GLY 428 19.474 15.235 4.901 2 H2 GLY 428 HT2 GLY 428 19.616 13.639 5.457 3 H3 GLY 428 HT3 GLY 428 18.201 14.523 5.769 4 HA2 GLY 428 HA1 GLY 428 17.674 14.592 3.426 5 HA3 GLY 428 HA2 GLY 428 19.159 13.715 3.081 6 H ALA 429 HN ALA 429 15.887 13.482 4.268 7 HA ALA 429 HA ALA 429 16.189 10.612 4.717 8 HB1 ALA 429 HB1 ALA 429 13.801 12.419 5.111 9 HB2 ALA 429 HB2 ALA 429 14.898 11.838 6.364 10 HB3 ALA 429 HB3 ALA 429 13.858 10.702 5.505 11 H THR 430 HN THR 430 14.035 12.754 2.841 12 HA THR 430 HA THR 430 13.151 12.597 0.770 13 HB THR 430 HB THR 430 15.067 10.289 0.393 14 HG1 THR 430 HG1 THR 430 15.190 13.088 -0.124 15 HG21 THR 430 HG21 THR 430 13.474 11.861 -1.641 16 HG22 THR 430 HG22 THR 430 13.220 10.171 -1.206 17 HG23 THR 430 HG23 THR 430 14.709 10.658 -2.015 18 H ALA 431 HN ALA 431 13.640 9.243 1.925 19 HA ALA 431 HA ALA 431 11.138 8.419 0.765 20 HB1 ALA 431 HB1 ALA 431 11.680 6.216 1.648 21 HB2 ALA 431 HB2 ALA 431 13.021 6.901 2.567 22 HB3 ALA 431 HB3 ALA 431 13.065 6.910 0.804 23 H VAL 432 HN VAL 432 9.363 9.209 1.714 24 HA VAL 432 HA VAL 432 8.956 8.515 4.536 25 HB VAL 432 HB VAL 432 7.536 10.598 4.765 26 HG11 VAL 432 HG11 VAL 432 10.493 10.983 4.311 27 HG12 VAL 432 HG12 VAL 432 9.734 10.418 5.799 28 HG13 VAL 432 HG13 VAL 432 9.444 12.062 5.230 29 HG21 VAL 432 HG21 VAL 432 7.293 11.127 2.391 30 HG22 VAL 432 HG22 VAL 432 9.027 11.426 2.275 31 HG23 VAL 432 HG23 VAL 432 8.017 12.475 3.269 32 H SER 433 HN SER 433 7.211 7.301 4.813 33 HA SER 433 HA SER 433 5.397 6.044 4.361 34 HB2 SER 433 HB2 SER 433 4.543 8.566 2.928 35 HB3 SER 433 HB1 SER 433 3.491 7.169 3.152 36 HG SER 433 HG SER 433 3.246 7.651 5.190 37 H GLU 434 HN GLU 434 6.914 4.731 3.180 38 HA GLU 434 HA GLU 434 6.838 4.913 0.283 39 HB2 GLU 434 HB2 GLU 434 8.149 2.682 1.795 40 HB3 GLU 434 HB1 GLU 434 8.599 3.399 0.257 41 HG2 GLU 434 HG2 GLU 434 10.234 4.284 1.550 42 HG3 GLU 434 HG1 GLU 434 9.004 5.524 1.781 43 H TRP 435 HN TRP 435 4.870 4.271 -0.450 44 HA TRP 435 HA TRP 435 4.032 1.536 0.244 45 HB2 TRP 435 HB2 TRP 435 2.253 3.943 -0.179 46 HB3 TRP 435 HB1 TRP 435 1.678 2.288 -0.017 47 HD1 TRP 435 HD1 TRP 435 3.173 5.154 2.040 48 HE1 TRP 435 HE1 TRP 435 2.719 4.685 4.530 49 HE3 TRP 435 HE3 TRP 435 1.332 0.408 1.629 50 HZ2 TRP 435 HZ2 TRP 435 1.738 2.557 6.109 51 HZ3 TRP 435 HZ3 TRP 435 0.666 -0.781 3.674 52 HH2 TRP 435 HH2 TRP 435 0.864 0.272 5.869 53 H THR 436 HN THR 436 4.200 0.305 -1.499 54 HA THR 436 HA THR 436 3.614 1.514 -4.120 55 HB THR 436 HB THR 436 5.073 -1.091 -3.663 56 HG1 THR 436 HG1 THR 436 5.995 1.578 -3.568 57 HG21 THR 436 HG21 THR 436 4.157 -0.721 -5.907 58 HG22 THR 436 HG22 THR 436 5.921 -0.673 -5.926 59 HG23 THR 436 HG23 THR 436 4.994 0.827 -5.998 60 H GLU 437 HN GLU 437 1.688 1.004 -4.943 61 HA GLU 437 HA GLU 437 0.232 -1.258 -3.857 62 HB2 GLU 437 HB2 GLU 437 -1.617 -0.285 -5.390 63 HB3 GLU 437 HB1 GLU 437 -1.185 0.555 -3.910 64 HG2 GLU 437 HG2 GLU 437 0.168 2.124 -5.171 65 HG3 GLU 437 HG1 GLU 437 -0.192 1.258 -6.663 66 H TYR 438 HN TYR 438 0.347 -3.151 -4.723 67 HA TYR 438 HA TYR 438 1.067 -3.403 -7.555 68 HB2 TYR 438 HB2 TYR 438 1.261 -5.329 -5.240 69 HB3 TYR 438 HB1 TYR 438 1.547 -5.803 -6.911 70 HD1 TYR 438 HD1 TYR 438 3.424 -4.709 -8.171 71 HD2 TYR 438 HD2 TYR 438 2.952 -4.275 -3.967 72 HE1 TYR 438 HE1 TYR 438 5.768 -4.001 -7.988 73 HE2 TYR 438 HE2 TYR 438 5.301 -3.564 -3.772 74 HH TYR 438 HH TYR 438 7.402 -3.751 -4.996 75 H LYS 439 HN LYS 439 -0.345 -4.102 -8.982 76 HA LYS 439 HA LYS 439 -2.935 -5.112 -8.063 77 HB2 LYS 439 HB2 LYS 439 -3.033 -3.203 -9.555 78 HB3 LYS 439 HB1 LYS 439 -2.017 -4.019 -10.732 79 HG2 LYS 439 HG2 LYS 439 -4.302 -4.046 -11.475 80 HG3 LYS 439 HG1 LYS 439 -3.799 -5.688 -11.075 81 HD2 LYS 439 HD2 LYS 439 -6.012 -5.337 -10.221 82 HD3 LYS 439 HD1 LYS 439 -4.893 -5.421 -8.860 83 HE2 LYS 439 HE2 LYS 439 -6.447 -3.635 -8.479 84 HE3 LYS 439 HE1 LYS 439 -4.858 -2.947 -8.798 85 HZ1 LYS 439 HZ1 LYS 439 -6.699 -1.793 -9.935 86 HZ2 LYS 439 HZ2 LYS 439 -7.006 -3.199 -10.834 87 HZ3 LYS 439 HZ3 LYS 439 -5.525 -2.387 -11.008 88 H THR 440 HN THR 440 -3.417 -7.197 -8.238 89 HA THR 440 HA THR 440 -1.659 -8.968 -9.738 90 HB THR 440 HB THR 440 -2.955 -10.798 -8.741 91 HG1 THR 440 HG1 THR 440 -4.868 -10.444 -7.924 92 HG21 THR 440 HG21 THR 440 -2.388 -10.419 -6.390 93 HG22 THR 440 HG22 THR 440 -2.183 -8.698 -6.716 94 HG23 THR 440 HG23 THR 440 -1.094 -9.872 -7.456 95 H ALA 441 HN ALA 441 -2.432 -10.398 -11.358 96 HA ALA 441 HA ALA 441 -3.957 -9.225 -13.341 97 HB1 ALA 441 HB1 ALA 441 -3.509 -12.176 -12.925 98 HB2 ALA 441 HB2 ALA 441 -2.396 -11.065 -13.724 99 HB3 ALA 441 HB3 ALA 441 -3.976 -11.394 -14.434 100 H ASP 442 HN ASP 442 -5.069 -11.152 -10.629 101 HA ASP 442 HA ASP 442 -7.687 -11.563 -11.814 102 HB2 ASP 442 HB2 ASP 442 -8.230 -12.845 -9.847 103 HB3 ASP 442 HB1 ASP 442 -6.635 -13.323 -10.410 104 H GLY 443 HN GLY 443 -6.249 -8.988 -10.386 105 HA2 GLY 443 HA2 GLY 443 -7.349 -6.933 -10.148 106 HA3 GLY 443 HA1 GLY 443 -8.870 -7.787 -9.980 107 H LYS 444 HN LYS 444 -5.937 -8.378 -8.079 108 HA LYS 444 HA LYS 444 -7.333 -7.229 -5.749 109 HB2 LYS 444 HB2 LYS 444 -5.203 -9.371 -5.877 110 HB3 LYS 444 HB1 LYS 444 -5.737 -8.617 -4.383 111 HG2 LYS 444 HG2 LYS 444 -8.063 -9.424 -4.965 112 HG3 LYS 444 HG1 LYS 444 -7.299 -10.396 -6.227 113 HD2 LYS 444 HD2 LYS 444 -5.953 -11.549 -4.584 114 HD3 LYS 444 HD1 LYS 444 -6.567 -10.506 -3.301 115 HE2 LYS 444 HE2 LYS 444 -7.775 -12.508 -3.103 116 HE3 LYS 444 HE1 LYS 444 -8.873 -11.381 -3.898 117 HZ1 LYS 444 HZ1 LYS 444 -8.036 -12.420 -6.052 118 HZ2 LYS 444 HZ2 LYS 444 -9.070 -13.356 -5.084 119 HZ3 LYS 444 HZ3 LYS 444 -7.403 -13.660 -5.076 120 H THR 445 HN THR 445 -6.296 -5.678 -4.536 121 HA THR 445 HA THR 445 -3.684 -4.774 -5.573 122 HB THR 445 HB THR 445 -5.679 -2.941 -4.254 123 HG1 THR 445 HG1 THR 445 -6.872 -3.263 -5.976 124 HG21 THR 445 HG21 THR 445 -3.409 -2.454 -6.188 125 HG22 THR 445 HG22 THR 445 -3.364 -2.158 -4.450 126 HG23 THR 445 HG23 THR 445 -4.444 -1.216 -5.477 127 H TYR 446 HN TYR 446 -2.130 -5.175 -4.106 128 HA TYR 446 HA TYR 446 -2.811 -4.694 -1.285 129 HB2 TYR 446 HB2 TYR 446 -1.035 -6.265 -0.644 130 HB3 TYR 446 HB1 TYR 446 -2.277 -7.042 -1.614 131 HD1 TYR 446 HD1 TYR 446 -1.781 -7.687 -3.960 132 HD2 TYR 446 HD2 TYR 446 1.226 -6.154 -1.370 133 HE1 TYR 446 HE1 TYR 446 -0.044 -8.591 -5.445 134 HE2 TYR 446 HE2 TYR 446 2.968 -7.051 -2.853 135 HH TYR 446 HH TYR 446 2.299 -8.213 -5.992 136 H TYR 447 HN TYR 447 -1.677 -3.292 -0.171 137 HA TYR 447 HA TYR 447 0.254 -1.666 -1.636 138 HB2 TYR 447 HB2 TYR 447 -1.096 -1.057 0.998 139 HB3 TYR 447 HB1 TYR 447 -0.256 0.077 -0.058 140 HD1 TYR 447 HD1 TYR 447 -1.290 0.771 -2.197 141 HD2 TYR 447 HD2 TYR 447 -3.362 -1.707 0.567 142 HE1 TYR 447 HE1 TYR 447 -3.402 1.241 -3.364 143 HE2 TYR 447 HE2 TYR 447 -5.479 -1.241 -0.591 144 HH TYR 447 HH TYR 447 -6.419 0.555 -2.051 145 H TYR 448 HN TYR 448 2.302 -2.048 -1.332 146 HA TYR 448 HA TYR 448 3.152 -3.491 1.072 147 HB2 TYR 448 HB2 TYR 448 3.598 -4.363 -1.276 148 HB3 TYR 448 HB1 TYR 448 4.718 -3.023 -1.467 149 HD1 TYR 448 HD1 TYR 448 4.081 -6.182 0.312 150 HD2 TYR 448 HD2 TYR 448 6.886 -3.069 -0.434 151 HE1 TYR 448 HE1 TYR 448 5.868 -7.568 1.277 152 HE2 TYR 448 HE2 TYR 448 8.678 -4.447 0.532 153 HH TYR 448 HH TYR 448 8.313 -7.772 1.127 154 H ASN 449 HN ASN 449 4.027 -2.327 2.645 155 HA ASN 449 HA ASN 449 5.337 0.221 2.015 156 HB2 ASN 449 HB2 ASN 449 3.693 0.333 3.798 157 HB3 ASN 449 HB1 ASN 449 4.481 -0.986 4.657 158 HD21 ASN 449 HD21 ASN 449 4.648 2.383 3.795 159 HD22 ASN 449 HD22 ASN 449 5.881 2.812 4.930 160 H ASN 450 HN ASN 450 7.461 0.293 1.819 161 HA ASN 450 HA ASN 450 9.012 -2.080 2.196 162 HB2 ASN 450 HB2 ASN 450 9.918 0.705 1.438 163 HB3 ASN 450 HB1 ASN 450 10.898 -0.752 1.332 164 HD21 ASN 450 HD21 ASN 450 10.095 1.129 -0.741 165 HD22 ASN 450 HD22 ASN 450 9.277 0.187 -1.941 166 H ARG 451 HN ARG 451 8.274 0.550 4.219 167 HA ARG 451 HA ARG 451 10.765 0.622 5.642 168 HB2 ARG 451 HB2 ARG 451 9.102 2.538 5.397 169 HB3 ARG 451 HB1 ARG 451 8.118 1.708 6.590 170 HG2 ARG 451 HG2 ARG 451 9.313 3.334 7.776 171 HG3 ARG 451 HG1 ARG 451 10.129 1.808 8.122 172 HD2 ARG 451 HD2 ARG 451 11.041 3.620 5.909 173 HD3 ARG 451 HD1 ARG 451 11.575 3.856 7.570 174 HE ARG 451 HE ARG 451 12.459 1.521 7.421 175 HH11 ARG 451 HH11 ARG 451 11.876 3.315 4.457 176 HH12 ARG 451 HH12 ARG 451 13.248 2.622 3.632 177 HH21 ARG 451 HH21 ARG 451 14.238 0.586 6.305 178 HH22 ARG 451 HH22 ARG 451 14.575 1.086 4.669 179 H THR 452 HN THR 452 7.690 -0.993 5.997 180 HA THR 452 HA THR 452 8.655 -2.235 8.493 181 HB THR 452 HB THR 452 6.183 -2.564 9.000 182 HG1 THR 452 HG1 THR 452 5.851 -0.478 7.088 183 HG21 THR 452 HG21 THR 452 7.527 -0.877 10.148 184 HG22 THR 452 HG22 THR 452 5.900 -0.272 9.843 185 HG23 THR 452 HG23 THR 452 7.242 0.261 8.832 186 H LEU 453 HN LEU 453 8.101 -2.820 5.311 187 HA LEU 453 HA LEU 453 7.899 -4.672 4.014 188 HB2 LEU 453 HB2 LEU 453 8.326 -6.162 6.610 189 HB3 LEU 453 HB1 LEU 453 8.407 -6.870 5.008 190 HG LEU 453 HG LEU 453 10.275 -4.757 6.094 191 HD11 LEU 453 HD11 LEU 453 10.624 -6.927 7.134 192 HD12 LEU 453 HD12 LEU 453 11.950 -6.538 6.038 193 HD13 LEU 453 HD13 LEU 453 10.709 -7.688 5.545 194 HD21 LEU 453 HD21 LEU 453 10.302 -6.243 3.470 195 HD22 LEU 453 HD22 LEU 453 11.561 -5.153 4.049 196 HD23 LEU 453 HD23 LEU 453 9.951 -4.528 3.692 197 H GLU 454 HN GLU 454 5.618 -3.436 5.436 198 HA GLU 454 HA GLU 454 3.839 -5.656 6.048 199 HB2 GLU 454 HB2 GLU 454 3.675 -2.679 6.404 200 HB3 GLU 454 HB1 GLU 454 2.245 -3.690 6.568 201 HG2 GLU 454 HG2 GLU 454 4.784 -4.050 8.141 202 HG3 GLU 454 HG1 GLU 454 3.357 -3.183 8.712 203 H SER 455 HN SER 455 2.218 -6.334 4.842 204 HA SER 455 HA SER 455 1.588 -4.849 2.377 205 HB2 SER 455 HB2 SER 455 2.650 -7.013 1.918 206 HB3 SER 455 HB1 SER 455 1.452 -7.832 2.918 207 HG SER 455 HG SER 455 0.072 -7.759 1.331 208 H TYR 456 HN TYR 456 -0.318 -3.843 2.556 209 HA TYR 456 HA TYR 456 -2.468 -5.193 4.066 210 HB2 TYR 456 HB2 TYR 456 -1.992 -2.218 3.752 211 HB3 TYR 456 HB1 TYR 456 -3.378 -2.940 4.562 212 HD1 TYR 456 HD1 TYR 456 -2.400 -4.917 6.316 213 HD2 TYR 456 HD2 TYR 456 -0.551 -1.244 5.240 214 HE1 TYR 456 HE1 TYR 456 -1.161 -4.924 8.441 215 HE2 TYR 456 HE2 TYR 456 0.698 -1.243 7.356 216 HH TYR 456 HH TYR 456 0.994 -3.938 9.324 217 H TRP 457 HN TRP 457 -4.404 -5.446 3.063 218 HA TRP 457 HA TRP 457 -4.506 -4.895 0.226 219 HB2 TRP 457 HB2 TRP 457 -6.620 -6.080 2.039 220 HB3 TRP 457 HB1 TRP 457 -6.654 -6.074 0.281 221 HD1 TRP 457 HD1 TRP 457 -5.023 -7.836 3.240 222 HE1 TRP 457 HE1 TRP 457 -3.854 -9.969 2.398 223 HE3 TRP 457 HE3 TRP 457 -5.480 -7.072 -1.793 224 HZ2 TRP 457 HZ2 TRP 457 -3.199 -11.160 -0.079 225 HZ3 TRP 457 HZ3 TRP 457 -4.550 -8.751 -3.330 226 HH2 TRP 457 HH2 TRP 457 -3.432 -10.752 -2.490 227 H GLU 458 HN GLU 458 -4.948 -3.003 2.789 228 HA GLU 458 HA GLU 458 -7.089 -1.415 1.535 229 HB2 GLU 458 HB2 GLU 458 -6.528 -1.767 4.493 230 HB3 GLU 458 HB1 GLU 458 -7.745 -0.697 3.810 231 HG2 GLU 458 HG2 GLU 458 -8.963 -2.585 2.924 232 HG3 GLU 458 HG1 GLU 458 -7.708 -3.689 3.484 233 H LYS 459 HN LYS 459 -6.825 0.825 1.604 234 HA LYS 459 HA LYS 459 -4.005 1.526 1.549 235 HB2 LYS 459 HB2 LYS 459 -5.191 2.098 -0.425 236 HB3 LYS 459 HB1 LYS 459 -6.487 2.857 0.487 237 HG2 LYS 459 HG2 LYS 459 -5.176 4.733 1.004 238 HG3 LYS 459 HG1 LYS 459 -3.680 3.916 0.546 239 HD2 LYS 459 HD2 LYS 459 -5.884 4.477 -1.420 240 HD3 LYS 459 HD1 LYS 459 -4.591 5.632 -1.090 241 HE2 LYS 459 HE2 LYS 459 -2.931 3.950 -1.728 242 HE3 LYS 459 HE1 LYS 459 -4.224 2.799 -2.059 243 HZ1 LYS 459 HZ1 LYS 459 -4.999 4.154 -3.841 244 HZ2 LYS 459 HZ2 LYS 459 -3.331 3.911 -4.056 245 HZ3 LYS 459 HZ3 LYS 459 -3.907 5.396 -3.456 246 HA PRO 460 HA PRO 460 -4.252 3.761 5.419 247 HB2 PRO 460 HB2 PRO 460 -1.753 4.835 5.225 248 HB3 PRO 460 HB1 PRO 460 -2.054 3.176 5.752 249 HG2 PRO 460 HG2 PRO 460 -1.236 4.187 3.055 250 HG3 PRO 460 HG1 PRO 460 -0.637 2.780 3.953 251 HD2 PRO 460 HD2 PRO 460 -2.430 2.553 1.953 252 HD3 PRO 460 HD1 PRO 460 -2.448 1.477 3.366 253 H GLN 461 HN GLN 461 -4.527 5.911 6.007 254 HA GLN 461 HA GLN 461 -5.478 7.574 3.886 255 HB2 GLN 461 HB2 GLN 461 -6.629 7.372 6.066 256 HB3 GLN 461 HB1 GLN 461 -5.267 8.159 6.846 257 HG2 GLN 461 HG2 GLN 461 -7.050 9.737 6.555 258 HG3 GLN 461 HG1 GLN 461 -5.701 10.181 5.513 259 HE21 GLN 461 HE21 GLN 461 -7.964 7.587 4.826 260 HE22 GLN 461 HE22 GLN 461 -8.714 8.354 3.464 261 H GLU 462 HN GLU 462 -2.382 7.186 5.103 262 HA GLU 462 HA GLU 462 -1.711 10.001 4.791 263 HB2 GLU 462 HB2 GLU 462 0.667 9.086 5.344 264 HB3 GLU 462 HB1 GLU 462 -0.533 9.260 6.610 265 HG2 GLU 462 HG2 GLU 462 0.389 7.199 7.052 266 HG3 GLU 462 HG1 GLU 462 -1.065 6.785 6.148 267 H LEU 463 HN LEU 463 -1.661 7.108 2.981 268 HA LEU 463 HA LEU 463 0.257 8.044 1.041 269 HB2 LEU 463 HB2 LEU 463 0.018 5.654 1.444 270 HB3 LEU 463 HB1 LEU 463 -1.676 5.724 0.997 271 HG LEU 463 HG LEU 463 -0.985 6.381 -1.310 272 HD11 LEU 463 HD11 LEU 463 1.200 7.314 -0.789 273 HD12 LEU 463 HD12 LEU 463 1.338 6.020 -1.979 274 HD13 LEU 463 HD13 LEU 463 1.777 5.721 -0.298 275 HD21 LEU 463 HD21 LEU 463 -1.562 4.079 -0.791 276 HD22 LEU 463 HD22 LEU 463 0.096 3.762 -0.278 277 HD23 LEU 463 HD23 LEU 463 -0.248 4.139 -1.966 278 H LYS 464 HN LYS 464 -3.242 7.439 1.070 279 HA LYS 464 HA LYS 464 -4.985 8.335 -0.077 280 HB2 LYS 464 HB2 LYS 464 -3.061 10.623 -0.533 281 HB3 LYS 464 HB1 LYS 464 -4.794 10.682 -0.821 282 HG2 LYS 464 HG2 LYS 464 -5.291 10.572 1.462 283 HG3 LYS 464 HG1 LYS 464 -3.664 10.025 1.875 284 HD2 LYS 464 HD2 LYS 464 -2.774 12.208 1.185 285 HD3 LYS 464 HD1 LYS 464 -4.414 12.749 0.818 286 HE2 LYS 464 HE2 LYS 464 -5.056 12.643 3.092 287 HE3 LYS 464 HE1 LYS 464 -3.604 11.745 3.535 288 HZ1 LYS 464 HZ1 LYS 464 -3.528 14.112 4.164 289 HZ2 LYS 464 HZ2 LYS 464 -3.602 14.535 2.522 290 HZ3 LYS 464 HZ3 LYS 464 -2.274 13.666 3.115 Start of MODEL 11 1 H1 GLY 428 HT1 GLY 428 10.266 9.583 -4.452 2 H2 GLY 428 HT2 GLY 428 11.645 8.618 -4.267 3 H3 GLY 428 HT3 GLY 428 11.286 9.310 -5.772 4 HA2 GLY 428 HA1 GLY 428 13.059 10.540 -4.748 5 HA3 GLY 428 HA2 GLY 428 11.610 11.528 -4.854 6 H ALA 429 HN ALA 429 11.884 12.861 -3.136 7 HA ALA 429 HA ALA 429 12.506 11.653 -0.536 8 HB1 ALA 429 HB1 ALA 429 13.906 13.544 -1.238 9 HB2 ALA 429 HB2 ALA 429 12.996 13.909 0.228 10 HB3 ALA 429 HB3 ALA 429 12.472 14.566 -1.323 11 H THR 430 HN THR 430 10.448 10.731 -0.274 12 HA THR 430 HA THR 430 8.609 12.318 1.154 13 HB THR 430 HB THR 430 7.955 13.113 -1.083 14 HG1 THR 430 HG1 THR 430 5.950 13.083 -0.420 15 HG21 THR 430 HG21 THR 430 8.646 11.175 -2.400 16 HG22 THR 430 HG22 THR 430 6.957 11.578 -2.713 17 HG23 THR 430 HG23 THR 430 7.360 10.211 -1.672 18 H ALA 431 HN ALA 431 6.805 11.014 1.964 19 HA ALA 431 HA ALA 431 7.598 8.275 2.373 20 HB1 ALA 431 HB1 ALA 431 5.133 9.748 3.297 21 HB2 ALA 431 HB2 ALA 431 6.642 9.592 4.195 22 HB3 ALA 431 HB3 ALA 431 5.665 8.164 3.861 23 H VAL 432 HN VAL 432 5.631 9.942 0.165 24 HA VAL 432 HA VAL 432 3.601 8.069 -0.346 25 HB VAL 432 HB VAL 432 4.830 10.047 -2.278 26 HG11 VAL 432 HG11 VAL 432 3.488 8.365 -3.418 27 HG12 VAL 432 HG12 VAL 432 2.675 9.930 -3.441 28 HG13 VAL 432 HG13 VAL 432 2.142 8.676 -2.322 29 HG21 VAL 432 HG21 VAL 432 2.993 11.533 -1.608 30 HG22 VAL 432 HG22 VAL 432 4.050 11.145 -0.250 31 HG23 VAL 432 HG23 VAL 432 2.483 10.349 -0.404 32 H SER 433 HN SER 433 6.898 8.337 -1.568 33 HA SER 433 HA SER 433 6.496 6.339 -3.591 34 HB2 SER 433 HB2 SER 433 9.072 6.553 -3.739 35 HB3 SER 433 HB1 SER 433 8.085 7.937 -4.204 36 HG SER 433 HG SER 433 9.687 7.559 -1.927 37 H GLU 434 HN GLU 434 6.818 6.128 -0.306 38 HA GLU 434 HA GLU 434 8.365 3.656 -0.343 39 HB2 GLU 434 HB2 GLU 434 7.113 5.154 1.966 40 HB3 GLU 434 HB1 GLU 434 8.110 3.712 2.115 41 HG2 GLU 434 HG2 GLU 434 9.965 4.958 1.035 42 HG3 GLU 434 HG1 GLU 434 8.959 6.403 1.078 43 H TRP 435 HN TRP 435 5.257 4.564 -0.896 44 HA TRP 435 HA TRP 435 4.154 2.004 0.034 45 HB2 TRP 435 HB2 TRP 435 2.794 4.547 -0.882 46 HB3 TRP 435 HB1 TRP 435 1.937 3.049 -0.542 47 HD1 TRP 435 HD1 TRP 435 3.395 6.083 1.143 48 HE1 TRP 435 HE1 TRP 435 2.952 5.957 3.673 49 HE3 TRP 435 HE3 TRP 435 1.740 1.253 1.434 50 HZ2 TRP 435 HZ2 TRP 435 2.021 4.062 5.545 51 HZ3 TRP 435 HZ3 TRP 435 1.091 0.365 3.632 52 HH2 TRP 435 HH2 TRP 435 1.228 1.738 5.645 53 H THR 436 HN THR 436 3.985 0.429 -1.429 54 HA THR 436 HA THR 436 3.681 1.173 -4.263 55 HB THR 436 HB THR 436 5.462 -1.045 -3.233 56 HG1 THR 436 HG1 THR 436 5.896 1.604 -3.511 57 HG21 THR 436 HG21 THR 436 4.505 -1.521 -5.436 58 HG22 THR 436 HG22 THR 436 6.232 -1.182 -5.563 59 HG23 THR 436 HG23 THR 436 5.057 0.050 -6.023 60 H GLU 437 HN GLU 437 1.929 0.251 -5.148 61 HA GLU 437 HA GLU 437 0.719 -1.997 -3.739 62 HB2 GLU 437 HB2 GLU 437 -1.302 -1.532 -5.046 63 HB3 GLU 437 HB1 GLU 437 -0.773 -0.123 -4.142 64 HG2 GLU 437 HG2 GLU 437 -0.154 1.025 -6.035 65 HG3 GLU 437 HG1 GLU 437 0.082 -0.447 -6.978 66 H TYR 438 HN TYR 438 0.692 -3.972 -4.484 67 HA TYR 438 HA TYR 438 1.559 -4.452 -7.232 68 HB2 TYR 438 HB2 TYR 438 1.125 -6.331 -4.904 69 HB3 TYR 438 HB1 TYR 438 1.534 -6.870 -6.528 70 HD1 TYR 438 HD1 TYR 438 3.757 -6.386 -7.471 71 HD2 TYR 438 HD2 TYR 438 2.786 -5.358 -3.458 72 HE1 TYR 438 HE1 TYR 438 6.149 -6.130 -6.966 73 HE2 TYR 438 HE2 TYR 438 5.176 -5.098 -2.941 74 HH TYR 438 HH TYR 438 7.589 -4.982 -5.363 75 H LYS 439 HN LYS 439 -0.007 -4.279 -8.642 76 HA LYS 439 HA LYS 439 -2.737 -5.059 -7.976 77 HB2 LYS 439 HB2 LYS 439 -2.537 -2.899 -8.998 78 HB3 LYS 439 HB1 LYS 439 -1.510 -3.530 -10.275 79 HG2 LYS 439 HG2 LYS 439 -3.567 -3.206 -11.299 80 HG3 LYS 439 HG1 LYS 439 -3.516 -4.934 -10.967 81 HD2 LYS 439 HD2 LYS 439 -5.674 -4.288 -10.348 82 HD3 LYS 439 HD1 LYS 439 -4.795 -4.376 -8.822 83 HE2 LYS 439 HE2 LYS 439 -5.041 -1.795 -10.334 84 HE3 LYS 439 HE1 LYS 439 -6.322 -2.342 -9.257 85 HZ1 LYS 439 HZ1 LYS 439 -4.867 -0.872 -8.080 86 HZ2 LYS 439 HZ2 LYS 439 -3.499 -1.772 -8.506 87 HZ3 LYS 439 HZ3 LYS 439 -4.662 -2.437 -7.465 88 H THR 440 HN THR 440 -3.327 -7.090 -8.405 89 HA THR 440 HA THR 440 -1.875 -8.619 -10.408 90 HB THR 440 HB THR 440 -3.039 -10.564 -9.598 91 HG1 THR 440 HG1 THR 440 -4.886 -10.453 -8.566 92 HG21 THR 440 HG21 THR 440 -1.148 -9.819 -8.249 93 HG22 THR 440 HG22 THR 440 -2.387 -10.561 -7.235 94 HG23 THR 440 HG23 THR 440 -2.224 -8.806 -7.285 95 H ALA 441 HN ALA 441 -2.891 -9.676 -12.147 96 HA ALA 441 HA ALA 441 -4.670 -8.110 -13.629 97 HB1 ALA 441 HB1 ALA 441 -4.729 -9.965 -15.200 98 HB2 ALA 441 HB2 ALA 441 -4.024 -11.034 -13.987 99 HB3 ALA 441 HB3 ALA 441 -3.085 -9.685 -14.627 100 H ASP 442 HN ASP 442 -5.264 -10.707 -11.366 101 HA ASP 442 HA ASP 442 -8.008 -11.042 -12.232 102 HB2 ASP 442 HB2 ASP 442 -8.162 -12.827 -10.699 103 HB3 ASP 442 HB1 ASP 442 -6.537 -12.919 -11.360 104 H GLY 443 HN GLY 443 -6.578 -8.660 -10.560 105 HA2 GLY 443 HA2 GLY 443 -7.823 -6.805 -9.848 106 HA3 GLY 443 HA1 GLY 443 -9.205 -7.851 -9.596 107 H LYS 444 HN LYS 444 -6.000 -8.440 -8.243 108 HA LYS 444 HA LYS 444 -7.095 -7.754 -5.596 109 HB2 LYS 444 HB2 LYS 444 -4.975 -9.745 -6.395 110 HB3 LYS 444 HB1 LYS 444 -5.202 -9.218 -4.732 111 HG2 LYS 444 HG2 LYS 444 -7.453 -10.091 -4.720 112 HG3 LYS 444 HG1 LYS 444 -7.319 -10.528 -6.424 113 HD2 LYS 444 HD2 LYS 444 -5.581 -12.129 -5.914 114 HD3 LYS 444 HD1 LYS 444 -5.586 -11.637 -4.219 115 HE2 LYS 444 HE2 LYS 444 -6.828 -13.746 -4.654 116 HE3 LYS 444 HE1 LYS 444 -7.810 -12.482 -3.919 117 HZ1 LYS 444 HZ1 LYS 444 -7.752 -12.982 -6.840 118 HZ2 LYS 444 HZ2 LYS 444 -8.858 -12.038 -5.972 119 HZ3 LYS 444 HZ3 LYS 444 -8.865 -13.727 -5.800 120 H THR 445 HN THR 445 -6.195 -6.137 -4.509 121 HA THR 445 HA THR 445 -3.591 -5.121 -5.435 122 HB THR 445 HB THR 445 -5.939 -3.426 -4.557 123 HG1 THR 445 HG1 THR 445 -6.398 -4.128 -6.604 124 HG21 THR 445 HG21 THR 445 -3.769 -2.431 -4.010 125 HG22 THR 445 HG22 THR 445 -4.562 -1.543 -5.311 126 HG23 THR 445 HG23 THR 445 -3.243 -2.653 -5.679 127 H TYR 446 HN TYR 446 -2.141 -5.223 -3.847 128 HA TYR 446 HA TYR 446 -3.068 -4.525 -1.153 129 HB2 TYR 446 HB2 TYR 446 -1.413 -6.098 -0.191 130 HB3 TYR 446 HB1 TYR 446 -2.681 -6.899 -1.103 131 HD1 TYR 446 HD1 TYR 446 -2.136 -7.770 -3.418 132 HD2 TYR 446 HD2 TYR 446 0.857 -6.414 -0.714 133 HE1 TYR 446 HE1 TYR 446 -0.438 -9.027 -4.676 134 HE2 TYR 446 HE2 TYR 446 2.563 -7.660 -1.971 135 HH TYR 446 HH TYR 446 2.044 -8.931 -5.042 136 H TYR 447 HN TYR 447 -1.988 -3.014 -0.143 137 HA TYR 447 HA TYR 447 0.137 -1.673 -1.589 138 HB2 TYR 447 HB2 TYR 447 -1.617 -0.863 0.719 139 HB3 TYR 447 HB1 TYR 447 -0.251 0.112 0.179 140 HD1 TYR 447 HD1 TYR 447 -0.309 1.280 -1.929 141 HD2 TYR 447 HD2 TYR 447 -3.613 -1.094 -0.689 142 HE1 TYR 447 HE1 TYR 447 -1.689 2.298 -3.689 143 HE2 TYR 447 HE2 TYR 447 -5.005 -0.080 -2.447 144 HH TYR 447 HH TYR 447 -3.726 1.655 -5.015 145 H TYR 448 HN TYR 448 2.137 -2.093 -1.185 146 HA TYR 448 HA TYR 448 2.890 -3.446 1.278 147 HB2 TYR 448 HB2 TYR 448 3.559 -4.294 -0.984 148 HB3 TYR 448 HB1 TYR 448 4.528 -2.842 -1.192 149 HD1 TYR 448 HD1 TYR 448 4.108 -5.764 1.076 150 HD2 TYR 448 HD2 TYR 448 6.757 -2.854 -0.537 151 HE1 TYR 448 HE1 TYR 448 6.008 -6.926 2.115 152 HE2 TYR 448 HE2 TYR 448 8.663 -4.002 0.505 153 HH TYR 448 HH TYR 448 9.212 -5.553 2.147 154 H ASN 449 HN ASN 449 3.727 -2.379 2.908 155 HA ASN 449 HA ASN 449 4.687 0.356 2.584 156 HB2 ASN 449 HB2 ASN 449 3.188 -0.293 4.494 157 HB3 ASN 449 HB1 ASN 449 4.463 -1.349 5.089 158 HD21 ASN 449 HD21 ASN 449 3.205 0.911 6.402 159 HD22 ASN 449 HD22 ASN 449 4.478 2.026 6.765 160 H ASN 450 HN ASN 450 6.771 0.611 2.002 161 HA ASN 450 HA ASN 450 8.662 -1.546 2.319 162 HB2 ASN 450 HB2 ASN 450 8.934 1.229 1.151 163 HB3 ASN 450 HB1 ASN 450 10.258 0.073 1.213 164 HD21 ASN 450 HD21 ASN 450 7.240 0.901 -0.268 165 HD22 ASN 450 HD22 ASN 450 7.328 -0.250 -1.557 166 H ARG 451 HN ARG 451 7.644 0.938 4.284 167 HA ARG 451 HA ARG 451 10.209 1.421 5.570 168 HB2 ARG 451 HB2 ARG 451 8.707 3.305 5.209 169 HB3 ARG 451 HB1 ARG 451 7.433 2.497 6.102 170 HG2 ARG 451 HG2 ARG 451 8.391 4.222 7.458 171 HG3 ARG 451 HG1 ARG 451 8.803 2.651 8.143 172 HD2 ARG 451 HD2 ARG 451 10.707 3.948 6.251 173 HD3 ARG 451 HD1 ARG 451 10.606 4.550 7.905 174 HE ARG 451 HE ARG 451 10.857 1.786 8.055 175 HH11 ARG 451 HH11 ARG 451 12.729 4.479 6.841 176 HH12 ARG 451 HH12 ARG 451 14.267 3.770 7.250 177 HH21 ARG 451 HH21 ARG 451 12.863 0.835 8.582 178 HH22 ARG 451 HH22 ARG 451 14.346 1.673 8.229 179 H THR 452 HN THR 452 7.485 -0.630 5.906 180 HA THR 452 HA THR 452 8.469 -1.507 8.542 181 HB THR 452 HB THR 452 5.553 -1.599 7.774 182 HG1 THR 452 HG1 THR 452 7.012 0.461 9.108 183 HG21 THR 452 HG21 THR 452 5.203 -1.803 10.167 184 HG22 THR 452 HG22 THR 452 6.930 -1.605 10.464 185 HG23 THR 452 HG23 THR 452 6.339 -3.042 9.634 186 H LEU 453 HN LEU 453 7.836 -2.330 5.364 187 HA LEU 453 HA LEU 453 7.933 -4.254 4.168 188 HB2 LEU 453 HB2 LEU 453 8.730 -5.515 6.796 189 HB3 LEU 453 HB1 LEU 453 8.848 -6.284 5.223 190 HG LEU 453 HG LEU 453 10.381 -3.836 6.107 191 HD11 LEU 453 HD11 LEU 453 11.145 -5.871 7.199 192 HD12 LEU 453 HD12 LEU 453 12.328 -5.302 6.020 193 HD13 LEU 453 HD13 LEU 453 11.285 -6.670 5.633 194 HD21 LEU 453 HD21 LEU 453 10.530 -5.414 3.543 195 HD22 LEU 453 HD22 LEU 453 11.598 -4.089 4.005 196 HD23 LEU 453 HD23 LEU 453 9.884 -3.784 3.722 197 H GLU 454 HN GLU 454 5.498 -3.370 5.494 198 HA GLU 454 HA GLU 454 4.121 -5.913 6.053 199 HB2 GLU 454 HB2 GLU 454 3.626 -3.100 7.010 200 HB3 GLU 454 HB1 GLU 454 2.418 -4.370 7.172 201 HG2 GLU 454 HG2 GLU 454 5.208 -4.563 8.269 202 HG3 GLU 454 HG1 GLU 454 3.822 -3.986 9.196 203 H SER 455 HN SER 455 2.413 -6.517 4.868 204 HA SER 455 HA SER 455 1.641 -4.802 2.618 205 HB2 SER 455 HB2 SER 455 1.064 -7.739 3.095 206 HB3 SER 455 HB1 SER 455 0.748 -6.841 1.611 207 HG SER 455 HG SER 455 3.298 -7.337 2.779 208 H TYR 456 HN TYR 456 -0.230 -3.740 2.677 209 HA TYR 456 HA TYR 456 -2.358 -4.710 4.485 210 HB2 TYR 456 HB2 TYR 456 -1.907 -1.882 3.498 211 HB3 TYR 456 HB1 TYR 456 -3.130 -2.403 4.648 212 HD1 TYR 456 HD1 TYR 456 -2.451 -3.111 6.927 213 HD2 TYR 456 HD2 TYR 456 0.325 -1.442 4.176 214 HE1 TYR 456 HE1 TYR 456 -0.904 -2.643 8.780 215 HE2 TYR 456 HE2 TYR 456 1.883 -0.970 6.017 216 HH TYR 456 HH TYR 456 1.723 -0.587 8.504 217 H TRP 457 HN TRP 457 -4.232 -5.334 3.522 218 HA TRP 457 HA TRP 457 -4.469 -5.085 0.658 219 HB2 TRP 457 HB2 TRP 457 -6.381 -6.215 2.711 220 HB3 TRP 457 HB1 TRP 457 -6.641 -6.276 0.972 221 HD1 TRP 457 HD1 TRP 457 -4.572 -7.868 3.750 222 HE1 TRP 457 HE1 TRP 457 -3.423 -9.983 2.831 223 HE3 TRP 457 HE3 TRP 457 -5.703 -7.304 -1.202 224 HZ2 TRP 457 HZ2 TRP 457 -3.037 -11.230 0.327 225 HZ3 TRP 457 HZ3 TRP 457 -4.903 -9.000 -2.795 226 HH2 TRP 457 HH2 TRP 457 -3.598 -10.922 -2.044 227 H GLU 458 HN GLU 458 -5.071 -3.003 3.113 228 HA GLU 458 HA GLU 458 -7.138 -1.575 1.572 229 HB2 GLU 458 HB2 GLU 458 -7.465 -2.544 4.094 230 HB3 GLU 458 HB1 GLU 458 -6.816 -0.951 4.450 231 HG2 GLU 458 HG2 GLU 458 -9.238 -1.496 2.751 232 HG3 GLU 458 HG1 GLU 458 -9.266 -1.004 4.441 233 H LYS 459 HN LYS 459 -6.699 0.579 1.121 234 HA LYS 459 HA LYS 459 -3.921 1.274 1.236 235 HB2 LYS 459 HB2 LYS 459 -4.652 3.364 0.064 236 HB3 LYS 459 HB1 LYS 459 -5.067 1.868 -0.757 237 HG2 LYS 459 HG2 LYS 459 -7.344 2.058 -0.131 238 HG3 LYS 459 HG1 LYS 459 -6.998 3.388 0.975 239 HD2 LYS 459 HD2 LYS 459 -7.995 4.147 -1.151 240 HD3 LYS 459 HD1 LYS 459 -6.382 4.812 -0.882 241 HE2 LYS 459 HE2 LYS 459 -5.534 2.856 -2.291 242 HE3 LYS 459 HE1 LYS 459 -7.218 2.622 -2.762 243 HZ1 LYS 459 HZ1 LYS 459 -5.966 4.003 -4.338 244 HZ2 LYS 459 HZ2 LYS 459 -5.696 5.150 -3.114 245 HZ3 LYS 459 HZ3 LYS 459 -7.275 4.836 -3.659 246 HA PRO 460 HA PRO 460 -4.022 3.403 5.101 247 HB2 PRO 460 HB2 PRO 460 -1.607 4.620 4.879 248 HB3 PRO 460 HB1 PRO 460 -1.779 2.893 5.218 249 HG2 PRO 460 HG2 PRO 460 -1.259 4.264 2.601 250 HG3 PRO 460 HG1 PRO 460 -0.453 2.841 3.291 251 HD2 PRO 460 HD2 PRO 460 -2.373 2.604 1.433 252 HD3 PRO 460 HD1 PRO 460 -2.210 1.430 2.757 253 H GLN 461 HN GLN 461 -4.417 5.432 5.896 254 HA GLN 461 HA GLN 461 -5.367 7.431 4.120 255 HB2 GLN 461 HB2 GLN 461 -6.109 6.937 6.521 256 HB3 GLN 461 HB1 GLN 461 -4.685 7.829 7.031 257 HG2 GLN 461 HG2 GLN 461 -6.533 9.303 7.127 258 HG3 GLN 461 HG1 GLN 461 -5.542 9.783 5.752 259 HE21 GLN 461 HE21 GLN 461 -7.271 10.840 4.783 260 HE22 GLN 461 HE22 GLN 461 -8.581 9.977 4.045 261 H GLU 462 HN GLU 462 -2.277 6.607 5.058 262 HA GLU 462 HA GLU 462 -1.102 9.243 4.951 263 HB2 GLU 462 HB2 GLU 462 0.150 6.489 4.968 264 HB3 GLU 462 HB1 GLU 462 1.050 7.997 5.047 265 HG2 GLU 462 HG2 GLU 462 0.056 8.539 7.162 266 HG3 GLU 462 HG1 GLU 462 -0.992 7.124 7.074 267 H LEU 463 HN LEU 463 -2.218 7.039 2.690 268 HA LEU 463 HA LEU 463 -0.327 8.004 0.650 269 HB2 LEU 463 HB2 LEU 463 -0.007 5.655 0.974 270 HB3 LEU 463 HB1 LEU 463 -1.730 5.350 0.890 271 HG LEU 463 HG LEU 463 -1.726 5.968 -1.492 272 HD11 LEU 463 HD11 LEU 463 1.263 6.209 -1.132 273 HD12 LEU 463 HD12 LEU 463 0.148 7.532 -1.472 274 HD13 LEU 463 HD13 LEU 463 0.400 6.264 -2.670 275 HD21 LEU 463 HD21 LEU 463 0.298 3.864 -0.740 276 HD22 LEU 463 HD22 LEU 463 -0.512 4.004 -2.301 277 HD23 LEU 463 HD23 LEU 463 -1.449 3.643 -0.851 278 H LYS 464 HN LYS 464 -3.642 6.775 1.050 279 HA LYS 464 HA LYS 464 -5.597 7.240 0.007 280 HB2 LYS 464 HB2 LYS 464 -4.173 9.765 -0.857 281 HB3 LYS 464 HB1 LYS 464 -5.888 9.457 -1.081 282 HG2 LYS 464 HG2 LYS 464 -4.489 9.597 1.580 283 HG3 LYS 464 HG1 LYS 464 -5.419 10.905 0.845 284 HD2 LYS 464 HD2 LYS 464 -6.483 8.189 1.622 285 HD3 LYS 464 HD1 LYS 464 -6.739 9.692 2.507 286 HE2 LYS 464 HE2 LYS 464 -7.688 9.068 -0.286 287 HE3 LYS 464 HE1 LYS 464 -8.686 9.173 1.162 288 HZ1 LYS 464 HZ1 LYS 464 -8.893 11.197 -0.044 289 HZ2 LYS 464 HZ2 LYS 464 -7.218 11.386 -0.166 290 HZ3 LYS 464 HZ3 LYS 464 -7.979 11.536 1.340 Start of MODEL 12 1 H1 GLY 428 HT1 GLY 428 3.373 18.077 -8.179 2 H2 GLY 428 HT2 GLY 428 3.691 19.700 -7.812 3 H3 GLY 428 HT3 GLY 428 2.361 18.914 -7.110 4 HA2 GLY 428 HA1 GLY 428 5.215 18.257 -6.631 5 HA3 GLY 428 HA2 GLY 428 4.168 19.132 -5.523 6 H ALA 429 HN ALA 429 5.523 16.738 -4.878 7 HA ALA 429 HA ALA 429 3.466 14.663 -4.948 8 HB1 ALA 429 HB1 ALA 429 5.182 13.186 -4.066 9 HB2 ALA 429 HB2 ALA 429 6.285 14.550 -3.883 10 HB3 ALA 429 HB3 ALA 429 5.775 14.039 -5.491 11 H THR 430 HN THR 430 1.955 14.891 -3.437 12 HA THR 430 HA THR 430 2.714 15.764 -0.746 13 HB THR 430 HB THR 430 0.074 15.503 -0.513 14 HG1 THR 430 HG1 THR 430 -0.549 14.806 -2.480 15 HG21 THR 430 HG21 THR 430 1.352 17.584 -0.234 16 HG22 THR 430 HG22 THR 430 -0.142 17.861 -1.130 17 HG23 THR 430 HG23 THR 430 1.398 17.784 -1.985 18 H ALA 431 HN ALA 431 2.054 12.986 -2.555 19 HA ALA 431 HA ALA 431 1.441 11.350 -0.216 20 HB1 ALA 431 HB1 ALA 431 1.691 10.590 -3.130 21 HB2 ALA 431 HB2 ALA 431 0.187 10.912 -2.267 22 HB3 ALA 431 HB3 ALA 431 1.175 9.520 -1.827 23 H VAL 432 HN VAL 432 2.766 9.502 0.306 24 HA VAL 432 HA VAL 432 5.603 10.062 -0.134 25 HB VAL 432 HB VAL 432 4.367 8.110 1.820 26 HG11 VAL 432 HG11 VAL 432 6.688 7.627 1.312 27 HG12 VAL 432 HG12 VAL 432 6.546 8.265 2.951 28 HG13 VAL 432 HG13 VAL 432 7.133 9.300 1.649 29 HG21 VAL 432 HG21 VAL 432 3.590 10.365 2.308 30 HG22 VAL 432 HG22 VAL 432 5.251 10.958 2.280 31 HG23 VAL 432 HG23 VAL 432 4.740 9.825 3.532 32 H SER 433 HN SER 433 6.954 8.673 -1.192 33 HA SER 433 HA SER 433 5.675 6.653 -2.831 34 HB2 SER 433 HB2 SER 433 7.304 8.276 -3.777 35 HB3 SER 433 HB1 SER 433 8.561 7.575 -2.761 36 HG SER 433 HG SER 433 7.974 5.529 -3.863 37 H GLU 434 HN GLU 434 6.380 6.447 0.172 38 HA GLU 434 HA GLU 434 8.233 4.273 0.369 39 HB2 GLU 434 HB2 GLU 434 7.818 5.981 2.149 40 HB3 GLU 434 HB1 GLU 434 6.225 5.285 2.393 41 HG2 GLU 434 HG2 GLU 434 7.268 3.167 3.051 42 HG3 GLU 434 HG1 GLU 434 8.858 3.907 2.850 43 H TRP 435 HN TRP 435 5.106 4.491 -0.686 44 HA TRP 435 HA TRP 435 4.437 1.737 0.116 45 HB2 TRP 435 HB2 TRP 435 2.541 3.931 -0.761 46 HB3 TRP 435 HB1 TRP 435 2.095 2.338 -0.164 47 HD1 TRP 435 HD1 TRP 435 3.501 5.699 1.061 48 HE1 TRP 435 HE1 TRP 435 3.108 5.870 3.599 49 HE3 TRP 435 HE3 TRP 435 1.703 0.992 1.925 50 HZ2 TRP 435 HZ2 TRP 435 2.152 4.234 5.685 51 HZ3 TRP 435 HZ3 TRP 435 1.066 0.379 4.222 52 HH2 TRP 435 HH2 TRP 435 1.288 1.969 6.060 53 H THR 436 HN THR 436 4.538 0.285 -1.497 54 HA THR 436 HA THR 436 4.158 1.261 -4.258 55 HB THR 436 HB THR 436 5.745 -1.159 -3.366 56 HG1 THR 436 HG1 THR 436 6.470 1.289 -3.165 57 HG21 THR 436 HG21 THR 436 5.453 0.124 -6.088 58 HG22 THR 436 HG22 THR 436 4.760 -1.421 -5.595 59 HG23 THR 436 HG23 THR 436 6.511 -1.233 -5.694 60 H GLU 437 HN GLU 437 2.354 0.574 -5.229 61 HA GLU 437 HA GLU 437 0.922 -1.675 -4.044 62 HB2 GLU 437 HB2 GLU 437 -0.984 -0.896 -5.447 63 HB3 GLU 437 HB1 GLU 437 -0.438 0.264 -4.252 64 HG2 GLU 437 HG2 GLU 437 0.536 1.637 -5.881 65 HG3 GLU 437 HG1 GLU 437 0.466 0.373 -7.109 66 H TYR 438 HN TYR 438 0.645 -3.549 -4.993 67 HA TYR 438 HA TYR 438 1.407 -3.816 -7.826 68 HB2 TYR 438 HB2 TYR 438 1.443 -5.888 -5.621 69 HB3 TYR 438 HB1 TYR 438 1.792 -6.220 -7.315 70 HD1 TYR 438 HD1 TYR 438 3.849 -5.342 -8.353 71 HD2 TYR 438 HD2 TYR 438 3.065 -4.822 -4.203 72 HE1 TYR 438 HE1 TYR 438 6.215 -4.770 -7.983 73 HE2 TYR 438 HE2 TYR 438 5.426 -4.253 -3.822 74 HH TYR 438 HH TYR 438 7.611 -4.631 -4.888 75 H LYS 439 HN LYS 439 -0.033 -4.705 -9.231 76 HA LYS 439 HA LYS 439 -2.771 -5.006 -8.183 77 HB2 LYS 439 HB2 LYS 439 -2.213 -3.151 -9.837 78 HB3 LYS 439 HB1 LYS 439 -1.951 -4.414 -11.029 79 HG2 LYS 439 HG2 LYS 439 -4.128 -3.666 -11.414 80 HG3 LYS 439 HG1 LYS 439 -4.329 -5.169 -10.511 81 HD2 LYS 439 HD2 LYS 439 -5.837 -3.483 -9.644 82 HD3 LYS 439 HD1 LYS 439 -4.602 -3.851 -8.438 83 HE2 LYS 439 HE2 LYS 439 -3.347 -1.858 -9.138 84 HE3 LYS 439 HE1 LYS 439 -4.604 -1.485 -10.314 85 HZ1 LYS 439 HZ1 LYS 439 -6.164 -1.120 -8.560 86 HZ2 LYS 439 HZ2 LYS 439 -4.769 -0.223 -8.199 87 HZ3 LYS 439 HZ3 LYS 439 -5.078 -1.680 -7.390 88 H THR 440 HN THR 440 -3.580 -7.000 -8.186 89 HA THR 440 HA THR 440 -2.339 -9.084 -9.786 90 HB THR 440 HB THR 440 -3.821 -10.627 -8.574 91 HG1 THR 440 HG1 THR 440 -5.426 -9.923 -7.323 92 HG21 THR 440 HG21 THR 440 -2.907 -10.302 -6.322 93 HG22 THR 440 HG22 THR 440 -2.435 -8.657 -6.749 94 HG23 THR 440 HG23 THR 440 -1.677 -10.030 -7.557 95 H ALA 441 HN ALA 441 -3.482 -10.382 -11.281 96 HA ALA 441 HA ALA 441 -5.190 -9.062 -13.049 97 HB1 ALA 441 HB1 ALA 441 -4.876 -12.038 -12.665 98 HB2 ALA 441 HB2 ALA 441 -3.850 -11.010 -13.667 99 HB3 ALA 441 HB3 ALA 441 -5.548 -11.242 -14.087 100 H ASP 442 HN ASP 442 -5.933 -10.961 -10.209 101 HA ASP 442 HA ASP 442 -8.733 -11.175 -10.750 102 HB2 ASP 442 HB2 ASP 442 -8.720 -11.661 -8.147 103 HB3 ASP 442 HB1 ASP 442 -8.134 -12.847 -9.308 104 H GLY 443 HN GLY 443 -6.830 -8.585 -9.835 105 HA2 GLY 443 HA2 GLY 443 -7.638 -6.397 -9.731 106 HA3 GLY 443 HA1 GLY 443 -9.248 -7.024 -9.430 107 H LYS 444 HN LYS 444 -6.441 -7.994 -7.559 108 HA LYS 444 HA LYS 444 -7.555 -6.480 -5.290 109 HB2 LYS 444 HB2 LYS 444 -5.900 -9.014 -5.244 110 HB3 LYS 444 HB1 LYS 444 -6.494 -8.158 -3.826 111 HG2 LYS 444 HG2 LYS 444 -8.821 -8.538 -4.718 112 HG3 LYS 444 HG1 LYS 444 -8.095 -9.620 -5.908 113 HD2 LYS 444 HD2 LYS 444 -8.005 -9.903 -2.905 114 HD3 LYS 444 HD1 LYS 444 -8.902 -10.914 -4.038 115 HE2 LYS 444 HE2 LYS 444 -6.760 -11.614 -5.053 116 HE3 LYS 444 HE1 LYS 444 -5.903 -10.666 -3.838 117 HZ1 LYS 444 HZ1 LYS 444 -5.937 -12.871 -3.063 118 HZ2 LYS 444 HZ2 LYS 444 -7.577 -13.072 -3.422 119 HZ3 LYS 444 HZ3 LYS 444 -7.107 -12.057 -2.144 120 H THR 445 HN THR 445 -6.307 -4.979 -4.369 121 HA THR 445 HA THR 445 -3.608 -4.644 -5.489 122 HB THR 445 HB THR 445 -5.303 -2.524 -4.163 123 HG1 THR 445 HG1 THR 445 -6.364 -3.342 -6.044 124 HG21 THR 445 HG21 THR 445 -2.934 -2.376 -6.022 125 HG22 THR 445 HG22 THR 445 -2.922 -2.031 -4.291 126 HG23 THR 445 HG23 THR 445 -3.832 -0.995 -5.392 127 H TYR 446 HN TYR 446 -1.966 -5.095 -4.122 128 HA TYR 446 HA TYR 446 -2.440 -4.562 -1.272 129 HB2 TYR 446 HB2 TYR 446 -0.746 -6.261 -0.734 130 HB3 TYR 446 HB1 TYR 446 -2.109 -6.932 -1.611 131 HD1 TYR 446 HD1 TYR 446 -1.818 -7.607 -4.000 132 HD2 TYR 446 HD2 TYR 446 1.465 -6.379 -1.586 133 HE1 TYR 446 HE1 TYR 446 -0.264 -8.691 -5.570 134 HE2 TYR 446 HE2 TYR 446 3.026 -7.452 -3.151 135 HH TYR 446 HH TYR 446 2.065 -8.596 -6.243 136 H TYR 447 HN TYR 447 -1.288 -3.108 -0.314 137 HA TYR 447 HA TYR 447 0.825 -1.730 -1.785 138 HB2 TYR 447 HB2 TYR 447 -0.800 -1.032 0.665 139 HB3 TYR 447 HB1 TYR 447 0.550 -0.052 0.108 140 HD1 TYR 447 HD2 TYR 447 -2.882 -1.129 -0.603 141 HD2 TYR 447 HD1 TYR 447 0.378 1.274 -1.899 142 HE1 TYR 447 HE2 TYR 447 -4.373 0.043 -2.166 143 HE2 TYR 447 HE1 TYR 447 -1.103 2.448 -3.465 144 HH TYR 447 HH TYR 447 -3.183 2.070 -4.640 145 H TYR 448 HN TYR 448 2.834 -2.376 -1.445 146 HA TYR 448 HA TYR 448 3.574 -3.536 1.121 147 HB2 TYR 448 HB2 TYR 448 4.332 -4.634 -0.977 148 HB3 TYR 448 HB1 TYR 448 5.246 -3.184 -1.380 149 HD1 TYR 448 HD1 TYR 448 4.920 -5.823 1.220 150 HD2 TYR 448 HD2 TYR 448 7.450 -2.941 -0.622 151 HE1 TYR 448 HE1 TYR 448 6.832 -6.696 2.496 152 HE2 TYR 448 HE2 TYR 448 9.368 -3.807 0.648 153 HH TYR 448 HH TYR 448 9.297 -6.753 2.309 154 H ASN 449 HN ASN 449 4.312 -2.306 2.674 155 HA ASN 449 HA ASN 449 5.494 0.297 2.006 156 HB2 ASN 449 HB2 ASN 449 3.668 0.509 3.532 157 HB3 ASN 449 HB1 ASN 449 4.281 -0.791 4.548 158 HD21 ASN 449 HD21 ASN 449 4.671 2.530 3.604 159 HD22 ASN 449 HD22 ASN 449 5.709 3.000 4.916 160 H ASN 450 HN ASN 450 7.587 0.595 2.186 161 HA ASN 450 HA ASN 450 9.289 -1.620 2.833 162 HB2 ASN 450 HB2 ASN 450 9.958 1.233 2.084 163 HB3 ASN 450 HB1 ASN 450 11.127 -0.076 2.204 164 HD21 ASN 450 HD21 ASN 450 10.370 1.611 -0.075 165 HD22 ASN 450 HD22 ASN 450 9.880 0.507 -1.319 166 H ARG 451 HN ARG 451 7.894 0.685 4.784 167 HA ARG 451 HA ARG 451 10.194 1.116 6.508 168 HB2 ARG 451 HB2 ARG 451 8.737 2.996 6.109 169 HB3 ARG 451 HB1 ARG 451 7.335 2.074 6.631 170 HG2 ARG 451 HG2 ARG 451 8.282 1.970 8.896 171 HG3 ARG 451 HG1 ARG 451 9.630 2.972 8.350 172 HD2 ARG 451 HD2 ARG 451 8.100 4.769 7.789 173 HD3 ARG 451 HD1 ARG 451 6.722 3.767 8.243 174 HE ARG 451 HE ARG 451 8.513 3.965 10.410 175 HH11 ARG 451 HH11 ARG 451 6.203 5.885 8.608 176 HH12 ARG 451 HH12 ARG 451 5.816 6.920 9.950 177 HH21 ARG 451 HH21 ARG 451 8.001 5.320 12.183 178 HH22 ARG 451 HH22 ARG 451 6.844 6.600 11.979 179 H THR 452 HN THR 452 7.021 -0.451 6.657 180 HA THR 452 HA THR 452 7.868 -1.756 9.150 181 HB THR 452 HB THR 452 5.778 -0.486 9.318 182 HG1 THR 452 HG1 THR 452 4.454 -2.724 9.651 183 HG21 THR 452 HG21 THR 452 3.784 -1.099 8.118 184 HG22 THR 452 HG22 THR 452 4.633 -2.413 7.310 185 HG23 THR 452 HG23 THR 452 5.067 -0.740 6.960 186 H LEU 453 HN LEU 453 7.703 -2.268 5.894 187 HA LEU 453 HA LEU 453 8.095 -4.066 4.573 188 HB2 LEU 453 HB2 LEU 453 8.457 -5.624 7.132 189 HB3 LEU 453 HB1 LEU 453 9.011 -6.089 5.536 190 HG LEU 453 HG LEU 453 10.066 -3.860 7.270 191 HD11 LEU 453 HD11 LEU 453 11.351 -6.326 6.111 192 HD12 LEU 453 HD12 LEU 453 10.894 -6.078 7.797 193 HD13 LEU 453 HD13 LEU 453 12.167 -5.094 7.073 194 HD21 LEU 453 HD21 LEU 453 9.945 -3.020 5.002 195 HD22 LEU 453 HD22 LEU 453 10.740 -4.472 4.395 196 HD23 LEU 453 HD23 LEU 453 11.624 -3.354 5.433 197 H GLU 454 HN GLU 454 5.437 -3.403 5.347 198 HA GLU 454 HA GLU 454 4.145 -6.055 5.523 199 HB2 GLU 454 HB2 GLU 454 3.186 -3.419 6.636 200 HB3 GLU 454 HB1 GLU 454 2.217 -4.886 6.592 201 HG2 GLU 454 HG2 GLU 454 3.984 -5.992 7.965 202 HG3 GLU 454 HG1 GLU 454 4.749 -4.411 8.134 203 H SER 455 HN SER 455 2.298 -6.429 4.323 204 HA SER 455 HA SER 455 1.783 -4.487 2.163 205 HB2 SER 455 HB2 SER 455 1.387 -7.488 2.089 206 HB3 SER 455 HB1 SER 455 1.159 -6.367 0.746 207 HG SER 455 HG SER 455 3.635 -6.314 1.995 208 H TYR 456 HN TYR 456 -0.117 -3.485 2.405 209 HA TYR 456 HA TYR 456 -2.300 -4.891 3.807 210 HB2 TYR 456 HB2 TYR 456 -2.126 -1.938 3.169 211 HB3 TYR 456 HB1 TYR 456 -3.274 -2.726 4.241 212 HD1 TYR 456 HD1 TYR 456 -1.663 -4.364 5.988 213 HD2 TYR 456 HD2 TYR 456 -0.818 -0.514 4.381 214 HE1 TYR 456 HE1 TYR 456 -0.175 -3.903 7.894 215 HE2 TYR 456 HE2 TYR 456 0.675 -0.049 6.282 216 HH TYR 456 HH TYR 456 1.720 -2.458 8.461 217 H TRP 457 HN TRP 457 -4.106 -5.454 2.687 218 HA TRP 457 HA TRP 457 -4.175 -5.028 -0.152 219 HB2 TRP 457 HB2 TRP 457 -6.190 -6.299 1.711 220 HB3 TRP 457 HB1 TRP 457 -6.322 -6.288 -0.045 221 HD1 TRP 457 HD1 TRP 457 -4.407 -7.944 2.805 222 HE1 TRP 457 HE1 TRP 457 -3.116 -9.974 1.877 223 HE3 TRP 457 HE3 TRP 457 -5.191 -7.184 -2.189 224 HZ2 TRP 457 HZ2 TRP 457 -2.510 -11.092 -0.645 225 HZ3 TRP 457 HZ3 TRP 457 -4.220 -8.775 -3.793 226 HH2 TRP 457 HH2 TRP 457 -2.906 -10.689 -3.036 227 H GLU 458 HN GLU 458 -4.777 -2.984 2.220 228 HA GLU 458 HA GLU 458 -6.956 -1.613 0.800 229 HB2 GLU 458 HB2 GLU 458 -7.557 -0.624 3.008 230 HB3 GLU 458 HB1 GLU 458 -7.767 -2.369 2.952 231 HG2 GLU 458 HG2 GLU 458 -5.578 -2.621 4.083 232 HG3 GLU 458 HG1 GLU 458 -5.495 -0.866 4.232 233 H LYS 459 HN LYS 459 -6.658 0.565 0.390 234 HA LYS 459 HA LYS 459 -4.056 1.613 0.260 235 HB2 LYS 459 HB2 LYS 459 -6.620 3.200 0.359 236 HB3 LYS 459 HB1 LYS 459 -5.082 3.742 -0.289 237 HG2 LYS 459 HG2 LYS 459 -5.255 2.060 -2.065 238 HG3 LYS 459 HG1 LYS 459 -6.816 1.558 -1.419 239 HD2 LYS 459 HD2 LYS 459 -7.623 3.036 -2.924 240 HD3 LYS 459 HD1 LYS 459 -7.236 4.211 -1.671 241 HE2 LYS 459 HE2 LYS 459 -5.446 3.446 -3.975 242 HE3 LYS 459 HE1 LYS 459 -6.430 4.903 -3.888 243 HZ1 LYS 459 HZ1 LYS 459 -4.240 4.226 -2.010 244 HZ2 LYS 459 HZ2 LYS 459 -5.135 5.667 -2.021 245 HZ3 LYS 459 HZ3 LYS 459 -4.100 5.289 -3.315 246 HA PRO 460 HA PRO 460 -3.431 2.701 4.584 247 HB2 PRO 460 HB2 PRO 460 -1.318 4.412 3.928 248 HB3 PRO 460 HB1 PRO 460 -1.170 2.705 4.347 249 HG2 PRO 460 HG2 PRO 460 -1.215 4.005 1.668 250 HG3 PRO 460 HG1 PRO 460 -0.291 2.596 2.220 251 HD2 PRO 460 HD2 PRO 460 -2.456 2.325 0.665 252 HD3 PRO 460 HD1 PRO 460 -2.089 1.158 1.954 253 H GLN 461 HN GLN 461 -4.275 4.338 5.734 254 HA GLN 461 HA GLN 461 -5.801 6.312 4.399 255 HB2 GLN 461 HB2 GLN 461 -6.357 5.313 6.618 256 HB3 GLN 461 HB1 GLN 461 -5.047 6.245 7.323 257 HG2 GLN 461 HG2 GLN 461 -6.179 8.314 6.577 258 HG3 GLN 461 HG1 GLN 461 -7.523 7.328 6.008 259 HE21 GLN 461 HE21 GLN 461 -7.465 9.420 8.024 260 HE22 GLN 461 HE22 GLN 461 -8.061 8.693 9.483 261 H GLU 462 HN GLU 462 -2.529 6.272 5.360 262 HA GLU 462 HA GLU 462 -2.325 9.159 5.492 263 HB2 GLU 462 HB2 GLU 462 -0.939 7.546 6.902 264 HB3 GLU 462 HB1 GLU 462 -0.029 7.209 5.435 265 HG2 GLU 462 HG2 GLU 462 1.091 8.861 6.814 266 HG3 GLU 462 HG1 GLU 462 0.599 9.550 5.265 267 H LEU 463 HN LEU 463 -1.980 6.612 3.192 268 HA LEU 463 HA LEU 463 -0.502 8.241 1.301 269 HB2 LEU 463 HB2 LEU 463 -0.078 5.839 1.378 270 HB3 LEU 463 HB1 LEU 463 -1.763 5.515 1.022 271 HG LEU 463 HG LEU 463 -1.464 6.593 -1.200 272 HD11 LEU 463 HD11 LEU 463 0.807 6.986 -2.018 273 HD12 LEU 463 HD12 LEU 463 1.447 6.628 -0.414 274 HD13 LEU 463 HD13 LEU 463 0.418 8.039 -0.657 275 HD21 LEU 463 HD21 LEU 463 0.409 4.307 -0.605 276 HD22 LEU 463 HD22 LEU 463 -0.218 4.749 -2.193 277 HD23 LEU 463 HD23 LEU 463 -1.317 4.172 -0.941 278 H LYS 464 HN LYS 464 -3.748 7.195 1.964 279 HA LYS 464 HA LYS 464 -5.776 7.960 1.322 280 HB2 LYS 464 HB2 LYS 464 -4.276 10.359 0.253 281 HB3 LYS 464 HB1 LYS 464 -5.967 10.298 0.741 282 HG2 LYS 464 HG2 LYS 464 -5.299 9.894 3.051 283 HG3 LYS 464 HG1 LYS 464 -3.604 9.914 2.574 284 HD2 LYS 464 HD2 LYS 464 -3.901 12.254 1.806 285 HD3 LYS 464 HD1 LYS 464 -5.552 12.213 2.435 286 HE2 LYS 464 HE2 LYS 464 -4.206 13.241 4.103 287 HE3 LYS 464 HE1 LYS 464 -4.574 11.615 4.674 288 HZ1 LYS 464 HZ1 LYS 464 -2.019 12.614 3.541 289 HZ2 LYS 464 HZ2 LYS 464 -2.345 10.965 3.727 290 HZ3 LYS 464 HZ3 LYS 464 -2.290 11.968 5.088 Start of MODEL 13 1 H1 GLY 428 HT1 GLY 428 -2.880 13.046 -2.096 2 H2 GLY 428 HT2 GLY 428 -3.544 11.655 -1.386 3 H3 GLY 428 HT3 GLY 428 -3.884 12.030 -3.009 4 HA2 GLY 428 HA1 GLY 428 -1.210 11.325 -1.935 5 HA3 GLY 428 HA2 GLY 428 -2.257 10.243 -2.844 6 H ALA 429 HN ALA 429 -0.361 13.199 -2.997 7 HA ALA 429 HA ALA 429 -0.343 12.958 -5.940 8 HB1 ALA 429 HB1 ALA 429 -1.369 15.041 -5.149 9 HB2 ALA 429 HB2 ALA 429 0.124 15.348 -6.037 10 HB3 ALA 429 HB3 ALA 429 0.113 15.435 -4.277 11 H THR 430 HN THR 430 1.597 13.681 -3.077 12 HA THR 430 HA THR 430 3.949 12.582 -4.357 13 HB THR 430 HB THR 430 3.979 14.959 -5.059 14 HG1 THR 430 HG1 THR 430 6.090 15.021 -4.799 15 HG21 THR 430 HG21 THR 430 4.374 16.719 -3.392 16 HG22 THR 430 HG22 THR 430 4.127 15.542 -2.102 17 HG23 THR 430 HG23 THR 430 2.797 15.956 -3.183 18 H ALA 431 HN ALA 431 5.855 13.307 -2.548 19 HA ALA 431 HA ALA 431 6.698 13.050 -0.456 20 HB1 ALA 431 HB1 ALA 431 3.854 12.976 0.540 21 HB2 ALA 431 HB2 ALA 431 4.848 14.424 0.379 22 HB3 ALA 431 HB3 ALA 431 5.307 13.162 1.523 23 H VAL 432 HN VAL 432 4.027 10.926 -1.315 24 HA VAL 432 HA VAL 432 4.595 8.721 0.276 25 HB VAL 432 HB VAL 432 3.593 8.709 -2.581 26 HG11 VAL 432 HG11 VAL 432 4.329 6.502 -1.913 27 HG12 VAL 432 HG12 VAL 432 2.567 6.552 -1.980 28 HG13 VAL 432 HG13 VAL 432 3.393 6.612 -0.423 29 HG21 VAL 432 HG21 VAL 432 2.213 10.109 -1.155 30 HG22 VAL 432 HG22 VAL 432 2.078 8.804 0.026 31 HG23 VAL 432 HG23 VAL 432 1.356 8.626 -1.574 32 H SER 433 HN SER 433 6.339 7.475 0.426 33 HA SER 433 HA SER 433 7.958 6.963 -1.964 34 HB2 SER 433 HB2 SER 433 10.017 7.388 -0.430 35 HB3 SER 433 HB1 SER 433 9.187 8.772 -1.146 36 HG SER 433 HG SER 433 8.067 9.044 0.818 37 H GLU 434 HN GLU 434 6.509 5.904 0.854 38 HA GLU 434 HA GLU 434 8.260 3.560 1.058 39 HB2 GLU 434 HB2 GLU 434 7.101 3.158 3.229 40 HB3 GLU 434 HB1 GLU 434 8.002 4.662 3.156 41 HG2 GLU 434 HG2 GLU 434 5.038 4.520 2.681 42 HG3 GLU 434 HG1 GLU 434 5.743 4.744 4.280 43 H TRP 435 HN TRP 435 5.303 4.435 -0.297 44 HA TRP 435 HA TRP 435 4.116 1.793 0.157 45 HB2 TRP 435 HB2 TRP 435 2.851 4.305 -0.959 46 HB3 TRP 435 HB1 TRP 435 2.015 2.792 -0.627 47 HD1 TRP 435 HD1 TRP 435 3.107 5.988 1.003 48 HE1 TRP 435 HE1 TRP 435 2.428 5.982 3.483 49 HE3 TRP 435 HE3 TRP 435 1.735 1.089 1.449 50 HZ2 TRP 435 HZ2 TRP 435 1.432 4.139 5.380 51 HZ3 TRP 435 HZ3 TRP 435 0.929 0.284 3.626 52 HH2 TRP 435 HH2 TRP 435 0.781 1.778 5.551 53 H THR 436 HN THR 436 4.459 0.327 -1.359 54 HA THR 436 HA THR 436 4.636 1.195 -4.168 55 HB THR 436 HB THR 436 5.453 -1.484 -3.019 56 HG1 THR 436 HG1 THR 436 7.044 0.827 -3.599 57 HG21 THR 436 HG21 THR 436 6.692 -1.712 -5.122 58 HG22 THR 436 HG22 THR 436 6.080 -0.148 -5.657 59 HG23 THR 436 HG23 THR 436 4.968 -1.496 -5.419 60 H GLU 437 HN GLU 437 3.053 0.589 -5.566 61 HA GLU 437 HA GLU 437 0.794 -0.865 -4.453 62 HB2 GLU 437 HB2 GLU 437 -0.433 -0.118 -6.414 63 HB3 GLU 437 HB1 GLU 437 0.397 1.243 -5.675 64 HG2 GLU 437 HG2 GLU 437 2.025 1.302 -7.383 65 HG3 GLU 437 HG1 GLU 437 1.527 -0.269 -8.011 66 H TYR 438 HN TYR 438 0.253 -2.902 -4.973 67 HA TYR 438 HA TYR 438 1.480 -4.057 -7.380 68 HB2 TYR 438 HB2 TYR 438 1.141 -5.284 -4.660 69 HB3 TYR 438 HB1 TYR 438 1.229 -6.297 -6.099 70 HD1 TYR 438 HD1 TYR 438 3.272 -6.301 -7.482 71 HD2 TYR 438 HD2 TYR 438 3.102 -4.224 -3.773 72 HE1 TYR 438 HE1 TYR 438 5.727 -6.182 -7.445 73 HE2 TYR 438 HE2 TYR 438 5.559 -4.100 -3.726 74 HH TYR 438 HH TYR 438 7.481 -4.803 -6.449 75 H LYS 439 HN LYS 439 -0.007 -4.230 -8.844 76 HA LYS 439 HA LYS 439 -2.782 -4.789 -8.127 77 HB2 LYS 439 HB2 LYS 439 -2.279 -2.946 -9.703 78 HB3 LYS 439 HB1 LYS 439 -1.515 -4.093 -10.789 79 HG2 LYS 439 HG2 LYS 439 -3.609 -3.776 -11.723 80 HG3 LYS 439 HG1 LYS 439 -3.796 -5.277 -10.816 81 HD2 LYS 439 HD2 LYS 439 -5.715 -3.818 -10.474 82 HD3 LYS 439 HD1 LYS 439 -4.816 -4.024 -8.968 83 HE2 LYS 439 HE2 LYS 439 -3.763 -1.870 -9.254 84 HE3 LYS 439 HE1 LYS 439 -4.511 -1.676 -10.838 85 HZ1 LYS 439 HZ1 LYS 439 -5.615 -0.449 -8.994 86 HZ2 LYS 439 HZ2 LYS 439 -6.060 -1.937 -8.317 87 HZ3 LYS 439 HZ3 LYS 439 -6.641 -1.490 -9.845 88 H THR 440 HN THR 440 -3.436 -6.852 -8.110 89 HA THR 440 HA THR 440 -1.883 -8.853 -9.540 90 HB THR 440 HB THR 440 -3.270 -10.505 -8.393 91 HG1 THR 440 HG1 THR 440 -5.140 -9.971 -7.588 92 HG21 THR 440 HG21 THR 440 -1.320 -9.628 -7.207 93 HG22 THR 440 HG22 THR 440 -2.622 -10.007 -6.079 94 HG23 THR 440 HG23 THR 440 -2.305 -8.331 -6.531 95 H ALA 441 HN ALA 441 -2.781 -10.280 -11.059 96 HA ALA 441 HA ALA 441 -4.305 -9.161 -13.069 97 HB1 ALA 441 HB1 ALA 441 -2.841 -11.103 -13.358 98 HB2 ALA 441 HB2 ALA 441 -4.449 -11.385 -14.026 99 HB3 ALA 441 HB3 ALA 441 -4.000 -12.099 -12.477 100 H ASP 442 HN ASP 442 -5.434 -10.869 -10.217 101 HA ASP 442 HA ASP 442 -8.101 -11.220 -11.289 102 HB2 ASP 442 HB2 ASP 442 -8.648 -12.251 -9.164 103 HB3 ASP 442 HB1 ASP 442 -7.124 -12.901 -9.757 104 H GLY 443 HN GLY 443 -6.494 -8.608 -10.161 105 HA2 GLY 443 HA2 GLY 443 -7.473 -6.484 -10.113 106 HA3 GLY 443 HA1 GLY 443 -9.035 -7.226 -9.823 107 H LYS 444 HN LYS 444 -6.243 -8.045 -7.862 108 HA LYS 444 HA LYS 444 -7.431 -6.515 -5.650 109 HB2 LYS 444 HB2 LYS 444 -5.539 -8.872 -5.637 110 HB3 LYS 444 HB1 LYS 444 -5.922 -7.935 -4.200 111 HG2 LYS 444 HG2 LYS 444 -8.332 -8.506 -4.587 112 HG3 LYS 444 HG1 LYS 444 -7.790 -9.615 -5.847 113 HD2 LYS 444 HD2 LYS 444 -6.461 -10.845 -4.219 114 HD3 LYS 444 HD1 LYS 444 -6.940 -9.711 -2.953 115 HE2 LYS 444 HE2 LYS 444 -8.306 -11.645 -2.724 116 HE3 LYS 444 HE1 LYS 444 -9.316 -10.363 -3.390 117 HZ1 LYS 444 HZ1 LYS 444 -8.539 -11.469 -5.640 118 HZ2 LYS 444 HZ2 LYS 444 -9.877 -12.051 -4.772 119 HZ3 LYS 444 HZ3 LYS 444 -8.378 -12.834 -4.642 120 H THR 445 HN THR 445 -6.324 -4.884 -4.719 121 HA THR 445 HA THR 445 -3.594 -4.396 -5.740 122 HB THR 445 HB THR 445 -5.490 -2.189 -4.958 123 HG1 THR 445 HG1 THR 445 -6.510 -3.222 -6.658 124 HG21 THR 445 HG21 THR 445 -3.107 -1.638 -5.096 125 HG22 THR 445 HG22 THR 445 -4.010 -0.845 -6.387 126 HG23 THR 445 HG23 THR 445 -3.046 -2.280 -6.736 127 H TYR 446 HN TYR 446 -2.496 -5.196 -3.978 128 HA TYR 446 HA TYR 446 -3.112 -3.997 -1.381 129 HB2 TYR 446 HB2 TYR 446 -1.751 -5.700 -0.364 130 HB3 TYR 446 HB1 TYR 446 -2.853 -6.478 -1.487 131 HD1 TYR 446 HD1 TYR 446 -1.969 -7.361 -3.661 132 HD2 TYR 446 HD2 TYR 446 0.596 -5.875 -0.606 133 HE1 TYR 446 HE1 TYR 446 -0.068 -8.536 -4.691 134 HE2 TYR 446 HE2 TYR 446 2.504 -7.035 -1.633 135 HH TYR 446 HH TYR 446 2.900 -8.974 -3.106 136 H TYR 447 HN TYR 447 -1.695 -2.716 -0.313 137 HA TYR 447 HA TYR 447 0.457 -1.631 -1.988 138 HB2 TYR 447 HB2 TYR 447 -0.941 -0.355 0.375 139 HB3 TYR 447 HB1 TYR 447 0.224 0.422 -0.697 140 HD1 TYR 447 HD1 TYR 447 -0.400 0.985 -3.013 141 HD2 TYR 447 HD2 TYR 447 -3.220 -0.689 -0.302 142 HE1 TYR 447 HE1 TYR 447 -2.230 1.634 -4.524 143 HE2 TYR 447 HE2 TYR 447 -5.054 -0.040 -1.801 144 HH TYR 447 HH TYR 447 -4.512 1.044 -5.012 145 H TYR 448 HN TYR 448 2.422 -2.195 -1.485 146 HA TYR 448 HA TYR 448 2.944 -3.369 1.133 147 HB2 TYR 448 HB2 TYR 448 3.598 -4.615 -0.900 148 HB3 TYR 448 HB1 TYR 448 4.665 -3.292 -1.354 149 HD1 TYR 448 HD1 TYR 448 4.055 -5.719 1.412 150 HD2 TYR 448 HD2 TYR 448 6.894 -3.341 -0.685 151 HE1 TYR 448 HE1 TYR 448 5.870 -6.757 2.704 152 HE2 TYR 448 HE2 TYR 448 8.717 -4.372 0.605 153 HH TYR 448 HH TYR 448 8.184 -7.124 2.667 154 H ASN 449 HN ASN 449 3.749 -2.148 2.685 155 HA ASN 449 HA ASN 449 5.191 0.297 2.015 156 HB2 ASN 449 HB2 ASN 449 3.459 0.300 3.821 157 HB3 ASN 449 HB1 ASN 449 4.469 -0.806 4.745 158 HD21 ASN 449 HD21 ASN 449 3.545 1.875 5.406 159 HD22 ASN 449 HD22 ASN 449 4.963 2.811 5.710 160 H ASN 450 HN ASN 450 7.281 0.234 1.727 161 HA ASN 450 HA ASN 450 8.776 -2.147 2.253 162 HB2 ASN 450 HB2 ASN 450 9.650 0.546 1.197 163 HB3 ASN 450 HB1 ASN 450 10.685 -0.873 1.281 164 HD21 ASN 450 HD21 ASN 450 7.980 0.612 -0.298 165 HD22 ASN 450 HD22 ASN 450 7.908 -0.469 -1.646 166 H ARG 451 HN ARG 451 8.138 0.650 4.066 167 HA ARG 451 HA ARG 451 10.668 0.547 5.505 168 HB2 ARG 451 HB2 ARG 451 9.454 2.700 4.827 169 HB3 ARG 451 HB1 ARG 451 8.321 2.336 6.119 170 HG2 ARG 451 HG2 ARG 451 10.086 2.461 7.761 171 HG3 ARG 451 HG1 ARG 451 11.287 2.697 6.489 172 HD2 ARG 451 HD2 ARG 451 9.019 4.560 7.184 173 HD3 ARG 451 HD1 ARG 451 10.731 4.821 7.522 174 HE ARG 451 HE ARG 451 10.994 4.764 5.002 175 HH11 ARG 451 HH11 ARG 451 8.073 5.856 6.581 176 HH12 ARG 451 HH12 ARG 451 7.549 6.828 5.238 177 HH21 ARG 451 HH21 ARG 451 10.342 6.090 3.248 178 HH22 ARG 451 HH22 ARG 451 8.862 6.999 3.372 179 H THR 452 HN THR 452 7.509 -0.709 5.721 180 HA THR 452 HA THR 452 7.937 -1.451 8.540 181 HB THR 452 HB THR 452 5.515 -1.949 8.614 182 HG1 THR 452 HG1 THR 452 4.229 -1.447 6.845 183 HG21 THR 452 HG21 THR 452 4.700 0.359 8.504 184 HG22 THR 452 HG22 THR 452 6.141 0.827 7.601 185 HG23 THR 452 HG23 THR 452 6.288 0.279 9.271 186 H LEU 453 HN LEU 453 7.895 -2.582 5.352 187 HA LEU 453 HA LEU 453 8.093 -4.605 4.352 188 HB2 LEU 453 HB2 LEU 453 8.487 -5.658 7.161 189 HB3 LEU 453 HB1 LEU 453 8.774 -6.564 5.688 190 HG LEU 453 HG LEU 453 10.310 -4.148 6.642 191 HD11 LEU 453 HD11 LEU 453 12.176 -5.719 6.771 192 HD12 LEU 453 HD12 LEU 453 11.106 -7.032 6.281 193 HD13 LEU 453 HD13 LEU 453 10.845 -6.209 7.820 194 HD21 LEU 453 HD21 LEU 453 10.078 -4.086 4.219 195 HD22 LEU 453 HD22 LEU 453 10.640 -5.754 4.110 196 HD23 LEU 453 HD23 LEU 453 11.731 -4.490 4.680 197 H GLU 454 HN GLU 454 5.567 -3.506 5.485 198 HA GLU 454 HA GLU 454 4.039 -5.974 5.954 199 HB2 GLU 454 HB2 GLU 454 3.608 -3.112 6.741 200 HB3 GLU 454 HB1 GLU 454 2.266 -4.249 6.718 201 HG2 GLU 454 HG2 GLU 454 4.803 -4.647 8.284 202 HG3 GLU 454 HG1 GLU 454 3.312 -3.968 8.942 203 H SER 455 HN SER 455 2.499 -6.619 4.616 204 HA SER 455 HA SER 455 1.954 -5.046 2.218 205 HB2 SER 455 HB2 SER 455 0.754 -7.160 1.506 206 HB3 SER 455 HB1 SER 455 2.485 -7.344 1.789 207 HG SER 455 HG SER 455 0.927 -7.770 4.022 208 H TYR 456 HN TYR 456 0.282 -3.678 2.259 209 HA TYR 456 HA TYR 456 -1.843 -4.143 4.211 210 HB2 TYR 456 HB2 TYR 456 -0.956 -1.707 2.679 211 HB3 TYR 456 HB1 TYR 456 -2.485 -1.751 3.557 212 HD1 TYR 456 HD2 TYR 456 1.166 -1.743 3.873 213 HD2 TYR 456 HD1 TYR 456 -2.531 -1.783 5.972 214 HE1 TYR 456 HE2 TYR 456 2.356 -1.208 5.957 215 HE2 TYR 456 HE1 TYR 456 -1.352 -1.259 8.069 216 HH TYR 456 HH TYR 456 0.973 -1.539 8.990 217 H TRP 457 HN TRP 457 -3.505 -5.235 3.553 218 HA TRP 457 HA TRP 457 -4.374 -5.167 0.773 219 HB2 TRP 457 HB2 TRP 457 -5.534 -6.657 3.146 220 HB3 TRP 457 HB1 TRP 457 -5.965 -6.903 1.456 221 HD1 TRP 457 HD1 TRP 457 -3.188 -7.638 3.978 222 HE1 TRP 457 HE1 TRP 457 -1.640 -9.449 3.003 223 HE3 TRP 457 HE3 TRP 457 -5.122 -7.899 -0.750 224 HZ2 TRP 457 HZ2 TRP 457 -1.288 -10.806 0.556 225 HZ3 TRP 457 HZ3 TRP 457 -4.121 -9.482 -2.346 226 HH2 TRP 457 HH2 TRP 457 -2.243 -10.905 -1.704 227 H GLU 458 HN GLU 458 -4.690 -3.242 3.321 228 HA GLU 458 HA GLU 458 -7.351 -2.273 2.518 229 HB2 GLU 458 HB2 GLU 458 -7.045 -3.277 4.905 230 HB3 GLU 458 HB1 GLU 458 -6.148 -1.803 5.241 231 HG2 GLU 458 HG2 GLU 458 -8.402 -1.533 5.984 232 HG3 GLU 458 HG1 GLU 458 -8.134 -0.491 4.587 233 H LYS 459 HN LYS 459 -7.369 -0.162 1.852 234 HA LYS 459 HA LYS 459 -4.900 1.052 1.228 235 HB2 LYS 459 HB2 LYS 459 -7.703 2.148 1.176 236 HB3 LYS 459 HB1 LYS 459 -6.307 3.011 0.547 237 HG2 LYS 459 HG2 LYS 459 -5.914 1.088 -0.998 238 HG3 LYS 459 HG1 LYS 459 -7.450 0.414 -0.452 239 HD2 LYS 459 HD2 LYS 459 -7.128 3.142 -1.694 240 HD3 LYS 459 HD1 LYS 459 -7.613 1.696 -2.577 241 HE2 LYS 459 HE2 LYS 459 -9.099 2.769 -0.187 242 HE3 LYS 459 HE1 LYS 459 -9.492 3.200 -1.849 243 HZ1 LYS 459 HZ1 LYS 459 -9.543 0.455 -0.710 244 HZ2 LYS 459 HZ2 LYS 459 -9.897 0.857 -2.318 245 HZ3 LYS 459 HZ3 LYS 459 -10.894 1.411 -1.068 246 HA PRO 460 HA PRO 460 -4.166 3.012 5.175 247 HB2 PRO 460 HB2 PRO 460 -1.837 4.192 4.440 248 HB3 PRO 460 HB1 PRO 460 -1.952 2.475 4.833 249 HG2 PRO 460 HG2 PRO 460 -1.933 3.803 2.147 250 HG3 PRO 460 HG1 PRO 460 -1.057 2.355 2.687 251 HD2 PRO 460 HD2 PRO 460 -3.329 2.206 1.241 252 HD3 PRO 460 HD1 PRO 460 -2.910 1.000 2.476 253 H GLN 461 HN GLN 461 -4.362 5.084 5.994 254 HA GLN 461 HA GLN 461 -5.709 6.984 4.355 255 HB2 GLN 461 HB2 GLN 461 -5.958 6.599 6.890 256 HB3 GLN 461 HB1 GLN 461 -4.505 7.574 7.057 257 HG2 GLN 461 HG2 GLN 461 -6.389 8.982 7.404 258 HG3 GLN 461 HG1 GLN 461 -5.669 9.408 5.853 259 HE21 GLN 461 HE21 GLN 461 -7.621 6.560 6.389 260 HE22 GLN 461 HE22 GLN 461 -8.971 7.060 5.428 261 H GLU 462 HN GLU 462 -2.454 6.293 4.923 262 HA GLU 462 HA GLU 462 -1.303 8.867 4.599 263 HB2 GLU 462 HB2 GLU 462 0.089 6.359 3.726 264 HB3 GLU 462 HB1 GLU 462 0.758 7.777 4.521 265 HG2 GLU 462 HG2 GLU 462 -1.045 5.759 5.837 266 HG3 GLU 462 HG1 GLU 462 0.712 5.763 5.946 267 H LEU 463 HN LEU 463 -2.764 6.646 2.470 268 HA LEU 463 HA LEU 463 -1.351 7.499 0.095 269 HB2 LEU 463 HB2 LEU 463 -2.065 5.159 0.408 270 HB3 LEU 463 HB1 LEU 463 -3.738 5.680 0.418 271 HG LEU 463 HG LEU 463 -3.504 6.440 -1.918 272 HD11 LEU 463 HD11 LEU 463 -1.113 6.927 -1.913 273 HD12 LEU 463 HD12 LEU 463 -1.527 5.799 -3.204 274 HD13 LEU 463 HD13 LEU 463 -0.756 5.210 -1.731 275 HD21 LEU 463 HD21 LEU 463 -3.380 4.204 -2.920 276 HD22 LEU 463 HD22 LEU 463 -4.351 4.212 -1.447 277 HD23 LEU 463 HD23 LEU 463 -2.705 3.576 -1.415 278 H LYS 464 HN LYS 464 -4.331 8.161 1.743 279 HA LYS 464 HA LYS 464 -5.466 9.610 -0.496 280 HB2 LYS 464 HB2 LYS 464 -6.940 8.300 0.960 281 HB3 LYS 464 HB1 LYS 464 -6.439 9.254 2.348 282 HG2 LYS 464 HG2 LYS 464 -7.449 11.241 1.361 283 HG3 LYS 464 HG1 LYS 464 -7.933 10.297 -0.051 284 HD2 LYS 464 HD2 LYS 464 -9.383 8.931 1.280 285 HD3 LYS 464 HD1 LYS 464 -8.785 9.660 2.769 286 HE2 LYS 464 HE2 LYS 464 -10.272 11.135 0.601 287 HE3 LYS 464 HE1 LYS 464 -11.007 10.506 2.073 288 HZ1 LYS 464 HZ1 LYS 464 -9.107 12.744 1.761 289 HZ2 LYS 464 HZ2 LYS 464 -9.223 11.927 3.238 290 HZ3 LYS 464 HZ3 LYS 464 -10.586 12.699 2.592 Start of MODEL 14 1 H1 GLY 428 HT1 GLY 428 -2.015 12.640 -1.152 2 H2 GLY 428 HT2 GLY 428 -2.274 11.116 -1.852 3 H3 GLY 428 HT3 GLY 428 -1.065 12.135 -2.465 4 HA2 GLY 428 HA1 GLY 428 -1.086 10.895 0.227 5 HA3 GLY 428 HA2 GLY 428 -0.105 10.371 -1.134 6 H ALA 429 HN ALA 429 1.632 11.663 -1.826 7 HA ALA 429 HA ALA 429 2.326 14.092 -0.485 8 HB1 ALA 429 HB1 ALA 429 2.903 12.501 1.293 9 HB2 ALA 429 HB2 ALA 429 4.341 13.281 0.636 10 HB3 ALA 429 HB3 ALA 429 3.947 11.626 0.172 11 H THR 430 HN THR 430 4.620 14.748 -1.146 12 HA THR 430 HA THR 430 4.898 14.212 -3.974 13 HB THR 430 HB THR 430 6.839 15.931 -3.613 14 HG1 THR 430 HG1 THR 430 6.453 17.228 -1.745 15 HG21 THR 430 HG21 THR 430 4.765 16.437 -4.802 16 HG22 THR 430 HG22 THR 430 5.221 17.784 -3.758 17 HG23 THR 430 HG23 THR 430 3.931 16.685 -3.269 18 H ALA 431 HN ALA 431 6.051 12.799 -1.212 19 HA ALA 431 HA ALA 431 8.199 11.508 -2.720 20 HB1 ALA 431 HB1 ALA 431 9.293 13.187 -1.313 21 HB2 ALA 431 HB2 ALA 431 9.688 11.553 -0.779 22 HB3 ALA 431 HB3 ALA 431 8.506 12.509 0.114 23 H VAL 432 HN VAL 432 7.142 9.608 -2.964 24 HA VAL 432 HA VAL 432 6.349 8.214 -0.485 25 HB VAL 432 HB VAL 432 5.018 7.943 -3.190 26 HG11 VAL 432 HG11 VAL 432 4.318 6.715 -0.524 27 HG12 VAL 432 HG12 VAL 432 4.986 5.867 -1.918 28 HG13 VAL 432 HG13 VAL 432 3.371 6.569 -2.003 29 HG21 VAL 432 HG21 VAL 432 4.476 10.084 -2.160 30 HG22 VAL 432 HG22 VAL 432 4.013 9.265 -0.669 31 HG23 VAL 432 HG23 VAL 432 3.075 9.014 -2.142 32 H SER 433 HN SER 433 8.105 6.921 -0.199 33 HA SER 433 HA SER 433 8.645 5.009 -2.378 34 HB2 SER 433 HB2 SER 433 10.565 6.553 -1.971 35 HB3 SER 433 HB1 SER 433 10.629 5.983 -0.302 36 HG SER 433 HG SER 433 10.885 3.822 -1.275 37 H GLU 434 HN GLU 434 7.332 5.442 0.602 38 HA GLU 434 HA GLU 434 8.171 2.893 1.728 39 HB2 GLU 434 HB2 GLU 434 6.363 5.060 2.815 40 HB3 GLU 434 HB1 GLU 434 6.770 3.585 3.675 41 HG2 GLU 434 HG2 GLU 434 8.108 5.400 4.497 42 HG3 GLU 434 HG1 GLU 434 9.136 4.244 3.655 43 H TRP 435 HN TRP 435 5.675 4.143 -0.191 44 HA TRP 435 HA TRP 435 3.952 1.841 0.446 45 HB2 TRP 435 HB2 TRP 435 3.065 4.556 -0.562 46 HB3 TRP 435 HB1 TRP 435 2.017 3.199 -0.165 47 HD1 TRP 435 HD1 TRP 435 3.341 6.293 1.300 48 HE1 TRP 435 HE1 TRP 435 2.969 6.344 3.841 49 HE3 TRP 435 HE3 TRP 435 2.138 1.378 2.038 50 HZ2 TRP 435 HZ2 TRP 435 2.257 4.540 5.892 51 HZ3 TRP 435 HZ3 TRP 435 1.624 0.627 4.319 52 HH2 TRP 435 HH2 TRP 435 1.683 2.175 6.205 53 H THR 436 HN THR 436 3.906 0.413 -1.153 54 HA THR 436 HA THR 436 3.945 1.421 -3.917 55 HB THR 436 HB THR 436 5.325 -1.100 -2.967 56 HG1 THR 436 HG1 THR 436 6.132 1.528 -3.120 57 HG21 THR 436 HG21 THR 436 6.278 -1.142 -5.225 58 HG22 THR 436 HG22 THR 436 5.340 0.289 -5.654 59 HG23 THR 436 HG23 THR 436 4.518 -1.226 -5.278 60 H GLU 437 HN GLU 437 2.092 0.929 -4.900 61 HA GLU 437 HA GLU 437 0.413 -1.184 -3.806 62 HB2 GLU 437 HB2 GLU 437 -1.335 -0.281 -5.296 63 HB3 GLU 437 HB1 GLU 437 -0.662 0.942 -4.230 64 HG2 GLU 437 HG2 GLU 437 0.680 1.820 -6.045 65 HG3 GLU 437 HG1 GLU 437 0.072 0.564 -7.124 66 H TYR 438 HN TYR 438 0.353 -3.143 -4.602 67 HA TYR 438 HA TYR 438 1.262 -3.592 -7.359 68 HB2 TYR 438 HB2 TYR 438 0.934 -5.521 -5.057 69 HB3 TYR 438 HB1 TYR 438 1.415 -5.983 -6.683 70 HD1 TYR 438 HD2 TYR 438 2.472 -4.333 -3.589 71 HD2 TYR 438 HD1 TYR 438 3.641 -5.498 -7.509 72 HE1 TYR 438 HE2 TYR 438 4.823 -3.940 -2.997 73 HE2 TYR 438 HE1 TYR 438 6.000 -5.113 -6.927 74 HH TYR 438 HH TYR 438 7.037 -4.651 -3.712 75 H LYS 439 HN LYS 439 -0.217 -3.941 -8.846 76 HA LYS 439 HA LYS 439 -2.920 -4.728 -8.005 77 HB2 LYS 439 HB2 LYS 439 -2.746 -2.579 -9.208 78 HB3 LYS 439 HB1 LYS 439 -1.994 -3.403 -10.568 79 HG2 LYS 439 HG2 LYS 439 -4.316 -2.975 -11.051 80 HG3 LYS 439 HG1 LYS 439 -4.058 -4.712 -10.883 81 HD2 LYS 439 HD2 LYS 439 -6.074 -4.175 -9.728 82 HD3 LYS 439 HD1 LYS 439 -4.841 -4.517 -8.514 83 HE2 LYS 439 HE2 LYS 439 -6.017 -2.589 -7.781 84 HE3 LYS 439 HE1 LYS 439 -4.447 -2.041 -8.361 85 HZ1 LYS 439 HZ1 LYS 439 -6.936 -1.967 -9.976 86 HZ2 LYS 439 HZ2 LYS 439 -5.437 -1.276 -10.378 87 HZ3 LYS 439 HZ3 LYS 439 -6.341 -0.653 -9.082 88 H THR 440 HN THR 440 -3.466 -6.779 -8.356 89 HA THR 440 HA THR 440 -1.944 -8.377 -10.253 90 HB THR 440 HB THR 440 -3.244 -10.289 -9.352 91 HG1 THR 440 HG1 THR 440 -4.888 -9.983 -8.032 92 HG21 THR 440 HG21 THR 440 -1.941 -8.548 -7.261 93 HG22 THR 440 HG22 THR 440 -1.123 -9.697 -8.320 94 HG23 THR 440 HG23 THR 440 -2.260 -10.275 -7.100 95 H ALA 441 HN ALA 441 -2.887 -9.522 -11.967 96 HA ALA 441 HA ALA 441 -4.820 -8.218 -13.492 97 HB1 ALA 441 HB1 ALA 441 -3.165 -9.773 -14.413 98 HB2 ALA 441 HB2 ALA 441 -4.804 -10.180 -14.922 99 HB3 ALA 441 HB3 ALA 441 -4.014 -11.119 -13.655 100 H ASP 442 HN ASP 442 -5.171 -10.676 -11.036 101 HA ASP 442 HA ASP 442 -7.879 -11.334 -11.692 102 HB2 ASP 442 HB2 ASP 442 -7.896 -12.479 -9.475 103 HB3 ASP 442 HB1 ASP 442 -6.578 -12.981 -10.526 104 H GLY 443 HN GLY 443 -6.528 -8.613 -10.284 105 HA2 GLY 443 HA2 GLY 443 -7.798 -6.690 -9.858 106 HA3 GLY 443 HA1 GLY 443 -9.219 -7.696 -9.647 107 H LYS 444 HN LYS 444 -6.126 -8.119 -7.974 108 HA LYS 444 HA LYS 444 -7.433 -7.119 -5.530 109 HB2 LYS 444 HB2 LYS 444 -5.259 -9.209 -5.766 110 HB3 LYS 444 HB1 LYS 444 -5.838 -8.535 -4.250 111 HG2 LYS 444 HG2 LYS 444 -8.151 -9.364 -5.009 112 HG3 LYS 444 HG1 LYS 444 -7.250 -10.352 -6.160 113 HD2 LYS 444 HD2 LYS 444 -6.955 -10.374 -3.156 114 HD3 LYS 444 HD1 LYS 444 -7.715 -11.621 -4.142 115 HE2 LYS 444 HE2 LYS 444 -4.818 -10.804 -4.315 116 HE3 LYS 444 HE1 LYS 444 -5.425 -12.197 -3.425 117 HZ1 LYS 444 HZ1 LYS 444 -5.728 -11.786 -6.353 118 HZ2 LYS 444 HZ2 LYS 444 -6.227 -13.144 -5.470 119 HZ3 LYS 444 HZ3 LYS 444 -4.575 -12.792 -5.614 120 H THR 445 HN THR 445 -6.236 -5.765 -4.185 121 HA THR 445 HA THR 445 -3.761 -4.698 -5.377 122 HB THR 445 HB THR 445 -5.651 -2.946 -3.836 123 HG1 THR 445 HG1 THR 445 -6.271 -4.155 -6.114 124 HG21 THR 445 HG21 THR 445 -4.619 -1.192 -5.224 125 HG22 THR 445 HG22 THR 445 -3.644 -2.419 -6.036 126 HG23 THR 445 HG23 THR 445 -3.408 -2.101 -4.317 127 H TYR 446 HN TYR 446 -2.136 -5.217 -4.003 128 HA TYR 446 HA TYR 446 -2.693 -4.796 -1.152 129 HB2 TYR 446 HB2 TYR 446 -0.998 -6.455 -0.580 130 HB3 TYR 446 HB1 TYR 446 -2.259 -7.158 -1.577 131 HD1 TYR 446 HD1 TYR 446 -1.747 -7.652 -4.014 132 HD2 TYR 446 HD2 TYR 446 1.261 -6.538 -1.216 133 HE1 TYR 446 HE1 TYR 446 -0.024 -8.610 -5.488 134 HE2 TYR 446 HE2 TYR 446 2.987 -7.482 -2.686 135 HH TYR 446 HH TYR 446 2.419 -8.338 -5.901 136 H TYR 447 HN TYR 447 -1.653 -3.268 -0.184 137 HA TYR 447 HA TYR 447 0.411 -1.794 -1.626 138 HB2 TYR 447 HB2 TYR 447 -1.089 -1.093 0.913 139 HB3 TYR 447 HB1 TYR 447 -0.029 -0.019 0.005 140 HD1 TYR 447 HD1 TYR 447 -0.761 0.979 -2.089 141 HD2 TYR 447 HD2 TYR 447 -3.322 -1.630 0.091 142 HE1 TYR 447 HE1 TYR 447 -2.669 1.725 -3.447 143 HE2 TYR 447 HE2 TYR 447 -5.236 -0.890 -1.265 144 HH TYR 447 HH TYR 447 -4.885 0.879 -4.130 145 H TYR 448 HN TYR 448 2.447 -2.284 -1.215 146 HA TYR 448 HA TYR 448 3.100 -3.663 1.265 147 HB2 TYR 448 HB2 TYR 448 3.907 -4.429 -1.035 148 HB3 TYR 448 HB1 TYR 448 4.987 -3.039 -1.005 149 HD1 TYR 448 HD1 TYR 448 4.149 -6.202 0.723 150 HD2 TYR 448 HD2 TYR 448 7.021 -3.109 0.209 151 HE1 TYR 448 HE1 TYR 448 5.797 -7.534 1.971 152 HE2 TYR 448 HE2 TYR 448 8.676 -4.428 1.455 153 HH TYR 448 HH TYR 448 8.806 -6.221 3.023 154 H ASN 449 HN ASN 449 3.986 -2.690 2.931 155 HA ASN 449 HA ASN 449 4.943 0.050 2.696 156 HB2 ASN 449 HB2 ASN 449 3.490 -0.622 4.619 157 HB3 ASN 449 HB1 ASN 449 4.745 -1.742 5.136 158 HD21 ASN 449 HD21 ASN 449 3.576 0.490 6.570 159 HD22 ASN 449 HD22 ASN 449 4.873 1.576 6.949 160 H ASN 450 HN ASN 450 6.922 0.228 1.918 161 HA ASN 450 HA ASN 450 8.848 -1.889 2.060 162 HB2 ASN 450 HB2 ASN 450 9.155 0.969 1.109 163 HB3 ASN 450 HB1 ASN 450 10.338 -0.311 0.864 164 HD21 ASN 450 HD21 ASN 450 8.769 1.348 -1.028 165 HD22 ASN 450 HD22 ASN 450 7.961 0.212 -2.061 166 H ARG 451 HN ARG 451 7.991 0.565 4.178 167 HA ARG 451 HA ARG 451 10.672 0.986 5.226 168 HB2 ARG 451 HB2 ARG 451 9.040 2.865 4.967 169 HB3 ARG 451 HB1 ARG 451 8.041 2.112 6.199 170 HG2 ARG 451 HG2 ARG 451 9.318 3.894 7.173 171 HG3 ARG 451 HG1 ARG 451 9.897 2.352 7.806 172 HD2 ARG 451 HD2 ARG 451 11.759 3.828 7.267 173 HD3 ARG 451 HD1 ARG 451 11.763 2.406 6.228 174 HE ARG 451 HE ARG 451 10.392 4.288 4.797 175 HH11 ARG 451 HH11 ARG 451 13.522 4.197 6.337 176 HH12 ARG 451 HH12 ARG 451 14.286 5.211 5.152 177 HH21 ARG 451 HH21 ARG 451 11.368 5.645 3.225 178 HH22 ARG 451 HH22 ARG 451 13.059 6.046 3.387 179 H THR 452 HN THR 452 7.964 -1.042 5.806 180 HA THR 452 HA THR 452 9.178 -1.897 8.343 181 HB THR 452 HB THR 452 6.187 -1.797 8.074 182 HG1 THR 452 HG1 THR 452 6.776 0.338 7.763 183 HG21 THR 452 HG21 THR 452 6.310 -1.652 10.527 184 HG22 THR 452 HG22 THR 452 8.070 -1.687 10.437 185 HG23 THR 452 HG23 THR 452 7.130 -3.089 9.922 186 H LEU 453 HN LEU 453 8.109 -2.742 5.316 187 HA LEU 453 HA LEU 453 8.000 -4.715 4.202 188 HB2 LEU 453 HB2 LEU 453 8.773 -5.973 6.838 189 HB3 LEU 453 HB1 LEU 453 8.782 -6.776 5.280 190 HG LEU 453 HG LEU 453 10.557 -4.470 6.087 191 HD11 LEU 453 HD11 LEU 453 11.186 -7.379 5.609 192 HD12 LEU 453 HD12 LEU 453 11.143 -6.573 7.177 193 HD13 LEU 453 HD13 LEU 453 12.354 -6.112 5.980 194 HD21 LEU 453 HD21 LEU 453 10.009 -4.390 3.713 195 HD22 LEU 453 HD22 LEU 453 10.490 -6.078 3.537 196 HD23 LEU 453 HD23 LEU 453 11.690 -4.856 3.960 197 H GLU 454 HN GLU 454 5.679 -3.571 5.525 198 HA GLU 454 HA GLU 454 4.151 -5.976 6.268 199 HB2 GLU 454 HB2 GLU 454 3.535 -3.074 6.839 200 HB3 GLU 454 HB1 GLU 454 2.578 -4.450 7.372 201 HG2 GLU 454 HG2 GLU 454 4.447 -5.235 8.726 202 HG3 GLU 454 HG1 GLU 454 5.416 -3.862 8.185 203 H SER 455 HN SER 455 2.632 -6.700 4.911 204 HA SER 455 HA SER 455 1.846 -5.089 2.617 205 HB2 SER 455 HB2 SER 455 1.036 -7.917 3.345 206 HB3 SER 455 HB1 SER 455 0.818 -7.129 1.784 207 HG SER 455 HG SER 455 3.315 -7.697 3.031 208 H TYR 456 HN TYR 456 0.059 -3.864 2.634 209 HA TYR 456 HA TYR 456 -2.111 -4.553 4.519 210 HB2 TYR 456 HB2 TYR 456 -1.535 -1.893 3.196 211 HB3 TYR 456 HB1 TYR 456 -2.815 -2.213 4.355 212 HD1 TYR 456 HD1 TYR 456 -2.101 -2.916 6.730 213 HD2 TYR 456 HD2 TYR 456 0.552 -1.169 3.901 214 HE1 TYR 456 HE1 TYR 456 -0.601 -2.229 8.561 215 HE2 TYR 456 HE2 TYR 456 2.057 -0.489 5.719 216 HH TYR 456 HH TYR 456 2.118 -1.672 8.640 217 H TRP 457 HN TRP 457 -4.028 -5.203 3.647 218 HA TRP 457 HA TRP 457 -4.286 -5.134 0.747 219 HB2 TRP 457 HB2 TRP 457 -6.000 -6.412 2.887 220 HB3 TRP 457 HB1 TRP 457 -6.334 -6.516 1.159 221 HD1 TRP 457 HD1 TRP 457 -3.967 -7.844 3.837 222 HE1 TRP 457 HE1 TRP 457 -2.597 -9.791 2.861 223 HE3 TRP 457 HE3 TRP 457 -5.404 -7.448 -1.055 224 HZ2 TRP 457 HZ2 TRP 457 -2.189 -10.999 0.333 225 HZ3 TRP 457 HZ3 TRP 457 -4.478 -9.036 -2.688 226 HH2 TRP 457 HH2 TRP 457 -2.903 -10.774 -2.007 227 H GLU 458 HN GLU 458 -4.951 -3.071 3.176 228 HA GLU 458 HA GLU 458 -6.937 -1.682 1.517 229 HB2 GLU 458 HB2 GLU 458 -6.849 -1.787 4.540 230 HB3 GLU 458 HB1 GLU 458 -7.877 -0.706 3.612 231 HG2 GLU 458 HG2 GLU 458 -8.764 -2.865 2.510 232 HG3 GLU 458 HG1 GLU 458 -8.033 -3.675 3.896 233 H LYS 459 HN LYS 459 -6.509 0.406 1.114 234 HA LYS 459 HA LYS 459 -3.803 1.202 1.342 235 HB2 LYS 459 HB2 LYS 459 -5.384 1.806 -0.525 236 HB3 LYS 459 HB1 LYS 459 -6.145 2.946 0.579 237 HG2 LYS 459 HG2 LYS 459 -3.816 3.953 0.868 238 HG3 LYS 459 HG1 LYS 459 -3.377 3.008 -0.554 239 HD2 LYS 459 HD2 LYS 459 -5.499 5.142 -0.371 240 HD3 LYS 459 HD1 LYS 459 -3.975 5.231 -1.255 241 HE2 LYS 459 HE2 LYS 459 -4.715 3.458 -2.748 242 HE3 LYS 459 HE1 LYS 459 -6.220 3.300 -1.841 243 HZ1 LYS 459 HZ1 LYS 459 -5.343 5.510 -3.584 244 HZ2 LYS 459 HZ2 LYS 459 -6.509 5.770 -2.391 245 HZ3 LYS 459 HZ3 LYS 459 -6.796 4.636 -3.626 246 HA PRO 460 HA PRO 460 -3.942 3.411 5.280 247 HB2 PRO 460 HB2 PRO 460 -1.568 4.730 4.756 248 HB3 PRO 460 HB1 PRO 460 -1.675 3.133 5.504 249 HG2 PRO 460 HG2 PRO 460 -1.140 3.860 2.649 250 HG3 PRO 460 HG1 PRO 460 -0.383 2.603 3.650 251 HD2 PRO 460 HD2 PRO 460 -2.253 2.001 1.838 252 HD3 PRO 460 HD1 PRO 460 -2.175 1.152 3.398 253 H GLN 461 HN GLN 461 -4.846 5.387 5.656 254 HA GLN 461 HA GLN 461 -5.728 6.881 3.396 255 HB2 GLN 461 HB2 GLN 461 -6.944 6.536 5.625 256 HB3 GLN 461 HB1 GLN 461 -5.911 7.813 6.251 257 HG2 GLN 461 HG2 GLN 461 -8.122 8.622 5.546 258 HG3 GLN 461 HG1 GLN 461 -6.799 9.380 4.663 259 HE21 GLN 461 HE21 GLN 461 -9.457 7.140 4.468 260 HE22 GLN 461 HE22 GLN 461 -9.521 7.054 2.744 261 H GLU 462 HN GLU 462 -2.851 6.884 5.039 262 HA GLU 462 HA GLU 462 -2.063 9.593 4.891 263 HB2 GLU 462 HB2 GLU 462 -0.302 7.162 4.509 264 HB3 GLU 462 HB1 GLU 462 0.208 8.763 5.025 265 HG2 GLU 462 HG2 GLU 462 -1.643 6.999 6.600 266 HG3 GLU 462 HG1 GLU 462 0.102 7.068 6.833 267 H LEU 463 HN LEU 463 -2.471 7.093 2.552 268 HA LEU 463 HA LEU 463 -0.834 8.443 0.556 269 HB2 LEU 463 HB2 LEU 463 -0.689 5.985 0.875 270 HB3 LEU 463 HB1 LEU 463 -2.360 5.848 0.370 271 HG LEU 463 HG LEU 463 -1.757 6.697 -1.859 272 HD11 LEU 463 HD11 LEU 463 1.066 6.635 -0.806 273 HD12 LEU 463 HD12 LEU 463 0.147 8.084 -1.214 274 HD13 LEU 463 HD13 LEU 463 0.591 6.935 -2.477 275 HD21 LEU 463 HD21 LEU 463 -0.464 4.724 -2.574 276 HD22 LEU 463 HD22 LEU 463 -1.779 4.313 -1.478 277 HD23 LEU 463 HD23 LEU 463 -0.122 4.360 -0.880 278 H LYS 464 HN LYS 464 -4.161 7.833 1.351 279 HA LYS 464 HA LYS 464 -6.126 8.611 0.551 280 HB2 LYS 464 HB2 LYS 464 -5.049 10.805 0.791 281 HB3 LYS 464 HB1 LYS 464 -4.391 10.666 -0.834 282 HG2 LYS 464 HG2 LYS 464 -6.676 10.611 -1.733 283 HG3 LYS 464 HG1 LYS 464 -7.306 10.828 -0.099 284 HD2 LYS 464 HD2 LYS 464 -6.205 12.982 0.067 285 HD3 LYS 464 HD1 LYS 464 -5.464 12.751 -1.519 286 HE2 LYS 464 HE2 LYS 464 -7.702 12.679 -2.535 287 HE3 LYS 464 HE1 LYS 464 -8.419 12.958 -0.948 288 HZ1 LYS 464 HZ1 LYS 464 -8.282 15.005 -2.201 289 HZ2 LYS 464 HZ2 LYS 464 -6.608 14.815 -2.397 290 HZ3 LYS 464 HZ3 LYS 464 -7.255 15.086 -0.853 Start of MODEL 15 1 H1 GLY 428 HT1 GLY 428 5.617 18.185 -0.449 2 H2 GLY 428 HT2 GLY 428 6.386 19.693 -0.534 3 H3 GLY 428 HT3 GLY 428 7.193 18.297 -1.059 4 HA2 GLY 428 HA1 GLY 428 4.742 19.409 -2.305 5 HA3 GLY 428 HA2 GLY 428 6.373 19.661 -2.910 6 H ALA 429 HN ALA 429 4.779 16.757 -1.603 7 HA ALA 429 HA ALA 429 5.443 15.409 -4.144 8 HB1 ALA 429 HB1 ALA 429 5.387 14.209 -1.375 9 HB2 ALA 429 HB2 ALA 429 6.838 14.618 -2.291 10 HB3 ALA 429 HB3 ALA 429 5.757 13.351 -2.871 11 H THR 430 HN THR 430 3.804 14.489 -5.207 12 HA THR 430 HA THR 430 1.137 14.671 -4.162 13 HB THR 430 HB THR 430 0.623 13.440 -6.382 14 HG1 THR 430 HG1 THR 430 2.271 13.116 -7.726 15 HG21 THR 430 HG21 THR 430 0.865 15.522 -7.656 16 HG22 THR 430 HG22 THR 430 1.943 16.162 -6.414 17 HG23 THR 430 HG23 THR 430 0.252 15.836 -6.033 18 H ALA 431 HN ALA 431 3.351 12.051 -5.052 19 HA ALA 431 HA ALA 431 1.846 10.274 -3.265 20 HB1 ALA 431 HB1 ALA 431 1.180 9.756 -5.566 21 HB2 ALA 431 HB2 ALA 431 2.087 8.428 -4.843 22 HB3 ALA 431 HB3 ALA 431 2.872 9.504 -5.999 23 H VAL 432 HN VAL 432 3.093 8.976 -2.005 24 HA VAL 432 HA VAL 432 5.972 9.398 -2.121 25 HB VAL 432 HB VAL 432 5.999 8.175 0.068 26 HG11 VAL 432 HG11 VAL 432 5.016 10.015 1.350 27 HG12 VAL 432 HG12 VAL 432 4.180 10.575 -0.099 28 HG13 VAL 432 HG13 VAL 432 5.942 10.609 -0.028 29 HG21 VAL 432 HG21 VAL 432 3.876 7.830 1.239 30 HG22 VAL 432 HG22 VAL 432 3.968 6.851 -0.225 31 HG23 VAL 432 HG23 VAL 432 2.996 8.322 -0.209 32 H SER 433 HN SER 433 7.454 7.822 -2.502 33 HA SER 433 HA SER 433 6.446 5.580 -4.032 34 HB2 SER 433 HB2 SER 433 8.955 5.282 -4.497 35 HB3 SER 433 HB1 SER 433 8.190 6.754 -5.100 36 HG SER 433 HG SER 433 10.164 6.438 -3.223 37 H GLU 434 HN GLU 434 7.041 5.981 -0.837 38 HA GLU 434 HA GLU 434 8.516 3.565 -0.331 39 HB2 GLU 434 HB2 GLU 434 6.988 5.309 1.607 40 HB3 GLU 434 HB1 GLU 434 8.150 4.057 2.028 41 HG2 GLU 434 HG2 GLU 434 9.846 5.373 0.694 42 HG3 GLU 434 HG1 GLU 434 8.663 6.679 0.665 43 H TRP 435 HN TRP 435 5.363 4.206 -1.158 44 HA TRP 435 HA TRP 435 4.428 1.675 -0.004 45 HB2 TRP 435 HB2 TRP 435 2.921 3.982 -1.249 46 HB3 TRP 435 HB1 TRP 435 2.171 2.431 -0.902 47 HD1 TRP 435 HD1 TRP 435 3.139 5.682 0.720 48 HE1 TRP 435 HE1 TRP 435 2.457 5.659 3.208 49 HE3 TRP 435 HE3 TRP 435 1.952 0.729 1.166 50 HZ2 TRP 435 HZ2 TRP 435 1.542 3.763 5.103 51 HZ3 TRP 435 HZ3 TRP 435 1.183 -0.107 3.345 52 HH2 TRP 435 HH2 TRP 435 0.981 1.377 5.272 53 H THR 436 HN THR 436 4.963 0.022 -1.282 54 HA THR 436 HA THR 436 5.134 0.419 -4.166 55 HB THR 436 HB THR 436 5.761 -2.067 -2.560 56 HG1 THR 436 HG1 THR 436 7.020 0.199 -2.471 57 HG21 THR 436 HG21 THR 436 7.077 -2.710 -4.526 58 HG22 THR 436 HG22 THR 436 6.569 -1.238 -5.353 59 HG23 THR 436 HG23 THR 436 5.382 -2.479 -4.953 60 H GLU 437 HN GLU 437 3.414 0.082 -5.393 61 HA GLU 437 HA GLU 437 1.151 -1.391 -4.319 62 HB2 GLU 437 HB2 GLU 437 -0.017 -0.508 -6.364 63 HB3 GLU 437 HB1 GLU 437 0.595 0.725 -5.271 64 HG2 GLU 437 HG2 GLU 437 2.468 1.151 -6.717 65 HG3 GLU 437 HG1 GLU 437 2.004 -0.185 -7.769 66 H TYR 438 HN TYR 438 0.739 -3.430 -4.815 67 HA TYR 438 HA TYR 438 1.822 -4.508 -7.334 68 HB2 TYR 438 HB2 TYR 438 1.017 -5.920 -4.784 69 HB3 TYR 438 HB1 TYR 438 1.455 -6.750 -6.272 70 HD1 TYR 438 HD2 TYR 438 3.783 -6.487 -7.172 71 HD2 TYR 438 HD1 TYR 438 2.679 -5.111 -3.300 72 HE1 TYR 438 HE2 TYR 438 6.154 -6.410 -6.531 73 HE2 TYR 438 HE1 TYR 438 5.052 -5.027 -2.650 74 HH TYR 438 HH TYR 438 7.198 -6.105 -3.336 75 H LYS 439 HN LYS 439 0.414 -4.770 -8.904 76 HA LYS 439 HA LYS 439 -2.456 -4.789 -8.250 77 HB2 LYS 439 HB2 LYS 439 -1.801 -2.903 -9.611 78 HB3 LYS 439 HB1 LYS 439 -0.967 -3.954 -10.744 79 HG2 LYS 439 HG2 LYS 439 -2.969 -3.357 -11.799 80 HG3 LYS 439 HG1 LYS 439 -3.220 -5.003 -11.223 81 HD2 LYS 439 HD2 LYS 439 -5.196 -3.712 -10.764 82 HD3 LYS 439 HD1 LYS 439 -4.388 -4.068 -9.236 83 HE2 LYS 439 HE2 LYS 439 -3.485 -1.860 -9.118 84 HE3 LYS 439 HE1 LYS 439 -4.023 -1.495 -10.757 85 HZ1 LYS 439 HZ1 LYS 439 -6.303 -1.627 -10.029 86 HZ2 LYS 439 HZ2 LYS 439 -5.463 -0.511 -9.067 87 HZ3 LYS 439 HZ3 LYS 439 -5.823 -2.053 -8.457 88 H THR 440 HN THR 440 -3.371 -6.748 -8.349 89 HA THR 440 HA THR 440 -2.349 -8.735 -10.227 90 HB THR 440 HB THR 440 -3.880 -10.302 -9.127 91 HG1 THR 440 HG1 THR 440 -5.386 -9.648 -7.743 92 HG21 THR 440 HG21 THR 440 -1.653 -9.997 -8.167 93 HG22 THR 440 HG22 THR 440 -2.840 -10.322 -6.904 94 HG23 THR 440 HG23 THR 440 -2.257 -8.678 -7.163 95 H ALA 441 HN ALA 441 -3.676 -9.719 -11.805 96 HA ALA 441 HA ALA 441 -5.387 -8.005 -13.223 97 HB1 ALA 441 HB1 ALA 441 -5.892 -9.932 -14.618 98 HB2 ALA 441 HB2 ALA 441 -5.214 -11.010 -13.398 99 HB3 ALA 441 HB3 ALA 441 -4.169 -9.871 -14.246 100 H ASP 442 HN ASP 442 -6.012 -10.329 -10.715 101 HA ASP 442 HA ASP 442 -8.838 -10.487 -11.097 102 HB2 ASP 442 HB2 ASP 442 -8.778 -11.500 -8.770 103 HB3 ASP 442 HB1 ASP 442 -7.835 -12.330 -10.004 104 H GLY 443 HN GLY 443 -6.892 -8.037 -9.924 105 HA2 GLY 443 HA2 GLY 443 -7.738 -5.901 -9.473 106 HA3 GLY 443 HA1 GLY 443 -9.293 -6.616 -9.091 107 H LYS 444 HN LYS 444 -6.335 -7.806 -7.632 108 HA LYS 444 HA LYS 444 -7.146 -6.489 -5.129 109 HB2 LYS 444 HB2 LYS 444 -5.548 -9.025 -5.529 110 HB3 LYS 444 HB1 LYS 444 -5.775 -8.242 -3.972 111 HG2 LYS 444 HG2 LYS 444 -8.289 -8.482 -4.445 112 HG3 LYS 444 HG1 LYS 444 -7.796 -9.632 -5.688 113 HD2 LYS 444 HD2 LYS 444 -7.054 -9.810 -2.771 114 HD3 LYS 444 HD1 LYS 444 -8.355 -10.718 -3.540 115 HE2 LYS 444 HE2 LYS 444 -5.445 -10.868 -4.324 116 HE3 LYS 444 HE1 LYS 444 -6.260 -12.019 -3.264 117 HZ1 LYS 444 HZ1 LYS 444 -7.811 -12.463 -5.141 118 HZ2 LYS 444 HZ2 LYS 444 -6.210 -12.927 -5.437 119 HZ3 LYS 444 HZ3 LYS 444 -6.822 -11.503 -6.134 120 H THR 445 HN THR 445 -6.017 -4.732 -4.755 121 HA THR 445 HA THR 445 -3.223 -4.638 -5.679 122 HB THR 445 HB THR 445 -4.933 -2.257 -4.951 123 HG1 THR 445 HG1 THR 445 -5.936 -3.288 -6.700 124 HG21 THR 445 HG21 THR 445 -2.428 -2.551 -6.614 125 HG22 THR 445 HG22 THR 445 -2.520 -1.868 -4.991 126 HG23 THR 445 HG23 THR 445 -3.306 -1.046 -6.340 127 H TYR 446 HN TYR 446 -2.082 -5.401 -3.960 128 HA TYR 446 HA TYR 446 -2.639 -4.250 -1.336 129 HB2 TYR 446 HB2 TYR 446 -1.018 -5.988 -0.496 130 HB3 TYR 446 HB1 TYR 446 -2.501 -6.612 -1.199 131 HD1 TYR 446 HD1 TYR 446 -2.370 -7.420 -3.658 132 HD2 TYR 446 HD2 TYR 446 1.041 -6.799 -1.192 133 HE1 TYR 446 HE1 TYR 446 -1.065 -8.923 -5.098 134 HE2 TYR 446 HE2 TYR 446 2.361 -8.296 -2.630 135 HH TYR 446 HH TYR 446 1.863 -10.230 -4.215 136 H TYR 447 HN TYR 447 -1.449 -2.767 -0.470 137 HA TYR 447 HA TYR 447 0.888 -1.795 -1.925 138 HB2 TYR 447 HB2 TYR 447 -0.641 -0.499 0.345 139 HB3 TYR 447 HB1 TYR 447 0.591 0.263 -0.657 140 HD1 TYR 447 HD1 TYR 447 0.089 0.913 -2.964 141 HD2 TYR 447 HD2 TYR 447 -2.894 -0.830 -0.480 142 HE1 TYR 447 HE1 TYR 447 -1.647 1.649 -4.544 143 HE2 TYR 447 HE2 TYR 447 -4.638 -0.100 -2.052 144 HH TYR 447 HH TYR 447 -3.907 1.111 -5.178 145 H TYR 448 HN TYR 448 2.818 -2.350 -1.252 146 HA TYR 448 HA TYR 448 3.155 -3.437 1.440 147 HB2 TYR 448 HB2 TYR 448 4.000 -4.479 -0.825 148 HB3 TYR 448 HB1 TYR 448 5.330 -3.348 -0.623 149 HD1 TYR 448 HD1 TYR 448 3.715 -6.355 0.674 150 HD2 TYR 448 HD2 TYR 448 6.957 -3.647 1.175 151 HE1 TYR 448 HE1 TYR 448 4.819 -7.966 2.164 152 HE2 TYR 448 HE2 TYR 448 8.071 -5.254 2.667 153 HH TYR 448 HH TYR 448 7.334 -7.174 4.180 154 H ASN 449 HN ASN 449 3.916 -2.175 3.011 155 HA ASN 449 HA ASN 449 5.300 0.306 2.342 156 HB2 ASN 449 HB2 ASN 449 3.568 0.334 4.118 157 HB3 ASN 449 HB1 ASN 449 4.530 -0.808 5.054 158 HD21 ASN 449 HD21 ASN 449 4.215 2.466 3.972 159 HD22 ASN 449 HD22 ASN 449 5.432 3.136 4.999 160 H ASN 450 HN ASN 450 7.434 0.307 2.119 161 HA ASN 450 HA ASN 450 8.931 -2.043 2.874 162 HB2 ASN 450 HB2 ASN 450 9.808 0.481 1.464 163 HB3 ASN 450 HB1 ASN 450 10.799 -0.959 1.673 164 HD21 ASN 450 HD21 ASN 450 9.898 0.354 -0.760 165 HD22 ASN 450 HD22 ASN 450 9.011 -0.843 -1.652 166 H ARG 451 HN ARG 451 8.070 0.590 4.610 167 HA ARG 451 HA ARG 451 10.652 1.006 5.889 168 HB2 ARG 451 HB2 ARG 451 7.953 2.236 6.474 169 HB3 ARG 451 HB1 ARG 451 9.449 2.662 7.287 170 HG2 ARG 451 HG2 ARG 451 9.042 2.943 4.322 171 HG3 ARG 451 HG1 ARG 451 8.709 4.230 5.479 172 HD2 ARG 451 HD2 ARG 451 10.894 4.579 4.552 173 HD3 ARG 451 HD1 ARG 451 11.068 4.094 6.235 174 HE ARG 451 HE ARG 451 11.839 1.960 5.498 175 HH11 ARG 451 HH11 ARG 451 11.416 4.316 2.946 176 HH12 ARG 451 HH12 ARG 451 12.482 3.498 1.831 177 HH21 ARG 451 HH21 ARG 451 13.251 0.877 4.043 178 HH22 ARG 451 HH22 ARG 451 13.520 1.543 2.459 179 H THR 452 HN THR 452 7.549 -0.506 6.526 180 HA THR 452 HA THR 452 8.687 -1.601 9.016 181 HB THR 452 HB THR 452 6.275 -1.978 9.680 182 HG1 THR 452 HG1 THR 452 4.689 -1.042 8.489 183 HG21 THR 452 HG21 THR 452 7.152 0.878 9.240 184 HG22 THR 452 HG22 THR 452 7.579 -0.137 10.617 185 HG23 THR 452 HG23 THR 452 5.903 0.349 10.366 186 H LEU 453 HN LEU 453 7.971 -2.350 5.893 187 HA LEU 453 HA LEU 453 7.887 -4.268 4.693 188 HB2 LEU 453 HB2 LEU 453 8.511 -5.564 7.345 189 HB3 LEU 453 HB1 LEU 453 8.491 -6.412 5.811 190 HG LEU 453 HG LEU 453 10.365 -4.166 6.561 191 HD11 LEU 453 HD11 LEU 453 12.088 -5.894 6.510 192 HD12 LEU 453 HD12 LEU 453 10.859 -7.115 6.183 193 HD13 LEU 453 HD13 LEU 453 10.857 -6.253 7.722 194 HD21 LEU 453 HD21 LEU 453 9.825 -4.137 4.180 195 HD22 LEU 453 HD22 LEU 453 10.237 -5.848 4.058 196 HD23 LEU 453 HD23 LEU 453 11.486 -4.666 4.447 197 H GLU 454 HN GLU 454 5.534 -3.119 5.994 198 HA GLU 454 HA GLU 454 3.883 -5.456 6.593 199 HB2 GLU 454 HB2 GLU 454 3.271 -2.508 6.841 200 HB3 GLU 454 HB1 GLU 454 2.202 -3.811 7.336 201 HG2 GLU 454 HG2 GLU 454 3.859 -4.545 8.976 202 HG3 GLU 454 HG1 GLU 454 4.922 -3.231 8.480 203 H SER 455 HN SER 455 2.346 -6.204 5.285 204 HA SER 455 HA SER 455 1.937 -4.855 2.710 205 HB2 SER 455 HB2 SER 455 2.687 -7.209 2.647 206 HB3 SER 455 HB1 SER 455 1.264 -7.685 3.570 207 HG SER 455 HG SER 455 0.352 -7.878 1.696 208 H TYR 456 HN TYR 456 0.148 -3.681 2.476 209 HA TYR 456 HA TYR 456 -2.185 -4.322 4.157 210 HB2 TYR 456 HB2 TYR 456 -1.212 -1.713 3.003 211 HB3 TYR 456 HB1 TYR 456 -2.853 -1.914 3.605 212 HD1 TYR 456 HD1 TYR 456 -3.288 -2.164 5.972 213 HD2 TYR 456 HD2 TYR 456 0.682 -1.688 4.531 214 HE1 TYR 456 HE1 TYR 456 -2.522 -1.680 8.258 215 HE2 TYR 456 HE2 TYR 456 1.460 -1.200 6.810 216 HH TYR 456 HH TYR 456 0.584 -0.412 8.923 217 H TRP 457 HN TRP 457 -3.840 -5.219 3.140 218 HA TRP 457 HA TRP 457 -3.932 -5.233 0.246 219 HB2 TRP 457 HB2 TRP 457 -5.716 -6.497 2.340 220 HB3 TRP 457 HB1 TRP 457 -5.932 -6.705 0.604 221 HD1 TRP 457 HD1 TRP 457 -3.469 -7.601 3.430 222 HE1 TRP 457 HE1 TRP 457 -2.049 -9.612 2.665 223 HE3 TRP 457 HE3 TRP 457 -5.116 -7.967 -1.398 224 HZ2 TRP 457 HZ2 TRP 457 -1.688 -11.151 0.327 225 HZ3 TRP 457 HZ3 TRP 457 -4.183 -9.733 -2.828 226 HH2 TRP 457 HH2 TRP 457 -2.504 -11.293 -1.984 227 H GLU 458 HN GLU 458 -4.789 -3.033 2.432 228 HA GLU 458 HA GLU 458 -6.819 -1.890 0.677 229 HB2 GLU 458 HB2 GLU 458 -8.082 -1.115 2.710 230 HB3 GLU 458 HB1 GLU 458 -8.155 -2.843 2.411 231 HG2 GLU 458 HG2 GLU 458 -6.280 -3.079 4.089 232 HG3 GLU 458 HG1 GLU 458 -6.574 -1.390 4.506 233 H LYS 459 HN LYS 459 -6.909 0.418 0.772 234 HA LYS 459 HA LYS 459 -4.354 1.553 0.784 235 HB2 LYS 459 HB2 LYS 459 -7.065 2.875 0.805 236 HB3 LYS 459 HB1 LYS 459 -5.557 3.735 0.533 237 HG2 LYS 459 HG2 LYS 459 -5.164 2.221 -1.431 238 HG3 LYS 459 HG1 LYS 459 -6.810 1.626 -1.204 239 HD2 LYS 459 HD2 LYS 459 -6.086 4.524 -1.623 240 HD3 LYS 459 HD1 LYS 459 -6.626 3.435 -2.902 241 HE2 LYS 459 HE2 LYS 459 -8.754 3.152 -1.858 242 HE3 LYS 459 HE1 LYS 459 -8.220 4.008 -0.412 243 HZ1 LYS 459 HZ1 LYS 459 -8.160 6.042 -1.567 244 HZ2 LYS 459 HZ2 LYS 459 -9.625 5.314 -2.011 245 HZ3 LYS 459 HZ3 LYS 459 -8.315 5.291 -3.082 246 HA PRO 460 HA PRO 460 -3.743 2.699 5.073 247 HB2 PRO 460 HB2 PRO 460 -1.674 4.421 4.550 248 HB3 PRO 460 HB1 PRO 460 -1.483 2.670 4.680 249 HG2 PRO 460 HG2 PRO 460 -1.740 4.373 2.234 250 HG3 PRO 460 HG1 PRO 460 -0.651 3.006 2.539 251 HD2 PRO 460 HD2 PRO 460 -2.879 2.727 1.071 252 HD3 PRO 460 HD1 PRO 460 -2.306 1.436 2.149 253 H GLN 461 HN GLN 461 -3.855 4.674 6.325 254 HA GLN 461 HA GLN 461 -5.993 6.279 5.411 255 HB2 GLN 461 HB2 GLN 461 -5.546 5.684 7.794 256 HB3 GLN 461 HB1 GLN 461 -4.198 6.812 7.781 257 HG2 GLN 461 HG2 GLN 461 -6.209 7.765 8.806 258 HG3 GLN 461 HG1 GLN 461 -5.690 8.664 7.380 259 HE21 GLN 461 HE21 GLN 461 -6.942 8.628 5.539 260 HE22 GLN 461 HE22 GLN 461 -8.578 8.045 5.525 261 H GLU 462 HN GLU 462 -2.567 6.680 5.130 262 HA GLU 462 HA GLU 462 -2.783 9.538 4.668 263 HB2 GLU 462 HB2 GLU 462 -0.337 9.428 4.238 264 HB3 GLU 462 HB1 GLU 462 -0.806 8.826 5.819 265 HG2 GLU 462 HG2 GLU 462 -0.584 6.537 5.030 266 HG3 GLU 462 HG1 GLU 462 -0.144 7.125 3.427 267 H LEU 463 HN LEU 463 -3.348 6.826 2.858 268 HA LEU 463 HA LEU 463 -2.471 8.039 0.348 269 HB2 LEU 463 HB2 LEU 463 -2.099 5.599 0.816 270 HB3 LEU 463 HB1 LEU 463 -3.837 5.382 0.759 271 HG LEU 463 HG LEU 463 -3.858 6.116 -1.590 272 HD11 LEU 463 HD11 LEU 463 -1.927 7.598 -1.542 273 HD12 LEU 463 HD12 LEU 463 -1.735 6.370 -2.795 274 HD13 LEU 463 HD13 LEU 463 -0.859 6.220 -1.273 275 HD21 LEU 463 HD21 LEU 463 -1.885 3.903 -1.027 276 HD22 LEU 463 HD22 LEU 463 -2.776 4.144 -2.532 277 HD23 LEU 463 HD23 LEU 463 -3.639 3.741 -1.047 278 H LYS 464 HN LYS 464 -5.303 7.379 2.226 279 HA LYS 464 HA LYS 464 -7.452 8.040 2.105 280 HB2 LYS 464 HB2 LYS 464 -6.376 9.841 -0.056 281 HB3 LYS 464 HB1 LYS 464 -8.082 9.802 0.358 282 HG2 LYS 464 HG2 LYS 464 -7.287 11.586 1.589 283 HG3 LYS 464 HG1 LYS 464 -7.290 10.273 2.763 284 HD2 LYS 464 HD2 LYS 464 -5.226 11.258 3.122 285 HD3 LYS 464 HD1 LYS 464 -4.825 9.940 2.022 286 HE2 LYS 464 HE2 LYS 464 -5.334 12.788 1.169 287 HE3 LYS 464 HE1 LYS 464 -3.735 12.104 1.454 288 HZ1 LYS 464 HZ1 LYS 464 -4.332 12.108 -0.897 289 HZ2 LYS 464 HZ2 LYS 464 -5.676 11.131 -0.578 290 HZ3 LYS 464 HZ3 LYS 464 -4.111 10.531 -0.323 Start of MODEL 16 1 H1 GLY 428 HT1 GLY 428 5.117 21.803 -2.146 2 H2 GLY 428 HT2 GLY 428 5.188 20.633 -0.920 3 H3 GLY 428 HT3 GLY 428 4.248 20.361 -2.303 4 HA2 GLY 428 HA1 GLY 428 6.221 20.318 -3.686 5 HA3 GLY 428 HA2 GLY 428 7.203 20.608 -2.256 6 H ALA 429 HN ALA 429 4.368 18.509 -2.500 7 HA ALA 429 HA ALA 429 5.992 16.118 -2.512 8 HB1 ALA 429 HB1 ALA 429 5.177 15.262 -0.377 9 HB2 ALA 429 HB2 ALA 429 4.321 16.777 -0.085 10 HB3 ALA 429 HB3 ALA 429 6.084 16.759 -0.149 11 H THR 430 HN THR 430 4.942 14.937 -3.961 12 HA THR 430 HA THR 430 2.121 14.385 -3.577 13 HB THR 430 HB THR 430 2.073 16.356 -5.028 14 HG1 THR 430 HG1 THR 430 1.410 13.880 -6.266 15 HG21 THR 430 HG21 THR 430 3.019 16.284 -7.288 16 HG22 THR 430 HG22 THR 430 3.744 14.714 -6.933 17 HG23 THR 430 HG23 THR 430 4.274 16.150 -6.056 18 H ALA 431 HN ALA 431 4.827 13.046 -3.572 19 HA ALA 431 HA ALA 431 4.135 10.837 -5.378 20 HB1 ALA 431 HB1 ALA 431 6.911 11.990 -5.081 21 HB2 ALA 431 HB2 ALA 431 5.872 12.153 -6.496 22 HB3 ALA 431 HB3 ALA 431 6.476 10.565 -6.024 23 H VAL 432 HN VAL 432 5.009 8.776 -4.709 24 HA VAL 432 HA VAL 432 6.157 8.642 -2.047 25 HB VAL 432 HB VAL 432 3.747 8.701 -1.613 26 HG11 VAL 432 HG11 VAL 432 3.608 6.227 -3.330 27 HG12 VAL 432 HG12 VAL 432 2.910 7.804 -3.699 28 HG13 VAL 432 HG13 VAL 432 2.292 6.864 -2.343 29 HG21 VAL 432 HG21 VAL 432 5.155 7.423 -0.111 30 HG22 VAL 432 HG22 VAL 432 4.977 5.993 -1.128 31 HG23 VAL 432 HG23 VAL 432 3.578 6.650 -0.278 32 H SER 433 HN SER 433 7.478 6.954 -1.789 33 HA SER 433 HA SER 433 7.348 4.764 -3.754 34 HB2 SER 433 HB2 SER 433 9.286 6.239 -4.209 35 HB3 SER 433 HB1 SER 433 9.860 5.979 -2.563 36 HG SER 433 HG SER 433 10.504 4.007 -3.069 37 H GLU 434 HN GLU 434 7.399 5.757 -0.504 38 HA GLU 434 HA GLU 434 8.356 3.382 0.715 39 HB2 GLU 434 HB2 GLU 434 6.491 5.531 1.735 40 HB3 GLU 434 HB1 GLU 434 7.140 4.237 2.732 41 HG2 GLU 434 HG2 GLU 434 9.300 5.075 2.643 42 HG3 GLU 434 HG1 GLU 434 8.968 6.045 1.210 43 H TRP 435 HN TRP 435 5.392 4.284 -0.749 44 HA TRP 435 HA TRP 435 4.165 1.753 0.099 45 HB2 TRP 435 HB2 TRP 435 2.940 4.369 -0.770 46 HB3 TRP 435 HB1 TRP 435 2.022 2.868 -0.773 47 HD1 TRP 435 HD1 TRP 435 3.054 5.661 1.479 48 HE1 TRP 435 HE1 TRP 435 2.266 5.184 3.889 49 HE3 TRP 435 HE3 TRP 435 1.744 0.761 0.927 50 HZ2 TRP 435 HZ2 TRP 435 1.217 3.004 5.346 51 HZ3 TRP 435 HZ3 TRP 435 0.849 -0.454 2.875 52 HH2 TRP 435 HH2 TRP 435 0.595 0.646 5.038 53 H THR 436 HN THR 436 4.273 0.220 -1.381 54 HA THR 436 HA THR 436 4.222 1.006 -4.222 55 HB THR 436 HB THR 436 5.473 -1.509 -3.105 56 HG1 THR 436 HG1 THR 436 6.416 1.087 -3.229 57 HG21 THR 436 HG21 THR 436 6.600 -1.582 -5.286 58 HG22 THR 436 HG22 THR 436 5.746 -0.118 -5.775 59 HG23 THR 436 HG23 THR 436 4.846 -1.604 -5.473 60 H GLU 437 HN GLU 437 2.248 0.587 -5.017 61 HA GLU 437 HA GLU 437 0.703 -1.614 -3.907 62 HB2 GLU 437 HB2 GLU 437 -1.161 -0.709 -5.266 63 HB3 GLU 437 HB1 GLU 437 -0.512 0.446 -4.121 64 HG2 GLU 437 HG2 GLU 437 0.530 1.694 -5.814 65 HG3 GLU 437 HG1 GLU 437 0.328 0.405 -7.000 66 H TYR 438 HN TYR 438 0.516 -3.500 -4.823 67 HA TYR 438 HA TYR 438 1.479 -3.829 -7.577 68 HB2 TYR 438 HB2 TYR 438 1.157 -5.798 -5.311 69 HB3 TYR 438 HB1 TYR 438 1.543 -6.278 -6.960 70 HD1 TYR 438 HD1 TYR 438 2.801 -4.584 -3.948 71 HD2 TYR 438 HD2 TYR 438 3.727 -5.893 -7.887 72 HE1 TYR 438 HE1 TYR 438 5.193 -4.241 -3.495 73 HE2 TYR 438 HE2 TYR 438 6.120 -5.554 -7.446 74 HH TYR 438 HH TYR 438 7.570 -4.353 -5.998 75 H LYS 439 HN LYS 439 0.088 -4.191 -9.134 76 HA LYS 439 HA LYS 439 -2.705 -4.725 -8.480 77 HB2 LYS 439 HB2 LYS 439 -2.063 -2.847 -10.008 78 HB3 LYS 439 HB1 LYS 439 -1.446 -4.036 -11.144 79 HG2 LYS 439 HG2 LYS 439 -3.579 -3.424 -11.916 80 HG3 LYS 439 HG1 LYS 439 -3.760 -5.023 -11.194 81 HD2 LYS 439 HD2 LYS 439 -5.602 -3.843 -10.390 82 HD3 LYS 439 HD1 LYS 439 -4.447 -3.757 -9.063 83 HE2 LYS 439 HE2 LYS 439 -4.772 -1.591 -11.134 84 HE3 LYS 439 HE1 LYS 439 -5.649 -1.610 -9.608 85 HZ1 LYS 439 HZ1 LYS 439 -2.699 -1.423 -9.973 86 HZ2 LYS 439 HZ2 LYS 439 -3.465 -1.608 -8.473 87 HZ3 LYS 439 HZ3 LYS 439 -3.739 -0.215 -9.391 88 H THR 440 HN THR 440 -3.399 -6.773 -8.511 89 HA THR 440 HA THR 440 -1.853 -8.781 -9.935 90 HB THR 440 HB THR 440 -3.191 -10.441 -8.796 91 HG1 THR 440 HG1 THR 440 -5.104 -9.994 -8.012 92 HG21 THR 440 HG21 THR 440 -1.345 -9.477 -7.528 93 HG22 THR 440 HG22 THR 440 -2.685 -9.886 -6.456 94 HG23 THR 440 HG23 THR 440 -2.407 -8.207 -6.920 95 H ALA 441 HN ALA 441 -2.739 -10.221 -11.427 96 HA ALA 441 HA ALA 441 -4.282 -9.070 -13.448 97 HB1 ALA 441 HB1 ALA 441 -4.278 -11.273 -14.479 98 HB2 ALA 441 HB2 ALA 441 -3.775 -12.002 -12.954 99 HB3 ALA 441 HB3 ALA 441 -2.694 -10.899 -13.801 100 H ASP 442 HN ASP 442 -5.266 -10.962 -10.667 101 HA ASP 442 HA ASP 442 -7.903 -11.466 -11.748 102 HB2 ASP 442 HB2 ASP 442 -8.354 -12.694 -9.750 103 HB3 ASP 442 HB1 ASP 442 -6.712 -13.088 -10.244 104 H GLY 443 HN GLY 443 -6.525 -8.758 -10.538 105 HA2 GLY 443 HA2 GLY 443 -7.701 -6.733 -10.392 106 HA3 GLY 443 HA1 GLY 443 -9.179 -7.633 -10.109 107 H LYS 444 HN LYS 444 -6.083 -7.768 -8.372 108 HA LYS 444 HA LYS 444 -7.424 -6.539 -6.055 109 HB2 LYS 444 HB2 LYS 444 -5.508 -8.870 -6.102 110 HB3 LYS 444 HB1 LYS 444 -5.846 -7.948 -4.642 111 HG2 LYS 444 HG2 LYS 444 -8.179 -8.563 -4.753 112 HG3 LYS 444 HG1 LYS 444 -7.905 -9.414 -6.275 113 HD2 LYS 444 HD2 LYS 444 -6.423 -10.983 -5.156 114 HD3 LYS 444 HD1 LYS 444 -6.612 -10.103 -3.637 115 HE2 LYS 444 HE2 LYS 444 -8.016 -12.165 -3.826 116 HE3 LYS 444 HE1 LYS 444 -8.921 -10.688 -3.498 117 HZ1 LYS 444 HZ1 LYS 444 -9.647 -10.585 -5.718 118 HZ2 LYS 444 HZ2 LYS 444 -9.878 -12.194 -5.242 119 HZ3 LYS 444 HZ3 LYS 444 -8.561 -11.777 -6.233 120 H THR 445 HN THR 445 -6.228 -5.084 -4.868 121 HA THR 445 HA THR 445 -3.571 -4.407 -5.955 122 HB THR 445 HB THR 445 -5.640 -2.384 -5.067 123 HG1 THR 445 HG1 THR 445 -6.006 -3.655 -7.121 124 HG21 THR 445 HG21 THR 445 -3.322 -1.645 -4.833 125 HG22 THR 445 HG22 THR 445 -4.131 -0.773 -6.134 126 HG23 THR 445 HG23 THR 445 -3.006 -2.077 -6.512 127 H TYR 446 HN TYR 446 -2.380 -5.251 -4.273 128 HA TYR 446 HA TYR 446 -3.122 -4.411 -1.573 129 HB2 TYR 446 HB2 TYR 446 -1.599 -6.109 -0.735 130 HB3 TYR 446 HB1 TYR 446 -2.736 -6.814 -1.868 131 HD1 TYR 446 HD1 TYR 446 -1.950 -7.533 -4.119 132 HD2 TYR 446 HD2 TYR 446 0.747 -6.148 -1.132 133 HE1 TYR 446 HE1 TYR 446 -0.080 -8.584 -5.324 134 HE2 TYR 446 HE2 TYR 446 2.622 -7.187 -2.334 135 HH TYR 446 HH TYR 446 2.366 -8.337 -5.524 136 H TYR 447 HN TYR 447 -1.991 -3.067 -0.397 137 HA TYR 447 HA TYR 447 0.144 -1.589 -1.714 138 HB2 TYR 447 HB2 TYR 447 -1.677 -1.067 0.613 139 HB3 TYR 447 HB1 TYR 447 -0.222 -0.108 0.398 140 HD1 TYR 447 HD2 TYR 447 -3.550 -0.865 -0.925 141 HD2 TYR 447 HD1 TYR 447 -0.019 1.451 -1.456 142 HE1 TYR 447 HE2 TYR 447 -4.747 0.590 -2.507 143 HE2 TYR 447 HE1 TYR 447 -1.208 2.911 -3.035 144 HH TYR 447 HH TYR 447 -3.185 2.734 -4.567 145 H TYR 448 HN TYR 448 2.178 -2.190 -1.349 146 HA TYR 448 HA TYR 448 2.814 -3.416 1.243 147 HB2 TYR 448 HB2 TYR 448 3.364 -4.730 -0.801 148 HB3 TYR 448 HB1 TYR 448 4.455 -3.440 -1.299 149 HD1 TYR 448 HD1 TYR 448 3.863 -5.198 1.943 150 HD2 TYR 448 HD2 TYR 448 6.655 -4.111 -1.072 151 HE1 TYR 448 HE1 TYR 448 5.659 -6.264 3.237 152 HE2 TYR 448 HE2 TYR 448 8.465 -5.169 0.215 153 HH TYR 448 HH TYR 448 7.823 -7.135 3.012 154 H ASN 449 HN ASN 449 3.749 -2.185 2.698 155 HA ASN 449 HA ASN 449 5.060 0.291 1.862 156 HB2 ASN 449 HB2 ASN 449 3.390 0.419 3.664 157 HB3 ASN 449 HB1 ASN 449 4.332 -0.717 4.624 158 HD21 ASN 449 HD21 ASN 449 4.120 2.536 3.422 159 HD22 ASN 449 HD22 ASN 449 5.351 3.193 4.439 160 H ASN 450 HN ASN 450 7.193 0.334 1.604 161 HA ASN 450 HA ASN 450 8.794 -1.900 2.557 162 HB2 ASN 450 HB2 ASN 450 9.409 0.428 0.735 163 HB3 ASN 450 HB1 ASN 450 10.639 -0.715 1.262 164 HD21 ASN 450 HD21 ASN 450 7.885 -0.202 -0.766 165 HD22 ASN 450 HD22 ASN 450 7.998 -1.683 -1.642 166 H ARG 451 HN ARG 451 7.823 0.922 3.873 167 HA ARG 451 HA ARG 451 10.307 1.752 5.085 168 HB2 ARG 451 HB2 ARG 451 8.616 3.419 4.554 169 HB3 ARG 451 HB1 ARG 451 7.443 2.595 5.568 170 HG2 ARG 451 HG2 ARG 451 8.848 3.093 7.536 171 HG3 ARG 451 HG1 ARG 451 9.937 4.004 6.486 172 HD2 ARG 451 HD2 ARG 451 8.379 5.503 7.603 173 HD3 ARG 451 HD1 ARG 451 8.088 5.487 5.865 174 HE ARG 451 HE ARG 451 6.452 3.839 7.673 175 HH11 ARG 451 HH11 ARG 451 6.730 6.330 5.213 176 HH12 ARG 451 HH12 ARG 451 5.005 6.511 5.043 177 HH21 ARG 451 HH21 ARG 451 4.189 4.062 7.408 178 HH22 ARG 451 HH22 ARG 451 3.561 5.229 6.279 179 H THR 452 HN THR 452 7.405 -0.022 6.051 180 HA THR 452 HA THR 452 8.829 -0.844 8.497 181 HB THR 452 HB THR 452 6.512 -1.298 9.424 182 HG1 THR 452 HG1 THR 452 4.778 -0.481 8.369 183 HG21 THR 452 HG21 THR 452 7.835 0.636 10.118 184 HG22 THR 452 HG22 THR 452 6.122 1.043 10.029 185 HG23 THR 452 HG23 THR 452 7.217 1.558 8.748 186 H LEU 453 HN LEU 453 7.891 -1.873 5.529 187 HA LEU 453 HA LEU 453 7.880 -3.892 4.497 188 HB2 LEU 453 HB2 LEU 453 8.552 -5.034 7.210 189 HB3 LEU 453 HB1 LEU 453 8.666 -5.885 5.682 190 HG LEU 453 HG LEU 453 10.340 -3.526 6.550 191 HD11 LEU 453 HD11 LEU 453 10.952 -5.616 7.634 192 HD12 LEU 453 HD12 LEU 453 12.183 -5.129 6.469 193 HD13 LEU 453 HD13 LEU 453 11.046 -6.416 6.065 194 HD21 LEU 453 HD21 LEU 453 11.560 -3.848 4.455 195 HD22 LEU 453 HD22 LEU 453 9.876 -3.413 4.159 196 HD23 LEU 453 HD23 LEU 453 10.402 -5.087 3.969 197 H GLU 454 HN GLU 454 5.509 -2.727 5.789 198 HA GLU 454 HA GLU 454 3.981 -5.081 6.617 199 HB2 GLU 454 HB2 GLU 454 3.295 -2.141 6.682 200 HB3 GLU 454 HB1 GLU 454 2.227 -3.424 7.230 201 HG2 GLU 454 HG2 GLU 454 3.878 -4.059 8.928 202 HG3 GLU 454 HG1 GLU 454 4.920 -2.744 8.389 203 H SER 455 HN SER 455 2.546 -6.052 5.346 204 HA SER 455 HA SER 455 1.834 -4.814 2.796 205 HB2 SER 455 HB2 SER 455 0.872 -7.211 2.417 206 HB3 SER 455 HB1 SER 455 2.618 -6.976 2.378 207 HG SER 455 HG SER 455 2.730 -8.363 3.934 208 H TYR 456 HN TYR 456 -0.106 -3.940 2.498 209 HA TYR 456 HA TYR 456 -2.273 -4.631 4.378 210 HB2 TYR 456 HB2 TYR 456 -1.436 -1.990 3.217 211 HB3 TYR 456 HB1 TYR 456 -3.088 -2.249 3.760 212 HD1 TYR 456 HD1 TYR 456 -3.603 -2.502 6.104 213 HD2 TYR 456 HD2 TYR 456 0.400 -1.883 4.809 214 HE1 TYR 456 HE1 TYR 456 -2.949 -1.961 8.411 215 HE2 TYR 456 HE2 TYR 456 1.068 -1.337 7.112 216 HH TYR 456 HH TYR 456 0.121 -0.590 9.167 217 H TRP 457 HN TRP 457 -4.033 -5.495 3.474 218 HA TRP 457 HA TRP 457 -4.450 -5.286 0.610 219 HB2 TRP 457 HB2 TRP 457 -6.190 -6.583 2.723 220 HB3 TRP 457 HB1 TRP 457 -6.383 -6.750 0.981 221 HD1 TRP 457 HD1 TRP 457 -4.205 -7.935 3.880 222 HE1 TRP 457 HE1 TRP 457 -2.802 -9.943 3.099 223 HE3 TRP 457 HE3 TRP 457 -5.324 -7.811 -1.107 224 HZ2 TRP 457 HZ2 TRP 457 -2.239 -11.294 0.684 225 HZ3 TRP 457 HZ3 TRP 457 -4.311 -9.496 -2.586 226 HH2 TRP 457 HH2 TRP 457 -2.799 -11.201 -1.705 227 H GLU 458 HN GLU 458 -5.359 -3.698 3.472 228 HA GLU 458 HA GLU 458 -7.601 -2.298 2.245 229 HB2 GLU 458 HB2 GLU 458 -6.387 -2.164 5.014 230 HB3 GLU 458 HB1 GLU 458 -7.746 -1.182 4.487 231 HG2 GLU 458 HG2 GLU 458 -7.692 -4.189 4.639 232 HG3 GLU 458 HG1 GLU 458 -8.489 -3.102 5.777 233 H LYS 459 HN LYS 459 -7.614 -0.041 1.995 234 HA LYS 459 HA LYS 459 -5.136 1.010 1.035 235 HB2 LYS 459 HB2 LYS 459 -7.487 1.437 0.130 236 HB3 LYS 459 HB1 LYS 459 -7.697 2.541 1.481 237 HG2 LYS 459 HG2 LYS 459 -5.770 3.848 0.675 238 HG3 LYS 459 HG1 LYS 459 -5.653 2.768 -0.719 239 HD2 LYS 459 HD2 LYS 459 -8.015 3.366 -1.278 240 HD3 LYS 459 HD1 LYS 459 -7.958 4.573 0.007 241 HE2 LYS 459 HE2 LYS 459 -7.515 5.669 -2.072 242 HE3 LYS 459 HE1 LYS 459 -6.018 5.619 -1.144 243 HZ1 LYS 459 HZ1 LYS 459 -5.727 5.061 -3.510 244 HZ2 LYS 459 HZ2 LYS 459 -6.723 3.702 -3.307 245 HZ3 LYS 459 HZ3 LYS 459 -5.248 3.800 -2.488 246 HA PRO 460 HA PRO 460 -3.814 2.664 4.998 247 HB2 PRO 460 HB2 PRO 460 -1.739 4.133 3.962 248 HB3 PRO 460 HB1 PRO 460 -1.637 2.410 4.334 249 HG2 PRO 460 HG2 PRO 460 -2.115 3.760 1.707 250 HG3 PRO 460 HG1 PRO 460 -1.094 2.357 2.078 251 HD2 PRO 460 HD2 PRO 460 -3.522 2.080 0.960 252 HD3 PRO 460 HD1 PRO 460 -2.896 0.904 2.133 253 H GLN 461 HN GLN 461 -4.529 4.442 6.039 254 HA GLN 461 HA GLN 461 -5.815 6.487 4.446 255 HB2 GLN 461 HB2 GLN 461 -6.828 5.465 6.526 256 HB3 GLN 461 HB1 GLN 461 -5.641 6.371 7.455 257 HG2 GLN 461 HG2 GLN 461 -6.535 8.455 6.672 258 HG3 GLN 461 HG1 GLN 461 -7.629 7.618 5.573 259 HE21 GLN 461 HE21 GLN 461 -8.214 9.502 7.703 260 HE22 GLN 461 HE22 GLN 461 -9.280 8.682 8.783 261 H GLU 462 HN GLU 462 -2.751 6.033 5.697 262 HA GLU 462 HA GLU 462 -2.146 8.810 6.163 263 HB2 GLU 462 HB2 GLU 462 0.193 8.079 6.301 264 HB3 GLU 462 HB1 GLU 462 -0.849 7.097 7.320 265 HG2 GLU 462 HG2 GLU 462 -0.726 5.262 5.863 266 HG3 GLU 462 HG1 GLU 462 -0.049 6.240 4.559 267 H LEU 463 HN LEU 463 -2.789 7.036 3.466 268 HA LEU 463 HA LEU 463 -0.940 8.393 1.691 269 HB2 LEU 463 HB2 LEU 463 -1.573 6.050 1.270 270 HB3 LEU 463 HB1 LEU 463 -3.247 6.536 1.087 271 HG LEU 463 HG LEU 463 -2.599 7.890 -0.896 272 HD11 LEU 463 HD11 LEU 463 -0.400 7.531 -1.903 273 HD12 LEU 463 HD12 LEU 463 0.085 6.567 -0.507 274 HD13 LEU 463 HD13 LEU 463 -0.266 8.285 -0.316 275 HD21 LEU 463 HD21 LEU 463 -1.856 4.969 -1.007 276 HD22 LEU 463 HD22 LEU 463 -2.262 5.983 -2.393 277 HD23 LEU 463 HD23 LEU 463 -3.481 5.637 -1.166 278 H LYS 464 HN LYS 464 -4.222 8.599 2.778 279 HA LYS 464 HA LYS 464 -5.907 10.067 2.467 280 HB2 LYS 464 HB2 LYS 464 -3.556 11.865 1.888 281 HB3 LYS 464 HB1 LYS 464 -5.208 12.450 2.027 282 HG2 LYS 464 HG2 LYS 464 -3.716 10.989 4.202 283 HG3 LYS 464 HG1 LYS 464 -3.894 12.744 4.093 284 HD2 LYS 464 HD2 LYS 464 -6.387 12.362 4.112 285 HD3 LYS 464 HD1 LYS 464 -6.040 10.674 4.503 286 HE2 LYS 464 HE2 LYS 464 -5.296 13.109 6.116 287 HE3 LYS 464 HE1 LYS 464 -6.483 11.878 6.538 288 HZ1 LYS 464 HZ1 LYS 464 -3.560 11.409 6.247 289 HZ2 LYS 464 HZ2 LYS 464 -4.712 10.257 6.713 290 HZ3 LYS 464 HZ3 LYS 464 -4.384 11.583 7.716 Start of MODEL 17 1 H1 GLY 428 HT1 GLY 428 6.178 21.878 -4.086 2 H2 GLY 428 HT2 GLY 428 5.785 21.380 -2.512 3 H3 GLY 428 HT3 GLY 428 4.915 22.637 -3.245 4 HA2 GLY 428 HA1 GLY 428 3.643 20.590 -3.250 5 HA3 GLY 428 HA2 GLY 428 4.022 21.130 -4.880 6 H ALA 429 HN ALA 429 3.794 19.061 -5.716 7 HA ALA 429 HA ALA 429 4.403 16.983 -6.365 8 HB1 ALA 429 HB1 ALA 429 6.468 18.134 -7.009 9 HB2 ALA 429 HB2 ALA 429 6.770 16.471 -6.510 10 HB3 ALA 429 HB3 ALA 429 7.146 17.802 -5.416 11 H THR 430 HN THR 430 3.010 16.495 -4.417 12 HA THR 430 HA THR 430 4.206 15.527 -2.032 13 HB THR 430 HB THR 430 1.523 14.683 -3.134 14 HG1 THR 430 HG1 THR 430 0.838 16.597 -1.784 15 HG21 THR 430 HG21 THR 430 0.915 14.536 -0.765 16 HG22 THR 430 HG22 THR 430 2.535 15.060 -0.310 17 HG23 THR 430 HG23 THR 430 2.306 13.510 -1.120 18 H ALA 431 HN ALA 431 5.628 13.851 -2.123 19 HA ALA 431 HA ALA 431 4.834 11.479 -3.665 20 HB1 ALA 431 HB1 ALA 431 7.637 12.572 -3.432 21 HB2 ALA 431 HB2 ALA 431 6.603 12.697 -4.855 22 HB3 ALA 431 HB3 ALA 431 7.153 11.115 -4.300 23 H VAL 432 HN VAL 432 5.488 9.488 -2.834 24 HA VAL 432 HA VAL 432 6.993 9.359 -0.382 25 HB VAL 432 HB VAL 432 4.805 9.750 0.560 26 HG11 VAL 432 HG11 VAL 432 2.902 8.263 0.149 27 HG12 VAL 432 HG12 VAL 432 3.837 7.410 -1.080 28 HG13 VAL 432 HG13 VAL 432 3.405 9.103 -1.317 29 HG21 VAL 432 HG21 VAL 432 6.223 8.167 1.731 30 HG22 VAL 432 HG22 VAL 432 5.563 6.840 0.777 31 HG23 VAL 432 HG23 VAL 432 4.526 7.716 1.901 32 H SER 433 HN SER 433 8.397 7.780 -0.745 33 HA SER 433 HA SER 433 7.832 5.794 -2.791 34 HB2 SER 433 HB2 SER 433 10.380 6.248 -1.218 35 HB3 SER 433 HB1 SER 433 10.205 5.324 -2.710 36 HG SER 433 HG SER 433 10.598 7.127 -3.690 37 H GLU 434 HN GLU 434 7.110 5.948 0.335 38 HA GLU 434 HA GLU 434 8.173 3.412 1.221 39 HB2 GLU 434 HB2 GLU 434 6.221 5.261 2.597 40 HB3 GLU 434 HB1 GLU 434 7.066 3.904 3.333 41 HG2 GLU 434 HG2 GLU 434 8.342 6.399 2.230 42 HG3 GLU 434 HG1 GLU 434 8.096 6.022 3.934 43 H TRP 435 HN TRP 435 5.436 4.469 -0.464 44 HA TRP 435 HA TRP 435 3.977 2.008 0.239 45 HB2 TRP 435 HB2 TRP 435 2.854 4.664 -0.685 46 HB3 TRP 435 HB1 TRP 435 1.904 3.203 -0.445 47 HD1 TRP 435 HD1 TRP 435 3.270 6.168 1.392 48 HE1 TRP 435 HE1 TRP 435 2.647 6.025 3.894 49 HE3 TRP 435 HE3 TRP 435 1.592 1.344 1.514 50 HZ2 TRP 435 HZ2 TRP 435 1.582 4.102 5.666 51 HZ3 TRP 435 HZ3 TRP 435 0.789 0.430 3.649 52 HH2 TRP 435 HH2 TRP 435 0.785 1.779 5.682 53 H THR 436 HN THR 436 4.010 0.546 -1.328 54 HA THR 436 HA THR 436 3.990 1.482 -4.126 55 HB THR 436 HB THR 436 5.351 -1.022 -3.105 56 HG1 THR 436 HG1 THR 436 6.401 1.538 -3.836 57 HG21 THR 436 HG21 THR 436 5.420 0.324 -5.810 58 HG22 THR 436 HG22 THR 436 4.573 -1.173 -5.425 59 HG23 THR 436 HG23 THR 436 6.333 -1.111 -5.346 60 H GLU 437 HN GLU 437 2.163 0.889 -5.152 61 HA GLU 437 HA GLU 437 0.525 -1.178 -3.925 62 HB2 GLU 437 HB2 GLU 437 -1.141 -0.372 -5.762 63 HB3 GLU 437 HB1 GLU 437 -0.859 0.597 -4.329 64 HG2 GLU 437 HG2 GLU 437 -0.876 2.128 -6.067 65 HG3 GLU 437 HG1 GLU 437 0.838 1.878 -5.742 66 H TYR 438 HN TYR 438 0.375 -3.169 -4.605 67 HA TYR 438 HA TYR 438 1.327 -3.789 -7.311 68 HB2 TYR 438 HB2 TYR 438 1.127 -5.505 -4.835 69 HB3 TYR 438 HB1 TYR 438 1.469 -6.160 -6.433 70 HD1 TYR 438 HD1 TYR 438 3.546 -5.423 -7.631 71 HD2 TYR 438 HD2 TYR 438 2.840 -4.492 -3.539 72 HE1 TYR 438 HE1 TYR 438 5.937 -4.942 -7.335 73 HE2 TYR 438 HE2 TYR 438 5.234 -4.006 -3.232 74 HH TYR 438 HH TYR 438 7.371 -3.600 -5.829 75 H LYS 439 HN LYS 439 -0.130 -4.187 -8.772 76 HA LYS 439 HA LYS 439 -2.817 -5.048 -7.945 77 HB2 LYS 439 HB2 LYS 439 -2.692 -2.822 -9.021 78 HB3 LYS 439 HB1 LYS 439 -1.961 -3.562 -10.438 79 HG2 LYS 439 HG2 LYS 439 -4.254 -3.195 -10.917 80 HG3 LYS 439 HG1 LYS 439 -4.028 -4.931 -10.698 81 HD2 LYS 439 HD2 LYS 439 -6.037 -4.285 -9.563 82 HD3 LYS 439 HD1 LYS 439 -4.818 -4.669 -8.348 83 HE2 LYS 439 HE2 LYS 439 -6.026 -2.658 -7.727 84 HE3 LYS 439 HE1 LYS 439 -4.341 -2.280 -8.083 85 HZ1 LYS 439 HZ1 LYS 439 -6.585 -1.905 -9.995 86 HZ2 LYS 439 HZ2 LYS 439 -4.973 -1.428 -10.218 87 HZ3 LYS 439 HZ3 LYS 439 -5.921 -0.674 -9.035 88 H THR 440 HN THR 440 -3.303 -7.094 -8.437 89 HA THR 440 HA THR 440 -1.739 -8.443 -10.497 90 HB THR 440 HB THR 440 -2.720 -10.522 -9.652 91 HG1 THR 440 HG1 THR 440 -4.453 -10.470 -8.472 92 HG21 THR 440 HG21 THR 440 -1.690 -10.520 -7.424 93 HG22 THR 440 HG22 THR 440 -1.622 -8.758 -7.461 94 HG23 THR 440 HG23 THR 440 -0.671 -9.700 -8.609 95 H ALA 441 HN ALA 441 -2.674 -9.613 -12.176 96 HA ALA 441 HA ALA 441 -4.715 -8.314 -13.571 97 HB1 ALA 441 HB1 ALA 441 -3.669 -11.109 -13.989 98 HB2 ALA 441 HB2 ALA 441 -2.975 -9.631 -14.657 99 HB3 ALA 441 HB3 ALA 441 -4.581 -10.156 -15.159 100 H ASP 442 HN ASP 442 -4.898 -10.960 -11.291 101 HA ASP 442 HA ASP 442 -7.552 -11.747 -12.131 102 HB2 ASP 442 HB2 ASP 442 -7.456 -13.394 -10.363 103 HB3 ASP 442 HB1 ASP 442 -5.937 -13.410 -11.250 104 H GLY 443 HN GLY 443 -6.428 -9.168 -10.427 105 HA2 GLY 443 HA2 GLY 443 -7.846 -7.491 -9.611 106 HA3 GLY 443 HA1 GLY 443 -9.119 -8.683 -9.425 107 H LYS 444 HN LYS 444 -5.809 -8.446 -8.125 108 HA LYS 444 HA LYS 444 -6.993 -8.229 -5.439 109 HB2 LYS 444 HB2 LYS 444 -4.595 -9.839 -6.315 110 HB3 LYS 444 HB1 LYS 444 -4.874 -9.399 -4.634 111 HG2 LYS 444 HG2 LYS 444 -6.946 -10.625 -4.610 112 HG3 LYS 444 HG1 LYS 444 -6.794 -10.979 -6.334 113 HD2 LYS 444 HD2 LYS 444 -4.790 -12.280 -5.915 114 HD3 LYS 444 HD1 LYS 444 -4.861 -11.877 -4.198 115 HE2 LYS 444 HE2 LYS 444 -5.739 -14.144 -4.753 116 HE3 LYS 444 HE1 LYS 444 -6.894 -13.104 -3.926 117 HZ1 LYS 444 HZ1 LYS 444 -7.786 -14.382 -5.862 118 HZ2 LYS 444 HZ2 LYS 444 -6.831 -13.416 -6.877 119 HZ3 LYS 444 HZ3 LYS 444 -8.049 -12.714 -5.926 120 H THR 445 HN THR 445 -6.318 -6.544 -4.279 121 HA THR 445 HA THR 445 -4.030 -4.997 -5.328 122 HB THR 445 HB THR 445 -6.489 -3.807 -4.037 123 HG1 THR 445 HG1 THR 445 -6.978 -4.836 -6.065 124 HG21 THR 445 HG21 THR 445 -4.482 -2.419 -3.930 125 HG22 THR 445 HG22 THR 445 -5.657 -1.724 -5.045 126 HG23 THR 445 HG23 THR 445 -4.255 -2.593 -5.671 127 H TYR 446 HN TYR 446 -2.422 -5.076 -3.880 128 HA TYR 446 HA TYR 446 -3.120 -4.534 -1.090 129 HB2 TYR 446 HB2 TYR 446 -1.315 -6.096 -0.348 130 HB3 TYR 446 HB1 TYR 446 -2.706 -6.881 -1.075 131 HD1 TYR 446 HD1 TYR 446 -2.499 -7.670 -3.498 132 HD2 TYR 446 HD2 TYR 446 0.847 -6.494 -1.147 133 HE1 TYR 446 HE1 TYR 446 -1.010 -8.923 -5.001 134 HE2 TYR 446 HE2 TYR 446 2.346 -7.740 -2.646 135 HH TYR 446 HH TYR 446 2.095 -9.758 -4.219 136 H TYR 447 HN TYR 447 -2.039 -2.974 -0.200 137 HA TYR 447 HA TYR 447 -0.004 -1.624 -1.772 138 HB2 TYR 447 HB2 TYR 447 -1.507 -0.781 0.715 139 HB3 TYR 447 HB1 TYR 447 -0.363 0.232 -0.166 140 HD1 TYR 447 HD1 TYR 447 -0.956 1.187 -2.323 141 HD2 TYR 447 HD2 TYR 447 -3.706 -1.276 -0.210 142 HE1 TYR 447 HE1 TYR 447 -2.762 1.940 -3.810 143 HE2 TYR 447 HE2 TYR 447 -5.519 -0.529 -1.693 144 HH TYR 447 HH TYR 447 -4.945 1.187 -4.589 145 H TYR 448 HN TYR 448 2.026 -2.006 -1.434 146 HA TYR 448 HA TYR 448 2.877 -3.423 0.955 147 HB2 TYR 448 HB2 TYR 448 3.507 -4.222 -1.294 148 HB3 TYR 448 HB1 TYR 448 4.352 -2.712 -1.592 149 HD1 TYR 448 HD1 TYR 448 4.376 -5.785 0.483 150 HD2 TYR 448 HD2 TYR 448 6.583 -2.418 -0.892 151 HE1 TYR 448 HE1 TYR 448 6.446 -6.792 1.349 152 HE2 TYR 448 HE2 TYR 448 8.655 -3.415 -0.027 153 HH TYR 448 HH TYR 448 8.889 -6.650 0.900 154 H ASN 449 HN ASN 449 3.626 -2.346 2.645 155 HA ASN 449 HA ASN 449 4.733 0.335 2.343 156 HB2 ASN 449 HB2 ASN 449 3.184 -0.101 4.212 157 HB3 ASN 449 HB1 ASN 449 4.269 -1.346 4.822 158 HD21 ASN 449 HD21 ASN 449 3.693 2.049 4.510 159 HD22 ASN 449 HD22 ASN 449 4.938 2.565 5.596 160 H ASN 450 HN ASN 450 6.807 0.590 1.951 161 HA ASN 450 HA ASN 450 8.561 -1.684 1.943 162 HB2 ASN 450 HB2 ASN 450 9.033 1.218 1.234 163 HB3 ASN 450 HB1 ASN 450 10.231 -0.054 1.032 164 HD21 ASN 450 HD21 ASN 450 7.248 1.286 -0.126 165 HD22 ASN 450 HD22 ASN 450 7.179 0.384 -1.600 166 H ARG 451 HN ARG 451 7.792 0.612 4.282 167 HA ARG 451 HA ARG 451 10.453 0.834 5.400 168 HB2 ARG 451 HB2 ARG 451 8.638 2.645 5.446 169 HB3 ARG 451 HB1 ARG 451 7.889 1.702 6.726 170 HG2 ARG 451 HG2 ARG 451 9.169 3.420 7.742 171 HG3 ARG 451 HG1 ARG 451 10.019 1.900 8.012 172 HD2 ARG 451 HD2 ARG 451 10.691 3.693 5.698 173 HD3 ARG 451 HD1 ARG 451 11.390 3.957 7.294 174 HE ARG 451 HE ARG 451 12.382 1.730 7.115 175 HH11 ARG 451 HH11 ARG 451 11.132 3.141 4.142 176 HH12 ARG 451 HH12 ARG 451 12.266 2.288 3.131 177 HH21 ARG 451 HH21 ARG 451 13.868 0.624 5.759 178 HH22 ARG 451 HH22 ARG 451 13.807 0.875 4.036 179 H THR 452 HN THR 452 7.449 -0.850 6.102 180 HA THR 452 HA THR 452 8.774 -2.246 8.327 181 HB THR 452 HB THR 452 6.417 -2.859 9.007 182 HG1 THR 452 HG1 THR 452 5.618 -0.713 7.333 183 HG21 THR 452 HG21 THR 452 7.651 -1.083 10.145 184 HG22 THR 452 HG22 THR 452 5.943 -0.664 10.010 185 HG23 THR 452 HG23 THR 452 7.121 0.082 8.929 186 H LEU 453 HN LEU 453 7.938 -2.618 5.154 187 HA LEU 453 HA LEU 453 7.892 -4.370 3.710 188 HB2 LEU 453 HB2 LEU 453 8.618 -6.074 6.100 189 HB3 LEU 453 HB1 LEU 453 8.737 -6.547 4.416 190 HG LEU 453 HG LEU 453 10.380 -4.418 5.788 191 HD11 LEU 453 HD11 LEU 453 11.124 -7.123 4.686 192 HD12 LEU 453 HD12 LEU 453 11.012 -6.691 6.393 193 HD13 LEU 453 HD13 LEU 453 12.240 -5.941 5.373 194 HD21 LEU 453 HD21 LEU 453 10.440 -5.387 2.934 195 HD22 LEU 453 HD22 LEU 453 11.608 -4.288 3.670 196 HD23 LEU 453 HD23 LEU 453 9.926 -3.791 3.485 197 H GLU 454 HN GLU 454 5.577 -3.536 5.361 198 HA GLU 454 HA GLU 454 4.103 -6.058 5.690 199 HB2 GLU 454 HB2 GLU 454 3.580 -3.295 6.799 200 HB3 GLU 454 HB1 GLU 454 2.501 -4.666 7.021 201 HG2 GLU 454 HG2 GLU 454 5.374 -4.624 7.907 202 HG3 GLU 454 HG1 GLU 454 4.011 -4.203 8.941 203 H SER 455 HN SER 455 2.241 -6.486 4.625 204 HA SER 455 HA SER 455 1.590 -4.664 2.414 205 HB2 SER 455 HB2 SER 455 0.791 -7.560 2.791 206 HB3 SER 455 HB1 SER 455 0.599 -6.593 1.327 207 HG SER 455 HG SER 455 3.164 -6.609 2.266 208 H TYR 456 HN TYR 456 -0.066 -3.353 2.752 209 HA TYR 456 HA TYR 456 -2.257 -4.185 4.522 210 HB2 TYR 456 HB2 TYR 456 -1.494 -1.484 3.393 211 HB3 TYR 456 HB1 TYR 456 -2.948 -1.770 4.337 212 HD1 TYR 456 HD1 TYR 456 -2.822 -2.181 6.719 213 HD2 TYR 456 HD2 TYR 456 0.687 -1.440 4.444 214 HE1 TYR 456 HE1 TYR 456 -1.580 -1.745 8.796 215 HE2 TYR 456 HE2 TYR 456 1.944 -0.997 6.510 216 HH TYR 456 HH TYR 456 0.757 -1.782 9.590 217 H TRP 457 HN TRP 457 -4.031 -5.015 3.559 218 HA TRP 457 HA TRP 457 -4.428 -4.745 0.728 219 HB2 TRP 457 HB2 TRP 457 -6.188 -5.977 2.859 220 HB3 TRP 457 HB1 TRP 457 -6.490 -6.077 1.126 221 HD1 TRP 457 HD1 TRP 457 -4.083 -7.378 3.817 222 HE1 TRP 457 HE1 TRP 457 -2.855 -9.445 2.898 223 HE3 TRP 457 HE3 TRP 457 -5.764 -7.229 -1.011 224 HZ2 TRP 457 HZ2 TRP 457 -2.634 -10.826 0.445 225 HZ3 TRP 457 HZ3 TRP 457 -4.993 -8.961 -2.579 226 HH2 TRP 457 HH2 TRP 457 -3.461 -10.720 -1.864 227 H GLU 458 HN GLU 458 -5.155 -2.885 3.390 228 HA GLU 458 HA GLU 458 -7.273 -1.425 1.962 229 HB2 GLU 458 HB2 GLU 458 -6.511 -0.959 4.840 230 HB3 GLU 458 HB1 GLU 458 -8.022 -0.578 4.031 231 HG2 GLU 458 HG2 GLU 458 -8.676 -2.369 5.265 232 HG3 GLU 458 HG1 GLU 458 -8.172 -3.191 3.788 233 H LYS 459 HN LYS 459 -6.842 0.631 1.269 234 HA LYS 459 HA LYS 459 -4.089 1.472 1.368 235 HB2 LYS 459 HB2 LYS 459 -4.735 3.301 -0.085 236 HB3 LYS 459 HB1 LYS 459 -5.414 1.797 -0.685 237 HG2 LYS 459 HG2 LYS 459 -7.570 2.418 -0.191 238 HG3 LYS 459 HG1 LYS 459 -7.071 3.548 1.068 239 HD2 LYS 459 HD2 LYS 459 -7.875 4.793 -0.834 240 HD3 LYS 459 HD1 LYS 459 -6.133 5.026 -0.686 241 HE2 LYS 459 HE2 LYS 459 -6.621 4.704 -2.996 242 HE3 LYS 459 HE1 LYS 459 -5.835 3.238 -2.410 243 HZ1 LYS 459 HZ1 LYS 459 -7.986 2.168 -2.259 244 HZ2 LYS 459 HZ2 LYS 459 -7.749 2.764 -3.829 245 HZ3 LYS 459 HZ3 LYS 459 -8.766 3.591 -2.753 246 HA PRO 460 HA PRO 460 -4.544 4.102 4.949 247 HB2 PRO 460 HB2 PRO 460 -2.132 5.323 4.729 248 HB3 PRO 460 HB1 PRO 460 -2.310 3.672 5.339 249 HG2 PRO 460 HG2 PRO 460 -1.550 4.607 2.591 250 HG3 PRO 460 HG1 PRO 460 -0.823 3.321 3.576 251 HD2 PRO 460 HD2 PRO 460 -2.572 2.794 1.593 252 HD3 PRO 460 HD1 PRO 460 -2.495 1.814 3.073 253 H GLN 461 HN GLN 461 -5.141 6.223 5.284 254 HA GLN 461 HA GLN 461 -5.818 7.802 3.002 255 HB2 GLN 461 HB2 GLN 461 -6.993 7.752 5.281 256 HB3 GLN 461 HB1 GLN 461 -5.705 8.806 5.845 257 HG2 GLN 461 HG2 GLN 461 -7.569 10.162 5.271 258 HG3 GLN 461 HG1 GLN 461 -6.320 10.417 4.055 259 HE21 GLN 461 HE21 GLN 461 -8.364 7.584 4.206 260 HE22 GLN 461 HE22 GLN 461 -9.252 7.905 2.757 261 H GLU 462 HN GLU 462 -2.962 7.314 4.636 262 HA GLU 462 HA GLU 462 -1.720 9.857 4.270 263 HB2 GLU 462 HB2 GLU 462 -0.927 8.175 5.898 264 HB3 GLU 462 HB1 GLU 462 -0.503 7.101 4.573 265 HG2 GLU 462 HG2 GLU 462 1.126 8.769 3.783 266 HG3 GLU 462 HG1 GLU 462 0.733 9.775 5.178 267 H LEU 463 HN LEU 463 -2.502 7.213 2.245 268 HA LEU 463 HA LEU 463 -0.636 8.086 0.162 269 HB2 LEU 463 HB2 LEU 463 -0.638 5.701 0.677 270 HB3 LEU 463 HB1 LEU 463 -2.359 5.615 0.366 271 HG LEU 463 HG LEU 463 -1.957 6.146 -2.003 272 HD11 LEU 463 HD11 LEU 463 0.081 7.462 -1.762 273 HD12 LEU 463 HD12 LEU 463 0.334 6.123 -2.880 274 HD13 LEU 463 HD13 LEU 463 0.959 6.028 -1.233 275 HD21 LEU 463 HD21 LEU 463 -0.900 4.017 -2.604 276 HD22 LEU 463 HD22 LEU 463 -2.071 3.823 -1.299 277 HD23 LEU 463 HD23 LEU 463 -0.343 3.832 -0.942 278 H LYS 464 HN LYS 464 -4.054 7.359 0.711 279 HA LYS 464 HA LYS 464 -5.973 8.187 -0.151 280 HB2 LYS 464 HB2 LYS 464 -4.825 10.355 0.455 281 HB3 LYS 464 HB1 LYS 464 -4.319 10.470 -1.225 282 HG2 LYS 464 HG2 LYS 464 -6.843 10.216 -1.746 283 HG3 LYS 464 HG1 LYS 464 -7.061 10.688 -0.061 284 HD2 LYS 464 HD2 LYS 464 -7.119 12.744 -1.060 285 HD3 LYS 464 HD1 LYS 464 -5.389 12.612 -0.740 286 HE2 LYS 464 HE2 LYS 464 -6.785 11.998 -3.344 287 HE3 LYS 464 HE1 LYS 464 -5.793 13.410 -3.002 288 HZ1 LYS 464 HZ1 LYS 464 -4.574 11.748 -4.252 289 HZ2 LYS 464 HZ2 LYS 464 -4.836 10.590 -3.042 290 HZ3 LYS 464 HZ3 LYS 464 -3.878 11.957 -2.722 Start of MODEL 18 1 H1 GLY 428 HT1 GLY 428 11.518 17.027 4.530 2 H2 GLY 428 HT2 GLY 428 11.433 18.611 5.131 3 H3 GLY 428 HT3 GLY 428 10.207 18.016 4.123 4 HA2 GLY 428 HA1 GLY 428 9.572 18.088 6.496 5 HA3 GLY 428 HA2 GLY 428 9.462 16.491 5.767 6 H ALA 429 HN ALA 429 9.547 16.164 8.276 7 HA ALA 429 HA ALA 429 12.287 16.085 9.271 8 HB1 ALA 429 HB1 ALA 429 10.489 16.750 10.803 9 HB2 ALA 429 HB2 ALA 429 11.297 15.283 11.354 10 HB3 ALA 429 HB3 ALA 429 9.719 15.179 10.578 11 H THR 430 HN THR 430 9.623 13.832 8.625 12 HA THR 430 HA THR 430 11.610 11.689 8.288 13 HB THR 430 HB THR 430 9.497 10.204 8.344 14 HG1 THR 430 HG1 THR 430 8.239 12.002 10.002 15 HG21 THR 430 HG21 THR 430 10.380 11.668 10.839 16 HG22 THR 430 HG22 THR 430 11.170 10.256 10.135 17 HG23 THR 430 HG23 THR 430 9.541 10.118 10.797 18 H ALA 431 HN ALA 431 8.353 12.240 7.008 19 HA ALA 431 HA ALA 431 7.479 12.283 4.920 20 HB1 ALA 431 HB1 ALA 431 10.280 12.897 3.990 21 HB2 ALA 431 HB2 ALA 431 9.087 14.087 4.506 22 HB3 ALA 431 HB3 ALA 431 8.796 13.119 3.062 23 H VAL 432 HN VAL 432 6.737 10.387 4.277 24 HA VAL 432 HA VAL 432 8.591 8.524 3.011 25 HB VAL 432 HB VAL 432 8.495 7.654 5.244 26 HG11 VAL 432 HG11 VAL 432 5.491 7.711 4.994 27 HG12 VAL 432 HG12 VAL 432 6.474 8.739 6.039 28 HG13 VAL 432 HG13 VAL 432 6.398 7.000 6.333 29 HG21 VAL 432 HG21 VAL 432 6.705 6.043 3.430 30 HG22 VAL 432 HG22 VAL 432 7.551 5.428 4.850 31 HG23 VAL 432 HG23 VAL 432 8.470 6.006 3.459 32 H SER 433 HN SER 433 7.806 8.595 1.015 33 HA SER 433 HA SER 433 4.925 8.190 0.614 34 HB2 SER 433 HB2 SER 433 5.499 8.916 -1.764 35 HB3 SER 433 HB1 SER 433 5.664 10.155 -0.519 36 HG SER 433 HG SER 433 7.606 8.881 -2.047 37 H GLU 434 HN GLU 434 7.394 6.326 1.108 38 HA GLU 434 HA GLU 434 7.578 4.768 -1.276 39 HB2 GLU 434 HB2 GLU 434 8.544 4.136 1.516 40 HB3 GLU 434 HB1 GLU 434 8.958 3.235 0.064 41 HG2 GLU 434 HG2 GLU 434 9.972 5.307 -0.857 42 HG3 GLU 434 HG1 GLU 434 9.680 6.084 0.698 43 H TRP 435 HN TRP 435 5.435 4.250 -1.685 44 HA TRP 435 HA TRP 435 4.561 1.851 -0.230 45 HB2 TRP 435 HB2 TRP 435 2.880 4.146 -1.239 46 HB3 TRP 435 HB1 TRP 435 2.194 2.550 -0.959 47 HD1 TRP 435 HD1 TRP 435 3.669 5.545 0.937 48 HE1 TRP 435 HE1 TRP 435 2.946 5.372 3.408 49 HE3 TRP 435 HE3 TRP 435 1.498 0.923 0.825 50 HZ2 TRP 435 HZ2 TRP 435 1.627 3.520 5.075 51 HZ3 TRP 435 HZ3 TRP 435 0.526 0.024 2.895 52 HH2 TRP 435 HH2 TRP 435 0.591 1.295 4.976 53 H THR 436 HN THR 436 4.798 0.176 -1.549 54 HA THR 436 HA THR 436 4.656 0.659 -4.447 55 HB THR 436 HB THR 436 5.868 -1.726 -3.038 56 HG1 THR 436 HG1 THR 436 6.805 0.561 -2.760 57 HG21 THR 436 HG21 THR 436 7.012 -2.069 -5.182 58 HG22 THR 436 HG22 THR 436 6.169 -0.675 -5.857 59 HG23 THR 436 HG23 THR 436 5.258 -2.109 -5.382 60 H GLU 437 HN GLU 437 2.804 0.101 -5.369 61 HA GLU 437 HA GLU 437 1.066 -1.827 -4.021 62 HB2 GLU 437 HB2 GLU 437 -0.698 -0.993 -5.450 63 HB3 GLU 437 HB1 GLU 437 0.128 0.357 -4.697 64 HG2 GLU 437 HG2 GLU 437 1.324 0.803 -6.749 65 HG3 GLU 437 HG1 GLU 437 0.590 -0.609 -7.508 66 H TYR 438 HN TYR 438 0.666 -3.808 -4.760 67 HA TYR 438 HA TYR 438 1.723 -4.493 -7.416 68 HB2 TYR 438 HB2 TYR 438 1.454 -6.166 -4.922 69 HB3 TYR 438 HB1 TYR 438 1.742 -6.872 -6.512 70 HD1 TYR 438 HD1 TYR 438 3.820 -6.276 -7.753 71 HD2 TYR 438 HD2 TYR 438 3.222 -5.151 -3.696 72 HE1 TYR 438 HE1 TYR 438 6.227 -5.834 -7.532 73 HE2 TYR 438 HE2 TYR 438 5.631 -4.705 -3.461 74 HH TYR 438 HH TYR 438 7.711 -4.445 -6.122 75 H LYS 439 HN LYS 439 0.418 -5.223 -8.912 76 HA LYS 439 HA LYS 439 -2.440 -5.386 -8.231 77 HB2 LYS 439 HB2 LYS 439 -1.873 -3.572 -9.750 78 HB3 LYS 439 HB1 LYS 439 -1.033 -4.685 -10.818 79 HG2 LYS 439 HG2 LYS 439 -3.098 -4.236 -11.839 80 HG3 LYS 439 HG1 LYS 439 -3.244 -5.851 -11.153 81 HD2 LYS 439 HD2 LYS 439 -5.268 -4.773 -10.635 82 HD3 LYS 439 HD1 LYS 439 -4.331 -4.723 -9.142 83 HE2 LYS 439 HE2 LYS 439 -4.342 -2.451 -11.111 84 HE3 LYS 439 HE1 LYS 439 -5.552 -2.592 -9.839 85 HZ1 LYS 439 HZ1 LYS 439 -2.621 -2.452 -9.389 86 HZ2 LYS 439 HZ2 LYS 439 -3.819 -2.504 -8.191 87 HZ3 LYS 439 HZ3 LYS 439 -3.695 -1.156 -9.210 88 H THR 440 HN THR 440 -3.353 -7.335 -8.321 89 HA THR 440 HA THR 440 -2.043 -9.496 -9.770 90 HB THR 440 HB THR 440 -3.644 -10.980 -8.744 91 HG1 THR 440 HG1 THR 440 -5.531 -10.314 -8.058 92 HG21 THR 440 HG21 THR 440 -2.735 -8.904 -6.744 93 HG22 THR 440 HG22 THR 440 -1.790 -10.278 -7.316 94 HG23 THR 440 HG23 THR 440 -3.246 -10.547 -6.358 95 H ALA 441 HN ALA 441 -3.107 -10.696 -11.413 96 HA ALA 441 HA ALA 441 -4.298 -9.179 -13.402 97 HB1 ALA 441 HB1 ALA 441 -4.722 -11.269 -14.550 98 HB2 ALA 441 HB2 ALA 441 -4.470 -12.163 -13.051 99 HB3 ALA 441 HB3 ALA 441 -3.129 -11.292 -13.794 100 H ASP 442 HN ASP 442 -5.825 -10.932 -10.776 101 HA ASP 442 HA ASP 442 -8.462 -10.732 -11.935 102 HB2 ASP 442 HB2 ASP 442 -9.263 -11.775 -9.905 103 HB3 ASP 442 HB1 ASP 442 -7.826 -12.624 -10.461 104 H GLY 443 HN GLY 443 -6.477 -8.517 -10.509 105 HA2 GLY 443 HA2 GLY 443 -7.058 -6.258 -10.284 106 HA3 GLY 443 HA1 GLY 443 -8.745 -6.723 -10.160 107 H LYS 444 HN LYS 444 -6.151 -8.090 -8.193 108 HA LYS 444 HA LYS 444 -7.258 -6.672 -5.866 109 HB2 LYS 444 HB2 LYS 444 -5.602 -9.179 -6.113 110 HB3 LYS 444 HB1 LYS 444 -5.774 -8.331 -4.583 111 HG2 LYS 444 HG2 LYS 444 -8.147 -8.682 -4.590 112 HG3 LYS 444 HG1 LYS 444 -8.075 -9.379 -6.210 113 HD2 LYS 444 HD2 LYS 444 -6.766 -11.244 -5.386 114 HD3 LYS 444 HD1 LYS 444 -6.712 -10.526 -3.775 115 HE2 LYS 444 HE2 LYS 444 -8.399 -12.352 -4.050 116 HE3 LYS 444 HE1 LYS 444 -9.055 -10.817 -3.482 117 HZ1 LYS 444 HZ1 LYS 444 -9.903 -10.345 -5.634 118 HZ2 LYS 444 HZ2 LYS 444 -10.389 -11.919 -5.247 119 HZ3 LYS 444 HZ3 LYS 444 -9.103 -11.669 -6.328 120 H THR 445 HN THR 445 -6.088 -5.159 -4.851 121 HA THR 445 HA THR 445 -3.288 -4.823 -5.688 122 HB THR 445 HB THR 445 -5.188 -2.569 -5.029 123 HG1 THR 445 HG1 THR 445 -5.821 -2.613 -7.037 124 HG21 THR 445 HG21 THR 445 -2.462 -2.610 -6.319 125 HG22 THR 445 HG22 THR 445 -2.829 -2.066 -4.681 126 HG23 THR 445 HG23 THR 445 -3.461 -1.177 -6.066 127 H TYR 446 HN TYR 446 -2.134 -5.435 -3.930 128 HA TYR 446 HA TYR 446 -2.971 -4.334 -1.345 129 HB2 TYR 446 HB2 TYR 446 -1.466 -5.948 -0.291 130 HB3 TYR 446 HB1 TYR 446 -2.648 -6.753 -1.308 131 HD1 TYR 446 HD1 TYR 446 -1.907 -7.699 -3.517 132 HD2 TYR 446 HD2 TYR 446 0.851 -6.199 -0.645 133 HE1 TYR 446 HE1 TYR 446 -0.095 -8.965 -4.602 134 HE2 TYR 446 HE2 TYR 446 2.666 -7.451 -1.725 135 HH TYR 446 HH TYR 446 2.409 -8.840 -4.773 136 H TYR 447 HN TYR 447 -1.853 -2.812 -0.380 137 HA TYR 447 HA TYR 447 0.337 -1.607 -1.885 138 HB2 TYR 447 HB2 TYR 447 -0.954 -0.504 0.608 139 HB3 TYR 447 HB1 TYR 447 -0.076 0.373 -0.638 140 HD1 TYR 447 HD1 TYR 447 -1.134 0.558 -2.948 141 HD2 TYR 447 HD2 TYR 447 -3.280 -0.754 0.484 142 HE1 TYR 447 HE1 TYR 447 -3.252 1.061 -4.087 143 HE2 TYR 447 HE2 TYR 447 -5.405 -0.255 -0.647 144 HH TYR 447 HH TYR 447 -5.592 0.406 -3.986 145 H TYR 448 HN TYR 448 2.359 -2.109 -1.379 146 HA TYR 448 HA TYR 448 2.906 -3.220 1.276 147 HB2 TYR 448 HB2 TYR 448 3.575 -4.321 -1.005 148 HB3 TYR 448 HB1 TYR 448 4.894 -3.156 -0.972 149 HD1 TYR 448 HD1 TYR 448 3.484 -6.146 0.586 150 HD2 TYR 448 HD2 TYR 448 6.687 -3.349 0.672 151 HE1 TYR 448 HE1 TYR 448 4.766 -7.669 2.027 152 HE2 TYR 448 HE2 TYR 448 7.980 -4.867 2.112 153 HH TYR 448 HH TYR 448 7.472 -6.736 3.743 154 H ASN 449 HN ASN 449 3.731 -1.942 2.765 155 HA ASN 449 HA ASN 449 5.030 0.561 2.007 156 HB2 ASN 449 HB2 ASN 449 3.412 0.672 3.827 157 HB3 ASN 449 HB1 ASN 449 4.282 -0.573 4.716 158 HD21 ASN 449 HD21 ASN 449 4.238 2.758 3.745 159 HD22 ASN 449 HD22 ASN 449 5.483 3.294 4.816 160 H ASN 450 HN ASN 450 7.145 0.558 1.635 161 HA ASN 450 HA ASN 450 8.701 -1.772 2.243 162 HB2 ASN 450 HB2 ASN 450 9.483 0.836 0.930 163 HB3 ASN 450 HB1 ASN 450 10.538 -0.568 1.065 164 HD21 ASN 450 HD21 ASN 450 9.546 0.781 -1.316 165 HD22 ASN 450 HD22 ASN 450 8.684 -0.422 -2.221 166 H ARG 451 HN ARG 451 7.997 0.944 4.037 167 HA ARG 451 HA ARG 451 10.549 1.222 5.339 168 HB2 ARG 451 HB2 ARG 451 9.115 3.152 5.272 169 HB3 ARG 451 HB1 ARG 451 7.797 2.262 6.020 170 HG2 ARG 451 HG2 ARG 451 9.245 2.022 8.059 171 HG3 ARG 451 HG1 ARG 451 10.376 3.143 7.295 172 HD2 ARG 451 HD2 ARG 451 8.851 4.276 8.853 173 HD3 ARG 451 HD1 ARG 451 8.662 4.851 7.196 174 HE ARG 451 HE ARG 451 6.838 2.741 7.801 175 HH11 ARG 451 HH11 ARG 451 7.386 6.144 8.353 176 HH12 ARG 451 HH12 ARG 451 5.697 6.552 8.398 177 HH21 ARG 451 HH21 ARG 451 4.608 3.262 7.852 178 HH22 ARG 451 HH22 ARG 451 4.109 4.910 8.076 179 H THR 452 HN THR 452 7.370 -0.064 6.304 180 HA THR 452 HA THR 452 8.655 -1.380 8.590 181 HB THR 452 HB THR 452 5.687 -1.128 8.099 182 HG1 THR 452 HG1 THR 452 6.917 0.623 9.878 183 HG21 THR 452 HG21 THR 452 5.522 -1.400 10.506 184 HG22 THR 452 HG22 THR 452 7.279 -1.423 10.650 185 HG23 THR 452 HG23 THR 452 6.449 -2.741 9.824 186 H LEU 453 HN LEU 453 7.739 -2.075 5.473 187 HA LEU 453 HA LEU 453 7.592 -3.992 4.266 188 HB2 LEU 453 HB2 LEU 453 8.312 -5.347 6.871 189 HB3 LEU 453 HB1 LEU 453 8.280 -6.129 5.302 190 HG LEU 453 HG LEU 453 10.134 -3.883 6.111 191 HD11 LEU 453 HD11 LEU 453 10.680 -5.994 7.195 192 HD12 LEU 453 HD12 LEU 453 11.880 -5.583 5.971 193 HD13 LEU 453 HD13 LEU 453 10.662 -6.811 5.632 194 HD21 LEU 453 HD21 LEU 453 11.237 -4.317 3.965 195 HD22 LEU 453 HD22 LEU 453 9.575 -3.768 3.748 196 HD23 LEU 453 HD23 LEU 453 9.971 -5.475 3.555 197 H GLU 454 HN GLU 454 5.324 -2.817 5.580 198 HA GLU 454 HA GLU 454 3.658 -5.075 6.395 199 HB2 GLU 454 HB2 GLU 454 3.256 -2.091 6.487 200 HB3 GLU 454 HB1 GLU 454 1.970 -3.230 6.857 201 HG2 GLU 454 HG2 GLU 454 4.600 -3.010 8.297 202 HG3 GLU 454 HG1 GLU 454 3.048 -2.402 8.872 203 H SER 455 HN SER 455 1.986 -5.854 5.262 204 HA SER 455 HA SER 455 1.525 -4.737 2.580 205 HB2 SER 455 HB2 SER 455 2.240 -7.091 2.634 206 HB3 SER 455 HB1 SER 455 0.887 -7.486 3.693 207 HG SER 455 HG SER 455 -0.214 -7.765 1.945 208 H TYR 456 HN TYR 456 -0.222 -3.499 2.399 209 HA TYR 456 HA TYR 456 -2.478 -3.961 4.229 210 HB2 TYR 456 HB2 TYR 456 -1.468 -1.492 2.836 211 HB3 TYR 456 HB1 TYR 456 -3.112 -1.581 3.457 212 HD1 TYR 456 HD2 TYR 456 0.436 -1.400 4.353 213 HD2 TYR 456 HD1 TYR 456 -3.541 -1.609 5.842 214 HE1 TYR 456 HE2 TYR 456 1.240 -0.724 6.578 215 HE2 TYR 456 HE1 TYR 456 -2.750 -0.936 8.069 216 HH TYR 456 HH TYR 456 -0.721 -0.927 9.379 217 H TRP 457 HN TRP 457 -4.119 -5.024 3.363 218 HA TRP 457 HA TRP 457 -4.568 -5.032 0.503 219 HB2 TRP 457 HB2 TRP 457 -5.969 -6.408 2.798 220 HB3 TRP 457 HB1 TRP 457 -6.498 -6.553 1.125 221 HD1 TRP 457 HD1 TRP 457 -3.706 -7.654 3.488 222 HE1 TRP 457 HE1 TRP 457 -2.370 -9.555 2.369 223 HE3 TRP 457 HE3 TRP 457 -5.834 -7.497 -1.160 224 HZ2 TRP 457 HZ2 TRP 457 -2.249 -10.815 -0.160 225 HZ3 TRP 457 HZ3 TRP 457 -5.053 -9.084 -2.868 226 HH2 TRP 457 HH2 TRP 457 -3.297 -10.708 -2.378 227 H GLU 458 HN GLU 458 -5.197 -2.860 2.761 228 HA GLU 458 HA GLU 458 -7.347 -1.681 1.221 229 HB2 GLU 458 HB2 GLU 458 -8.577 -1.100 3.373 230 HB3 GLU 458 HB1 GLU 458 -8.717 -2.759 2.815 231 HG2 GLU 458 HG2 GLU 458 -6.857 -3.318 4.437 232 HG3 GLU 458 HG1 GLU 458 -7.090 -1.702 5.106 233 H LYS 459 HN LYS 459 -7.476 0.564 1.465 234 HA LYS 459 HA LYS 459 -4.863 1.639 1.657 235 HB2 LYS 459 HB2 LYS 459 -6.311 2.461 -0.039 236 HB3 LYS 459 HB1 LYS 459 -7.542 2.906 1.135 237 HG2 LYS 459 HG2 LYS 459 -6.281 4.723 1.926 238 HG3 LYS 459 HG1 LYS 459 -4.814 4.151 1.130 239 HD2 LYS 459 HD2 LYS 459 -7.303 5.073 -0.303 240 HD3 LYS 459 HD1 LYS 459 -5.868 6.067 -0.034 241 HE2 LYS 459 HE2 LYS 459 -4.533 4.356 -1.244 242 HE3 LYS 459 HE1 LYS 459 -6.034 3.509 -1.618 243 HZ1 LYS 459 HZ1 LYS 459 -5.439 6.315 -2.390 244 HZ2 LYS 459 HZ2 LYS 459 -6.796 5.394 -2.858 245 HZ3 LYS 459 HZ3 LYS 459 -5.247 4.969 -3.412 246 HA PRO 460 HA PRO 460 -5.091 3.221 5.863 247 HB2 PRO 460 HB2 PRO 460 -2.483 3.836 6.025 248 HB3 PRO 460 HB1 PRO 460 -3.043 2.162 6.135 249 HG2 PRO 460 HG2 PRO 460 -1.850 3.612 3.797 250 HG3 PRO 460 HG1 PRO 460 -1.535 1.964 4.376 251 HD2 PRO 460 HD2 PRO 460 -3.207 2.571 2.288 252 HD3 PRO 460 HD1 PRO 460 -3.350 1.109 3.284 253 H GLN 461 HN GLN 461 -4.886 5.354 6.736 254 HA GLN 461 HA GLN 461 -5.380 7.427 4.834 255 HB2 GLN 461 HB2 GLN 461 -6.472 7.339 7.050 256 HB3 GLN 461 HB1 GLN 461 -4.918 7.623 7.820 257 HG2 GLN 461 HG2 GLN 461 -6.161 9.663 7.780 258 HG3 GLN 461 HG1 GLN 461 -4.796 9.809 6.676 259 HE21 GLN 461 HE21 GLN 461 -5.728 11.421 5.469 260 HE22 GLN 461 HE22 GLN 461 -7.076 11.145 4.417 261 H GLU 462 HN GLU 462 -2.541 6.149 6.203 262 HA GLU 462 HA GLU 462 -0.914 8.484 6.036 263 HB2 GLU 462 HB2 GLU 462 -0.309 6.475 7.388 264 HB3 GLU 462 HB1 GLU 462 -0.056 5.582 5.896 265 HG2 GLU 462 HG2 GLU 462 1.696 7.246 5.281 266 HG3 GLU 462 HG1 GLU 462 1.508 7.954 6.883 267 H LEU 463 HN LEU 463 -2.220 6.299 3.778 268 HA LEU 463 HA LEU 463 -0.262 6.963 1.721 269 HB2 LEU 463 HB2 LEU 463 -0.856 4.635 1.901 270 HB3 LEU 463 HB1 LEU 463 -2.561 5.008 1.788 271 HG LEU 463 HG LEU 463 -2.239 5.741 -0.543 272 HD11 LEU 463 HD11 LEU 463 0.594 4.788 -0.139 273 HD12 LEU 463 HD12 LEU 463 0.085 6.458 -0.397 274 HD13 LEU 463 HD13 LEU 463 -0.126 5.263 -1.678 275 HD21 LEU 463 HD21 LEU 463 -2.907 3.459 -0.082 276 HD22 LEU 463 HD22 LEU 463 -1.221 2.979 0.100 277 HD23 LEU 463 HD23 LEU 463 -1.826 3.505 -1.474 278 H LYS 464 HN LYS 464 -3.832 6.762 1.832 279 HA LYS 464 HA LYS 464 -5.467 7.990 0.852 280 HB2 LYS 464 HB2 LYS 464 -4.647 9.762 2.292 281 HB3 LYS 464 HB1 LYS 464 -3.395 10.174 1.130 282 HG2 LYS 464 HG2 LYS 464 -5.457 10.549 -0.458 283 HG3 LYS 464 HG1 LYS 464 -6.309 10.759 1.073 284 HD2 LYS 464 HD2 LYS 464 -5.617 12.921 0.479 285 HD3 LYS 464 HD1 LYS 464 -4.444 12.396 1.686 286 HE2 LYS 464 HE2 LYS 464 -4.047 12.331 -1.310 287 HE3 LYS 464 HE1 LYS 464 -3.368 13.529 -0.215 288 HZ1 LYS 464 HZ1 LYS 464 -1.691 11.944 -0.685 289 HZ2 LYS 464 HZ2 LYS 464 -2.719 10.634 -0.353 290 HZ3 LYS 464 HZ3 LYS 464 -2.199 11.649 0.905 Start of MODEL 19 1 H1 GLY 428 HT1 GLY 428 -3.234 13.989 -0.158 2 H2 GLY 428 HT2 GLY 428 -2.361 12.580 -0.497 3 H3 GLY 428 HT3 GLY 428 -4.054 12.530 -0.438 4 HA2 GLY 428 HA1 GLY 428 -3.308 12.497 -2.720 5 HA3 GLY 428 HA2 GLY 428 -4.179 13.986 -2.370 6 H ALA 429 HN ALA 429 -2.005 13.311 -4.378 7 HA ALA 429 HA ALA 429 -0.054 14.136 -5.201 8 HB1 ALA 429 HB1 ALA 429 -0.789 16.548 -3.538 9 HB2 ALA 429 HB2 ALA 429 -1.323 16.229 -5.189 10 HB3 ALA 429 HB3 ALA 429 0.385 16.519 -4.854 11 H THR 430 HN THR 430 -0.011 12.611 -2.714 12 HA THR 430 HA THR 430 1.760 13.752 -0.831 13 HB THR 430 HB THR 430 1.276 10.804 -1.269 14 HG1 THR 430 HG1 THR 430 -0.405 11.425 0.497 15 HG21 THR 430 HG21 THR 430 3.020 11.359 0.355 16 HG22 THR 430 HG22 THR 430 1.608 10.675 1.160 17 HG23 THR 430 HG23 THR 430 1.897 12.413 1.214 18 H ALA 431 HN ALA 431 2.214 11.490 -3.528 19 HA ALA 431 HA ALA 431 4.052 10.613 -4.536 20 HB1 ALA 431 HB1 ALA 431 5.807 12.198 -5.100 21 HB2 ALA 431 HB2 ALA 431 5.215 13.316 -3.871 22 HB3 ALA 431 HB3 ALA 431 4.217 12.939 -5.275 23 H VAL 432 HN VAL 432 4.327 9.043 -2.833 24 HA VAL 432 HA VAL 432 6.822 9.465 -1.361 25 HB VAL 432 HB VAL 432 4.979 9.867 0.209 26 HG11 VAL 432 HG11 VAL 432 4.141 7.041 -0.413 27 HG12 VAL 432 HG12 VAL 432 3.250 8.511 -0.807 28 HG13 VAL 432 HG13 VAL 432 3.482 8.044 0.878 29 HG21 VAL 432 HG21 VAL 432 6.467 7.297 0.735 30 HG22 VAL 432 HG22 VAL 432 5.649 8.272 1.957 31 HG23 VAL 432 HG23 VAL 432 7.034 8.931 1.086 32 H SER 433 HN SER 433 8.183 7.760 -1.364 33 HA SER 433 HA SER 433 7.525 5.530 -3.078 34 HB2 SER 433 HB2 SER 433 10.096 6.018 -1.562 35 HB3 SER 433 HB1 SER 433 9.868 5.022 -3.000 36 HG SER 433 HG SER 433 9.951 6.745 -4.226 37 H GLU 434 HN GLU 434 6.934 6.106 0.066 38 HA GLU 434 HA GLU 434 7.874 3.620 1.200 39 HB2 GLU 434 HB2 GLU 434 7.777 5.877 2.397 40 HB3 GLU 434 HB1 GLU 434 6.041 5.626 2.510 41 HG2 GLU 434 HG2 GLU 434 7.143 4.980 4.558 42 HG3 GLU 434 HG1 GLU 434 6.424 3.573 3.771 43 H TRP 435 HN TRP 435 5.242 4.522 -0.616 44 HA TRP 435 HA TRP 435 3.738 2.177 0.292 45 HB2 TRP 435 HB2 TRP 435 2.555 4.896 -0.307 46 HB3 TRP 435 HB1 TRP 435 1.608 3.425 -0.117 47 HD1 TRP 435 HD1 TRP 435 2.926 6.273 1.820 48 HE1 TRP 435 HE1 TRP 435 2.641 5.860 4.346 49 HE3 TRP 435 HE3 TRP 435 1.796 1.286 1.713 50 HZ2 TRP 435 HZ2 TRP 435 2.028 3.714 6.063 51 HZ3 TRP 435 HZ3 TRP 435 1.376 0.131 3.844 52 HH2 TRP 435 HH2 TRP 435 1.489 1.319 5.974 53 H THR 436 HN THR 436 3.772 0.817 -1.357 54 HA THR 436 HA THR 436 3.218 1.884 -4.049 55 HB THR 436 HB THR 436 4.971 -0.516 -3.476 56 HG1 THR 436 HG1 THR 436 5.627 1.904 -2.962 57 HG21 THR 436 HG21 THR 436 3.907 -0.495 -5.689 58 HG22 THR 436 HG22 THR 436 5.648 -0.239 -5.820 59 HG23 THR 436 HG23 THR 436 4.542 1.125 -5.983 60 H GLU 437 HN GLU 437 1.442 1.048 -4.963 61 HA GLU 437 HA GLU 437 0.239 -1.329 -3.739 62 HB2 GLU 437 HB2 GLU 437 -1.823 -0.612 -4.968 63 HB3 GLU 437 HB1 GLU 437 -1.266 0.512 -3.741 64 HG2 GLU 437 HG2 GLU 437 -0.357 1.974 -5.420 65 HG3 GLU 437 HG1 GLU 437 -0.729 0.806 -6.689 66 H TYR 438 HN TYR 438 0.174 -3.205 -4.771 67 HA TYR 438 HA TYR 438 0.798 -3.213 -7.646 68 HB2 TYR 438 HB2 TYR 438 1.180 -5.354 -5.551 69 HB3 TYR 438 HB1 TYR 438 1.435 -5.609 -7.275 70 HD1 TYR 438 HD1 TYR 438 3.244 -4.353 -8.446 71 HD2 TYR 438 HD2 TYR 438 2.836 -4.288 -4.210 72 HE1 TYR 438 HE1 TYR 438 5.554 -3.541 -8.240 73 HE2 TYR 438 HE2 TYR 438 5.148 -3.474 -3.996 74 HH TYR 438 HH TYR 438 7.253 -3.562 -5.347 75 H LYS 439 HN LYS 439 -0.839 -3.529 -8.927 76 HA LYS 439 HA LYS 439 -3.284 -4.793 -7.974 77 HB2 LYS 439 HB2 LYS 439 -3.528 -2.716 -9.203 78 HB3 LYS 439 HB1 LYS 439 -2.575 -3.349 -10.536 79 HG2 LYS 439 HG2 LYS 439 -4.812 -3.423 -11.246 80 HG3 LYS 439 HG1 LYS 439 -4.384 -5.083 -10.842 81 HD2 LYS 439 HD2 LYS 439 -6.500 -4.812 -9.911 82 HD3 LYS 439 HD1 LYS 439 -5.409 -4.580 -8.544 83 HE2 LYS 439 HE2 LYS 439 -6.457 -2.274 -10.168 84 HE3 LYS 439 HE1 LYS 439 -7.350 -2.936 -8.801 85 HZ1 LYS 439 HZ1 LYS 439 -4.613 -1.771 -8.701 86 HZ2 LYS 439 HZ2 LYS 439 -5.438 -2.454 -7.386 87 HZ3 LYS 439 HZ3 LYS 439 -6.032 -1.053 -8.122 88 H THR 440 HN THR 440 -3.582 -6.926 -8.266 89 HA THR 440 HA THR 440 -2.029 -8.341 -10.275 90 HB THR 440 HB THR 440 -3.035 -10.383 -9.326 91 HG1 THR 440 HG1 THR 440 -4.660 -10.296 -7.931 92 HG21 THR 440 HG21 THR 440 -0.991 -9.487 -8.303 93 HG22 THR 440 HG22 THR 440 -2.020 -10.271 -7.106 94 HG23 THR 440 HG23 THR 440 -1.969 -8.512 -7.206 95 H ALA 441 HN ALA 441 -2.974 -9.586 -11.934 96 HA ALA 441 HA ALA 441 -5.023 -8.361 -13.370 97 HB1 ALA 441 HB1 ALA 441 -4.971 -10.323 -14.820 98 HB2 ALA 441 HB2 ALA 441 -4.045 -11.204 -13.605 99 HB3 ALA 441 HB3 ALA 441 -3.339 -9.798 -14.403 100 H ASP 442 HN ASP 442 -5.125 -10.844 -10.942 101 HA ASP 442 HA ASP 442 -7.801 -11.711 -11.471 102 HB2 ASP 442 HB2 ASP 442 -7.539 -12.792 -9.177 103 HB3 ASP 442 HB1 ASP 442 -6.404 -13.302 -10.424 104 H GLY 443 HN GLY 443 -6.603 -8.895 -10.115 105 HA2 GLY 443 HA2 GLY 443 -7.999 -7.095 -9.566 106 HA3 GLY 443 HA1 GLY 443 -9.311 -8.221 -9.277 107 H LYS 444 HN LYS 444 -6.089 -8.416 -7.858 108 HA LYS 444 HA LYS 444 -7.240 -7.567 -5.286 109 HB2 LYS 444 HB2 LYS 444 -5.295 -9.835 -5.776 110 HB3 LYS 444 HB1 LYS 444 -5.711 -9.213 -4.185 111 HG2 LYS 444 HG2 LYS 444 -8.037 -9.858 -4.523 112 HG3 LYS 444 HG1 LYS 444 -7.647 -10.453 -6.136 113 HD2 LYS 444 HD2 LYS 444 -7.766 -12.316 -4.615 114 HD3 LYS 444 HD1 LYS 444 -6.089 -12.084 -5.107 115 HE2 LYS 444 HE2 LYS 444 -6.242 -12.550 -2.725 116 HE3 LYS 444 HE1 LYS 444 -5.632 -10.922 -3.007 117 HZ1 LYS 444 HZ1 LYS 444 -7.318 -11.087 -1.217 118 HZ2 LYS 444 HZ2 LYS 444 -8.469 -11.539 -2.378 119 HZ3 LYS 444 HZ3 LYS 444 -7.746 -10.006 -2.452 120 H THR 445 HN THR 445 -6.137 -5.992 -4.280 121 HA THR 445 HA THR 445 -3.531 -5.239 -5.436 122 HB THR 445 HB THR 445 -5.559 -3.390 -4.160 123 HG1 THR 445 HG1 THR 445 -6.390 -4.124 -6.118 124 HG21 THR 445 HG21 THR 445 -3.261 -2.577 -4.016 125 HG22 THR 445 HG22 THR 445 -4.189 -1.615 -5.166 126 HG23 THR 445 HG23 THR 445 -3.050 -2.829 -5.749 127 H TYR 446 HN TYR 446 -1.846 -5.316 -4.082 128 HA TYR 446 HA TYR 446 -2.414 -5.030 -1.214 129 HB2 TYR 446 HB2 TYR 446 -0.672 -6.580 -0.667 130 HB3 TYR 446 HB1 TYR 446 -1.731 -7.346 -1.838 131 HD1 TYR 446 HD1 TYR 446 -0.935 -7.709 -4.170 132 HD2 TYR 446 HD2 TYR 446 1.619 -6.170 -1.137 133 HE1 TYR 446 HE1 TYR 446 1.027 -8.293 -5.533 134 HE2 TYR 446 HE2 TYR 446 3.590 -6.741 -2.494 135 HH TYR 446 HH TYR 446 3.378 -7.632 -5.785 136 H TYR 447 HN TYR 447 -1.388 -3.522 -0.153 137 HA TYR 447 HA TYR 447 0.501 -1.803 -1.542 138 HB2 TYR 447 HB2 TYR 447 -1.044 -1.604 1.037 139 HB3 TYR 447 HB1 TYR 447 0.234 -0.460 0.638 140 HD1 TYR 447 HD2 TYR 447 -3.129 -1.630 -0.226 141 HD2 TYR 447 HD1 TYR 447 -0.047 1.158 -1.121 142 HE1 TYR 447 HE2 TYR 447 -4.713 -0.325 -1.579 143 HE2 TYR 447 HE1 TYR 447 -1.617 2.465 -2.481 144 HH TYR 447 HH TYR 447 -3.691 2.138 -3.707 145 H TYR 448 HN TYR 448 2.605 -1.927 -1.268 146 HA TYR 448 HA TYR 448 3.624 -3.605 0.912 147 HB2 TYR 448 HB2 TYR 448 4.114 -4.126 -1.545 148 HB3 TYR 448 HB1 TYR 448 5.143 -2.699 -1.534 149 HD1 TYR 448 HD1 TYR 448 4.654 -6.023 0.028 150 HD2 TYR 448 HD2 TYR 448 7.342 -2.805 -0.683 151 HE1 TYR 448 HE1 TYR 448 6.508 -7.395 0.874 152 HE2 TYR 448 HE2 TYR 448 9.206 -4.167 0.165 153 HH TYR 448 HH TYR 448 9.010 -7.485 0.567 154 H ASN 449 HN ASN 449 4.313 -2.521 2.613 155 HA ASN 449 HA ASN 449 5.503 0.136 2.270 156 HB2 ASN 449 HB2 ASN 449 3.796 0.026 3.977 157 HB3 ASN 449 HB1 ASN 449 4.587 -1.345 4.745 158 HD21 ASN 449 HD21 ASN 449 4.694 2.084 4.187 159 HD22 ASN 449 HD22 ASN 449 5.850 2.450 5.417 160 H ASN 450 HN ASN 450 7.610 0.327 2.179 161 HA ASN 450 HA ASN 450 9.261 -2.003 2.353 162 HB2 ASN 450 HB2 ASN 450 10.094 0.879 1.952 163 HB3 ASN 450 HB1 ASN 450 11.073 -0.543 1.622 164 HD21 ASN 450 HD21 ASN 450 10.109 1.674 -0.085 165 HD22 ASN 450 HD22 ASN 450 9.312 0.912 -1.412 166 H ARG 451 HN ARG 451 8.634 0.755 4.370 167 HA ARG 451 HA ARG 451 10.978 0.720 5.904 168 HB2 ARG 451 HB2 ARG 451 9.306 2.585 5.754 169 HB3 ARG 451 HB1 ARG 451 8.259 1.655 6.813 170 HG2 ARG 451 HG2 ARG 451 9.429 3.334 8.079 171 HG3 ARG 451 HG1 ARG 451 9.988 1.731 8.561 172 HD2 ARG 451 HD2 ARG 451 11.421 3.407 6.513 173 HD3 ARG 451 HD1 ARG 451 11.767 3.515 8.237 174 HE ARG 451 HE ARG 451 12.027 0.886 7.806 175 HH11 ARG 451 HH11 ARG 451 13.329 3.658 6.100 176 HH12 ARG 451 HH12 ARG 451 14.722 2.795 5.505 177 HH21 ARG 451 HH21 ARG 451 13.856 -0.247 7.029 178 HH22 ARG 451 HH22 ARG 451 15.008 0.571 6.014 179 H THR 452 HN THR 452 7.919 -0.991 6.340 180 HA THR 452 HA THR 452 9.133 -2.343 8.666 181 HB THR 452 HB THR 452 6.157 -2.055 8.349 182 HG1 THR 452 HG1 THR 452 7.141 0.056 8.272 183 HG21 THR 452 HG21 THR 452 6.217 -2.228 10.800 184 HG22 THR 452 HG22 THR 452 7.976 -2.322 10.749 185 HG23 THR 452 HG23 THR 452 7.005 -3.614 10.044 186 H LEU 453 HN LEU 453 8.326 -2.772 5.543 187 HA LEU 453 HA LEU 453 8.036 -4.561 4.180 188 HB2 LEU 453 HB2 LEU 453 8.639 -6.158 6.672 189 HB3 LEU 453 HB1 LEU 453 8.595 -6.805 5.043 190 HG LEU 453 HG LEU 453 10.546 -4.745 6.070 191 HD11 LEU 453 HD11 LEU 453 10.929 -7.643 5.327 192 HD12 LEU 453 HD12 LEU 453 10.952 -6.977 6.960 193 HD13 LEU 453 HD13 LEU 453 12.201 -6.519 5.802 194 HD21 LEU 453 HD21 LEU 453 11.655 -5.014 3.908 195 HD22 LEU 453 HD22 LEU 453 10.015 -4.394 3.716 196 HD23 LEU 453 HD23 LEU 453 10.360 -6.089 3.376 197 H GLU 454 HN GLU 454 5.782 -3.415 5.662 198 HA GLU 454 HA GLU 454 4.065 -5.733 6.191 199 HB2 GLU 454 HB2 GLU 454 3.803 -2.809 6.866 200 HB3 GLU 454 HB1 GLU 454 2.449 -3.919 7.017 201 HG2 GLU 454 HG2 GLU 454 3.932 -5.315 8.511 202 HG3 GLU 454 HG1 GLU 454 5.046 -3.949 8.521 203 H SER 455 HN SER 455 2.129 -6.078 5.142 204 HA SER 455 HA SER 455 1.691 -4.456 2.725 205 HB2 SER 455 HB2 SER 455 2.683 -6.717 2.263 206 HB3 SER 455 HB1 SER 455 1.234 -7.440 2.959 207 HG SER 455 HG SER 455 1.186 -5.606 0.798 208 H TYR 456 HN TYR 456 -0.318 -3.709 2.425 209 HA TYR 456 HA TYR 456 -2.496 -4.818 4.078 210 HB2 TYR 456 HB2 TYR 456 -2.132 -1.908 3.332 211 HB3 TYR 456 HB1 TYR 456 -3.406 -2.580 4.343 212 HD1 TYR 456 HD1 TYR 456 -2.700 -3.686 6.544 213 HD2 TYR 456 HD2 TYR 456 -0.146 -1.151 4.279 214 HE1 TYR 456 HE1 TYR 456 -1.318 -3.307 8.539 215 HE2 TYR 456 HE2 TYR 456 1.247 -0.768 6.269 216 HH TYR 456 HH TYR 456 1.158 -2.639 8.972 217 H TRP 457 HN TRP 457 -4.281 -5.377 2.965 218 HA TRP 457 HA TRP 457 -4.327 -5.027 0.107 219 HB2 TRP 457 HB2 TRP 457 -6.344 -6.303 1.973 220 HB3 TRP 457 HB1 TRP 457 -6.403 -6.376 0.213 221 HD1 TRP 457 HD1 TRP 457 -4.538 -7.830 3.213 222 HE1 TRP 457 HE1 TRP 457 -3.123 -9.839 2.428 223 HE3 TRP 457 HE3 TRP 457 -5.178 -7.342 -1.838 224 HZ2 TRP 457 HZ2 TRP 457 -2.388 -11.045 -0.010 225 HZ3 TRP 457 HZ3 TRP 457 -4.078 -8.964 -3.324 226 HH2 TRP 457 HH2 TRP 457 -2.712 -10.776 -2.427 227 H GLU 458 HN GLU 458 -4.949 -2.933 2.421 228 HA GLU 458 HA GLU 458 -7.108 -1.591 0.941 229 HB2 GLU 458 HB2 GLU 458 -6.661 -1.561 3.937 230 HB3 GLU 458 HB1 GLU 458 -7.907 -0.667 3.075 231 HG2 GLU 458 HG2 GLU 458 -8.995 -2.705 2.427 232 HG3 GLU 458 HG1 GLU 458 -7.688 -3.667 3.118 233 H LYS 459 HN LYS 459 -6.815 0.661 0.679 234 HA LYS 459 HA LYS 459 -4.084 1.482 0.747 235 HB2 LYS 459 HB2 LYS 459 -4.832 3.574 -0.244 236 HB3 LYS 459 HB1 LYS 459 -5.539 2.205 -1.084 237 HG2 LYS 459 HG2 LYS 459 -7.657 2.588 -0.042 238 HG3 LYS 459 HG1 LYS 459 -6.973 3.830 1.003 239 HD2 LYS 459 HD2 LYS 459 -8.070 5.018 -0.698 240 HD3 LYS 459 HD1 LYS 459 -6.367 5.069 -1.144 241 HE2 LYS 459 HE2 LYS 459 -8.234 2.987 -2.231 242 HE3 LYS 459 HE1 LYS 459 -8.082 4.570 -2.979 243 HZ1 LYS 459 HZ1 LYS 459 -6.682 2.804 -3.982 244 HZ2 LYS 459 HZ2 LYS 459 -5.784 2.735 -2.550 245 HZ3 LYS 459 HZ3 LYS 459 -5.805 4.158 -3.468 246 HA PRO 460 HA PRO 460 -4.077 3.183 4.868 247 HB2 PRO 460 HB2 PRO 460 -1.708 4.537 4.554 248 HB3 PRO 460 HB1 PRO 460 -1.814 2.816 4.943 249 HG2 PRO 460 HG2 PRO 460 -1.371 4.137 2.293 250 HG3 PRO 460 HG1 PRO 460 -0.571 2.712 2.984 251 HD2 PRO 460 HD2 PRO 460 -2.518 2.474 1.155 252 HD3 PRO 460 HD1 PRO 460 -2.358 1.316 2.492 253 H GLN 461 HN GLN 461 -4.703 5.127 5.718 254 HA GLN 461 HA GLN 461 -5.840 7.024 3.957 255 HB2 GLN 461 HB2 GLN 461 -6.589 6.495 6.318 256 HB3 GLN 461 HB1 GLN 461 -5.234 7.454 6.887 257 HG2 GLN 461 HG2 GLN 461 -6.988 8.796 4.950 258 HG3 GLN 461 HG1 GLN 461 -7.733 8.396 6.495 259 HE21 GLN 461 HE21 GLN 461 -5.357 10.318 4.868 260 HE22 GLN 461 HE22 GLN 461 -4.986 11.359 6.203 261 H GLU 462 HN GLU 462 -2.714 6.681 5.323 262 HA GLU 462 HA GLU 462 -1.803 9.341 5.229 263 HB2 GLU 462 HB2 GLU 462 -0.289 6.740 4.936 264 HB3 GLU 462 HB1 GLU 462 0.477 8.307 5.127 265 HG2 GLU 462 HG2 GLU 462 0.466 7.145 7.227 266 HG3 GLU 462 HG1 GLU 462 -0.598 8.545 7.324 267 H LEU 463 HN LEU 463 -2.595 7.172 2.751 268 HA LEU 463 HA LEU 463 -0.956 8.535 0.756 269 HB2 LEU 463 HB2 LEU 463 -1.062 6.110 0.637 270 HB3 LEU 463 HB1 LEU 463 -2.812 6.160 0.564 271 HG LEU 463 HG LEU 463 -2.702 7.227 -1.643 272 HD11 LEU 463 HD11 LEU 463 -0.590 8.422 -1.393 273 HD12 LEU 463 HD12 LEU 463 -0.547 7.378 -2.814 274 HD13 LEU 463 HD13 LEU 463 0.284 6.891 -1.336 275 HD21 LEU 463 HD21 LEU 463 -2.824 4.812 -1.509 276 HD22 LEU 463 HD22 LEU 463 -1.067 4.710 -1.384 277 HD23 LEU 463 HD23 LEU 463 -1.813 5.296 -2.872 278 H LYS 464 HN LYS 464 -4.201 8.344 1.946 279 HA LYS 464 HA LYS 464 -5.375 9.577 -0.396 280 HB2 LYS 464 HB2 LYS 464 -6.510 7.787 1.024 281 HB3 LYS 464 HB1 LYS 464 -6.733 9.029 2.246 282 HG2 LYS 464 HG2 LYS 464 -7.726 9.384 -0.558 283 HG3 LYS 464 HG1 LYS 464 -8.676 8.545 0.665 284 HD2 LYS 464 HD2 LYS 464 -8.802 10.494 2.020 285 HD3 LYS 464 HD1 LYS 464 -7.591 11.327 1.045 286 HE2 LYS 464 HE2 LYS 464 -10.309 10.469 0.061 287 HE3 LYS 464 HE1 LYS 464 -9.899 12.099 0.597 288 HZ1 LYS 464 HZ1 LYS 464 -8.242 12.217 -1.169 289 HZ2 LYS 464 HZ2 LYS 464 -9.786 11.927 -1.804 290 HZ3 LYS 464 HZ3 LYS 464 -8.666 10.661 -1.695 Start of MODEL 20 1 H1 GLY 428 HT1 GLY 428 1.765 4.960 -7.468 2 H2 GLY 428 HT2 GLY 428 2.411 6.449 -7.964 3 H3 GLY 428 HT3 GLY 428 2.969 5.015 -8.664 4 HA2 GLY 428 HA1 GLY 428 1.503 6.069 -10.211 5 HA3 GLY 428 HA2 GLY 428 0.741 4.611 -9.588 6 H ALA 429 HN ALA 429 -0.782 4.874 -7.785 7 HA ALA 429 HA ALA 429 -2.535 7.113 -8.154 8 HB1 ALA 429 HB1 ALA 429 -2.517 4.999 -5.995 9 HB2 ALA 429 HB2 ALA 429 -3.376 4.894 -7.532 10 HB3 ALA 429 HB3 ALA 429 -3.841 6.111 -6.343 11 H THR 430 HN THR 430 0.053 6.278 -6.007 12 HA THR 430 HA THR 430 -0.258 8.876 -4.656 13 HB THR 430 HB THR 430 -0.503 6.943 -3.121 14 HG1 THR 430 HG1 THR 430 1.012 7.731 -1.597 15 HG21 THR 430 HG21 THR 430 2.357 6.340 -3.888 16 HG22 THR 430 HG22 THR 430 0.950 5.346 -4.265 17 HG23 THR 430 HG23 THR 430 1.454 5.561 -2.589 18 H ALA 431 HN ALA 431 1.888 9.802 -3.940 19 HA ALA 431 HA ALA 431 3.754 9.617 -6.182 20 HB1 ALA 431 HB1 ALA 431 4.693 11.701 -5.340 21 HB2 ALA 431 HB2 ALA 431 3.640 11.619 -3.928 22 HB3 ALA 431 HB3 ALA 431 2.945 11.837 -5.534 23 H VAL 432 HN VAL 432 3.663 9.283 -2.662 24 HA VAL 432 HA VAL 432 6.404 8.768 -2.288 25 HB VAL 432 HB VAL 432 4.989 9.295 -0.390 26 HG11 VAL 432 HG11 VAL 432 2.920 8.241 -1.088 27 HG12 VAL 432 HG12 VAL 432 3.379 7.684 0.521 28 HG13 VAL 432 HG13 VAL 432 3.639 6.646 -0.880 29 HG21 VAL 432 HG21 VAL 432 7.010 8.021 0.051 30 HG22 VAL 432 HG22 VAL 432 6.125 6.511 -0.174 31 HG23 VAL 432 HG23 VAL 432 5.732 7.571 1.181 32 H SER 433 HN SER 433 7.627 7.068 -2.785 33 HA SER 433 HA SER 433 6.289 4.859 -4.146 34 HB2 SER 433 HB2 SER 433 9.220 5.600 -4.093 35 HB3 SER 433 HB1 SER 433 8.460 4.406 -5.149 36 HG SER 433 HG SER 433 7.208 6.821 -5.270 37 H GLU 434 HN GLU 434 7.493 5.482 -1.107 38 HA GLU 434 HA GLU 434 8.587 2.914 -0.526 39 HB2 GLU 434 HB2 GLU 434 7.419 4.984 1.343 40 HB3 GLU 434 HB1 GLU 434 8.299 3.548 1.851 41 HG2 GLU 434 HG2 GLU 434 10.239 4.388 0.501 42 HG3 GLU 434 HG1 GLU 434 9.352 5.896 0.303 43 H TRP 435 HN TRP 435 5.431 4.190 -0.857 44 HA TRP 435 HA TRP 435 4.242 1.681 0.066 45 HB2 TRP 435 HB2 TRP 435 3.055 4.332 -0.757 46 HB3 TRP 435 HB1 TRP 435 2.069 2.885 -0.598 47 HD1 TRP 435 HD1 TRP 435 3.775 5.577 1.456 48 HE1 TRP 435 HE1 TRP 435 3.090 5.302 3.921 49 HE3 TRP 435 HE3 TRP 435 1.454 1.031 1.155 50 HZ2 TRP 435 HZ2 TRP 435 1.745 3.413 5.524 51 HZ3 TRP 435 HZ3 TRP 435 0.496 0.057 3.201 52 HH2 TRP 435 HH2 TRP 435 0.642 1.226 5.340 53 H THR 436 HN THR 436 4.529 0.143 -1.454 54 HA THR 436 HA THR 436 4.389 0.893 -4.267 55 HB THR 436 HB THR 436 5.023 -1.823 -3.097 56 HG1 THR 436 HG1 THR 436 6.537 0.497 -3.381 57 HG21 THR 436 HG21 THR 436 6.068 -2.222 -5.282 58 HG22 THR 436 HG22 THR 436 5.566 -0.619 -5.817 59 HG23 THR 436 HG23 THR 436 4.352 -1.848 -5.460 60 H GLU 437 HN GLU 437 2.580 0.753 -5.346 61 HA GLU 437 HA GLU 437 0.320 -0.700 -4.251 62 HB2 GLU 437 HB2 GLU 437 -0.889 0.470 -6.170 63 HB3 GLU 437 HB1 GLU 437 -0.210 1.506 -4.922 64 HG2 GLU 437 HG2 GLU 437 1.818 1.738 -6.440 65 HG3 GLU 437 HG1 GLU 437 0.820 1.014 -7.697 66 H TYR 438 HN TYR 438 0.071 -2.770 -4.778 67 HA TYR 438 HA TYR 438 1.106 -3.697 -7.367 68 HB2 TYR 438 HB2 TYR 438 0.540 -5.138 -4.783 69 HB3 TYR 438 HB1 TYR 438 0.793 -6.004 -6.293 70 HD1 TYR 438 HD2 TYR 438 3.005 -5.422 -7.567 71 HD2 TYR 438 HD1 TYR 438 2.360 -4.662 -3.430 72 HE1 TYR 438 HE2 TYR 438 5.437 -5.371 -7.204 73 HE2 TYR 438 HE1 TYR 438 4.790 -4.608 -3.055 74 HH TYR 438 HH TYR 438 7.053 -4.432 -5.571 75 H LYS 439 HN LYS 439 -0.276 -4.027 -8.934 76 HA LYS 439 HA LYS 439 -3.000 -4.938 -8.291 77 HB2 LYS 439 HB2 LYS 439 -3.173 -2.930 -9.555 78 HB3 LYS 439 HB1 LYS 439 -1.900 -3.425 -10.661 79 HG2 LYS 439 HG2 LYS 439 -3.963 -3.591 -11.820 80 HG3 LYS 439 HG1 LYS 439 -3.416 -5.232 -11.481 81 HD2 LYS 439 HD2 LYS 439 -5.605 -5.435 -10.873 82 HD3 LYS 439 HD1 LYS 439 -4.934 -4.901 -9.334 83 HE2 LYS 439 HE2 LYS 439 -6.158 -3.055 -11.382 84 HE3 LYS 439 HE1 LYS 439 -7.042 -3.741 -10.022 85 HZ1 LYS 439 HZ1 LYS 439 -5.437 -2.648 -8.533 86 HZ2 LYS 439 HZ2 LYS 439 -6.314 -1.546 -9.470 87 HZ3 LYS 439 HZ3 LYS 439 -4.709 -1.907 -9.877 88 H THR 440 HN THR 440 -3.288 -7.040 -8.560 89 HA THR 440 HA THR 440 -1.438 -8.575 -10.192 90 HB THR 440 HB THR 440 -2.590 -10.549 -9.251 91 HG1 THR 440 HG1 THR 440 -4.386 -10.347 -8.087 92 HG21 THR 440 HG21 THR 440 -1.881 -10.246 -6.923 93 HG22 THR 440 HG22 THR 440 -1.784 -8.504 -7.178 94 HG23 THR 440 HG23 THR 440 -0.691 -9.583 -8.044 95 H ALA 441 HN ALA 441 -2.099 -9.974 -11.874 96 HA ALA 441 HA ALA 441 -3.944 -8.938 -13.698 97 HB1 ALA 441 HB1 ALA 441 -2.902 -11.766 -13.530 98 HB2 ALA 441 HB2 ALA 441 -2.100 -10.415 -14.334 99 HB3 ALA 441 HB3 ALA 441 -3.643 -11.014 -14.943 100 H ASP 442 HN ASP 442 -4.360 -11.234 -11.106 101 HA ASP 442 HA ASP 442 -6.960 -12.116 -11.911 102 HB2 ASP 442 HB2 ASP 442 -6.993 -12.982 -9.477 103 HB3 ASP 442 HB1 ASP 442 -5.825 -13.675 -10.598 104 H GLY 443 HN GLY 443 -5.905 -9.213 -10.656 105 HA2 GLY 443 HA2 GLY 443 -7.332 -7.368 -10.475 106 HA3 GLY 443 HA1 GLY 443 -8.687 -8.456 -10.250 107 H LYS 444 HN LYS 444 -5.766 -8.736 -8.337 108 HA LYS 444 HA LYS 444 -7.279 -7.702 -6.031 109 HB2 LYS 444 HB2 LYS 444 -4.975 -9.665 -6.086 110 HB3 LYS 444 HB1 LYS 444 -5.777 -9.085 -4.633 111 HG2 LYS 444 HG2 LYS 444 -7.845 -10.132 -5.302 112 HG3 LYS 444 HG1 LYS 444 -7.134 -10.622 -6.840 113 HD2 LYS 444 HD2 LYS 444 -7.103 -12.531 -5.433 114 HD3 LYS 444 HD1 LYS 444 -5.445 -11.936 -5.511 115 HE2 LYS 444 HE2 LYS 444 -5.852 -10.745 -3.357 116 HE3 LYS 444 HE1 LYS 444 -7.423 -11.542 -3.272 117 HZ1 LYS 444 HZ1 LYS 444 -6.163 -13.693 -3.440 118 HZ2 LYS 444 HZ2 LYS 444 -5.943 -12.834 -1.996 119 HZ3 LYS 444 HZ3 LYS 444 -4.740 -12.800 -3.191 120 H THR 445 HN THR 445 -6.579 -5.888 -5.096 121 HA THR 445 HA THR 445 -3.892 -4.923 -5.836 122 HB THR 445 HB THR 445 -6.310 -3.221 -5.200 123 HG1 THR 445 HG1 THR 445 -6.619 -4.309 -7.167 124 HG21 THR 445 HG21 THR 445 -3.618 -2.518 -6.385 125 HG22 THR 445 HG22 THR 445 -4.166 -2.124 -4.756 126 HG23 THR 445 HG23 THR 445 -4.964 -1.403 -6.154 127 H TYR 446 HN TYR 446 -2.516 -4.630 -4.220 128 HA TYR 446 HA TYR 446 -3.526 -3.884 -1.585 129 HB2 TYR 446 HB2 TYR 446 -2.065 -5.516 -0.465 130 HB3 TYR 446 HB1 TYR 446 -3.288 -6.301 -1.450 131 HD1 TYR 446 HD1 TYR 446 -2.598 -7.267 -3.693 132 HD2 TYR 446 HD2 TYR 446 0.225 -5.935 -0.798 133 HE1 TYR 446 HE1 TYR 446 -0.854 -8.615 -4.777 134 HE2 TYR 446 HE2 TYR 446 1.978 -7.277 -1.883 135 HH TYR 446 HH TYR 446 1.625 -8.630 -4.950 136 H TYR 447 HN TYR 447 -2.004 -2.832 -0.259 137 HA TYR 447 HA TYR 447 0.115 -1.544 -1.833 138 HB2 TYR 447 HB2 TYR 447 -1.220 -0.571 0.705 139 HB3 TYR 447 HB1 TYR 447 -0.077 0.328 -0.286 140 HD1 TYR 447 HD1 TYR 447 -0.750 1.195 -2.484 141 HD2 TYR 447 HD2 TYR 447 -3.525 -0.762 0.077 142 HE1 TYR 447 HE1 TYR 447 -2.608 2.103 -3.811 143 HE2 TYR 447 HE2 TYR 447 -5.391 0.140 -1.243 144 HH TYR 447 HH TYR 447 -4.947 1.552 -4.298 145 H TYR 448 HN TYR 448 2.138 -2.043 -1.377 146 HA TYR 448 HA TYR 448 2.731 -3.408 1.152 147 HB2 TYR 448 HB2 TYR 448 3.330 -4.580 -0.939 148 HB3 TYR 448 HB1 TYR 448 4.357 -3.228 -1.396 149 HD1 TYR 448 HD1 TYR 448 3.901 -5.734 1.322 150 HD2 TYR 448 HD2 TYR 448 6.622 -3.285 -0.843 151 HE1 TYR 448 HE1 TYR 448 5.779 -6.807 2.486 152 HE2 TYR 448 HE2 TYR 448 8.511 -4.349 0.321 153 HH TYR 448 HH TYR 448 8.184 -7.203 2.118 154 H ASN 449 HN ASN 449 3.641 -2.266 2.716 155 HA ASN 449 HA ASN 449 4.918 0.287 2.113 156 HB2 ASN 449 HB2 ASN 449 3.306 -0.003 4.048 157 HB3 ASN 449 HB1 ASN 449 4.525 -1.014 4.820 158 HD21 ASN 449 HD21 ASN 449 3.408 1.481 5.756 159 HD22 ASN 449 HD22 ASN 449 4.723 2.596 5.914 160 H ASN 450 HN ASN 450 7.025 0.328 1.677 161 HA ASN 450 HA ASN 450 8.708 -1.943 2.307 162 HB2 ASN 450 HB2 ASN 450 9.269 0.651 0.859 163 HB3 ASN 450 HB1 ASN 450 10.467 -0.616 1.098 164 HD21 ASN 450 HD21 ASN 450 7.551 0.300 -0.549 165 HD22 ASN 450 HD22 ASN 450 7.579 -0.969 -1.726 166 H ARG 451 HN ARG 451 7.837 0.881 3.889 167 HA ARG 451 HA ARG 451 10.398 1.368 5.156 168 HB2 ARG 451 HB2 ARG 451 8.748 3.185 4.580 169 HB3 ARG 451 HB1 ARG 451 7.707 2.561 5.847 170 HG2 ARG 451 HG2 ARG 451 8.860 4.426 6.735 171 HG3 ARG 451 HG1 ARG 451 9.572 2.987 7.466 172 HD2 ARG 451 HD2 ARG 451 10.749 4.275 5.020 173 HD3 ARG 451 HD1 ARG 451 11.158 4.821 6.645 174 HE ARG 451 HE ARG 451 11.978 2.526 7.064 175 HH11 ARG 451 HH11 ARG 451 11.663 3.640 3.745 176 HH12 ARG 451 HH12 ARG 451 12.891 2.549 3.146 177 HH21 ARG 451 HH21 ARG 451 13.579 1.125 6.278 178 HH22 ARG 451 HH22 ARG 451 13.976 1.122 4.587 179 H THR 452 HN THR 452 7.372 -0.240 5.865 180 HA THR 452 HA THR 452 8.471 -1.071 8.469 181 HB THR 452 HB THR 452 6.077 -1.563 9.084 182 HG1 THR 452 HG1 THR 452 4.483 -0.517 7.776 183 HG21 THR 452 HG21 THR 452 7.201 0.464 9.872 184 HG22 THR 452 HG22 THR 452 5.498 0.781 9.532 185 HG23 THR 452 HG23 THR 452 6.738 1.304 8.392 186 H LEU 453 HN LEU 453 7.733 -2.096 5.373 187 HA LEU 453 HA LEU 453 7.773 -4.100 4.315 188 HB2 LEU 453 HB2 LEU 453 8.557 -5.186 7.020 189 HB3 LEU 453 HB1 LEU 453 8.586 -6.100 5.527 190 HG LEU 453 HG LEU 453 10.291 -3.692 6.166 191 HD11 LEU 453 HD11 LEU 453 12.137 -5.310 6.090 192 HD12 LEU 453 HD12 LEU 453 10.970 -6.615 5.882 193 HD13 LEU 453 HD13 LEU 453 10.984 -5.674 7.374 194 HD21 LEU 453 HD21 LEU 453 9.725 -3.747 3.802 195 HD22 LEU 453 HD22 LEU 453 10.219 -5.437 3.707 196 HD23 LEU 453 HD23 LEU 453 11.416 -4.186 4.043 197 H GLU 454 HN GLU 454 5.377 -3.028 5.609 198 HA GLU 454 HA GLU 454 3.920 -5.501 6.288 199 HB2 GLU 454 HB2 GLU 454 3.283 -2.621 6.945 200 HB3 GLU 454 HB1 GLU 454 2.231 -3.979 7.317 201 HG2 GLU 454 HG2 GLU 454 4.971 -3.427 8.425 202 HG3 GLU 454 HG1 GLU 454 3.434 -3.404 9.289 203 H SER 455 HN SER 455 2.072 -6.066 5.224 204 HA SER 455 HA SER 455 1.510 -4.559 2.755 205 HB2 SER 455 HB2 SER 455 0.917 -7.465 3.363 206 HB3 SER 455 HB1 SER 455 0.720 -6.656 1.809 207 HG SER 455 HG SER 455 3.145 -7.178 3.199 208 H TYR 456 HN TYR 456 -0.335 -3.452 2.723 209 HA TYR 456 HA TYR 456 -2.572 -4.403 4.401 210 HB2 TYR 456 HB2 TYR 456 -1.902 -1.575 3.554 211 HB3 TYR 456 HB1 TYR 456 -3.360 -2.041 4.418 212 HD1 TYR 456 HD1 TYR 456 -1.949 -4.081 6.262 213 HD2 TYR 456 HD2 TYR 456 -1.083 -0.057 5.190 214 HE1 TYR 456 HE1 TYR 456 -0.777 -3.772 8.401 215 HE2 TYR 456 HE2 TYR 456 0.100 0.263 7.326 216 HH TYR 456 HH TYR 456 0.008 -0.802 9.664 217 H TRP 457 HN TRP 457 -4.449 -4.865 3.416 218 HA TRP 457 HA TRP 457 -4.644 -4.469 0.539 219 HB2 TRP 457 HB2 TRP 457 -6.420 -5.946 2.493 220 HB3 TRP 457 HB1 TRP 457 -6.757 -5.813 0.770 221 HD1 TRP 457 HD1 TRP 457 -4.254 -7.431 3.201 222 HE1 TRP 457 HE1 TRP 457 -3.088 -9.377 1.985 223 HE3 TRP 457 HE3 TRP 457 -6.159 -6.716 -1.492 224 HZ2 TRP 457 HZ2 TRP 457 -2.994 -10.466 -0.612 225 HZ3 TRP 457 HZ3 TRP 457 -5.479 -8.256 -3.286 226 HH2 TRP 457 HH2 TRP 457 -3.928 -10.093 -2.853 227 H GLU 458 HN GLU 458 -5.525 -2.909 3.361 228 HA GLU 458 HA GLU 458 -7.605 -1.348 1.991 229 HB2 GLU 458 HB2 GLU 458 -8.110 -0.503 4.330 230 HB3 GLU 458 HB1 GLU 458 -8.492 -2.187 4.020 231 HG2 GLU 458 HG2 GLU 458 -5.877 -1.447 5.261 232 HG3 GLU 458 HG1 GLU 458 -7.343 -1.518 6.236 233 H LYS 459 HN LYS 459 -7.371 0.835 1.745 234 HA LYS 459 HA LYS 459 -4.800 1.932 1.596 235 HB2 LYS 459 HB2 LYS 459 -7.502 3.266 1.689 236 HB3 LYS 459 HB1 LYS 459 -6.007 4.134 1.382 237 HG2 LYS 459 HG2 LYS 459 -5.647 2.679 -0.606 238 HG3 LYS 459 HG1 LYS 459 -7.248 1.987 -0.323 239 HD2 LYS 459 HD2 LYS 459 -8.276 4.161 -0.596 240 HD3 LYS 459 HD1 LYS 459 -6.693 4.922 -0.757 241 HE2 LYS 459 HE2 LYS 459 -7.670 4.678 -2.937 242 HE3 LYS 459 HE1 LYS 459 -6.304 3.575 -2.796 243 HZ1 LYS 459 HZ1 LYS 459 -9.137 2.782 -2.404 244 HZ2 LYS 459 HZ2 LYS 459 -7.792 1.748 -2.462 245 HZ3 LYS 459 HZ3 LYS 459 -8.282 2.585 -3.856 246 HA PRO 460 HA PRO 460 -4.171 2.996 5.916 247 HB2 PRO 460 HB2 PRO 460 -1.789 4.254 5.492 248 HB3 PRO 460 HB1 PRO 460 -1.948 2.498 5.601 249 HG2 PRO 460 HG2 PRO 460 -1.770 4.232 3.169 250 HG3 PRO 460 HG1 PRO 460 -0.965 2.687 3.503 251 HD2 PRO 460 HD2 PRO 460 -3.158 2.846 1.950 252 HD3 PRO 460 HD1 PRO 460 -2.851 1.453 3.001 253 H GLN 461 HN GLN 461 -4.303 4.902 7.110 254 HA GLN 461 HA GLN 461 -5.635 7.078 5.847 255 HB2 GLN 461 HB2 GLN 461 -6.015 6.330 8.203 256 HB3 GLN 461 HB1 GLN 461 -4.434 6.969 8.622 257 HG2 GLN 461 HG2 GLN 461 -6.112 8.537 9.280 258 HG3 GLN 461 HG1 GLN 461 -5.193 9.212 7.937 259 HE21 GLN 461 HE21 GLN 461 -7.667 6.747 7.608 260 HE22 GLN 461 HE22 GLN 461 -8.801 7.742 6.760 261 H GLU 462 HN GLU 462 -2.394 6.288 6.062 262 HA GLU 462 HA GLU 462 -1.423 9.032 6.113 263 HB2 GLU 462 HB2 GLU 462 0.422 6.800 5.457 264 HB3 GLU 462 HB1 GLU 462 0.669 8.188 6.502 265 HG2 GLU 462 HG2 GLU 462 -0.801 5.648 7.152 266 HG3 GLU 462 HG1 GLU 462 0.728 6.205 7.824 267 H LEU 463 HN LEU 463 -2.708 6.972 3.875 268 HA LEU 463 HA LEU 463 -0.907 7.703 1.695 269 HB2 LEU 463 HB2 LEU 463 -1.705 5.349 1.993 270 HB3 LEU 463 HB1 LEU 463 -3.328 5.902 1.630 271 HG LEU 463 HG LEU 463 -2.490 6.660 -0.610 272 HD11 LEU 463 HD11 LEU 463 -0.130 6.865 -0.053 273 HD12 LEU 463 HD12 LEU 463 -0.363 5.746 -1.396 274 HD13 LEU 463 HD13 LEU 463 -0.032 5.126 0.221 275 HD21 LEU 463 HD21 LEU 463 -2.162 3.731 0.030 276 HD22 LEU 463 HD22 LEU 463 -2.448 4.417 -1.568 277 HD23 LEU 463 HD23 LEU 463 -3.686 4.546 -0.318 278 H LYS 464 HN LYS 464 -4.079 8.370 2.928 279 HA LYS 464 HA LYS 464 -4.816 9.808 0.495 280 HB2 LYS 464 HB2 LYS 464 -6.464 8.244 1.444 281 HB3 LYS 464 HB1 LYS 464 -6.457 9.152 2.948 282 HG2 LYS 464 HG2 LYS 464 -8.398 9.804 1.799 283 HG3 LYS 464 HG1 LYS 464 -7.261 11.137 1.621 284 HD2 LYS 464 HD2 LYS 464 -7.592 8.998 -0.472 285 HD3 LYS 464 HD1 LYS 464 -8.579 10.457 -0.448 286 HE2 LYS 464 HE2 LYS 464 -5.575 10.320 -0.698 287 HE3 LYS 464 HE1 LYS 464 -6.716 10.715 -1.980 288 HZ1 LYS 464 HZ1 LYS 464 -5.864 12.747 -1.210 289 HZ2 LYS 464 HZ2 LYS 464 -6.045 12.322 0.417 290 HZ3 LYS 464 HZ3 LYS 464 -7.415 12.640 -0.530
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