NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25769 | 2kbv | 16056 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 446 HA2 ACE 446 19.034 -0.108 -22.241 2 H2 ACE 446 HA3 ACE 446 20.286 0.078 -21.012 3 H3 ACE 446 HA1 ACE 446 19.813 1.457 -22.003 4 H LYS 447 HN LYS 447 18.294 -0.961 -19.850 5 HA LYS 447 HA LYS 447 16.953 1.217 -18.413 6 HB2 LYS 447 HB2 LYS 447 15.418 0.368 -20.228 7 HB3 LYS 447 HB1 LYS 447 15.430 -1.195 -19.411 8 HG2 LYS 447 HG2 LYS 447 14.637 -0.059 -17.328 9 HG3 LYS 447 HG1 LYS 447 14.504 1.444 -18.240 10 HD2 LYS 447 HD2 LYS 447 12.355 0.700 -18.546 11 HD3 LYS 447 HD1 LYS 447 13.109 -0.173 -19.882 12 HE2 LYS 447 HE2 LYS 447 13.563 -2.013 -18.069 13 HE3 LYS 447 HE1 LYS 447 12.268 -1.205 -17.187 14 HZ1 LYS 447 HZ1 LYS 447 10.841 -1.466 -19.123 15 HZ2 LYS 447 HZ2 LYS 447 11.402 -2.973 -18.574 16 HZ3 LYS 447 HZ3 LYS 447 12.086 -2.261 -19.957 17 H ASP 448 HN ASP 448 17.800 -2.199 -18.641 18 HA ASP 448 HA ASP 448 17.090 -2.833 -15.938 19 HB2 ASP 448 HB2 ASP 448 18.909 -4.257 -17.894 20 HB3 ASP 448 HB1 ASP 448 18.353 -4.922 -16.359 21 H GLN 449 HN GLN 449 20.156 -2.132 -17.600 22 HA GLN 449 HA GLN 449 21.947 -2.515 -15.535 23 HB2 GLN 449 HB2 GLN 449 21.925 -0.405 -17.701 24 HB3 GLN 449 HB1 GLN 449 23.299 -0.689 -16.632 25 HG2 GLN 449 HG2 GLN 449 22.184 -3.113 -17.906 26 HG3 GLN 449 HG1 GLN 449 22.940 -1.969 -19.013 27 HE21 GLN 449 HE21 GLN 449 23.665 -3.322 -15.735 28 HE22 GLN 449 HE22 GLN 449 25.311 -3.583 -16.059 29 H PHE 450 HN PHE 450 19.396 -0.272 -15.684 30 HA PHE 450 HA PHE 450 20.604 1.597 -13.790 31 HB2 PHE 450 HB2 PHE 450 17.869 1.515 -15.085 32 HB3 PHE 450 HB1 PHE 450 18.422 2.786 -13.994 33 HD1 PHE 450 HD1 PHE 450 19.082 1.129 -17.257 34 HD2 PHE 450 HD2 PHE 450 19.897 4.510 -14.736 35 HE1 PHE 450 HE1 PHE 450 20.207 2.269 -19.150 36 HE2 PHE 450 HE2 PHE 450 21.021 5.650 -16.630 37 HZ PHE 450 HZ PHE 450 21.176 4.530 -18.836 38 H ILE 451 HN ILE 451 18.109 -0.898 -13.908 39 HA ILE 451 HA ILE 451 17.153 -0.452 -11.245 40 HB ILE 451 HB ILE 451 16.885 -2.768 -13.168 41 HG12 ILE 451 HG12 ILE 451 14.626 -1.103 -12.142 42 HG13 ILE 451 HG11 ILE 451 15.719 -0.361 -13.311 43 HG21 ILE 451 HG21 ILE 451 16.540 -3.935 -11.214 44 HG22 ILE 451 HG22 ILE 451 14.936 -3.219 -11.377 45 HG23 ILE 451 HG23 ILE 451 16.124 -2.486 -10.298 46 HD11 ILE 451 HD11 ILE 451 14.663 -3.116 -13.853 47 HD12 ILE 451 HD12 ILE 451 15.165 -1.868 -14.994 48 HD13 ILE 451 HD13 ILE 451 13.622 -1.723 -14.153 49 H ILE 452 HN ILE 452 19.149 -3.052 -12.670 50 HA ILE 452 HA ILE 452 19.787 -4.346 -10.271 51 HB ILE 452 HB ILE 452 21.670 -5.326 -11.510 52 HG12 ILE 452 HG12 ILE 452 21.414 -4.282 -14.080 53 HG13 ILE 452 HG11 ILE 452 21.351 -2.857 -13.042 54 HG21 ILE 452 HG21 ILE 452 18.953 -5.478 -12.152 55 HG22 ILE 452 HG22 ILE 452 20.204 -6.624 -12.634 56 HG23 ILE 452 HG23 ILE 452 19.761 -5.299 -13.711 57 HD11 ILE 452 HD11 ILE 452 23.504 -4.992 -13.027 58 HD12 ILE 452 HD12 ILE 452 23.420 -3.643 -11.895 59 HD13 ILE 452 HD13 ILE 452 23.676 -3.337 -13.612 60 H ALA 453 HN ALA 453 20.618 -1.256 -11.258 61 HA ALA 453 HA ALA 453 23.197 -1.187 -9.889 62 HB1 ALA 453 HB1 ALA 453 23.425 0.269 -11.624 63 HB2 ALA 453 HB2 ALA 453 22.682 1.401 -10.493 64 HB3 ALA 453 HB3 ALA 453 21.694 0.595 -11.711 65 H TYR 454 HN TYR 454 19.859 -0.290 -9.379 66 HA TYR 454 HA TYR 454 20.521 0.427 -6.606 67 HB2 TYR 454 HB2 TYR 454 18.682 2.085 -8.347 68 HB3 TYR 454 HB1 TYR 454 19.118 2.402 -6.668 69 HD1 TYR 454 HD2 TYR 454 21.646 2.687 -6.138 70 HD2 TYR 454 HD1 TYR 454 19.984 2.975 -10.088 71 HE1 TYR 454 HE2 TYR 454 23.655 3.931 -6.893 72 HE2 TYR 454 HE1 TYR 454 21.992 4.219 -10.843 73 HH TYR 454 HH TYR 454 24.470 5.261 -8.567 74 H GLY 455 HN GLY 455 17.607 0.486 -8.664 75 HA2 GLY 455 HA2 GLY 455 15.708 -0.299 -6.894 76 HA3 GLY 455 HA1 GLY 455 15.690 -0.819 -8.576 77 H GLY 456 HN GLY 456 18.202 -2.322 -8.301 78 HA2 GLY 456 HA2 GLY 456 17.066 -4.718 -7.023 79 HA3 GLY 456 HA1 GLY 456 18.353 -4.702 -8.226 80 H LEU 457 HN LEU 457 20.198 -3.018 -7.284 81 HA LEU 457 HA LEU 457 21.376 -4.486 -5.126 82 HB2 LEU 457 HB2 LEU 457 22.843 -3.602 -6.802 83 HB3 LEU 457 HB1 LEU 457 22.195 -1.976 -6.602 84 HG LEU 457 HG LEU 457 23.178 -1.768 -4.410 85 HD11 LEU 457 HD11 LEU 457 24.618 -3.763 -3.594 86 HD12 LEU 457 HD12 LEU 457 23.673 -4.729 -4.727 87 HD13 LEU 457 HD13 LEU 457 22.869 -3.887 -3.403 88 HD21 LEU 457 HD21 LEU 457 24.662 -2.087 -6.737 89 HD22 LEU 457 HD22 LEU 457 25.507 -3.106 -5.570 90 HD23 LEU 457 HD23 LEU 457 25.252 -1.395 -5.227 91 H ARG 458 HN ARG 458 20.670 -0.994 -5.401 92 HA ARG 458 HA ARG 458 19.792 0.485 -3.861 93 HB2 ARG 458 HB2 ARG 458 18.422 -1.715 -3.253 94 HB3 ARG 458 HB1 ARG 458 19.413 -1.633 -1.796 95 HG2 ARG 458 HG2 ARG 458 17.608 -0.307 -1.168 96 HG3 ARG 458 HG1 ARG 458 18.702 0.911 -1.826 97 HD2 ARG 458 HD2 ARG 458 16.802 1.466 -3.003 98 HD3 ARG 458 HD1 ARG 458 17.461 0.254 -4.098 99 HE ARG 458 HE ARG 458 15.897 -1.207 -2.407 100 HH11 ARG 458 HH21 ARG 458 15.438 1.639 -4.321 101 HH12 ARG 458 HH22 ARG 458 13.754 1.347 -4.601 102 HH21 ARG 458 HH11 ARG 458 13.690 -1.598 -2.770 103 HH22 ARG 458 HH12 ARG 458 12.764 -0.486 -3.723 104 H GLY 459 HN GLY 459 22.513 0.171 -4.084 105 HA2 GLY 459 HA2 GLY 459 24.110 -0.461 -1.985 106 HA3 GLY 459 HA1 GLY 459 24.373 0.984 -2.958 107 H ALA 460 HN ALA 460 21.640 1.953 -2.002 108 HA ALA 460 HA ALA 460 22.456 3.734 -0.044 109 HB1 ALA 460 HB1 ALA 460 20.346 3.914 -1.351 110 HB2 ALA 460 HB2 ALA 460 20.098 4.148 0.380 111 HB3 ALA 460 HB3 ALA 460 19.664 2.614 -0.374 112 H ILE 461 HN ILE 461 21.525 0.405 0.264 113 HA ILE 461 HA ILE 461 21.291 0.601 3.174 114 HB ILE 461 HB ILE 461 20.851 -1.623 1.186 115 HG12 ILE 461 HG12 ILE 461 18.573 -1.540 2.114 116 HG13 ILE 461 HG11 ILE 461 19.073 -0.297 3.262 117 HG21 ILE 461 HG21 ILE 461 21.149 -1.721 4.182 118 HG22 ILE 461 HG22 ILE 461 21.842 -2.798 2.970 119 HG23 ILE 461 HG23 ILE 461 20.120 -2.879 3.338 120 HD11 ILE 461 HD11 ILE 461 19.482 0.127 0.312 121 HD12 ILE 461 HD12 ILE 461 19.321 1.329 1.593 122 HD13 ILE 461 HD13 ILE 461 17.906 0.435 1.039 123 H ALA 462 HN ALA 462 23.316 -0.969 0.717 124 HA ALA 462 HA ALA 462 25.058 -2.337 2.426 125 HB1 ALA 462 HB1 ALA 462 26.663 -2.237 0.529 126 HB2 ALA 462 HB2 ALA 462 25.595 -1.089 -0.278 127 HB3 ALA 462 HB3 ALA 462 25.047 -2.737 0.029 128 H PHE 463 HN PHE 463 25.102 1.013 1.292 129 HA PHE 463 HA PHE 463 27.656 1.679 2.342 130 HB2 PHE 463 HB2 PHE 463 27.169 3.460 1.069 131 HB3 PHE 463 HB1 PHE 463 25.454 3.049 1.048 132 HD1 PHE 463 HD2 PHE 463 23.919 3.929 2.742 133 HD2 PHE 463 HD1 PHE 463 28.084 4.977 2.747 134 HE1 PHE 463 HE2 PHE 463 23.451 5.781 4.325 135 HE2 PHE 463 HE1 PHE 463 27.618 6.828 4.329 136 HZ PHE 463 HZ PHE 463 25.301 7.230 5.119 137 H SER 464 HN SER 464 24.359 2.002 3.627 138 HA SER 464 HA SER 464 24.966 3.347 6.002 139 HB2 SER 464 HB2 SER 464 22.823 1.253 5.577 140 HB3 SER 464 HB1 SER 464 22.853 2.469 6.851 141 HG SER 464 HG SER 464 21.623 2.879 4.784 142 H LEU 465 HN LEU 465 24.875 -0.138 5.310 143 HA LEU 465 HA LEU 465 25.597 -0.917 7.970 144 HB2 LEU 465 HB2 LEU 465 25.517 -2.349 5.318 145 HB3 LEU 465 HB1 LEU 465 26.109 -3.135 6.782 146 HG LEU 465 HG LEU 465 23.556 -1.707 7.131 147 HD11 LEU 465 HD11 LEU 465 23.721 -4.172 5.371 148 HD12 LEU 465 HD12 LEU 465 23.233 -2.562 4.844 149 HD13 LEU 465 HD13 LEU 465 22.233 -3.455 5.988 150 HD21 LEU 465 HD21 LEU 465 23.020 -3.736 8.382 151 HD22 LEU 465 HD22 LEU 465 24.648 -3.207 8.810 152 HD23 LEU 465 HD23 LEU 465 24.423 -4.559 7.700 153 H GLY 466 HN GLY 466 27.361 -0.343 4.966 154 HA2 GLY 466 HA2 GLY 466 29.896 -1.160 6.146 155 HA3 GLY 466 HA1 GLY 466 29.645 -0.572 4.505 156 H TYR 467 HN TYR 467 28.020 1.499 6.477 157 HA TYR 467 HA TYR 467 30.057 3.546 6.206 158 HB2 TYR 467 HB2 TYR 467 28.068 4.582 5.823 159 HB3 TYR 467 HB1 TYR 467 27.165 3.446 6.825 160 HD1 TYR 467 HD1 TYR 467 29.662 6.227 7.063 161 HD2 TYR 467 HD2 TYR 467 26.479 4.072 8.980 162 HE1 TYR 467 HE1 TYR 467 29.681 7.860 8.931 163 HE2 TYR 467 HE2 TYR 467 26.497 5.704 10.847 164 HH TYR 467 HH TYR 467 27.717 7.369 11.819 165 H LEU 468 HN LEU 468 28.710 1.532 8.720 166 HA LEU 468 HA LEU 468 29.745 3.054 10.916 167 HB2 LEU 468 HB2 LEU 468 28.876 0.157 10.822 168 HB3 LEU 468 HB1 LEU 468 29.108 1.127 12.276 169 HG LEU 468 HG LEU 468 27.410 2.674 10.688 170 HD11 LEU 468 HD11 LEU 468 25.637 1.222 9.968 171 HD12 LEU 468 HD12 LEU 468 26.395 -0.179 10.726 172 HD13 LEU 468 HD13 LEU 468 27.131 0.559 9.304 173 HD21 LEU 468 HD21 LEU 468 26.753 0.743 12.937 174 HD22 LEU 468 HD22 LEU 468 25.733 2.084 12.417 175 HD23 LEU 468 HD23 LEU 468 27.312 2.404 13.136 176 H LEU 469 HN LEU 469 30.551 -0.321 10.152 177 HA LEU 469 HA LEU 469 32.962 -0.467 11.447 178 HB2 LEU 469 HB2 LEU 469 33.517 -2.333 10.012 179 HB3 LEU 469 HB1 LEU 469 31.783 -2.371 10.332 180 HG LEU 469 HG LEU 469 31.939 -0.776 8.084 181 HD11 LEU 469 HD11 LEU 469 34.402 -1.502 8.003 182 HD12 LEU 469 HD12 LEU 469 33.459 -1.757 6.534 183 HD13 LEU 469 HD13 LEU 469 33.799 -3.112 7.612 184 HD21 LEU 469 HD21 LEU 469 30.268 -2.463 8.308 185 HD22 LEU 469 HD22 LEU 469 31.473 -3.742 8.454 186 HD23 LEU 469 HD23 LEU 469 31.221 -2.941 6.904 187 H ASP 470 HN ASP 470 32.224 1.408 8.699 188 HA ASP 470 HA ASP 470 34.922 1.550 7.660 189 HB2 ASP 470 HB2 ASP 470 33.337 1.913 5.991 190 HB3 ASP 470 HB1 ASP 470 32.320 2.906 7.032 191 H LYS 471 HN LYS 471 32.742 3.718 9.458 192 HA LYS 471 HA LYS 471 34.944 5.585 9.928 193 HB2 LYS 471 HB2 LYS 471 31.977 5.663 10.436 194 HB3 LYS 471 HB1 LYS 471 33.063 6.853 11.153 195 HG2 LYS 471 HG2 LYS 471 33.276 6.288 8.216 196 HG3 LYS 471 HG1 LYS 471 31.955 7.305 8.790 197 HD2 LYS 471 HD2 LYS 471 34.677 7.911 9.849 198 HD3 LYS 471 HD1 LYS 471 34.368 8.312 8.159 199 HE2 LYS 471 HE2 LYS 471 33.823 10.109 9.952 200 HE3 LYS 471 HE1 LYS 471 32.620 9.796 8.701 201 HZ1 LYS 471 HZ1 LYS 471 31.471 8.316 10.215 202 HZ2 LYS 471 HZ2 LYS 471 31.625 9.861 10.903 203 HZ3 LYS 471 HZ3 LYS 471 32.635 8.595 11.416 204 H LYS 472 HN LYS 472 32.684 3.553 11.773 205 HA LYS 472 HA LYS 472 34.030 4.140 14.276 206 HB2 LYS 472 HB2 LYS 472 31.799 2.216 13.582 207 HB3 LYS 472 HB1 LYS 472 32.400 2.507 15.216 208 HG2 LYS 472 HG2 LYS 472 31.635 4.891 13.593 209 HG3 LYS 472 HG1 LYS 472 30.330 3.880 14.214 210 HD2 LYS 472 HD2 LYS 472 31.067 4.166 16.478 211 HD3 LYS 472 HD1 LYS 472 32.580 4.909 15.957 212 HE2 LYS 472 HE2 LYS 472 31.508 6.897 15.271 213 HE3 LYS 472 HE1 LYS 472 29.920 6.130 15.233 214 HZ1 LYS 472 HZ1 LYS 472 31.474 6.389 17.736 215 HZ2 LYS 472 HZ2 LYS 472 29.814 6.075 17.551 216 HZ3 LYS 472 HZ3 LYS 472 30.435 7.617 17.200 217 HN1 NH2 473 H1 NH2 473 34.447 1.837 11.734 218 HN2 NH2 473 H2 NH2 473 35.454 0.767 12.585 Start of MODEL 2 1 H1 ACE 446 HA2 ACE 446 18.613 2.268 -21.757 2 H2 ACE 446 HA3 ACE 446 18.351 0.524 -21.708 3 H3 ACE 446 HA1 ACE 446 19.769 1.224 -20.928 4 H LYS 447 HN LYS 447 17.753 -0.456 -19.697 5 HA LYS 447 HA LYS 447 16.896 1.390 -17.569 6 HB2 LYS 447 HB2 LYS 447 15.175 -0.554 -19.089 7 HB3 LYS 447 HB1 LYS 447 14.778 -0.095 -17.432 8 HG2 LYS 447 HG2 LYS 447 14.596 2.222 -18.024 9 HG3 LYS 447 HG1 LYS 447 15.296 1.935 -19.617 10 HD2 LYS 447 HD2 LYS 447 12.816 2.176 -19.699 11 HD3 LYS 447 HD1 LYS 447 13.357 0.596 -20.266 12 HE2 LYS 447 HE2 LYS 447 12.617 -0.498 -18.336 13 HE3 LYS 447 HE1 LYS 447 12.655 0.976 -17.369 14 HZ1 LYS 447 HZ1 LYS 447 10.584 1.475 -17.953 15 HZ2 LYS 447 HZ2 LYS 447 10.458 -0.105 -18.569 16 HZ3 LYS 447 HZ3 LYS 447 10.878 1.181 -19.598 17 H ASP 448 HN ASP 448 17.612 -1.893 -18.625 18 HA ASP 448 HA ASP 448 17.387 -3.179 -16.121 19 HB2 ASP 448 HB2 ASP 448 17.528 -4.698 -17.849 20 HB3 ASP 448 HB1 ASP 448 18.763 -3.777 -18.704 21 H GLN 449 HN GLN 449 20.222 -1.796 -17.786 22 HA GLN 449 HA GLN 449 22.146 -2.386 -15.854 23 HB2 GLN 449 HB2 GLN 449 21.955 -0.008 -17.718 24 HB3 GLN 449 HB1 GLN 449 23.396 -0.446 -16.801 25 HG2 GLN 449 HG2 GLN 449 23.961 -1.974 -18.348 26 HG3 GLN 449 HG1 GLN 449 22.402 -2.775 -18.161 27 HE21 GLN 449 HE21 GLN 449 21.537 -3.001 -20.233 28 HE22 GLN 449 HE22 GLN 449 21.492 -1.768 -21.400 29 H PHE 450 HN PHE 450 19.535 -0.170 -15.746 30 HA PHE 450 HA PHE 450 20.719 1.440 -13.615 31 HB2 PHE 450 HB2 PHE 450 17.967 1.559 -14.874 32 HB3 PHE 450 HB1 PHE 450 18.632 2.729 -13.733 33 HD1 PHE 450 HD2 PHE 450 19.187 1.192 -17.089 34 HD2 PHE 450 HD1 PHE 450 20.033 4.490 -14.468 35 HE1 PHE 450 HE2 PHE 450 20.281 2.398 -18.960 36 HE2 PHE 450 HE1 PHE 450 21.128 5.696 -16.340 37 HZ PHE 450 HZ PHE 450 21.252 4.650 -18.584 38 H ILE 451 HN ILE 451 17.958 -0.754 -14.093 39 HA ILE 451 HA ILE 451 16.878 -0.719 -11.544 40 HB ILE 451 HB ILE 451 17.095 -2.910 -13.601 41 HG12 ILE 451 HG12 ILE 451 14.568 -1.668 -12.575 42 HG13 ILE 451 HG11 ILE 451 15.587 -0.720 -13.658 43 HG21 ILE 451 HG21 ILE 451 16.013 -2.997 -10.800 44 HG22 ILE 451 HG22 ILE 451 16.899 -4.235 -11.690 45 HG23 ILE 451 HG23 ILE 451 15.206 -3.919 -12.067 46 HD11 ILE 451 HD11 ILE 451 13.742 -2.249 -14.696 47 HD12 ILE 451 HD12 ILE 451 14.874 -3.558 -14.355 48 HD13 ILE 451 HD13 ILE 451 15.348 -2.240 -15.427 49 H ILE 452 HN ILE 452 19.140 -3.220 -12.727 50 HA ILE 452 HA ILE 452 19.687 -4.425 -10.295 51 HB ILE 452 HB ILE 452 21.709 -5.282 -11.315 52 HG12 ILE 452 HG12 ILE 452 21.323 -2.939 -13.192 53 HG13 ILE 452 HG11 ILE 452 22.738 -3.324 -12.212 54 HG21 ILE 452 HG21 ILE 452 20.677 -6.429 -13.035 55 HG22 ILE 452 HG22 ILE 452 19.934 -4.974 -13.700 56 HG23 ILE 452 HG23 ILE 452 19.253 -5.732 -12.259 57 HD11 ILE 452 HD11 ILE 452 23.412 -4.084 -14.311 58 HD12 ILE 452 HD12 ILE 452 21.789 -4.616 -14.751 59 HD13 ILE 452 HD13 ILE 452 22.745 -5.555 -13.604 60 H ALA 453 HN ALA 453 21.055 -1.496 -11.690 61 HA ALA 453 HA ALA 453 23.141 -1.179 -9.767 62 HB1 ALA 453 HB1 ALA 453 21.797 0.975 -11.412 63 HB2 ALA 453 HB2 ALA 453 23.076 -0.076 -12.022 64 HB3 ALA 453 HB3 ALA 453 23.406 1.033 -10.690 65 H TYR 454 HN TYR 454 19.747 -0.510 -9.787 66 HA TYR 454 HA TYR 454 19.882 1.358 -7.559 67 HB2 TYR 454 HB2 TYR 454 17.849 0.450 -9.470 68 HB3 TYR 454 HB1 TYR 454 17.236 0.657 -7.829 69 HD1 TYR 454 HD1 TYR 454 19.902 2.467 -9.746 70 HD2 TYR 454 HD2 TYR 454 16.125 2.716 -7.715 71 HE1 TYR 454 HE1 TYR 454 19.896 4.926 -10.059 72 HE2 TYR 454 HE2 TYR 454 16.119 5.176 -8.028 73 HH TYR 454 HH TYR 454 18.490 6.777 -10.042 74 H GLY 455 HN GLY 455 19.206 -2.029 -8.149 75 HA2 GLY 455 HA2 GLY 455 19.623 -3.643 -6.399 76 HA3 GLY 455 HA1 GLY 455 19.052 -2.456 -5.229 77 H GLY 456 HN GLY 456 17.397 -2.945 -8.260 78 HA2 GLY 456 HA2 GLY 456 15.180 -3.477 -8.657 79 HA3 GLY 456 HA1 GLY 456 15.604 -4.947 -7.786 80 H LEU 457 HN LEU 457 14.630 -1.570 -7.227 81 HA LEU 457 HA LEU 457 12.967 -2.504 -4.971 82 HB2 LEU 457 HB2 LEU 457 13.530 -0.389 -3.785 83 HB3 LEU 457 HB1 LEU 457 14.925 -1.446 -4.003 84 HG LEU 457 HG LEU 457 14.772 0.168 -6.325 85 HD11 LEU 457 HD11 LEU 457 14.655 1.821 -3.786 86 HD12 LEU 457 HD12 LEU 457 13.313 1.657 -4.920 87 HD13 LEU 457 HD13 LEU 457 14.815 2.425 -5.435 88 HD21 LEU 457 HD21 LEU 457 16.804 -0.761 -5.235 89 HD22 LEU 457 HD22 LEU 457 16.589 0.374 -3.901 90 HD23 LEU 457 HD23 LEU 457 16.950 0.973 -5.520 91 H ARG 458 HN ARG 458 13.474 -0.274 -7.619 92 HA ARG 458 HA ARG 458 11.528 1.591 -7.383 93 HB2 ARG 458 HB2 ARG 458 11.318 1.620 -9.801 94 HB3 ARG 458 HB1 ARG 458 13.001 1.367 -9.360 95 HG2 ARG 458 HG2 ARG 458 11.075 -0.857 -10.122 96 HG3 ARG 458 HG1 ARG 458 12.236 -0.124 -11.217 97 HD2 ARG 458 HD2 ARG 458 13.482 -1.920 -10.498 98 HD3 ARG 458 HD1 ARG 458 13.944 -0.749 -9.271 99 HE ARG 458 HE ARG 458 12.822 -2.043 -7.707 100 HH11 ARG 458 HH21 ARG 458 11.819 -2.841 -10.922 101 HH12 ARG 458 HH22 ARG 458 10.858 -4.196 -10.434 102 HH21 ARG 458 HH11 ARG 458 11.563 -3.819 -7.058 103 HH22 ARG 458 HH12 ARG 458 10.712 -4.749 -8.247 104 H GLY 459 HN GLY 459 11.048 -1.808 -7.609 105 HA2 GLY 459 HA2 GLY 459 8.475 -2.024 -8.633 106 HA3 GLY 459 HA1 GLY 459 9.156 -3.100 -7.418 107 H ALA 460 HN ALA 460 9.540 -1.093 -5.397 108 HA ALA 460 HA ALA 460 6.858 -1.042 -4.321 109 HB1 ALA 460 HB1 ALA 460 9.379 -1.185 -3.211 110 HB2 ALA 460 HB2 ALA 460 7.887 -0.872 -2.323 111 HB3 ALA 460 HB3 ALA 460 8.891 0.474 -2.861 112 H ILE 461 HN ILE 461 8.723 1.026 -6.240 113 HA ILE 461 HA ILE 461 7.429 3.470 -5.292 114 HB ILE 461 HB ILE 461 9.571 2.886 -7.326 115 HG12 ILE 461 HG12 ILE 461 10.886 4.352 -5.861 116 HG13 ILE 461 HG11 ILE 461 9.463 4.658 -4.864 117 HG21 ILE 461 HG21 ILE 461 9.535 5.529 -7.418 118 HG22 ILE 461 HG22 ILE 461 7.837 5.309 -6.993 119 HG23 ILE 461 HG23 ILE 461 8.476 4.590 -8.471 120 HD11 ILE 461 HD11 ILE 461 11.157 2.830 -4.090 121 HD12 ILE 461 HD12 ILE 461 10.404 1.838 -5.339 122 HD13 ILE 461 HD13 ILE 461 9.432 2.471 -4.010 123 H ALA 462 HN ALA 462 7.646 1.535 -8.271 124 HA ALA 462 HA ALA 462 5.869 3.051 -9.826 125 HB1 ALA 462 HB1 ALA 462 6.821 0.213 -9.882 126 HB2 ALA 462 HB2 ALA 462 7.056 1.496 -11.068 127 HB3 ALA 462 HB3 ALA 462 5.492 0.694 -10.936 128 H PHE 463 HN PHE 463 5.297 0.489 -7.471 129 HA PHE 463 HA PHE 463 2.560 0.060 -8.047 130 HB2 PHE 463 HB2 PHE 463 3.036 -1.590 -6.603 131 HB3 PHE 463 HB1 PHE 463 4.468 -0.745 -6.014 132 HD1 PHE 463 HD1 PHE 463 4.252 0.979 -4.213 133 HD2 PHE 463 HD2 PHE 463 0.956 -1.499 -5.412 134 HE1 PHE 463 HE1 PHE 463 3.053 1.563 -2.122 135 HE2 PHE 463 HE2 PHE 463 -0.243 -0.916 -3.320 136 HZ PHE 463 HZ PHE 463 0.806 0.615 -1.675 137 H SER 464 HN SER 464 4.226 2.282 -5.850 138 HA SER 464 HA SER 464 1.865 3.331 -4.655 139 HB2 SER 464 HB2 SER 464 3.744 3.756 -3.369 140 HB3 SER 464 HB1 SER 464 4.743 4.137 -4.768 141 HG SER 464 HG SER 464 2.519 5.728 -4.071 142 H LEU 465 HN LEU 465 3.196 3.677 -7.736 143 HA LEU 465 HA LEU 465 2.171 6.373 -8.177 144 HB2 LEU 465 HB2 LEU 465 3.990 4.528 -9.564 145 HB3 LEU 465 HB1 LEU 465 2.915 5.410 -10.646 146 HG LEU 465 HG LEU 465 5.089 6.591 -10.177 147 HD11 LEU 465 HD11 LEU 465 3.388 8.560 -8.989 148 HD12 LEU 465 HD12 LEU 465 2.427 7.628 -10.136 149 HD13 LEU 465 HD13 LEU 465 3.902 8.433 -10.670 150 HD21 LEU 465 HD21 LEU 465 4.665 5.785 -7.593 151 HD22 LEU 465 HD22 LEU 465 4.141 7.467 -7.522 152 HD23 LEU 465 HD23 LEU 465 5.773 7.075 -8.061 153 H GLY 466 HN GLY 466 1.647 3.114 -9.538 154 HA2 GLY 466 HA2 GLY 466 -0.798 3.981 -10.849 155 HA3 GLY 466 HA1 GLY 466 -0.088 2.373 -10.918 156 H TYR 467 HN TYR 467 -0.071 3.224 -7.748 157 HA TYR 467 HA TYR 467 -2.090 1.376 -7.007 158 HB2 TYR 467 HB2 TYR 467 -0.609 1.557 -5.285 159 HB3 TYR 467 HB1 TYR 467 -0.271 3.257 -5.617 160 HD1 TYR 467 HD1 TYR 467 -2.946 0.987 -4.316 161 HD2 TYR 467 HD2 TYR 467 -1.264 4.940 -4.314 162 HE1 TYR 467 HE1 TYR 467 -4.515 1.654 -2.513 163 HE2 TYR 467 HE2 TYR 467 -2.832 5.607 -2.512 164 HH TYR 467 HH TYR 467 -4.198 3.934 -0.552 165 H LEU 468 HN LEU 468 -2.041 4.875 -7.379 166 HA LEU 468 HA LEU 468 -4.531 5.399 -6.127 167 HB2 LEU 468 HB2 LEU 468 -3.097 6.963 -8.286 168 HB3 LEU 468 HB1 LEU 468 -4.415 7.565 -7.281 169 HG LEU 468 HG LEU 468 -2.582 6.516 -5.452 170 HD11 LEU 468 HD11 LEU 468 -0.893 6.404 -7.244 171 HD12 LEU 468 HD12 LEU 468 -0.463 7.638 -6.058 172 HD13 LEU 468 HD13 LEU 468 -1.161 8.107 -7.609 173 HD21 LEU 468 HD21 LEU 468 -2.944 9.376 -6.402 174 HD22 LEU 468 HD22 LEU 468 -2.253 8.890 -4.854 175 HD23 LEU 468 HD23 LEU 468 -3.950 8.561 -5.206 176 H LEU 469 HN LEU 469 -3.905 5.855 -9.599 177 HA LEU 469 HA LEU 469 -6.514 5.762 -10.466 178 HB2 LEU 469 HB2 LEU 469 -5.654 5.198 -12.669 179 HB3 LEU 469 HB1 LEU 469 -4.562 6.346 -11.892 180 HG LEU 469 HG LEU 469 -3.561 3.916 -11.051 181 HD11 LEU 469 HD11 LEU 469 -4.170 3.611 -13.995 182 HD12 LEU 469 HD12 LEU 469 -5.197 2.898 -12.752 183 HD13 LEU 469 HD13 LEU 469 -3.509 2.407 -12.890 184 HD21 LEU 469 HD21 LEU 469 -2.864 5.715 -13.381 185 HD22 LEU 469 HD22 LEU 469 -1.845 4.355 -12.912 186 HD23 LEU 469 HD23 LEU 469 -2.126 5.678 -11.780 187 H ASP 470 HN ASP 470 -4.666 3.198 -9.177 188 HA ASP 470 HA ASP 470 -6.147 1.064 -10.456 189 HB2 ASP 470 HB2 ASP 470 -3.943 0.466 -9.867 190 HB3 ASP 470 HB1 ASP 470 -4.088 1.178 -8.261 191 H LYS 471 HN LYS 471 -6.033 2.585 -7.249 192 HA LYS 471 HA LYS 471 -8.397 1.048 -6.425 193 HB2 LYS 471 HB2 LYS 471 -6.585 2.912 -4.871 194 HB3 LYS 471 HB1 LYS 471 -7.945 2.019 -4.190 195 HG2 LYS 471 HG2 LYS 471 -6.382 0.146 -5.640 196 HG3 LYS 471 HG1 LYS 471 -5.264 1.100 -4.667 197 HD2 LYS 471 HD2 LYS 471 -6.639 0.666 -2.661 198 HD3 LYS 471 HD1 LYS 471 -7.745 -0.305 -3.634 199 HE2 LYS 471 HE2 LYS 471 -5.109 -1.253 -4.149 200 HE3 LYS 471 HE1 LYS 471 -5.289 -1.116 -2.399 201 HZ1 LYS 471 HZ1 LYS 471 -6.035 -3.271 -3.386 202 HZ2 LYS 471 HZ2 LYS 471 -7.300 -2.424 -4.140 203 HZ3 LYS 471 HZ3 LYS 471 -7.203 -2.478 -2.445 204 H LYS 472 HN LYS 472 -7.282 4.426 -6.637 205 HA LYS 472 HA LYS 472 -9.751 5.607 -5.926 206 HB2 LYS 472 HB2 LYS 472 -7.235 6.534 -7.231 207 HB3 LYS 472 HB1 LYS 472 -8.667 7.553 -7.386 208 HG2 LYS 472 HG2 LYS 472 -7.322 8.147 -5.383 209 HG3 LYS 472 HG1 LYS 472 -8.938 7.585 -4.949 210 HD2 LYS 472 HD2 LYS 472 -8.147 5.489 -4.217 211 HD3 LYS 472 HD1 LYS 472 -6.618 5.665 -5.082 212 HE2 LYS 472 HE2 LYS 472 -5.673 6.911 -3.421 213 HE3 LYS 472 HE1 LYS 472 -7.176 7.763 -3.071 214 HZ1 LYS 472 HZ1 LYS 472 -6.168 5.969 -1.439 215 HZ2 LYS 472 HZ2 LYS 472 -7.069 4.919 -2.426 216 HZ3 LYS 472 HZ3 LYS 472 -7.841 6.192 -1.606 217 HN1 NH2 473 H1 NH2 473 -11.467 6.412 -7.271 218 HN2 NH2 473 H2 NH2 473 -11.637 5.946 -8.894 Start of MODEL 3 1 H1 ACE 446 HA2 ACE 446 19.413 1.345 -21.625 2 H2 ACE 446 HA3 ACE 446 20.464 0.998 -20.252 3 H3 ACE 446 HA1 ACE 446 20.160 2.668 -20.729 4 H LYS 447 HN LYS 447 18.436 -0.268 -19.667 5 HA LYS 447 HA LYS 447 16.770 1.417 -17.923 6 HB2 LYS 447 HB2 LYS 447 15.639 0.789 -20.174 7 HB3 LYS 447 HB1 LYS 447 15.526 -0.830 -19.485 8 HG2 LYS 447 HG2 LYS 447 14.494 0.314 -17.418 9 HG3 LYS 447 HG1 LYS 447 14.296 1.727 -18.456 10 HD2 LYS 447 HD2 LYS 447 12.290 0.716 -18.921 11 HD3 LYS 447 HD1 LYS 447 13.278 -0.153 -20.096 12 HE2 LYS 447 HE2 LYS 447 12.137 -1.874 -18.949 13 HE3 LYS 447 HE1 LYS 447 13.721 -1.833 -18.173 14 HZ1 LYS 447 HZ1 LYS 447 11.312 -1.601 -16.918 15 HZ2 LYS 447 HZ2 LYS 447 11.877 -0.000 -16.985 16 HZ3 LYS 447 HZ3 LYS 447 12.823 -1.208 -16.256 17 H ASP 448 HN ASP 448 17.679 -1.892 -18.859 18 HA ASP 448 HA ASP 448 16.944 -2.959 -16.268 19 HB2 ASP 448 HB2 ASP 448 17.968 -5.065 -17.196 20 HB3 ASP 448 HB1 ASP 448 16.643 -4.408 -18.157 21 H GLN 449 HN GLN 449 19.626 -1.361 -17.566 22 HA GLN 449 HA GLN 449 21.578 -2.658 -15.825 23 HB2 GLN 449 HB2 GLN 449 21.777 -0.429 -17.856 24 HB3 GLN 449 HB1 GLN 449 23.132 -0.935 -16.846 25 HG2 GLN 449 HG2 GLN 449 22.856 -3.261 -17.708 26 HG3 GLN 449 HG1 GLN 449 21.591 -2.679 -18.789 27 HE21 GLN 449 HE21 GLN 449 24.968 -1.710 -17.916 28 HE22 GLN 449 HE22 GLN 449 25.440 -1.408 -19.519 29 H PHE 450 HN PHE 450 19.363 -0.084 -15.703 30 HA PHE 450 HA PHE 450 20.884 1.466 -13.751 31 HB2 PHE 450 HB2 PHE 450 19.655 3.115 -14.641 32 HB3 PHE 450 HB1 PHE 450 18.660 1.957 -15.522 33 HD1 PHE 450 HD2 PHE 450 19.097 3.650 -12.237 34 HD2 PHE 450 HD1 PHE 450 16.478 1.368 -14.762 35 HE1 PHE 450 HE2 PHE 450 17.219 4.075 -10.673 36 HE2 PHE 450 HE1 PHE 450 14.600 1.791 -13.200 37 HZ PHE 450 HZ PHE 450 14.971 3.145 -11.153 38 H ILE 451 HN ILE 451 18.350 -0.918 -13.879 39 HA ILE 451 HA ILE 451 17.310 -0.469 -11.253 40 HB ILE 451 HB ILE 451 17.126 -2.717 -13.245 41 HG12 ILE 451 HG12 ILE 451 14.904 -1.174 -11.909 42 HG13 ILE 451 HG11 ILE 451 15.779 -0.486 -13.277 43 HG21 ILE 451 HG21 ILE 451 15.399 -3.618 -11.502 44 HG22 ILE 451 HG22 ILE 451 16.348 -2.697 -10.336 45 HG23 ILE 451 HG23 ILE 451 17.108 -3.984 -11.270 46 HD11 ILE 451 HD11 ILE 451 13.763 -1.687 -14.039 47 HD12 ILE 451 HD12 ILE 451 14.348 -3.160 -13.267 48 HD13 ILE 451 HD13 ILE 451 15.227 -2.472 -14.633 49 H ILE 452 HN ILE 452 19.333 -3.117 -12.550 50 HA ILE 452 HA ILE 452 19.958 -4.355 -10.152 51 HB ILE 452 HB ILE 452 21.924 -5.258 -11.291 52 HG12 ILE 452 HG12 ILE 452 21.358 -2.993 -13.218 53 HG13 ILE 452 HG11 ILE 452 22.856 -3.328 -12.350 54 HG21 ILE 452 HG21 ILE 452 19.399 -5.749 -11.962 55 HG22 ILE 452 HG22 ILE 452 20.731 -6.448 -12.884 56 HG23 ILE 452 HG23 ILE 452 19.901 -5.012 -13.485 57 HD11 ILE 452 HD11 ILE 452 21.673 -4.802 -14.696 58 HD12 ILE 452 HD12 ILE 452 22.829 -5.593 -13.625 59 HD13 ILE 452 HD13 ILE 452 23.299 -4.144 -14.514 60 H ALA 453 HN ALA 453 20.809 -1.240 -11.166 61 HA ALA 453 HA ALA 453 23.239 -1.090 -9.554 62 HB1 ALA 453 HB1 ALA 453 22.000 1.362 -10.686 63 HB2 ALA 453 HB2 ALA 453 22.589 0.164 -11.838 64 HB3 ALA 453 HB3 ALA 453 23.691 0.863 -10.653 65 H TYR 454 HN TYR 454 19.856 -0.271 -9.375 66 HA TYR 454 HA TYR 454 20.258 0.606 -6.597 67 HB2 TYR 454 HB2 TYR 454 18.615 2.091 -8.661 68 HB3 TYR 454 HB1 TYR 454 18.633 2.448 -6.933 69 HD1 TYR 454 HD2 TYR 454 20.946 2.924 -5.852 70 HD2 TYR 454 HD1 TYR 454 20.210 3.070 -10.081 71 HE1 TYR 454 HE2 TYR 454 22.978 4.313 -6.158 72 HE2 TYR 454 HE1 TYR 454 22.241 4.458 -10.388 73 HH TYR 454 HH TYR 454 23.647 5.977 -9.047 74 H GLY 455 HN GLY 455 17.501 0.442 -8.852 75 HA2 GLY 455 HA2 GLY 455 15.525 -0.373 -7.182 76 HA3 GLY 455 HA1 GLY 455 15.641 -0.944 -8.845 77 H GLY 456 HN GLY 456 18.243 -2.278 -8.264 78 HA2 GLY 456 HA2 GLY 456 17.111 -4.720 -7.075 79 HA3 GLY 456 HA1 GLY 456 18.534 -4.639 -8.109 80 H LEU 457 HN LEU 457 19.968 -2.610 -6.873 81 HA LEU 457 HA LEU 457 20.942 -4.021 -4.521 82 HB2 LEU 457 HB2 LEU 457 22.630 -3.281 -6.055 83 HB3 LEU 457 HB1 LEU 457 21.970 -1.648 -6.088 84 HG LEU 457 HG LEU 457 22.643 -1.242 -3.810 85 HD11 LEU 457 HD11 LEU 457 23.941 -3.146 -2.627 86 HD12 LEU 457 HD12 LEU 457 23.163 -4.216 -3.793 87 HD13 LEU 457 HD13 LEU 457 22.183 -3.268 -2.675 88 HD21 LEU 457 HD21 LEU 457 24.414 -1.634 -5.854 89 HD22 LEU 457 HD22 LEU 457 25.073 -2.714 -4.625 90 HD23 LEU 457 HD23 LEU 457 24.860 -1.001 -4.271 91 H ARG 458 HN ARG 458 20.428 -0.548 -5.160 92 HA ARG 458 HA ARG 458 19.466 1.105 -3.882 93 HB2 ARG 458 HB2 ARG 458 17.704 -0.831 -3.612 94 HB3 ARG 458 HB1 ARG 458 18.351 -0.914 -1.973 95 HG2 ARG 458 HG2 ARG 458 16.714 0.681 -1.642 96 HG3 ARG 458 HG1 ARG 458 18.050 1.734 -2.115 97 HD2 ARG 458 HD2 ARG 458 17.238 1.495 -4.511 98 HD3 ARG 458 HD1 ARG 458 15.796 0.721 -3.860 99 HE ARG 458 HE ARG 458 15.049 2.814 -3.201 100 HH11 ARG 458 HH21 ARG 458 18.455 2.855 -3.809 101 HH12 ARG 458 HH22 ARG 458 18.608 4.570 -3.618 102 HH21 ARG 458 HH11 ARG 458 15.242 5.064 -2.948 103 HH22 ARG 458 HH12 ARG 458 16.789 5.820 -3.130 104 H GLY 459 HN GLY 459 22.082 0.615 -3.424 105 HA2 GLY 459 HA2 GLY 459 23.016 -0.124 -0.953 106 HA3 GLY 459 HA1 GLY 459 23.713 1.190 -1.893 107 H ALA 460 HN ALA 460 20.830 2.395 -1.630 108 HA ALA 460 HA ALA 460 21.419 4.295 0.338 109 HB1 ALA 460 HB1 ALA 460 18.613 4.110 0.196 110 HB2 ALA 460 HB2 ALA 460 19.208 3.667 -1.404 111 HB3 ALA 460 HB3 ALA 460 19.657 5.218 -0.694 112 H ILE 461 HN ILE 461 20.371 1.066 0.651 113 HA ILE 461 HA ILE 461 19.225 1.473 3.313 114 HB ILE 461 HB ILE 461 19.438 -0.865 1.437 115 HG12 ILE 461 HG12 ILE 461 17.027 -0.866 1.672 116 HG13 ILE 461 HG11 ILE 461 17.110 0.305 2.989 117 HG21 ILE 461 HG21 ILE 461 18.247 -2.094 3.406 118 HG22 ILE 461 HG22 ILE 461 19.024 -0.877 4.419 119 HG23 ILE 461 HG23 ILE 461 20.006 -1.960 3.435 120 HD11 ILE 461 HD11 ILE 461 16.521 1.218 0.653 121 HD12 ILE 461 HD12 ILE 461 18.213 0.928 0.248 122 HD13 ILE 461 HD13 ILE 461 17.796 2.054 1.541 123 H ALA 462 HN ALA 462 21.832 -0.463 1.832 124 HA ALA 462 HA ALA 462 22.987 -1.450 4.155 125 HB1 ALA 462 HB1 ALA 462 23.701 -1.236 1.383 126 HB2 ALA 462 HB2 ALA 462 24.273 -2.392 2.585 127 HB3 ALA 462 HB3 ALA 462 25.105 -0.851 2.379 128 H PHE 463 HN PHE 463 23.432 1.690 2.590 129 HA PHE 463 HA PHE 463 25.592 2.555 4.225 130 HB2 PHE 463 HB2 PHE 463 25.559 4.180 2.687 131 HB3 PHE 463 HB1 PHE 463 23.989 3.630 2.103 132 HD1 PHE 463 HD2 PHE 463 25.608 5.678 4.777 133 HD2 PHE 463 HD1 PHE 463 22.038 4.884 2.524 134 HE1 PHE 463 HE2 PHE 463 24.531 7.674 5.780 135 HE2 PHE 463 HE1 PHE 463 20.961 6.880 3.528 136 HZ PHE 463 HZ PHE 463 22.208 8.275 5.156 137 H SER 464 HN SER 464 22.075 2.863 4.474 138 HA SER 464 HA SER 464 22.089 4.563 6.756 139 HB2 SER 464 HB2 SER 464 19.711 3.954 6.944 140 HB3 SER 464 HB1 SER 464 20.134 4.372 5.286 141 HG SER 464 HG SER 464 20.305 2.147 4.847 142 H LEU 465 HN LEU 465 22.834 1.287 6.340 143 HA LEU 465 HA LEU 465 22.006 0.441 8.995 144 HB2 LEU 465 HB2 LEU 465 23.005 -0.836 6.552 145 HB3 LEU 465 HB1 LEU 465 23.707 -1.510 8.020 146 HG LEU 465 HG LEU 465 21.583 -2.644 7.308 147 HD11 LEU 465 HD11 LEU 465 21.399 -3.140 9.492 148 HD12 LEU 465 HD12 LEU 465 20.575 -1.606 9.779 149 HD13 LEU 465 HD13 LEU 465 22.331 -1.698 9.895 150 HD21 LEU 465 HD21 LEU 465 19.660 -1.492 6.939 151 HD22 LEU 465 HD22 LEU 465 20.710 -0.083 6.808 152 HD23 LEU 465 HD23 LEU 465 19.912 -0.447 8.338 153 H GLY 466 HN GLY 466 25.076 0.938 7.258 154 HA2 GLY 466 HA2 GLY 466 26.664 0.542 9.634 155 HA3 GLY 466 HA1 GLY 466 27.249 1.072 8.058 156 H TYR 467 HN TYR 467 24.678 2.999 8.764 157 HA TYR 467 HA TYR 467 26.427 5.193 9.584 158 HB2 TYR 467 HB2 TYR 467 25.055 5.862 7.812 159 HB3 TYR 467 HB1 TYR 467 23.649 5.012 8.454 160 HD1 TYR 467 HD2 TYR 467 25.885 7.936 8.952 161 HD2 TYR 467 HD1 TYR 467 22.198 6.033 10.056 162 HE1 TYR 467 HE2 TYR 467 25.174 9.997 10.136 163 HE2 TYR 467 HE1 TYR 467 21.489 8.088 11.244 164 HH TYR 467 HH TYR 467 22.083 10.125 11.906 165 H LEU 468 HN LEU 468 23.492 3.513 10.671 166 HA LEU 468 HA LEU 468 22.987 5.085 12.950 167 HB2 LEU 468 HB2 LEU 468 22.425 2.131 12.586 168 HB3 LEU 468 HB1 LEU 468 21.645 3.211 13.739 169 HG LEU 468 HG LEU 468 21.574 3.931 10.831 170 HD11 LEU 468 HD11 LEU 468 20.858 1.677 10.663 171 HD12 LEU 468 HD12 LEU 468 19.372 2.621 10.766 172 HD13 LEU 468 HD13 LEU 468 19.971 1.762 12.185 173 HD21 LEU 468 HD21 LEU 468 19.609 4.204 13.128 174 HD22 LEU 468 HD22 LEU 468 19.413 4.894 11.517 175 HD23 LEU 468 HD23 LEU 468 20.705 5.470 12.571 176 H LEU 469 HN LEU 469 24.681 1.948 12.693 177 HA LEU 469 HA LEU 469 25.501 1.835 15.385 178 HB2 LEU 469 HB2 LEU 469 27.214 0.200 14.536 179 HB3 LEU 469 HB1 LEU 469 25.561 -0.160 14.053 180 HG LEU 469 HG LEU 469 26.029 1.079 11.881 181 HD11 LEU 469 HD11 LEU 469 28.713 1.242 13.173 182 HD12 LEU 469 HD12 LEU 469 27.931 2.347 12.046 183 HD13 LEU 469 HD13 LEU 469 28.672 0.865 11.453 184 HD21 LEU 469 HD21 LEU 469 27.704 -0.893 11.174 185 HD22 LEU 469 HD22 LEU 469 25.997 -1.184 11.509 186 HD23 LEU 469 HD23 LEU 469 27.208 -1.512 12.748 187 H ASP 470 HN ASP 470 26.341 4.043 13.075 188 HA ASP 470 HA ASP 470 29.077 4.418 14.080 189 HB2 ASP 470 HB2 ASP 470 27.749 4.902 11.557 190 HB3 ASP 470 HB1 ASP 470 28.511 6.376 12.153 191 H LYS 471 HN LYS 471 25.926 5.969 13.867 192 HA LYS 471 HA LYS 471 26.904 8.152 15.610 193 HB2 LYS 471 HB2 LYS 471 24.443 8.111 13.847 194 HB3 LYS 471 HB1 LYS 471 25.055 9.487 14.766 195 HG2 LYS 471 HG2 LYS 471 26.537 8.074 12.528 196 HG3 LYS 471 HG1 LYS 471 25.720 9.630 12.387 197 HD2 LYS 471 HD2 LYS 471 27.242 10.261 14.458 198 HD3 LYS 471 HD1 LYS 471 28.244 8.943 13.851 199 HE2 LYS 471 HE2 LYS 471 27.377 11.420 12.338 200 HE3 LYS 471 HE1 LYS 471 29.018 10.985 12.816 201 HZ1 LYS 471 HZ1 LYS 471 28.161 10.480 10.426 202 HZ2 LYS 471 HZ2 LYS 471 27.477 9.112 11.165 203 HZ3 LYS 471 HZ3 LYS 471 29.154 9.367 11.229 204 H LYS 472 HN LYS 472 23.914 6.311 14.949 205 HA LYS 472 HA LYS 472 23.072 6.693 17.724 206 HB2 LYS 472 HB2 LYS 472 21.762 5.910 15.180 207 HB3 LYS 472 HB1 LYS 472 21.110 5.188 16.651 208 HG2 LYS 472 HG2 LYS 472 21.665 8.145 16.537 209 HG3 LYS 472 HG1 LYS 472 20.171 7.496 15.858 210 HD2 LYS 472 HD2 LYS 472 20.893 6.517 18.567 211 HD3 LYS 472 HD1 LYS 472 20.421 8.213 18.459 212 HE2 LYS 472 HE2 LYS 472 18.463 6.751 18.873 213 HE3 LYS 472 HE1 LYS 472 18.337 7.583 17.322 214 HZ1 LYS 472 HZ1 LYS 472 17.818 5.145 17.291 215 HZ2 LYS 472 HZ2 LYS 472 19.463 4.856 17.600 216 HZ3 LYS 472 HZ3 LYS 472 18.990 5.648 16.174 217 HN1 NH2 473 H1 NH2 473 24.654 5.261 18.778 218 HN2 NH2 473 H2 NH2 473 24.502 3.576 18.653 Start of MODEL 4 1 H1 ACE 446 HA2 ACE 446 20.410 2.215 -20.844 2 H2 ACE 446 HA3 ACE 446 20.006 0.525 -21.149 3 H3 ACE 446 HA1 ACE 446 21.130 0.944 -19.855 4 H LYS 447 HN LYS 447 18.201 -0.248 -20.228 5 HA LYS 447 HA LYS 447 16.857 1.409 -18.200 6 HB2 LYS 447 HB2 LYS 447 15.788 0.554 -20.449 7 HB3 LYS 447 HB1 LYS 447 15.565 -0.940 -19.537 8 HG2 LYS 447 HG2 LYS 447 14.569 0.586 -17.689 9 HG3 LYS 447 HG1 LYS 447 14.434 1.795 -18.966 10 HD2 LYS 447 HD2 LYS 447 12.377 0.754 -19.186 11 HD3 LYS 447 HD1 LYS 447 13.336 -0.230 -20.292 12 HE2 LYS 447 HE2 LYS 447 12.364 -1.896 -19.009 13 HE3 LYS 447 HE1 LYS 447 13.842 -1.617 -18.088 14 HZ1 LYS 447 HZ1 LYS 447 12.099 -1.568 -16.539 15 HZ2 LYS 447 HZ2 LYS 447 11.122 -0.592 -17.528 16 HZ3 LYS 447 HZ3 LYS 447 12.507 0.060 -16.792 17 H ASP 448 HN ASP 448 17.479 -2.037 -18.907 18 HA ASP 448 HA ASP 448 16.800 -2.862 -16.238 19 HB2 ASP 448 HB2 ASP 448 18.269 -4.373 -18.410 20 HB3 ASP 448 HB1 ASP 448 17.545 -5.071 -16.962 21 H GLN 449 HN GLN 449 19.536 -1.458 -17.644 22 HA GLN 449 HA GLN 449 21.465 -2.706 -15.854 23 HB2 GLN 449 HB2 GLN 449 21.570 -0.830 -18.158 24 HB3 GLN 449 HB1 GLN 449 22.857 -0.697 -16.960 25 HG2 GLN 449 HG2 GLN 449 23.472 -2.999 -17.238 26 HG3 GLN 449 HG1 GLN 449 22.035 -3.329 -18.205 27 HE21 GLN 449 HE21 GLN 449 24.933 -1.174 -18.264 28 HE22 GLN 449 HE22 GLN 449 25.118 -1.239 -19.950 29 H PHE 450 HN PHE 450 19.273 -0.122 -15.764 30 HA PHE 450 HA PHE 450 20.832 1.471 -13.877 31 HB2 PHE 450 HB2 PHE 450 19.603 3.104 -14.795 32 HB3 PHE 450 HB1 PHE 450 18.583 1.930 -15.626 33 HD1 PHE 450 HD1 PHE 450 19.092 3.699 -12.390 34 HD2 PHE 450 HD2 PHE 450 16.408 1.390 -14.823 35 HE1 PHE 450 HE1 PHE 450 17.243 4.179 -10.807 36 HE2 PHE 450 HE2 PHE 450 14.560 1.870 -13.239 37 HZ PHE 450 HZ PHE 450 14.978 3.266 -11.233 38 H ILE 451 HN ILE 451 18.449 -1.016 -13.876 39 HA ILE 451 HA ILE 451 17.379 -0.461 -11.261 40 HB ILE 451 HB ILE 451 17.197 -2.780 -13.171 41 HG12 ILE 451 HG12 ILE 451 15.012 -1.121 -11.900 42 HG13 ILE 451 HG11 ILE 451 15.842 -0.599 -13.366 43 HG21 ILE 451 HG21 ILE 451 17.159 -3.988 -11.174 44 HG22 ILE 451 HG22 ILE 451 15.455 -3.576 -11.367 45 HG23 ILE 451 HG23 ILE 451 16.467 -2.647 -10.260 46 HD11 ILE 451 HD11 ILE 451 14.799 -2.154 -14.658 47 HD12 ILE 451 HD12 ILE 451 13.627 -2.209 -13.342 48 HD13 ILE 451 HD13 ILE 451 14.924 -3.402 -13.418 49 H ILE 452 HN ILE 452 19.413 -3.123 -12.511 50 HA ILE 452 HA ILE 452 20.079 -4.330 -10.127 51 HB ILE 452 HB ILE 452 22.312 -4.850 -11.325 52 HG12 ILE 452 HG12 ILE 452 21.006 -3.984 -13.838 53 HG13 ILE 452 HG11 ILE 452 21.640 -2.679 -12.834 54 HG21 ILE 452 HG21 ILE 452 20.766 -6.024 -13.224 55 HG22 ILE 452 HG22 ILE 452 19.529 -5.582 -12.047 56 HG23 ILE 452 HG23 ILE 452 20.876 -6.615 -11.565 57 HD11 ILE 452 HD11 ILE 452 23.250 -5.128 -13.597 58 HD12 ILE 452 HD12 ILE 452 23.843 -3.657 -12.824 59 HD13 ILE 452 HD13 ILE 452 23.297 -3.613 -14.499 60 H ALA 453 HN ALA 453 20.883 -1.185 -11.151 61 HA ALA 453 HA ALA 453 23.295 -0.931 -9.566 62 HB1 ALA 453 HB1 ALA 453 23.593 0.973 -10.727 63 HB2 ALA 453 HB2 ALA 453 21.984 1.565 -10.316 64 HB3 ALA 453 HB3 ALA 453 22.200 0.479 -11.691 65 H TYR 454 HN TYR 454 19.874 -0.167 -9.253 66 HA TYR 454 HA TYR 454 20.307 0.345 -6.391 67 HB2 TYR 454 HB2 TYR 454 18.542 2.109 -8.100 68 HB3 TYR 454 HB1 TYR 454 18.957 2.330 -6.401 69 HD1 TYR 454 HD2 TYR 454 21.572 2.389 -5.899 70 HD2 TYR 454 HD1 TYR 454 19.774 3.295 -9.695 71 HE1 TYR 454 HE2 TYR 454 23.591 3.674 -6.550 72 HE2 TYR 454 HE1 TYR 454 21.792 4.579 -10.345 73 HH TYR 454 HH TYR 454 24.122 4.750 -9.780 74 H GLY 455 HN GLY 455 17.613 0.447 -8.737 75 HA2 GLY 455 HA2 GLY 455 15.542 -0.409 -7.206 76 HA3 GLY 455 HA1 GLY 455 15.723 -0.891 -8.890 77 H GLY 456 HN GLY 456 18.331 -2.252 -8.080 78 HA2 GLY 456 HA2 GLY 456 17.073 -4.761 -7.180 79 HA3 GLY 456 HA1 GLY 456 18.579 -4.638 -8.084 80 H LEU 457 HN LEU 457 20.165 -3.011 -6.777 81 HA LEU 457 HA LEU 457 21.131 -4.444 -4.599 82 HB2 LEU 457 HB2 LEU 457 22.580 -2.906 -5.734 83 HB3 LEU 457 HB1 LEU 457 21.512 -1.548 -5.388 84 HG LEU 457 HG LEU 457 22.027 -1.638 -3.035 85 HD11 LEU 457 HD11 LEU 457 23.319 -4.266 -3.769 86 HD12 LEU 457 HD12 LEU 457 22.112 -3.946 -2.523 87 HD13 LEU 457 HD13 LEU 457 23.774 -3.404 -2.298 88 HD21 LEU 457 HD21 LEU 457 24.551 -2.047 -4.669 89 HD22 LEU 457 HD22 LEU 457 24.480 -1.301 -3.072 90 HD23 LEU 457 HD23 LEU 457 23.703 -0.516 -4.446 91 H ARG 458 HN ARG 458 19.942 -1.118 -4.210 92 HA ARG 458 HA ARG 458 18.536 -0.176 -2.645 93 HB2 ARG 458 HB2 ARG 458 17.281 -2.470 -3.110 94 HB3 ARG 458 HB1 ARG 458 17.825 -2.828 -1.470 95 HG2 ARG 458 HG2 ARG 458 15.809 -1.779 -1.009 96 HG3 ARG 458 HG1 ARG 458 16.894 -0.389 -0.988 97 HD2 ARG 458 HD2 ARG 458 16.369 -0.255 -3.543 98 HD3 ARG 458 HD1 ARG 458 14.976 -1.254 -3.138 99 HE ARG 458 HE ARG 458 14.038 0.572 -2.015 100 HH11 ARG 458 HH21 ARG 458 17.329 1.149 -2.914 101 HH12 ARG 458 HH22 ARG 458 17.276 2.842 -2.552 102 HH21 ARG 458 HH11 ARG 458 13.960 2.792 -1.540 103 HH22 ARG 458 HH12 ARG 458 15.369 3.771 -1.774 104 H GLY 459 HN GLY 459 20.541 -2.888 -1.598 105 HA2 GLY 459 HA2 GLY 459 20.738 -2.474 1.114 106 HA3 GLY 459 HA1 GLY 459 22.081 -3.028 0.118 107 H ALA 460 HN ALA 460 22.790 -0.945 -1.382 108 HA ALA 460 HA ALA 460 24.299 0.690 0.287 109 HB1 ALA 460 HB1 ALA 460 24.283 2.239 -1.831 110 HB2 ALA 460 HB2 ALA 460 23.442 0.882 -2.576 111 HB3 ALA 460 HB3 ALA 460 25.057 0.656 -1.908 112 H ILE 461 HN ILE 461 21.636 1.923 -1.730 113 HA ILE 461 HA ILE 461 21.280 4.347 -0.469 114 HB ILE 461 HB ILE 461 19.405 2.522 -1.940 115 HG12 ILE 461 HG12 ILE 461 19.438 4.405 -3.538 116 HG13 ILE 461 HG11 ILE 461 20.449 5.332 -2.428 117 HG21 ILE 461 HG21 ILE 461 17.849 3.475 -0.453 118 HG22 ILE 461 HG22 ILE 461 17.817 4.579 -1.828 119 HG23 ILE 461 HG23 ILE 461 18.723 5.005 -0.376 120 HD11 ILE 461 HD11 ILE 461 22.275 3.810 -2.667 121 HD12 ILE 461 HD12 ILE 461 21.684 4.109 -4.302 122 HD13 ILE 461 HD13 ILE 461 21.262 2.612 -3.471 123 H ALA 462 HN ALA 462 20.083 1.178 0.487 124 HA ALA 462 HA ALA 462 18.321 2.081 2.530 125 HB1 ALA 462 HB1 ALA 462 18.126 -0.161 1.596 126 HB2 ALA 462 HB2 ALA 462 18.433 -0.264 3.328 127 HB3 ALA 462 HB3 ALA 462 19.738 -0.571 2.183 128 H PHE 463 HN PHE 463 21.758 1.549 2.366 129 HA PHE 463 HA PHE 463 22.072 1.665 5.267 130 HB2 PHE 463 HB2 PHE 463 23.842 0.395 4.731 131 HB3 PHE 463 HB1 PHE 463 23.671 0.778 3.017 132 HD1 PHE 463 HD1 PHE 463 25.233 1.791 6.204 133 HD2 PHE 463 HD2 PHE 463 24.891 2.620 2.003 134 HE1 PHE 463 HE1 PHE 463 27.201 3.293 6.341 135 HE2 PHE 463 HE2 PHE 463 26.860 4.124 2.140 136 HZ PHE 463 HZ PHE 463 28.015 4.459 4.309 137 H SER 464 HN SER 464 22.904 3.594 2.401 138 HA SER 464 HA SER 464 24.241 5.684 3.712 139 HB2 SER 464 HB2 SER 464 23.613 5.111 1.107 140 HB3 SER 464 HB1 SER 464 22.576 6.498 1.427 141 HG SER 464 HG SER 464 24.568 7.255 0.776 142 H LEU 465 HN LEU 465 20.971 4.773 3.832 143 HA LEU 465 HA LEU 465 19.992 7.447 4.487 144 HB2 LEU 465 HB2 LEU 465 18.818 4.930 3.646 145 HB3 LEU 465 HB1 LEU 465 17.985 5.589 5.054 146 HG LEU 465 HG LEU 465 17.731 7.753 3.904 147 HD11 LEU 465 HD11 LEU 465 18.286 7.129 1.228 148 HD12 LEU 465 HD12 LEU 465 19.680 6.527 2.126 149 HD13 LEU 465 HD13 LEU 465 19.206 8.220 2.262 150 HD21 LEU 465 HD21 LEU 465 16.503 5.268 3.158 151 HD22 LEU 465 HD22 LEU 465 16.631 6.284 1.723 152 HD23 LEU 465 HD23 LEU 465 15.793 6.882 3.155 153 H GLY 466 HN GLY 466 20.427 4.289 6.060 154 HA2 GLY 466 HA2 GLY 466 19.646 5.347 8.652 155 HA3 GLY 466 HA1 GLY 466 20.169 3.701 8.305 156 H TYR 467 HN TYR 467 22.353 5.682 6.847 157 HA TYR 467 HA TYR 467 24.297 5.276 8.991 158 HB2 TYR 467 HB2 TYR 467 25.307 4.650 7.021 159 HB3 TYR 467 HB1 TYR 467 24.425 5.840 6.064 160 HD1 TYR 467 HD2 TYR 467 27.117 5.475 8.621 161 HD2 TYR 467 HD1 TYR 467 25.366 7.960 5.586 162 HE1 TYR 467 HE2 TYR 467 29.041 7.034 8.787 163 HE2 TYR 467 HE1 TYR 467 27.287 9.518 5.752 164 HH TYR 467 HH TYR 467 29.155 10.022 6.849 165 H LEU 468 HN LEU 468 22.718 7.885 7.227 166 HA LEU 468 HA LEU 468 24.304 10.011 8.205 167 HB2 LEU 468 HB2 LEU 468 21.406 10.055 7.329 168 HB3 LEU 468 HB1 LEU 468 22.466 11.456 7.478 169 HG LEU 468 HG LEU 468 23.373 9.171 5.768 170 HD11 LEU 468 HD11 LEU 468 22.178 10.267 3.837 171 HD12 LEU 468 HD12 LEU 468 21.262 11.206 5.017 172 HD13 LEU 468 HD13 LEU 468 21.114 9.449 4.982 173 HD21 LEU 468 HD21 LEU 468 24.828 11.127 6.209 174 HD22 LEU 468 HD22 LEU 468 23.584 12.192 5.551 175 HD23 LEU 468 HD23 LEU 468 24.392 11.025 4.504 176 H LEU 469 HN LEU 469 20.887 9.531 9.064 177 HA LEU 469 HA LEU 469 20.805 11.026 11.347 178 HB2 LEU 469 HB2 LEU 469 18.892 9.728 12.040 179 HB3 LEU 469 HB1 LEU 469 18.858 9.865 10.282 180 HG LEU 469 HG LEU 469 20.370 7.587 10.666 181 HD11 LEU 469 HD11 LEU 469 19.660 7.798 13.132 182 HD12 LEU 469 HD12 LEU 469 19.360 6.246 12.350 183 HD13 LEU 469 HD13 LEU 469 18.036 7.388 12.578 184 HD21 LEU 469 HD21 LEU 469 17.415 8.022 10.181 185 HD22 LEU 469 HD22 LEU 469 18.149 6.419 10.101 186 HD23 LEU 469 HD23 LEU 469 18.675 7.688 8.992 187 H ASP 470 HN ASP 470 22.518 8.103 10.871 188 HA ASP 470 HA ASP 470 22.678 7.367 13.665 189 HB2 ASP 470 HB2 ASP 470 23.502 6.246 11.108 190 HB3 ASP 470 HB1 ASP 470 24.767 6.106 12.327 191 H LYS 471 HN LYS 471 24.764 8.953 11.279 192 HA LYS 471 HA LYS 471 26.687 9.596 13.422 193 HB2 LYS 471 HB2 LYS 471 26.956 9.683 10.408 194 HB3 LYS 471 HB1 LYS 471 28.210 10.194 11.539 195 HG2 LYS 471 HG2 LYS 471 27.275 7.604 12.335 196 HG3 LYS 471 HG1 LYS 471 27.664 7.555 10.616 197 HD2 LYS 471 HD2 LYS 471 29.888 8.448 11.044 198 HD3 LYS 471 HD1 LYS 471 29.509 8.661 12.754 199 HE2 LYS 471 HE2 LYS 471 29.485 5.988 11.322 200 HE3 LYS 471 HE1 LYS 471 30.830 6.583 12.295 201 HZ1 LYS 471 HZ1 LYS 471 29.340 5.129 13.553 202 HZ2 LYS 471 HZ2 LYS 471 28.053 6.203 13.278 203 HZ3 LYS 471 HZ3 LYS 471 29.390 6.694 14.204 204 H LYS 472 HN LYS 472 25.023 11.089 10.643 205 HA LYS 472 HA LYS 472 25.689 13.760 11.523 206 HB2 LYS 472 HB2 LYS 472 23.814 12.773 9.359 207 HB3 LYS 472 HB1 LYS 472 24.256 14.461 9.624 208 HG2 LYS 472 HG2 LYS 472 26.575 12.668 9.471 209 HG3 LYS 472 HG1 LYS 472 25.620 12.704 7.987 210 HD2 LYS 472 HD2 LYS 472 25.748 15.162 7.950 211 HD3 LYS 472 HD1 LYS 472 26.684 15.142 9.445 212 HE2 LYS 472 HE2 LYS 472 28.353 15.288 7.804 213 HE3 LYS 472 HE1 LYS 472 28.288 13.556 8.133 214 HZ1 LYS 472 HZ1 LYS 472 26.899 14.966 5.917 215 HZ2 LYS 472 HZ2 LYS 472 26.793 13.301 6.244 216 HZ3 LYS 472 HZ3 LYS 472 28.274 13.984 5.765 217 HN1 NH2 473 H1 NH2 473 22.433 12.319 10.914 218 HN2 NH2 473 H2 NH2 473 21.694 13.095 12.230 Start of MODEL 5 1 H1 ACE 446 HA2 ACE 446 19.361 2.798 -21.231 2 H2 ACE 446 HA3 ACE 446 19.152 1.062 -21.472 3 H3 ACE 446 HA1 ACE 446 20.355 1.654 -20.327 4 H LYS 447 HN LYS 447 18.359 -0.199 -19.617 5 HA LYS 447 HA LYS 447 16.962 1.343 -17.549 6 HB2 LYS 447 HB2 LYS 447 15.674 0.087 -19.826 7 HB3 LYS 447 HB1 LYS 447 15.103 -0.602 -18.305 8 HG2 LYS 447 HG2 LYS 447 14.504 1.576 -17.458 9 HG3 LYS 447 HG1 LYS 447 15.279 2.376 -18.825 10 HD2 LYS 447 HD2 LYS 447 12.829 2.282 -19.128 11 HD3 LYS 447 HD1 LYS 447 13.657 1.334 -20.364 12 HE2 LYS 447 HE2 LYS 447 13.018 -0.701 -19.425 13 HE3 LYS 447 HE1 LYS 447 12.802 -0.008 -17.818 14 HZ1 LYS 447 HZ1 LYS 447 10.835 1.108 -18.549 15 HZ2 LYS 447 HZ2 LYS 447 10.694 -0.536 -18.955 16 HZ3 LYS 447 HZ3 LYS 447 11.075 0.609 -20.151 17 H ASP 448 HN ASP 448 17.452 -1.937 -18.868 18 HA ASP 448 HA ASP 448 17.060 -3.323 -16.452 19 HB2 ASP 448 HB2 ASP 448 17.572 -4.026 -19.067 20 HB3 ASP 448 HB1 ASP 448 19.047 -4.520 -18.239 21 H GLN 449 HN GLN 449 19.764 -1.520 -17.667 22 HA GLN 449 HA GLN 449 21.609 -2.648 -15.704 23 HB2 GLN 449 HB2 GLN 449 21.870 -0.686 -17.967 24 HB3 GLN 449 HB1 GLN 449 23.136 -0.827 -16.747 25 HG2 GLN 449 HG2 GLN 449 23.535 -3.112 -17.273 26 HG3 GLN 449 HG1 GLN 449 22.039 -3.240 -18.196 27 HE21 GLN 449 HE21 GLN 449 23.316 -3.944 -20.100 28 HE22 GLN 449 HE22 GLN 449 24.194 -2.807 -21.004 29 H PHE 450 HN PHE 450 19.354 -0.113 -15.939 30 HA PHE 450 HA PHE 450 20.701 1.593 -13.988 31 HB2 PHE 450 HB2 PHE 450 19.559 3.140 -15.148 32 HB3 PHE 450 HB1 PHE 450 18.577 1.907 -15.940 33 HD1 PHE 450 HD1 PHE 450 18.884 4.056 -12.936 34 HD2 PHE 450 HD2 PHE 450 16.397 1.308 -15.108 35 HE1 PHE 450 HE1 PHE 450 16.956 4.665 -11.501 36 HE2 PHE 450 HE2 PHE 450 14.468 1.918 -13.673 37 HZ PHE 450 HZ PHE 450 14.748 3.598 -11.869 38 H ILE 451 HN ILE 451 18.586 -1.056 -14.014 39 HA ILE 451 HA ILE 451 17.253 -0.358 -11.514 40 HB ILE 451 HB ILE 451 17.067 -2.648 -13.451 41 HG12 ILE 451 HG12 ILE 451 14.782 -1.149 -12.219 42 HG13 ILE 451 HG11 ILE 451 15.767 -0.329 -13.431 43 HG21 ILE 451 HG21 ILE 451 16.979 -3.876 -11.451 44 HG22 ILE 451 HG22 ILE 451 15.283 -3.485 -11.740 45 HG23 ILE 451 HG23 ILE 451 16.214 -2.557 -10.564 46 HD11 ILE 451 HD11 ILE 451 14.406 -3.014 -13.802 47 HD12 ILE 451 HD12 ILE 451 15.376 -2.176 -15.014 48 HD13 ILE 451 HD13 ILE 451 13.845 -1.484 -14.476 49 H ILE 452 HN ILE 452 19.329 -3.028 -12.670 50 HA ILE 452 HA ILE 452 19.799 -4.250 -10.218 51 HB ILE 452 HB ILE 452 21.912 -5.084 -11.261 52 HG12 ILE 452 HG12 ILE 452 21.076 -3.190 -13.481 53 HG13 ILE 452 HG11 ILE 452 22.526 -3.048 -12.488 54 HG21 ILE 452 HG21 ILE 452 19.588 -5.103 -13.202 55 HG22 ILE 452 HG22 ILE 452 19.607 -6.051 -11.714 56 HG23 ILE 452 HG23 ILE 452 20.805 -6.358 -12.973 57 HD11 ILE 452 HD11 ILE 452 23.096 -5.427 -13.326 58 HD12 ILE 452 HD12 ILE 452 23.293 -4.095 -14.463 59 HD13 ILE 452 HD13 ILE 452 21.874 -5.137 -14.564 60 H ALA 453 HN ALA 453 20.830 -1.190 -11.327 61 HA ALA 453 HA ALA 453 23.222 -0.968 -9.760 62 HB1 ALA 453 HB1 ALA 453 23.395 1.154 -10.626 63 HB2 ALA 453 HB2 ALA 453 21.660 1.454 -10.522 64 HB3 ALA 453 HB3 ALA 453 22.305 0.453 -11.823 65 H TYR 454 HN TYR 454 19.838 -0.003 -9.321 66 HA TYR 454 HA TYR 454 20.429 1.006 -6.637 67 HB2 TYR 454 HB2 TYR 454 17.987 1.060 -8.403 68 HB3 TYR 454 HB1 TYR 454 17.912 1.508 -6.697 69 HD1 TYR 454 HD1 TYR 454 19.372 2.364 -9.987 70 HD2 TYR 454 HD2 TYR 454 18.930 3.544 -5.880 71 HE1 TYR 454 HE1 TYR 454 20.262 4.613 -10.538 72 HE2 TYR 454 HE2 TYR 454 19.820 5.793 -6.431 73 HH TYR 454 HH TYR 454 20.550 7.137 -8.033 74 H GLY 455 HN GLY 455 20.398 -1.927 -7.592 75 HA2 GLY 455 HA2 GLY 455 19.707 -3.981 -6.805 76 HA3 GLY 455 HA1 GLY 455 19.704 -3.176 -5.239 77 H GLY 456 HN GLY 456 17.640 -2.707 -8.103 78 HA2 GLY 456 HA2 GLY 456 15.382 -3.280 -8.381 79 HA3 GLY 456 HA1 GLY 456 15.337 -3.827 -6.708 80 H LEU 457 HN LEU 457 16.761 -1.125 -6.111 81 HA LEU 457 HA LEU 457 16.119 0.925 -5.305 82 HB2 LEU 457 HB2 LEU 457 15.733 1.261 -7.779 83 HB3 LEU 457 HB1 LEU 457 14.041 0.854 -7.504 84 HG LEU 457 HG LEU 457 14.793 2.804 -5.551 85 HD11 LEU 457 HD11 LEU 457 15.373 4.679 -7.092 86 HD12 LEU 457 HD12 LEU 457 15.535 3.513 -8.405 87 HD13 LEU 457 HD13 LEU 457 16.631 3.445 -7.026 88 HD21 LEU 457 HD21 LEU 457 12.534 2.373 -6.547 89 HD22 LEU 457 HD22 LEU 457 13.103 3.080 -8.058 90 HD23 LEU 457 HD23 LEU 457 12.994 4.074 -6.605 91 H ARG 458 HN ARG 458 14.648 -1.666 -4.573 92 HA ARG 458 HA ARG 458 11.976 -0.899 -3.927 93 HB2 ARG 458 HB2 ARG 458 11.792 -2.984 -2.805 94 HB3 ARG 458 HB1 ARG 458 12.808 -3.272 -4.213 95 HG2 ARG 458 HG2 ARG 458 13.832 -2.819 -1.385 96 HG3 ARG 458 HG1 ARG 458 13.711 -4.375 -2.191 97 HD2 ARG 458 HD2 ARG 458 15.944 -3.785 -2.553 98 HD3 ARG 458 HD1 ARG 458 15.161 -3.292 -4.049 99 HE ARG 458 HE ARG 458 15.042 -1.038 -2.538 100 HH11 ARG 458 HH21 ARG 458 17.559 -3.278 -3.321 101 HH12 ARG 458 HH22 ARG 458 18.822 -2.095 -3.260 102 HH21 ARG 458 HH11 ARG 458 16.692 0.522 -2.461 103 HH22 ARG 458 HH12 ARG 458 18.330 0.058 -2.773 104 H GLY 459 HN GLY 459 14.473 0.650 -2.924 105 HA2 GLY 459 HA2 GLY 459 13.837 0.649 -0.044 106 HA3 GLY 459 HA1 GLY 459 15.291 1.326 -0.772 107 H ALA 460 HN ALA 460 13.097 2.289 -2.881 108 HA ALA 460 HA ALA 460 12.666 4.858 -1.507 109 HB1 ALA 460 HB1 ALA 460 13.028 5.864 -3.492 110 HB2 ALA 460 HB2 ALA 460 11.990 4.726 -4.353 111 HB3 ALA 460 HB3 ALA 460 13.669 4.307 -4.016 112 H ILE 461 HN ILE 461 11.052 2.035 -2.201 113 HA ILE 461 HA ILE 461 8.455 3.272 -2.717 114 HB ILE 461 HB ILE 461 9.384 0.406 -2.511 115 HG12 ILE 461 HG12 ILE 461 8.653 0.377 -4.884 116 HG13 ILE 461 HG11 ILE 461 8.216 2.081 -4.759 117 HG21 ILE 461 HG21 ILE 461 6.606 1.574 -2.671 118 HG22 ILE 461 HG22 ILE 461 7.207 0.316 -1.590 119 HG23 ILE 461 HG23 ILE 461 6.964 -0.034 -3.301 120 HD11 ILE 461 HD11 ILE 461 10.430 2.782 -4.637 121 HD12 ILE 461 HD12 ILE 461 10.585 1.384 -5.700 122 HD13 ILE 461 HD13 ILE 461 10.991 1.240 -3.991 123 H ALA 462 HN ALA 462 9.761 0.959 -0.332 124 HA ALA 462 HA ALA 462 7.614 1.134 1.472 125 HB1 ALA 462 HB1 ALA 462 10.265 0.687 2.673 126 HB2 ALA 462 HB2 ALA 462 9.889 -0.371 1.311 127 HB3 ALA 462 HB3 ALA 462 8.820 -0.325 2.713 128 H PHE 463 HN PHE 463 10.433 3.157 1.005 129 HA PHE 463 HA PHE 463 10.232 4.559 3.491 130 HB2 PHE 463 HB2 PHE 463 12.283 5.125 2.774 131 HB3 PHE 463 HB1 PHE 463 11.908 4.630 1.122 132 HD1 PHE 463 HD2 PHE 463 11.876 7.424 3.527 133 HD2 PHE 463 HD1 PHE 463 11.030 6.215 -0.507 134 HE1 PHE 463 HE2 PHE 463 11.695 9.804 2.853 135 HE2 PHE 463 HE1 PHE 463 10.850 8.596 -1.182 136 HZ PHE 463 HZ PHE 463 11.182 10.389 0.497 137 H SER 464 HN SER 464 9.249 5.317 0.154 138 HA SER 464 HA SER 464 8.154 7.844 0.626 139 HB2 SER 464 HB2 SER 464 8.329 7.326 -1.632 140 HB3 SER 464 HB1 SER 464 7.674 5.706 -1.417 141 HG SER 464 HG SER 464 6.076 6.937 -2.325 142 H LEU 465 HN LEU 465 6.594 4.646 0.722 143 HA LEU 465 HA LEU 465 4.044 5.683 1.518 144 HB2 LEU 465 HB2 LEU 465 5.251 2.921 1.443 145 HB3 LEU 465 HB1 LEU 465 3.638 3.214 2.095 146 HG LEU 465 HG LEU 465 4.132 4.507 -0.505 147 HD11 LEU 465 HD11 LEU 465 5.410 2.429 -0.845 148 HD12 LEU 465 HD12 LEU 465 3.916 2.398 -1.781 149 HD13 LEU 465 HD13 LEU 465 4.034 1.483 -0.278 150 HD21 LEU 465 HD21 LEU 465 1.979 2.620 0.502 151 HD22 LEU 465 HD22 LEU 465 1.885 3.634 -0.937 152 HD23 LEU 465 HD23 LEU 465 1.931 4.375 0.663 153 H GLY 466 HN GLY 466 6.890 4.487 3.187 154 HA2 GLY 466 HA2 GLY 466 5.547 4.538 5.781 155 HA3 GLY 466 HA1 GLY 466 7.205 4.033 5.472 156 H TYR 467 HN TYR 467 6.791 6.830 3.798 157 HA TYR 467 HA TYR 467 8.242 8.367 5.801 158 HB2 TYR 467 HB2 TYR 467 9.224 8.782 3.766 159 HB3 TYR 467 HB1 TYR 467 7.712 8.604 2.878 160 HD1 TYR 467 HD2 TYR 467 9.472 10.849 5.297 161 HD2 TYR 467 HD1 TYR 467 6.465 10.499 2.249 162 HE1 TYR 467 HE2 TYR 467 9.173 13.311 5.309 163 HE2 TYR 467 HE1 TYR 467 6.165 12.961 2.262 164 HH TYR 467 HH TYR 467 7.072 14.910 4.624 165 H LEU 468 HN LEU 468 5.117 8.385 4.170 166 HA LEU 468 HA LEU 468 4.245 10.919 5.088 167 HB2 LEU 468 HB2 LEU 468 2.600 8.483 4.357 168 HB3 LEU 468 HB1 LEU 468 1.998 10.136 4.484 169 HG LEU 468 HG LEU 468 4.341 9.627 2.695 170 HD11 LEU 468 HD11 LEU 468 1.477 8.854 2.113 171 HD12 LEU 468 HD12 LEU 468 2.917 7.845 1.980 172 HD13 LEU 468 HD13 LEU 468 2.661 9.167 0.842 173 HD21 LEU 468 HD21 LEU 468 3.050 11.869 3.301 174 HD22 LEU 468 HD22 LEU 468 1.938 11.298 2.058 175 HD23 LEU 468 HD23 LEU 468 3.634 11.580 1.663 176 H LEU 469 HN LEU 469 2.744 7.865 6.095 177 HA LEU 469 HA LEU 469 1.607 8.720 8.435 178 HB2 LEU 469 HB2 LEU 469 1.689 6.376 9.197 179 HB3 LEU 469 HB1 LEU 469 1.218 6.488 7.501 180 HG LEU 469 HG LEU 469 3.970 6.354 7.345 181 HD11 LEU 469 HD11 LEU 469 3.120 4.290 9.384 182 HD12 LEU 469 HD12 LEU 469 3.874 5.814 9.852 183 HD13 LEU 469 HD13 LEU 469 4.754 4.671 8.837 184 HD21 LEU 469 HD21 LEU 469 3.495 3.913 6.738 185 HD22 LEU 469 HD22 LEU 469 2.548 5.120 5.868 186 HD23 LEU 469 HD23 LEU 469 1.823 4.226 7.204 187 H ASP 470 HN ASP 470 4.940 8.393 7.768 188 HA ASP 470 HA ASP 470 5.793 8.068 10.512 189 HB2 ASP 470 HB2 ASP 470 7.365 7.187 9.053 190 HB3 ASP 470 HB1 ASP 470 7.158 8.487 7.880 191 H LYS 471 HN LYS 471 5.477 10.708 8.187 192 HA LYS 471 HA LYS 471 6.314 12.627 10.265 193 HB2 LYS 471 HB2 LYS 471 6.020 12.929 7.267 194 HB3 LYS 471 HB1 LYS 471 6.452 14.241 8.365 195 HG2 LYS 471 HG2 LYS 471 8.126 11.974 8.925 196 HG3 LYS 471 HG1 LYS 471 8.187 12.318 7.196 197 HD2 LYS 471 HD2 LYS 471 8.741 14.659 7.648 198 HD3 LYS 471 HD1 LYS 471 8.605 14.375 9.383 199 HE2 LYS 471 HE2 LYS 471 10.474 12.677 7.759 200 HE3 LYS 471 HE1 LYS 471 10.973 14.300 8.238 201 HZ1 LYS 471 HZ1 LYS 471 9.923 13.291 10.513 202 HZ2 LYS 471 HZ2 LYS 471 11.579 13.331 10.136 203 HZ3 LYS 471 HZ3 LYS 471 10.670 11.928 9.835 204 H LYS 472 HN LYS 472 3.773 12.068 7.833 205 HA LYS 472 HA LYS 472 2.097 14.146 8.986 206 HB2 LYS 472 HB2 LYS 472 1.339 12.144 6.855 207 HB3 LYS 472 HB1 LYS 472 0.603 13.715 7.175 208 HG2 LYS 472 HG2 LYS 472 3.428 13.233 6.179 209 HG3 LYS 472 HG1 LYS 472 2.087 13.889 5.238 210 HD2 LYS 472 HD2 LYS 472 1.969 15.671 7.162 211 HD3 LYS 472 HD1 LYS 472 3.631 15.170 7.473 212 HE2 LYS 472 HE2 LYS 472 4.083 15.549 4.997 213 HE3 LYS 472 HE1 LYS 472 2.499 16.321 4.913 214 HZ1 LYS 472 HZ1 LYS 472 3.495 17.580 7.003 215 HZ2 LYS 472 HZ2 LYS 472 3.734 18.128 5.413 216 HZ3 LYS 472 HZ3 LYS 472 4.949 17.237 6.199 217 HN1 NH2 473 H1 NH2 473 2.661 12.051 10.875 218 HN2 NH2 473 H2 NH2 473 1.207 11.233 11.192 Start of MODEL 6 1 H1 ACE 446 HA2 ACE 446 18.939 0.940 -21.879 2 H2 ACE 446 HA3 ACE 446 19.534 -0.585 -21.220 3 H3 ACE 446 HA1 ACE 446 20.489 0.886 -21.039 4 H LYS 447 HN LYS 447 17.286 -0.457 -20.232 5 HA LYS 447 HA LYS 447 17.101 1.328 -17.918 6 HB2 LYS 447 HB2 LYS 447 15.111 1.076 -19.325 7 HB3 LYS 447 HB1 LYS 447 15.124 -0.666 -19.048 8 HG2 LYS 447 HG2 LYS 447 15.226 0.903 -16.568 9 HG3 LYS 447 HG1 LYS 447 13.758 1.176 -17.505 10 HD2 LYS 447 HD2 LYS 447 14.791 -1.606 -16.928 11 HD3 LYS 447 HD1 LYS 447 13.703 -0.766 -15.824 12 HE2 LYS 447 HE2 LYS 447 11.911 -1.084 -17.173 13 HE3 LYS 447 HE1 LYS 447 12.819 -0.657 -18.622 14 HZ1 LYS 447 HZ1 LYS 447 12.348 -2.888 -18.915 15 HZ2 LYS 447 HZ2 LYS 447 12.603 -3.274 -17.279 16 HZ3 LYS 447 HZ3 LYS 447 13.923 -2.927 -18.289 17 H ASP 448 HN ASP 448 17.328 -2.107 -18.712 18 HA ASP 448 HA ASP 448 17.039 -3.072 -16.053 19 HB2 ASP 448 HB2 ASP 448 17.048 -4.270 -18.461 20 HB3 ASP 448 HB1 ASP 448 18.707 -4.606 -17.971 21 H GLN 449 HN GLN 449 19.499 -1.313 -17.522 22 HA GLN 449 HA GLN 449 21.663 -2.476 -15.941 23 HB2 GLN 449 HB2 GLN 449 21.447 -0.718 -18.271 24 HB3 GLN 449 HB1 GLN 449 22.654 -0.175 -17.105 25 HG2 GLN 449 HG2 GLN 449 22.494 -3.039 -18.063 26 HG3 GLN 449 HG1 GLN 449 23.480 -1.823 -18.872 27 HE21 GLN 449 HE21 GLN 449 25.252 -3.457 -18.105 28 HE22 GLN 449 HE22 GLN 449 25.902 -3.191 -16.560 29 H PHE 450 HN PHE 450 19.318 -0.006 -15.694 30 HA PHE 450 HA PHE 450 20.858 1.577 -13.781 31 HB2 PHE 450 HB2 PHE 450 19.557 3.187 -14.647 32 HB3 PHE 450 HB1 PHE 450 18.530 2.002 -15.453 33 HD1 PHE 450 HD2 PHE 450 19.166 3.654 -12.168 34 HD2 PHE 450 HD1 PHE 450 16.385 1.467 -14.604 35 HE1 PHE 450 HE2 PHE 450 17.380 4.061 -10.496 36 HE2 PHE 450 HE1 PHE 450 14.600 1.873 -12.931 37 HZ PHE 450 HZ PHE 450 15.097 3.170 -10.878 38 H ILE 451 HN ILE 451 18.135 -0.664 -13.871 39 HA ILE 451 HA ILE 451 17.290 -0.344 -11.191 40 HB ILE 451 HB ILE 451 16.996 -2.521 -13.240 41 HG12 ILE 451 HG12 ILE 451 14.901 -0.970 -11.705 42 HG13 ILE 451 HG11 ILE 451 15.639 -0.340 -13.178 43 HG21 ILE 451 HG21 ILE 451 16.379 -2.626 -10.294 44 HG22 ILE 451 HG22 ILE 451 17.106 -3.867 -11.316 45 HG23 ILE 451 HG23 ILE 451 15.383 -3.514 -11.448 46 HD11 ILE 451 HD11 ILE 451 13.502 -1.558 -13.616 47 HD12 ILE 451 HD12 ILE 451 14.244 -3.023 -12.973 48 HD13 ILE 451 HD13 ILE 451 14.882 -2.283 -14.441 49 H ILE 452 HN ILE 452 19.213 -2.996 -12.621 50 HA ILE 452 HA ILE 452 19.926 -4.346 -10.348 51 HB ILE 452 HB ILE 452 20.548 -5.071 -12.618 52 HG12 ILE 452 HG12 ILE 452 23.046 -4.700 -10.945 53 HG13 ILE 452 HG11 ILE 452 21.777 -5.848 -10.518 54 HG21 ILE 452 HG21 ILE 452 21.394 -2.546 -13.031 55 HG22 ILE 452 HG22 ILE 452 21.993 -3.909 -13.977 56 HG23 ILE 452 HG23 ILE 452 22.937 -3.294 -12.620 57 HD11 ILE 452 HD11 ILE 452 22.831 -5.912 -13.315 58 HD12 ILE 452 HD12 ILE 452 22.232 -7.232 -12.311 59 HD13 ILE 452 HD13 ILE 452 23.846 -6.577 -12.036 60 H ALA 453 HN ALA 453 20.923 -1.188 -11.323 61 HA ALA 453 HA ALA 453 23.261 -1.071 -9.636 62 HB1 ALA 453 HB1 ALA 453 22.033 1.483 -10.395 63 HB2 ALA 453 HB2 ALA 453 22.348 0.416 -11.764 64 HB3 ALA 453 HB3 ALA 453 23.666 0.884 -10.690 65 H TYR 454 HN TYR 454 19.882 -0.064 -9.426 66 HA TYR 454 HA TYR 454 20.256 0.352 -6.532 67 HB2 TYR 454 HB2 TYR 454 18.598 2.181 -8.276 68 HB3 TYR 454 HB1 TYR 454 18.951 2.369 -6.559 69 HD1 TYR 454 HD2 TYR 454 21.597 2.229 -6.012 70 HD2 TYR 454 HD1 TYR 454 19.874 3.467 -9.747 71 HE1 TYR 454 HE2 TYR 454 23.677 3.461 -6.562 72 HE2 TYR 454 HE1 TYR 454 21.955 4.698 -10.298 73 HH TYR 454 HH TYR 454 24.813 4.204 -8.877 74 H GLY 455 HN GLY 455 17.607 0.581 -8.916 75 HA2 GLY 455 HA2 GLY 455 15.482 -0.231 -7.450 76 HA3 GLY 455 HA1 GLY 455 15.686 -0.709 -9.131 77 H GLY 456 HN GLY 456 18.197 -2.189 -8.362 78 HA2 GLY 456 HA2 GLY 456 16.863 -4.607 -7.300 79 HA3 GLY 456 HA1 GLY 456 18.223 -4.620 -8.417 80 H LEU 457 HN LEU 457 20.118 -3.136 -7.432 81 HA LEU 457 HA LEU 457 21.414 -4.532 -5.492 82 HB2 LEU 457 HB2 LEU 457 22.472 -2.728 -6.774 83 HB3 LEU 457 HB1 LEU 457 21.515 -1.530 -5.908 84 HG LEU 457 HG LEU 457 22.589 -2.180 -3.787 85 HD11 LEU 457 HD11 LEU 457 23.155 -4.432 -3.907 86 HD12 LEU 457 HD12 LEU 457 24.727 -3.688 -4.203 87 HD13 LEU 457 HD13 LEU 457 23.769 -4.295 -5.555 88 HD21 LEU 457 HD21 LEU 457 24.534 -1.635 -6.050 89 HD22 LEU 457 HD22 LEU 457 24.893 -1.410 -4.338 90 HD23 LEU 457 HD23 LEU 457 23.655 -0.424 -5.115 91 H ARG 458 HN ARG 458 20.465 -1.312 -4.454 92 HA ARG 458 HA ARG 458 19.823 -0.596 -2.348 93 HB2 ARG 458 HB2 ARG 458 17.743 -2.033 -3.658 94 HB3 ARG 458 HB1 ARG 458 17.658 -2.419 -1.940 95 HG2 ARG 458 HG2 ARG 458 16.328 -0.420 -2.379 96 HG3 ARG 458 HG1 ARG 458 17.739 0.016 -1.416 97 HD2 ARG 458 HD2 ARG 458 18.319 0.137 -4.267 98 HD3 ARG 458 HD1 ARG 458 16.963 1.176 -3.841 99 HE ARG 458 HE ARG 458 19.688 1.665 -3.229 100 HH11 ARG 458 HH21 ARG 458 16.502 1.812 -1.890 101 HH12 ARG 458 HH22 ARG 458 16.865 3.117 -0.811 102 HH21 ARG 458 HH11 ARG 458 20.174 3.375 -1.816 103 HH22 ARG 458 HH12 ARG 458 18.944 4.002 -0.770 104 H GLY 459 HN GLY 459 21.643 -3.050 -2.513 105 HA2 GLY 459 HA2 GLY 459 20.995 -4.288 0.086 106 HA3 GLY 459 HA1 GLY 459 22.084 -4.963 -1.122 107 H ALA 460 HN ALA 460 22.293 -1.578 -0.504 108 HA ALA 460 HA ALA 460 24.572 -1.958 1.324 109 HB1 ALA 460 HB1 ALA 460 24.663 -0.143 -1.091 110 HB2 ALA 460 HB2 ALA 460 25.384 -1.751 -1.048 111 HB3 ALA 460 HB3 ALA 460 25.976 -0.489 0.033 112 H ILE 461 HN ILE 461 23.028 0.742 -0.422 113 HA ILE 461 HA ILE 461 23.293 2.645 1.585 114 HB ILE 461 HB ILE 461 21.355 2.301 -0.682 115 HG12 ILE 461 HG12 ILE 461 22.507 4.335 -1.473 116 HG13 ILE 461 HG11 ILE 461 23.447 4.388 0.019 117 HG21 ILE 461 HG21 ILE 461 19.923 3.387 0.835 118 HG22 ILE 461 HG22 ILE 461 20.673 4.728 -0.028 119 HG23 ILE 461 HG23 ILE 461 21.243 4.285 1.581 120 HD11 ILE 461 HD11 ILE 461 24.596 2.370 -0.511 121 HD12 ILE 461 HD12 ILE 461 24.592 3.309 -2.005 122 HD13 ILE 461 HD13 ILE 461 23.458 1.974 -1.799 123 H ALA 462 HN ALA 462 20.653 0.344 1.010 124 HA ALA 462 HA ALA 462 18.781 1.154 2.840 125 HB1 ALA 462 HB1 ALA 462 18.571 -0.822 1.328 126 HB2 ALA 462 HB2 ALA 462 18.058 -1.154 2.982 127 HB3 ALA 462 HB3 ALA 462 19.630 -1.718 2.416 128 H PHE 463 HN PHE 463 21.846 -0.437 3.457 129 HA PHE 463 HA PHE 463 21.267 -0.690 6.310 130 HB2 PHE 463 HB2 PHE 463 22.618 -2.460 6.025 131 HB3 PHE 463 HB1 PHE 463 23.121 -1.896 4.432 132 HD1 PHE 463 HD2 PHE 463 23.761 -1.564 8.079 133 HD2 PHE 463 HD1 PHE 463 25.195 -0.751 4.113 134 HE1 PHE 463 HE2 PHE 463 25.954 -0.881 9.013 135 HE2 PHE 463 HE1 PHE 463 27.388 -0.067 5.046 136 HZ PHE 463 HZ PHE 463 27.768 -0.132 7.497 137 H SER 464 HN SER 464 22.990 1.371 4.099 138 HA SER 464 HA SER 464 24.753 2.610 5.932 139 HB2 SER 464 HB2 SER 464 24.801 2.743 3.384 140 HB3 SER 464 HB1 SER 464 23.526 3.950 3.524 141 HG SER 464 HG SER 464 24.899 5.305 4.494 142 H LEU 465 HN LEU 465 21.392 3.204 5.067 143 HA LEU 465 HA LEU 465 21.287 5.604 6.728 144 HB2 LEU 465 HB2 LEU 465 19.033 5.864 5.904 145 HB3 LEU 465 HB1 LEU 465 20.076 5.469 4.538 146 HG LEU 465 HG LEU 465 19.316 2.974 5.435 147 HD11 LEU 465 HD11 LEU 465 16.821 4.681 5.456 148 HD12 LEU 465 HD12 LEU 465 17.672 4.258 6.941 149 HD13 LEU 465 HD13 LEU 465 16.987 2.989 5.926 150 HD21 LEU 465 HD21 LEU 465 17.676 3.129 3.462 151 HD22 LEU 465 HD22 LEU 465 19.364 3.505 3.111 152 HD23 LEU 465 HD23 LEU 465 18.193 4.809 3.309 153 H GLY 466 HN GLY 466 20.566 2.227 6.909 154 HA2 GLY 466 HA2 GLY 466 18.840 2.527 9.247 155 HA3 GLY 466 HA1 GLY 466 19.259 1.017 8.445 156 H TYR 467 HN TYR 467 22.067 2.702 8.758 157 HA TYR 467 HA TYR 467 22.897 1.080 11.044 158 HB2 TYR 467 HB2 TYR 467 24.513 0.932 9.392 159 HB3 TYR 467 HB1 TYR 467 24.306 2.610 8.891 160 HD1 TYR 467 HD1 TYR 467 25.630 0.434 11.604 161 HD2 TYR 467 HD2 TYR 467 25.585 4.364 9.872 162 HE1 TYR 467 HE1 TYR 467 27.496 1.110 13.091 163 HE2 TYR 467 HE2 TYR 467 27.449 5.041 11.359 164 HH TYR 467 HH TYR 467 29.432 3.067 12.836 165 H LEU 468 HN LEU 468 22.699 4.489 10.087 166 HA LEU 468 HA LEU 468 23.921 5.638 12.321 167 HB2 LEU 468 HB2 LEU 468 21.604 6.728 10.706 168 HB3 LEU 468 HB1 LEU 468 22.663 7.668 11.756 169 HG LEU 468 HG LEU 468 23.922 5.988 9.622 170 HD11 LEU 468 HD11 LEU 468 23.694 8.026 8.100 171 HD12 LEU 468 HD12 LEU 468 22.418 8.574 9.187 172 HD13 LEU 468 HD13 LEU 468 22.240 7.053 8.310 173 HD21 LEU 468 HD21 LEU 468 25.690 7.463 9.880 174 HD22 LEU 468 HD22 LEU 468 24.989 7.553 11.495 175 HD23 LEU 468 HD23 LEU 468 24.640 8.812 10.310 176 H LEU 469 HN LEU 469 20.400 5.786 11.833 177 HA LEU 469 HA LEU 469 19.668 6.340 14.421 178 HB2 LEU 469 HB2 LEU 469 17.473 5.347 13.882 179 HB3 LEU 469 HB1 LEU 469 18.074 6.351 12.564 180 HG LEU 469 HG LEU 469 19.141 3.878 11.959 181 HD11 LEU 469 HD11 LEU 469 17.781 2.831 13.741 182 HD12 LEU 469 HD12 LEU 469 17.266 2.287 12.145 183 HD13 LEU 469 HD13 LEU 469 16.319 3.497 13.011 184 HD21 LEU 469 HD21 LEU 469 18.172 5.270 10.280 185 HD22 LEU 469 HD22 LEU 469 16.603 5.278 11.087 186 HD23 LEU 469 HD23 LEU 469 17.183 3.811 10.297 187 H ASP 470 HN ASP 470 21.121 3.492 13.297 188 HA ASP 470 HA ASP 470 20.101 1.872 15.525 189 HB2 ASP 470 HB2 ASP 470 21.514 1.297 12.960 190 HB3 ASP 470 HB1 ASP 470 21.734 0.175 14.302 191 H LYS 471 HN LYS 471 23.011 3.441 14.346 192 HA LYS 471 HA LYS 471 24.647 2.290 16.463 193 HB2 LYS 471 HB2 LYS 471 26.483 3.116 15.318 194 HB3 LYS 471 HB1 LYS 471 25.338 2.909 14.000 195 HG2 LYS 471 HG2 LYS 471 26.079 5.077 13.603 196 HG3 LYS 471 HG1 LYS 471 24.634 5.377 14.559 197 HD2 LYS 471 HD2 LYS 471 25.917 6.550 15.995 198 HD3 LYS 471 HD1 LYS 471 26.735 5.055 16.436 199 HE2 LYS 471 HE2 LYS 471 28.345 6.767 15.673 200 HE3 LYS 471 HE1 LYS 471 28.336 5.371 14.595 201 HZ1 LYS 471 HZ1 LYS 471 27.857 8.029 13.942 202 HZ2 LYS 471 HZ2 LYS 471 26.379 7.211 13.759 203 HZ3 LYS 471 HZ3 LYS 471 27.759 6.676 12.924 204 H LYS 472 HN LYS 472 22.843 5.180 15.807 205 HA LYS 472 HA LYS 472 24.134 6.897 17.675 206 HB2 LYS 472 HB2 LYS 472 21.332 6.946 16.533 207 HB3 LYS 472 HB1 LYS 472 22.042 8.243 17.494 208 HG2 LYS 472 HG2 LYS 472 23.835 7.433 15.360 209 HG3 LYS 472 HG1 LYS 472 22.263 7.910 14.718 210 HD2 LYS 472 HD2 LYS 472 22.379 10.029 15.955 211 HD3 LYS 472 HD1 LYS 472 23.933 9.554 16.642 212 HE2 LYS 472 HE2 LYS 472 23.805 9.371 13.703 213 HE3 LYS 472 HE1 LYS 472 23.645 11.009 14.336 214 HZ1 LYS 472 HZ1 LYS 472 25.644 10.417 15.765 215 HZ2 LYS 472 HZ2 LYS 472 25.924 10.687 14.112 216 HZ3 LYS 472 HZ3 LYS 472 25.868 9.100 14.719 217 HN1 NH2 473 H1 NH2 473 21.035 5.062 17.980 218 HN2 NH2 473 H2 NH2 473 21.075 5.012 19.676 Start of MODEL 7 1 H1 ACE 446 HA2 ACE 446 19.024 2.894 -20.900 2 H2 ACE 446 HA3 ACE 446 18.064 1.555 -21.529 3 H3 ACE 446 HA1 ACE 446 19.562 1.231 -20.658 4 H LYS 447 HN LYS 447 17.817 -0.177 -19.524 5 HA LYS 447 HA LYS 447 16.954 1.302 -17.132 6 HB2 LYS 447 HB2 LYS 447 15.183 -0.707 -18.535 7 HB3 LYS 447 HB1 LYS 447 14.777 0.283 -17.134 8 HG2 LYS 447 HG2 LYS 447 15.355 2.294 -18.700 9 HG3 LYS 447 HG1 LYS 447 15.124 1.125 -20.001 10 HD2 LYS 447 HD2 LYS 447 13.112 1.947 -17.893 11 HD3 LYS 447 HD1 LYS 447 12.999 2.194 -19.635 12 HE2 LYS 447 HE2 LYS 447 13.203 -0.411 -19.762 13 HE3 LYS 447 HE1 LYS 447 12.711 -0.357 -18.069 14 HZ1 LYS 447 HZ1 LYS 447 10.982 -0.417 -20.069 15 HZ2 LYS 447 HZ2 LYS 447 11.166 1.266 -19.928 16 HZ3 LYS 447 HZ3 LYS 447 10.649 0.349 -18.593 17 H ASP 448 HN ASP 448 17.437 -1.852 -18.685 18 HA ASP 448 HA ASP 448 17.358 -3.454 -16.386 19 HB2 ASP 448 HB2 ASP 448 17.356 -4.359 -18.679 20 HB3 ASP 448 HB1 ASP 448 19.028 -3.839 -18.880 21 H GLN 449 HN GLN 449 19.877 -1.400 -17.680 22 HA GLN 449 HA GLN 449 21.902 -2.452 -15.877 23 HB2 GLN 449 HB2 GLN 449 21.881 -0.191 -17.881 24 HB3 GLN 449 HB1 GLN 449 23.266 -0.544 -16.848 25 HG2 GLN 449 HG2 GLN 449 22.222 -2.942 -18.148 26 HG3 GLN 449 HG1 GLN 449 22.732 -1.720 -19.312 27 HE21 GLN 449 HE21 GLN 449 23.881 -4.261 -17.387 28 HE22 GLN 449 HE22 GLN 449 25.529 -3.855 -17.402 29 H PHE 450 HN PHE 450 19.410 -0.146 -15.766 30 HA PHE 450 HA PHE 450 20.715 1.525 -13.754 31 HB2 PHE 450 HB2 PHE 450 17.980 1.625 -15.043 32 HB3 PHE 450 HB1 PHE 450 18.513 2.745 -13.790 33 HD1 PHE 450 HD2 PHE 450 19.293 1.482 -17.206 34 HD2 PHE 450 HD1 PHE 450 19.947 4.574 -14.296 35 HE1 PHE 450 HE2 PHE 450 20.454 2.849 -18.919 36 HE2 PHE 450 HE1 PHE 450 21.109 5.940 -16.009 37 HZ PHE 450 HZ PHE 450 21.363 5.078 -18.321 38 H ILE 451 HN ILE 451 17.902 -0.639 -14.019 39 HA ILE 451 HA ILE 451 16.985 -0.476 -11.397 40 HB ILE 451 HB ILE 451 16.988 -2.833 -13.295 41 HG12 ILE 451 HG12 ILE 451 14.553 -1.264 -12.617 42 HG13 ILE 451 HG11 ILE 451 15.753 -0.449 -13.618 43 HG21 ILE 451 HG21 ILE 451 15.015 -3.533 -11.817 44 HG22 ILE 451 HG22 ILE 451 15.618 -2.368 -10.639 45 HG23 ILE 451 HG23 ILE 451 16.621 -3.738 -11.117 46 HD11 ILE 451 HD11 ILE 451 15.579 -2.035 -15.342 47 HD12 ILE 451 HD12 ILE 451 13.911 -1.877 -14.792 48 HD13 ILE 451 HD13 ILE 451 14.882 -3.254 -14.277 49 H ILE 452 HN ILE 452 19.054 -3.085 -12.701 50 HA ILE 452 HA ILE 452 19.705 -4.293 -10.294 51 HB ILE 452 HB ILE 452 21.670 -5.193 -11.435 52 HG12 ILE 452 HG12 ILE 452 21.072 -2.990 -13.430 53 HG13 ILE 452 HG11 ILE 452 22.548 -3.204 -12.486 54 HG21 ILE 452 HG21 ILE 452 19.269 -5.880 -12.048 55 HG22 ILE 452 HG22 ILE 452 20.530 -6.289 -13.211 56 HG23 ILE 452 HG23 ILE 452 19.482 -4.900 -13.498 57 HD11 ILE 452 HD11 ILE 452 23.096 -4.066 -14.622 58 HD12 ILE 452 HD12 ILE 452 21.539 -4.876 -14.788 59 HD13 ILE 452 HD13 ILE 452 22.739 -5.497 -13.655 60 H ALA 453 HN ALA 453 20.675 -1.237 -11.515 61 HA ALA 453 HA ALA 453 23.110 -0.958 -10.035 62 HB1 ALA 453 HB1 ALA 453 23.250 1.099 -11.011 63 HB2 ALA 453 HB2 ALA 453 21.547 1.463 -10.730 64 HB3 ALA 453 HB3 ALA 453 22.017 0.426 -12.078 65 H TYR 454 HN TYR 454 19.787 0.236 -9.554 66 HA TYR 454 HA TYR 454 20.476 1.076 -6.833 67 HB2 TYR 454 HB2 TYR 454 17.758 1.319 -8.098 68 HB3 TYR 454 HB1 TYR 454 18.482 2.316 -6.838 69 HD1 TYR 454 HD1 TYR 454 21.000 3.183 -7.710 70 HD2 TYR 454 HD2 TYR 454 17.510 2.469 -10.113 71 HE1 TYR 454 HE1 TYR 454 21.863 4.746 -9.430 72 HE2 TYR 454 HE2 TYR 454 18.375 4.032 -11.833 73 HH TYR 454 HH TYR 454 21.313 4.894 -12.220 74 H GLY 455 HN GLY 455 20.153 -1.791 -7.854 75 HA2 GLY 455 HA2 GLY 455 19.103 -3.762 -7.223 76 HA3 GLY 455 HA1 GLY 455 19.326 -3.084 -5.612 77 H GLY 456 HN GLY 456 17.104 -3.218 -8.360 78 HA2 GLY 456 HA2 GLY 456 14.825 -2.956 -8.515 79 HA3 GLY 456 HA1 GLY 456 14.792 -3.689 -6.915 80 H LEU 457 HN LEU 457 16.654 -0.900 -6.861 81 HA LEU 457 HA LEU 457 16.341 1.160 -5.896 82 HB2 LEU 457 HB2 LEU 457 15.025 1.498 -7.990 83 HB3 LEU 457 HB1 LEU 457 13.582 0.954 -7.137 84 HG LEU 457 HG LEU 457 14.941 2.990 -5.594 85 HD11 LEU 457 HD11 LEU 457 14.558 4.872 -7.158 86 HD12 LEU 457 HD12 LEU 457 14.147 3.718 -8.427 87 HD13 LEU 457 HD13 LEU 457 15.782 3.760 -7.767 88 HD21 LEU 457 HD21 LEU 457 12.733 3.978 -5.588 89 HD22 LEU 457 HD22 LEU 457 12.528 2.229 -5.482 90 HD23 LEU 457 HD23 LEU 457 12.263 3.058 -7.017 91 H ARG 458 HN ARG 458 14.991 -1.540 -4.836 92 HA ARG 458 HA ARG 458 12.873 -1.074 -3.199 93 HB2 ARG 458 HB2 ARG 458 15.342 -2.537 -2.253 94 HB3 ARG 458 HB1 ARG 458 13.674 -2.819 -1.759 95 HG2 ARG 458 HG2 ARG 458 14.847 -3.305 -4.513 96 HG3 ARG 458 HG1 ARG 458 14.327 -4.532 -3.362 97 HD2 ARG 458 HD2 ARG 458 12.647 -2.615 -4.953 98 HD3 ARG 458 HD1 ARG 458 12.495 -4.361 -4.818 99 HE ARG 458 HE ARG 458 12.041 -3.478 -2.272 100 HH11 ARG 458 HH21 ARG 458 10.785 -2.710 -5.404 101 HH12 ARG 458 HH22 ARG 458 9.214 -2.273 -4.819 102 HH21 ARG 458 HH11 ARG 458 9.984 -2.904 -1.497 103 HH22 ARG 458 HH12 ARG 458 8.761 -2.383 -2.608 104 H GLY 459 HN GLY 459 15.999 0.354 -2.973 105 HA2 GLY 459 HA2 GLY 459 15.895 1.112 -0.215 106 HA3 GLY 459 HA1 GLY 459 16.974 1.777 -1.438 107 H ALA 460 HN ALA 460 13.428 1.715 -1.438 108 HA ALA 460 HA ALA 460 13.315 4.587 -0.912 109 HB1 ALA 460 HB1 ALA 460 12.277 5.189 -2.946 110 HB2 ALA 460 HB2 ALA 460 12.004 3.506 -3.400 111 HB3 ALA 460 HB3 ALA 460 13.636 4.173 -3.428 112 H ILE 461 HN ILE 461 11.637 1.561 -1.597 113 HA ILE 461 HA ILE 461 9.046 2.417 -0.821 114 HB ILE 461 HB ILE 461 10.385 -0.254 -1.125 115 HG12 ILE 461 HG12 ILE 461 8.729 -0.504 -2.892 116 HG13 ILE 461 HG11 ILE 461 7.918 0.979 -2.390 117 HG21 ILE 461 HG21 ILE 461 9.005 -0.766 0.710 118 HG22 ILE 461 HG22 ILE 461 7.977 -1.137 -0.674 119 HG23 ILE 461 HG23 ILE 461 7.757 0.374 0.208 120 HD11 ILE 461 HD11 ILE 461 10.826 0.976 -3.192 121 HD12 ILE 461 HD12 ILE 461 9.715 2.342 -3.108 122 HD13 ILE 461 HD13 ILE 461 9.542 1.143 -4.390 123 H ALA 462 HN ALA 462 11.786 1.088 0.949 124 HA ALA 462 HA ALA 462 10.411 0.620 3.395 125 HB1 ALA 462 HB1 ALA 462 12.761 0.691 4.361 126 HB2 ALA 462 HB2 ALA 462 13.328 1.035 2.727 127 HB3 ALA 462 HB3 ALA 462 12.501 -0.485 3.073 128 H PHE 463 HN PHE 463 11.831 3.437 1.920 129 HA PHE 463 HA PHE 463 11.711 4.989 4.388 130 HB2 PHE 463 HB2 PHE 463 13.394 6.047 3.349 131 HB3 PHE 463 HB1 PHE 463 13.046 5.223 1.829 132 HD1 PHE 463 HD1 PHE 463 11.992 8.082 3.981 133 HD2 PHE 463 HD2 PHE 463 11.949 6.344 0.053 134 HE1 PHE 463 HE1 PHE 463 11.024 10.174 3.065 135 HE2 PHE 463 HE2 PHE 463 10.982 8.436 -0.863 136 HZ PHE 463 HZ PHE 463 10.519 10.350 0.644 137 H SER 464 HN SER 464 10.151 4.937 1.192 138 HA SER 464 HA SER 464 8.445 7.116 1.497 139 HB2 SER 464 HB2 SER 464 8.495 4.679 -0.168 140 HB3 SER 464 HB1 SER 464 6.906 5.406 0.045 141 HG SER 464 HG SER 464 9.284 6.656 -0.883 142 H LEU 465 HN LEU 465 8.357 4.002 2.999 143 HA LEU 465 HA LEU 465 5.569 4.105 3.739 144 HB2 LEU 465 HB2 LEU 465 7.766 2.217 3.948 145 HB3 LEU 465 HB1 LEU 465 6.855 2.321 5.457 146 HG LEU 465 HG LEU 465 4.755 1.949 4.228 147 HD11 LEU 465 HD11 LEU 465 4.733 2.495 2.039 148 HD12 LEU 465 HD12 LEU 465 5.623 1.004 1.735 149 HD13 LEU 465 HD13 LEU 465 6.494 2.520 1.969 150 HD21 LEU 465 HD21 LEU 465 6.832 -0.118 3.444 151 HD22 LEU 465 HD22 LEU 465 5.110 -0.390 3.697 152 HD23 LEU 465 HD23 LEU 465 6.147 0.018 5.063 153 H GLY 466 HN GLY 466 8.500 4.006 5.774 154 HA2 GLY 466 HA2 GLY 466 7.234 5.020 8.085 155 HA3 GLY 466 HA1 GLY 466 8.972 4.978 7.806 156 H TYR 467 HN TYR 467 7.651 6.585 5.248 157 HA TYR 467 HA TYR 467 8.535 9.158 6.260 158 HB2 TYR 467 HB2 TYR 467 9.176 9.150 4.090 159 HB3 TYR 467 HB1 TYR 467 7.959 7.959 3.633 160 HD1 TYR 467 HD2 TYR 467 8.276 11.536 4.705 161 HD2 TYR 467 HD1 TYR 467 6.084 8.644 2.406 162 HE1 TYR 467 HE2 TYR 467 6.857 13.347 3.776 163 HE2 TYR 467 HE1 TYR 467 4.665 10.453 1.480 164 HH TYR 467 HH TYR 467 4.177 12.618 1.541 165 H LEU 468 HN LEU 468 5.530 7.522 5.526 166 HA LEU 468 HA LEU 468 3.902 9.886 5.629 167 HB2 LEU 468 HB2 LEU 468 3.159 6.958 5.828 168 HB3 LEU 468 HB1 LEU 468 2.015 8.288 5.639 169 HG LEU 468 HG LEU 468 4.076 8.548 3.655 170 HD11 LEU 468 HD11 LEU 468 4.355 6.098 3.999 171 HD12 LEU 468 HD12 LEU 468 3.717 6.478 2.400 172 HD13 LEU 468 HD13 LEU 468 2.639 5.876 3.660 173 HD21 LEU 468 HD21 LEU 468 2.160 8.519 2.149 174 HD22 LEU 468 HD22 LEU 468 1.726 9.421 3.600 175 HD23 LEU 468 HD23 LEU 468 1.156 7.767 3.388 176 H LEU 469 HN LEU 469 3.983 7.019 7.759 177 HA LEU 469 HA LEU 469 2.544 8.150 9.867 178 HB2 LEU 469 HB2 LEU 469 4.298 6.408 11.120 179 HB3 LEU 469 HB1 LEU 469 2.727 5.985 10.446 180 HG LEU 469 HG LEU 469 5.208 6.020 8.722 181 HD11 LEU 469 HD11 LEU 469 4.175 3.833 10.534 182 HD12 LEU 469 HD12 LEU 469 5.807 4.498 10.456 183 HD13 LEU 469 HD13 LEU 469 5.197 3.499 9.137 184 HD21 LEU 469 HD21 LEU 469 2.539 5.753 8.120 185 HD22 LEU 469 HD22 LEU 469 3.020 4.070 8.329 186 HD23 LEU 469 HD23 LEU 469 3.846 5.081 7.143 187 H ASP 470 HN ASP 470 5.627 8.947 8.751 188 HA ASP 470 HA ASP 470 6.647 9.848 11.329 189 HB2 ASP 470 HB2 ASP 470 8.371 9.052 9.962 190 HB3 ASP 470 HB1 ASP 470 7.711 9.821 8.520 191 H LYS 471 HN LYS 471 5.322 11.207 8.349 192 HA LYS 471 HA LYS 471 5.479 13.909 9.504 193 HB2 LYS 471 HB2 LYS 471 4.695 13.068 6.704 194 HB3 LYS 471 HB1 LYS 471 4.996 14.713 7.261 195 HG2 LYS 471 HG2 LYS 471 7.039 12.470 7.248 196 HG3 LYS 471 HG1 LYS 471 6.965 13.786 6.076 197 HD2 LYS 471 HD2 LYS 471 7.034 15.300 8.247 198 HD3 LYS 471 HD1 LYS 471 7.763 13.863 8.964 199 HE2 LYS 471 HE2 LYS 471 9.613 15.072 8.137 200 HE3 LYS 471 HE1 LYS 471 9.313 13.862 6.891 201 HZ1 LYS 471 HZ1 LYS 471 8.967 16.736 6.799 202 HZ2 LYS 471 HZ2 LYS 471 7.712 15.838 6.090 203 HZ3 LYS 471 HZ3 LYS 471 9.311 15.642 5.550 204 H LYS 472 HN LYS 472 3.141 11.716 7.943 205 HA LYS 472 HA LYS 472 0.879 13.365 8.450 206 HB2 LYS 472 HB2 LYS 472 1.243 10.477 7.694 207 HB3 LYS 472 HB1 LYS 472 -0.355 11.116 8.078 208 HG2 LYS 472 HG2 LYS 472 0.226 11.208 5.625 209 HG3 LYS 472 HG1 LYS 472 -0.188 12.773 6.327 210 HD2 LYS 472 HD2 LYS 472 2.086 13.455 6.422 211 HD3 LYS 472 HD1 LYS 472 2.669 11.810 6.162 212 HE2 LYS 472 HE2 LYS 472 2.058 11.826 3.883 213 HE3 LYS 472 HE1 LYS 472 0.974 13.201 4.092 214 HZ1 LYS 472 HZ1 LYS 472 3.881 13.424 4.576 215 HZ2 LYS 472 HZ2 LYS 472 2.755 14.668 4.307 216 HZ3 LYS 472 HZ3 LYS 472 3.218 13.645 3.032 217 HN1 NH2 473 H1 NH2 473 0.829 10.078 9.768 218 HN2 NH2 473 H2 NH2 473 0.500 10.543 11.367 Start of MODEL 8 1 H1 ACE 446 HA2 ACE 446 17.870 0.887 -21.889 2 H2 ACE 446 HA3 ACE 446 19.245 0.284 -20.961 3 H3 ACE 446 HA1 ACE 446 19.069 2.014 -21.252 4 H LYS 447 HN LYS 447 17.787 -0.755 -19.496 5 HA LYS 447 HA LYS 447 16.755 1.078 -17.445 6 HB2 LYS 447 HB2 LYS 447 15.169 -0.937 -18.993 7 HB3 LYS 447 HB1 LYS 447 14.765 -0.637 -17.302 8 HG2 LYS 447 HG2 LYS 447 14.309 1.658 -17.702 9 HG3 LYS 447 HG1 LYS 447 15.102 1.622 -19.277 10 HD2 LYS 447 HD2 LYS 447 12.607 1.609 -19.447 11 HD3 LYS 447 HD1 LYS 447 13.351 0.186 -20.176 12 HE2 LYS 447 HE2 LYS 447 11.320 -0.204 -18.630 13 HE3 LYS 447 HE1 LYS 447 12.747 -1.205 -18.359 14 HZ1 LYS 447 HZ1 LYS 447 12.005 -0.366 -16.271 15 HZ2 LYS 447 HZ2 LYS 447 11.957 1.229 -16.854 16 HZ3 LYS 447 HZ3 LYS 447 13.448 0.434 -16.663 17 H ASP 448 HN ASP 448 17.675 -2.183 -18.415 18 HA ASP 448 HA ASP 448 17.527 -3.421 -15.887 19 HB2 ASP 448 HB2 ASP 448 18.573 -4.051 -18.513 20 HB3 ASP 448 HB1 ASP 448 19.662 -4.616 -17.249 21 H GLN 449 HN GLN 449 20.321 -1.971 -17.573 22 HA GLN 449 HA GLN 449 22.164 -2.331 -15.467 23 HB2 GLN 449 HB2 GLN 449 22.146 -0.195 -17.612 24 HB3 GLN 449 HB1 GLN 449 23.536 -0.676 -16.639 25 HG2 GLN 449 HG2 GLN 449 22.885 -3.092 -17.562 26 HG3 GLN 449 HG1 GLN 449 22.184 -2.138 -18.867 27 HE21 GLN 449 HE21 GLN 449 25.077 -3.554 -17.804 28 HE22 GLN 449 HE22 GLN 449 26.151 -2.678 -18.784 29 H PHE 450 HN PHE 450 19.522 -0.203 -15.789 30 HA PHE 450 HA PHE 450 20.604 1.794 -13.951 31 HB2 PHE 450 HB2 PHE 450 17.954 1.531 -15.383 32 HB3 PHE 450 HB1 PHE 450 18.308 2.818 -14.233 33 HD1 PHE 450 HD1 PHE 450 19.976 4.542 -14.733 34 HD2 PHE 450 HD2 PHE 450 19.074 1.426 -17.549 35 HE1 PHE 450 HE1 PHE 450 21.142 5.815 -16.513 36 HE2 PHE 450 HE2 PHE 450 20.241 2.698 -19.330 37 HZ PHE 450 HZ PHE 450 21.276 4.892 -18.812 38 H ILE 451 HN ILE 451 18.041 -0.656 -14.054 39 HA ILE 451 HA ILE 451 17.191 -0.190 -11.353 40 HB ILE 451 HB ILE 451 16.676 -2.435 -13.310 41 HG12 ILE 451 HG12 ILE 451 14.585 -0.596 -12.237 42 HG13 ILE 451 HG11 ILE 451 15.735 0.081 -13.391 43 HG21 ILE 451 HG21 ILE 451 14.714 -2.666 -11.453 44 HG22 ILE 451 HG22 ILE 451 16.048 -2.150 -10.423 45 HG23 ILE 451 HG23 ILE 451 16.203 -3.608 -11.403 46 HD11 ILE 451 HD11 ILE 451 15.138 -1.495 -15.072 47 HD12 ILE 451 HD12 ILE 451 13.608 -0.950 -14.383 48 HD13 ILE 451 HD13 ILE 451 14.279 -2.514 -13.917 49 H ILE 452 HN ILE 452 18.982 -2.840 -12.937 50 HA ILE 452 HA ILE 452 19.553 -4.339 -10.658 51 HB ILE 452 HB ILE 452 21.058 -3.966 -13.247 52 HG12 ILE 452 HG12 ILE 452 19.738 -6.476 -12.256 53 HG13 ILE 452 HG11 ILE 452 18.741 -5.184 -12.925 54 HG21 ILE 452 HG21 ILE 452 22.218 -6.140 -12.454 55 HG22 ILE 452 HG22 ILE 452 21.712 -5.657 -10.836 56 HG23 ILE 452 HG23 ILE 452 22.785 -4.615 -11.771 57 HD11 ILE 452 HD11 ILE 452 21.168 -5.968 -14.468 58 HD12 ILE 452 HD12 ILE 452 19.589 -5.436 -15.049 59 HD13 ILE 452 HD13 ILE 452 19.806 -7.090 -14.478 60 H ALA 453 HN ALA 453 20.537 -1.211 -11.377 61 HA ALA 453 HA ALA 453 23.075 -1.365 -9.943 62 HB1 ALA 453 HB1 ALA 453 23.276 1.016 -10.486 63 HB2 ALA 453 HB2 ALA 453 21.628 1.022 -11.118 64 HB3 ALA 453 HB3 ALA 453 22.883 0.086 -11.931 65 H TYR 454 HN TYR 454 19.922 0.255 -9.598 66 HA TYR 454 HA TYR 454 20.486 0.568 -6.708 67 HB2 TYR 454 HB2 TYR 454 18.497 2.295 -8.124 68 HB3 TYR 454 HB1 TYR 454 19.472 2.646 -6.696 69 HD1 TYR 454 HD2 TYR 454 22.183 1.931 -7.534 70 HD2 TYR 454 HD1 TYR 454 19.065 3.903 -9.738 71 HE1 TYR 454 HE2 TYR 454 23.884 3.025 -8.967 72 HE2 TYR 454 HE1 TYR 454 20.768 4.995 -11.171 73 HH TYR 454 HH TYR 454 23.630 4.071 -11.651 74 H GLY 455 HN GLY 455 17.600 0.720 -8.804 75 HA2 GLY 455 HA2 GLY 455 15.684 -0.103 -7.057 76 HA3 GLY 455 HA1 GLY 455 15.657 -0.548 -8.760 77 H GLY 456 HN GLY 456 18.203 -2.059 -8.472 78 HA2 GLY 456 HA2 GLY 456 17.399 -4.298 -6.747 79 HA3 GLY 456 HA1 GLY 456 17.632 -4.607 -8.466 80 H LEU 457 HN LEU 457 19.480 -2.417 -6.387 81 HA LEU 457 HA LEU 457 21.984 -2.904 -7.323 82 HB2 LEU 457 HB2 LEU 457 21.425 -1.239 -5.564 83 HB3 LEU 457 HB1 LEU 457 21.292 -2.550 -4.394 84 HG LEU 457 HG LEU 457 23.802 -2.596 -5.928 85 HD11 LEU 457 HD11 LEU 457 23.725 -0.217 -5.836 86 HD12 LEU 457 HD12 LEU 457 24.732 -0.702 -4.472 87 HD13 LEU 457 HD13 LEU 457 23.054 -0.228 -4.206 88 HD21 LEU 457 HD21 LEU 457 24.714 -2.963 -3.669 89 HD22 LEU 457 HD22 LEU 457 23.315 -4.003 -3.942 90 HD23 LEU 457 HD23 LEU 457 23.153 -2.545 -2.962 91 H ARG 458 HN ARG 458 20.004 -5.085 -5.547 92 HA ARG 458 HA ARG 458 21.645 -6.767 -4.196 93 HB2 ARG 458 HB2 ARG 458 19.272 -7.281 -5.947 94 HB3 ARG 458 HB1 ARG 458 20.159 -8.650 -5.277 95 HG2 ARG 458 HG2 ARG 458 18.302 -7.957 -3.790 96 HG3 ARG 458 HG1 ARG 458 19.870 -7.750 -3.009 97 HD2 ARG 458 HD2 ARG 458 19.860 -5.383 -3.445 98 HD3 ARG 458 HD1 ARG 458 18.441 -5.523 -4.479 99 HE ARG 458 HE ARG 458 17.104 -5.647 -2.562 100 HH11 ARG 458 HH21 ARG 458 20.475 -5.889 -1.816 101 HH12 ARG 458 HH22 ARG 458 20.252 -5.693 -0.110 102 HH21 ARG 458 HH11 ARG 458 16.805 -5.387 -0.326 103 HH22 ARG 458 HH12 ARG 458 18.174 -5.408 0.735 104 H GLY 459 HN GLY 459 21.721 -6.137 -7.588 105 HA2 GLY 459 HA2 GLY 459 22.907 -8.450 -8.606 106 HA3 GLY 459 HA1 GLY 459 23.164 -6.829 -9.245 107 H ALA 460 HN ALA 460 24.062 -6.492 -6.169 108 HA ALA 460 HA ALA 460 26.895 -6.858 -6.810 109 HB1 ALA 460 HB1 ALA 460 27.210 -5.593 -4.640 110 HB2 ALA 460 HB2 ALA 460 25.456 -5.416 -4.580 111 HB3 ALA 460 HB3 ALA 460 26.369 -4.705 -5.910 112 H ILE 461 HN ILE 461 24.385 -8.253 -4.890 113 HA ILE 461 HA ILE 461 26.257 -9.707 -3.185 114 HB ILE 461 HB ILE 461 23.269 -9.424 -3.299 115 HG12 ILE 461 HG12 ILE 461 23.618 -8.781 -0.944 116 HG13 ILE 461 HG11 ILE 461 25.340 -9.138 -1.096 117 HG21 ILE 461 HG21 ILE 461 23.385 -11.747 -2.956 118 HG22 ILE 461 HG22 ILE 461 23.376 -11.108 -1.312 119 HG23 ILE 461 HG23 ILE 461 24.892 -11.631 -2.046 120 HD11 ILE 461 HD11 ILE 461 25.728 -7.313 -2.510 121 HD12 ILE 461 HD12 ILE 461 24.529 -6.666 -1.390 122 HD13 ILE 461 HD13 ILE 461 24.036 -7.205 -2.994 123 H ALA 462 HN ALA 462 23.980 -10.301 -5.823 124 HA ALA 462 HA ALA 462 24.177 -13.122 -5.841 125 HB1 ALA 462 HB1 ALA 462 23.277 -11.032 -7.772 126 HB2 ALA 462 HB2 ALA 462 22.389 -12.402 -7.103 127 HB3 ALA 462 HB3 ALA 462 23.573 -12.659 -8.385 128 H PHE 463 HN PHE 463 26.184 -10.585 -7.175 129 HA PHE 463 HA PHE 463 27.749 -12.424 -8.791 130 HB2 PHE 463 HB2 PHE 463 28.081 -10.501 -9.900 131 HB3 PHE 463 HB1 PHE 463 27.432 -9.550 -8.564 132 HD1 PHE 463 HD1 PHE 463 30.495 -11.245 -9.830 133 HD2 PHE 463 HD2 PHE 463 28.868 -8.414 -7.040 134 HE1 PHE 463 HE1 PHE 463 32.789 -10.514 -9.232 135 HE2 PHE 463 HE2 PHE 463 31.160 -7.681 -6.444 136 HZ PHE 463 HZ PHE 463 33.122 -8.732 -7.539 137 H SER 464 HN SER 464 28.183 -10.497 -5.836 138 HA SER 464 HA SER 464 30.853 -11.143 -5.310 139 HB2 SER 464 HB2 SER 464 28.542 -10.449 -3.506 140 HB3 SER 464 HB1 SER 464 30.155 -10.760 -2.871 141 HG SER 464 HG SER 464 30.560 -9.163 -4.851 142 H LEU 465 HN LEU 465 28.014 -13.080 -5.123 143 HA LEU 465 HA LEU 465 29.080 -15.010 -3.257 144 HB2 LEU 465 HB2 LEU 465 26.558 -14.514 -4.597 145 HB3 LEU 465 HB1 LEU 465 27.006 -16.218 -4.692 146 HG LEU 465 HG LEU 465 27.366 -16.263 -2.252 147 HD11 LEU 465 HD11 LEU 465 27.797 -14.297 -1.235 148 HD12 LEU 465 HD12 LEU 465 26.081 -13.922 -1.386 149 HD13 LEU 465 HD13 LEU 465 27.212 -13.386 -2.628 150 HD21 LEU 465 HD21 LEU 465 24.776 -15.234 -1.913 151 HD22 LEU 465 HD22 LEU 465 25.200 -16.904 -2.290 152 HD23 LEU 465 HD23 LEU 465 24.832 -15.772 -3.592 153 H GLY 466 HN GLY 466 28.012 -15.426 -6.636 154 HA2 GLY 466 HA2 GLY 466 29.482 -17.794 -7.071 155 HA3 GLY 466 HA1 GLY 466 28.815 -16.761 -8.331 156 H TYR 467 HN TYR 467 30.709 -14.835 -6.441 157 HA TYR 467 HA TYR 467 32.782 -14.669 -8.433 158 HB2 TYR 467 HB2 TYR 467 32.254 -12.586 -7.533 159 HB3 TYR 467 HB1 TYR 467 32.139 -13.214 -5.889 160 HD1 TYR 467 HD1 TYR 467 34.486 -12.332 -8.621 161 HD2 TYR 467 HD2 TYR 467 34.075 -13.419 -4.486 162 HE1 TYR 467 HE1 TYR 467 36.864 -11.741 -8.229 163 HE2 TYR 467 HE2 TYR 467 36.451 -12.834 -4.094 164 HH TYR 467 HH TYR 467 38.168 -11.293 -5.192 165 H LEU 468 HN LEU 468 32.547 -15.761 -5.066 166 HA LEU 468 HA LEU 468 35.253 -16.253 -4.580 167 HB2 LEU 468 HB2 LEU 468 32.868 -17.809 -3.552 168 HB3 LEU 468 HB1 LEU 468 34.486 -17.815 -2.850 169 HG LEU 468 HG LEU 468 33.139 -15.175 -3.256 170 HD11 LEU 468 HD11 LEU 468 32.432 -17.216 -1.144 171 HD12 LEU 468 HD12 LEU 468 31.340 -16.340 -2.217 172 HD13 LEU 468 HD13 LEU 468 32.168 -15.487 -0.912 173 HD21 LEU 468 HD21 LEU 468 35.542 -15.798 -2.299 174 HD22 LEU 468 HD22 LEU 468 34.630 -16.056 -0.812 175 HD23 LEU 468 HD23 LEU 468 34.606 -14.479 -1.598 176 H LEU 469 HN LEU 469 32.769 -18.515 -5.797 177 HA LEU 469 HA LEU 469 34.493 -20.707 -6.164 178 HB2 LEU 469 HB2 LEU 469 32.592 -20.931 -8.188 179 HB3 LEU 469 HB1 LEU 469 32.470 -21.596 -6.560 180 HG LEU 469 HG LEU 469 31.639 -18.756 -7.192 181 HD11 LEU 469 HD11 LEU 469 29.301 -20.149 -6.918 182 HD12 LEU 469 HD12 LEU 469 30.290 -21.311 -7.802 183 HD13 LEU 469 HD13 LEU 469 30.012 -19.702 -8.469 184 HD21 LEU 469 HD21 LEU 469 30.297 -20.348 -5.104 185 HD22 LEU 469 HD22 LEU 469 30.939 -18.708 -5.023 186 HD23 LEU 469 HD23 LEU 469 32.015 -20.089 -4.806 187 H ASP 470 HN ASP 470 34.493 -17.735 -7.689 188 HA ASP 470 HA ASP 470 35.651 -18.793 -10.181 189 HB2 ASP 470 HB2 ASP 470 34.106 -16.429 -9.482 190 HB3 ASP 470 HB1 ASP 470 35.576 -16.016 -10.363 191 H LYS 471 HN LYS 471 36.353 -16.757 -7.385 192 HA LYS 471 HA LYS 471 39.018 -16.113 -8.320 193 HB2 LYS 471 HB2 LYS 471 39.186 -14.715 -6.467 194 HB3 LYS 471 HB1 LYS 471 37.460 -14.686 -6.808 195 HG2 LYS 471 HG2 LYS 471 37.325 -15.140 -4.569 196 HG3 LYS 471 HG1 LYS 471 37.506 -16.796 -5.130 197 HD2 LYS 471 HD2 LYS 471 39.191 -16.756 -3.552 198 HD3 LYS 471 HD1 LYS 471 40.112 -16.163 -4.932 199 HE2 LYS 471 HE2 LYS 471 38.988 -14.622 -2.615 200 HE3 LYS 471 HE1 LYS 471 40.610 -14.571 -3.303 201 HZ1 LYS 471 HZ1 LYS 471 38.778 -12.730 -3.793 202 HZ2 LYS 471 HZ2 LYS 471 38.428 -13.801 -5.065 203 HZ3 LYS 471 HZ3 LYS 471 39.986 -13.143 -4.910 204 H LYS 472 HN LYS 472 37.510 -18.584 -6.439 205 HA LYS 472 HA LYS 472 39.871 -19.438 -5.045 206 HB2 LYS 472 HB2 LYS 472 37.231 -20.813 -5.587 207 HB3 LYS 472 HB1 LYS 472 38.503 -21.479 -4.563 208 HG2 LYS 472 HG2 LYS 472 37.942 -18.719 -3.858 209 HG3 LYS 472 HG1 LYS 472 36.481 -19.702 -3.771 210 HD2 LYS 472 HD2 LYS 472 37.643 -21.335 -2.347 211 HD3 LYS 472 HD1 LYS 472 39.126 -20.385 -2.452 212 HE2 LYS 472 HE2 LYS 472 38.006 -19.846 -0.361 213 HE3 LYS 472 HE1 LYS 472 37.896 -18.453 -1.435 214 HZ1 LYS 472 HZ1 LYS 472 35.754 -18.741 -0.592 215 HZ2 LYS 472 HZ2 LYS 472 35.800 -20.429 -0.773 216 HZ3 LYS 472 HZ3 LYS 472 35.684 -19.428 -2.140 217 HN1 NH2 473 H1 NH2 473 40.798 -19.218 -7.606 218 HN2 NH2 473 H2 NH2 473 41.004 -20.747 -8.313 Start of MODEL 9 1 H1 ACE 446 HA2 ACE 446 20.455 -0.008 -21.036 2 H2 ACE 446 HA3 ACE 446 20.402 1.684 -21.533 3 H3 ACE 446 HA1 ACE 446 19.374 0.497 -22.335 4 H LYS 447 HN LYS 447 18.618 -0.896 -19.922 5 HA LYS 447 HA LYS 447 17.167 1.141 -18.376 6 HB2 LYS 447 HB2 LYS 447 15.736 0.289 -20.293 7 HB3 LYS 447 HB1 LYS 447 15.777 -1.290 -19.508 8 HG2 LYS 447 HG2 LYS 447 14.929 -0.143 -17.405 9 HG3 LYS 447 HG1 LYS 447 14.652 1.290 -18.398 10 HD2 LYS 447 HD2 LYS 447 12.599 0.346 -18.722 11 HD3 LYS 447 HD1 LYS 447 13.456 -0.604 -19.936 12 HE2 LYS 447 HE2 LYS 447 13.891 -2.356 -18.231 13 HE3 LYS 447 HE1 LYS 447 12.974 -1.416 -17.054 14 HZ1 LYS 447 HZ1 LYS 447 11.688 -2.002 -19.610 15 HZ2 LYS 447 HZ2 LYS 447 11.014 -1.888 -18.055 16 HZ3 LYS 447 HZ3 LYS 447 11.860 -3.288 -18.517 17 H ASP 448 HN ASP 448 17.377 -2.411 -18.731 18 HA ASP 448 HA ASP 448 16.968 -3.022 -16.028 19 HB2 ASP 448 HB2 ASP 448 18.384 -4.498 -18.245 20 HB3 ASP 448 HB1 ASP 448 18.199 -5.178 -16.630 21 H GLN 449 HN GLN 449 19.525 -1.384 -17.414 22 HA GLN 449 HA GLN 449 21.568 -2.366 -15.575 23 HB2 GLN 449 HB2 GLN 449 21.515 -0.476 -17.894 24 HB3 GLN 449 HB1 GLN 449 22.825 -0.355 -16.720 25 HG2 GLN 449 HG2 GLN 449 22.076 -3.036 -17.852 26 HG3 GLN 449 HG1 GLN 449 23.103 -1.947 -18.783 27 HE21 GLN 449 HE21 GLN 449 22.937 -3.885 -15.816 28 HE22 GLN 449 HE22 GLN 449 24.592 -3.778 -15.453 29 H PHE 450 HN PHE 450 19.125 -0.003 -15.642 30 HA PHE 450 HA PHE 450 20.472 1.795 -13.777 31 HB2 PHE 450 HB2 PHE 450 17.724 1.841 -15.038 32 HB3 PHE 450 HB1 PHE 450 18.303 3.055 -13.897 33 HD1 PHE 450 HD2 PHE 450 19.151 1.410 -17.147 34 HD2 PHE 450 HD1 PHE 450 19.615 4.866 -14.637 35 HE1 PHE 450 HE2 PHE 450 20.313 2.593 -18.991 36 HE2 PHE 450 HE1 PHE 450 20.777 6.048 -16.481 37 HZ PHE 450 HZ PHE 450 21.127 4.912 -18.658 38 H ILE 451 HN ILE 451 18.203 -0.830 -13.774 39 HA ILE 451 HA ILE 451 17.243 -0.277 -11.085 40 HB ILE 451 HB ILE 451 16.789 -2.592 -12.980 41 HG12 ILE 451 HG12 ILE 451 14.620 -0.793 -12.028 42 HG13 ILE 451 HG11 ILE 451 15.788 -0.082 -13.142 43 HG21 ILE 451 HG21 ILE 451 16.162 -2.206 -10.113 44 HG22 ILE 451 HG22 ILE 451 16.290 -3.697 -11.047 45 HG23 ILE 451 HG23 ILE 451 14.809 -2.741 -11.111 46 HD11 ILE 451 HD11 ILE 451 14.340 -2.693 -13.652 47 HD12 ILE 451 HD12 ILE 451 15.372 -1.818 -14.781 48 HD13 ILE 451 HD13 ILE 451 13.820 -1.136 -14.294 49 H ILE 452 HN ILE 452 19.102 -2.883 -12.669 50 HA ILE 452 HA ILE 452 19.762 -4.313 -10.357 51 HB ILE 452 HB ILE 452 20.141 -4.862 -12.888 52 HG12 ILE 452 HG12 ILE 452 21.901 -5.614 -10.554 53 HG13 ILE 452 HG11 ILE 452 20.602 -6.548 -11.295 54 HG21 ILE 452 HG21 ILE 452 21.768 -2.826 -12.979 55 HG22 ILE 452 HG22 ILE 452 22.241 -4.317 -13.793 56 HG23 ILE 452 HG23 ILE 452 22.922 -3.919 -12.215 57 HD11 ILE 452 HD11 ILE 452 22.111 -6.436 -13.440 58 HD12 ILE 452 HD12 ILE 452 22.501 -7.596 -12.170 59 HD13 ILE 452 HD13 ILE 452 23.401 -6.084 -12.289 60 H ALA 453 HN ALA 453 20.641 -1.190 -11.190 61 HA ALA 453 HA ALA 453 23.244 -1.250 -9.869 62 HB1 ALA 453 HB1 ALA 453 22.917 1.340 -10.325 63 HB2 ALA 453 HB2 ALA 453 21.697 0.753 -11.455 64 HB3 ALA 453 HB3 ALA 453 23.377 0.240 -11.625 65 H TYR 454 HN TYR 454 19.951 -0.155 -9.299 66 HA TYR 454 HA TYR 454 20.652 0.295 -6.477 67 HB2 TYR 454 HB2 TYR 454 18.814 2.177 -7.950 68 HB3 TYR 454 HB1 TYR 454 19.563 2.390 -6.366 69 HD1 TYR 454 HD2 TYR 454 22.161 2.447 -6.291 70 HD2 TYR 454 HD1 TYR 454 19.861 3.037 -9.869 71 HE1 TYR 454 HE2 TYR 454 24.105 3.559 -7.357 72 HE2 TYR 454 HE1 TYR 454 21.803 4.147 -10.937 73 HH TYR 454 HH TYR 454 24.934 4.374 -9.268 74 H GLY 455 HN GLY 455 17.759 0.670 -8.534 75 HA2 GLY 455 HA2 GLY 455 15.800 -0.093 -6.819 76 HA3 GLY 455 HA1 GLY 455 15.762 -0.512 -8.530 77 H GLY 456 HN GLY 456 18.235 -2.155 -8.228 78 HA2 GLY 456 HA2 GLY 456 16.919 -4.555 -7.133 79 HA3 GLY 456 HA1 GLY 456 18.217 -4.553 -8.324 80 H LEU 457 HN LEU 457 20.072 -2.893 -7.185 81 HA LEU 457 HA LEU 457 21.214 -4.597 -5.180 82 HB2 LEU 457 HB2 LEU 457 22.711 -3.557 -6.738 83 HB3 LEU 457 HB1 LEU 457 22.072 -1.955 -6.375 84 HG LEU 457 HG LEU 457 23.025 -1.988 -4.161 85 HD11 LEU 457 HD11 LEU 457 22.682 -4.199 -3.390 86 HD12 LEU 457 HD12 LEU 457 24.435 -4.070 -3.537 87 HD13 LEU 457 HD13 LEU 457 23.505 -4.902 -4.782 88 HD21 LEU 457 HD21 LEU 457 25.219 -1.718 -4.785 89 HD22 LEU 457 HD22 LEU 457 24.520 -1.864 -6.398 90 HD23 LEU 457 HD23 LEU 457 25.276 -3.262 -5.635 91 H ARG 458 HN ARG 458 20.574 -1.083 -5.098 92 HA ARG 458 HA ARG 458 19.772 0.270 -3.419 93 HB2 ARG 458 HB2 ARG 458 18.142 -1.794 -3.222 94 HB3 ARG 458 HB1 ARG 458 19.043 -2.095 -1.736 95 HG2 ARG 458 HG2 ARG 458 17.385 -0.685 -0.933 96 HG3 ARG 458 HG1 ARG 458 18.628 0.496 -1.350 97 HD2 ARG 458 HD2 ARG 458 17.446 0.415 -3.719 98 HD3 ARG 458 HD1 ARG 458 16.073 -0.148 -2.771 99 HE ARG 458 HE ARG 458 17.057 2.527 -2.879 100 HH11 ARG 458 HH21 ARG 458 15.737 0.126 -0.766 101 HH12 ARG 458 HH22 ARG 458 15.026 1.274 0.319 102 HH21 ARG 458 HH11 ARG 458 16.128 4.037 -1.462 103 HH22 ARG 458 HH12 ARG 458 15.247 3.488 -0.074 104 H GLY 459 HN GLY 459 22.437 -0.127 -3.461 105 HA2 GLY 459 HA2 GLY 459 23.791 -1.218 -1.342 106 HA3 GLY 459 HA1 GLY 459 24.272 0.288 -2.118 107 H ALA 460 HN ALA 460 21.506 1.343 -1.246 108 HA ALA 460 HA ALA 460 22.323 2.842 0.956 109 HB1 ALA 460 HB1 ALA 460 19.439 2.231 0.847 110 HB2 ALA 460 HB2 ALA 460 20.127 2.845 -0.657 111 HB3 ALA 460 HB3 ALA 460 20.265 3.789 0.827 112 H ILE 461 HN ILE 461 21.391 -0.435 0.804 113 HA ILE 461 HA ILE 461 20.649 -0.570 3.631 114 HB ILE 461 HB ILE 461 20.602 -2.506 1.337 115 HG12 ILE 461 HG12 ILE 461 18.258 -2.659 1.931 116 HG13 ILE 461 HG11 ILE 461 18.530 -1.751 3.418 117 HG21 ILE 461 HG21 ILE 461 21.493 -3.932 2.979 118 HG22 ILE 461 HG22 ILE 461 19.754 -4.138 3.185 119 HG23 ILE 461 HG23 ILE 461 20.655 -3.099 4.288 120 HD11 ILE 461 HD11 ILE 461 19.187 -0.577 0.715 121 HD12 ILE 461 HD12 ILE 461 18.946 0.266 2.246 122 HD13 ILE 461 HD13 ILE 461 17.570 -0.450 1.407 123 H ALA 462 HN ALA 462 23.034 -2.085 1.452 124 HA ALA 462 HA ALA 462 24.536 -3.424 3.373 125 HB1 ALA 462 HB1 ALA 462 26.394 -2.566 1.484 126 HB2 ALA 462 HB2 ALA 462 24.869 -2.616 0.602 127 HB3 ALA 462 HB3 ALA 462 25.459 -4.059 1.427 128 H PHE 463 HN PHE 463 24.784 -0.066 2.258 129 HA PHE 463 HA PHE 463 27.143 0.594 3.663 130 HB2 PHE 463 HB2 PHE 463 26.821 2.469 2.482 131 HB3 PHE 463 HB1 PHE 463 25.183 1.957 2.076 132 HD1 PHE 463 HD1 PHE 463 27.217 3.621 4.727 133 HD2 PHE 463 HD2 PHE 463 23.301 2.975 3.087 134 HE1 PHE 463 HE1 PHE 463 26.296 5.353 6.244 135 HE2 PHE 463 HE2 PHE 463 22.379 4.707 4.604 136 HZ PHE 463 HZ PHE 463 23.876 5.896 6.182 137 H SER 464 HN SER 464 23.732 0.643 4.576 138 HA SER 464 HA SER 464 24.131 1.927 7.094 139 HB2 SER 464 HB2 SER 464 21.806 0.461 7.347 140 HB3 SER 464 HB1 SER 464 21.918 2.105 6.726 141 HG SER 464 HG SER 464 22.556 0.176 4.889 142 H LEU 465 HN LEU 465 24.776 -1.201 5.947 143 HA LEU 465 HA LEU 465 24.481 -2.515 8.529 144 HB2 LEU 465 HB2 LEU 465 24.932 -3.338 5.745 145 HB3 LEU 465 HB1 LEU 465 25.867 -4.265 6.915 146 HG LEU 465 HG LEU 465 23.593 -5.231 6.434 147 HD11 LEU 465 HD11 LEU 465 24.865 -4.786 8.952 148 HD12 LEU 465 HD12 LEU 465 23.810 -6.119 8.486 149 HD13 LEU 465 HD13 LEU 465 23.123 -4.660 9.199 150 HD21 LEU 465 HD21 LEU 465 21.685 -4.018 6.684 151 HD22 LEU 465 HD22 LEU 465 22.756 -2.622 6.562 152 HD23 LEU 465 HD23 LEU 465 22.272 -3.225 8.146 153 H GLY 466 HN GLY 466 27.151 -1.827 6.263 154 HA2 GLY 466 HA2 GLY 466 29.167 -2.548 8.191 155 HA3 GLY 466 HA1 GLY 466 29.443 -1.828 6.608 156 H TYR 467 HN TYR 467 27.163 0.039 8.067 157 HA TYR 467 HA TYR 467 29.132 2.087 8.738 158 HB2 TYR 467 HB2 TYR 467 27.439 3.058 7.492 159 HB3 TYR 467 HB1 TYR 467 26.186 2.052 8.217 160 HD1 TYR 467 HD2 TYR 467 28.527 4.869 8.891 161 HD2 TYR 467 HD1 TYR 467 25.008 2.758 10.160 162 HE1 TYR 467 HE2 TYR 467 28.055 6.652 10.549 163 HE2 TYR 467 HE1 TYR 467 24.538 4.539 11.820 164 HH TYR 467 HH TYR 467 26.656 6.635 12.916 165 H LEU 468 HN LEU 468 26.514 0.265 10.287 166 HA LEU 468 HA LEU 468 26.516 1.543 12.772 167 HB2 LEU 468 HB2 LEU 468 26.010 -1.383 12.176 168 HB3 LEU 468 HB1 LEU 468 25.530 -0.534 13.645 169 HG LEU 468 HG LEU 468 24.679 0.605 11.011 170 HD11 LEU 468 HD11 LEU 468 22.610 -0.848 11.179 171 HD12 LEU 468 HD12 LEU 468 23.488 -1.834 12.349 172 HD13 LEU 468 HD13 LEU 468 24.077 -1.699 10.693 173 HD21 LEU 468 HD21 LEU 468 24.298 1.449 13.514 174 HD22 LEU 468 HD22 LEU 468 22.958 0.305 13.442 175 HD23 LEU 468 HD23 LEU 468 23.045 1.636 12.288 176 H LEU 469 HN LEU 469 27.879 -1.716 12.339 177 HA LEU 469 HA LEU 469 29.443 -1.789 14.593 178 HB2 LEU 469 HB2 LEU 469 30.750 -3.518 13.519 179 HB3 LEU 469 HB1 LEU 469 29.067 -3.694 13.022 180 HG LEU 469 HG LEU 469 30.080 -1.950 11.128 181 HD11 LEU 469 HD11 LEU 469 32.373 -2.353 11.963 182 HD12 LEU 469 HD12 LEU 469 32.168 -2.998 10.336 183 HD13 LEU 469 HD13 LEU 469 32.153 -4.087 11.723 184 HD21 LEU 469 HD21 LEU 469 28.616 -3.743 10.536 185 HD22 LEU 469 HD22 LEU 469 29.732 -4.957 11.163 186 HD23 LEU 469 HD23 LEU 469 30.127 -4.074 9.689 187 H ASP 470 HN ASP 470 29.838 0.262 11.923 188 HA ASP 470 HA ASP 470 32.694 0.700 12.442 189 HB2 ASP 470 HB2 ASP 470 31.957 0.514 10.095 190 HB3 ASP 470 HB1 ASP 470 30.884 1.892 10.328 191 H LYS 471 HN LYS 471 29.557 2.187 12.853 192 HA LYS 471 HA LYS 471 30.745 4.710 13.730 193 HB2 LYS 471 HB2 LYS 471 28.647 5.653 13.486 194 HB3 LYS 471 HB1 LYS 471 28.561 4.358 12.302 195 HG2 LYS 471 HG2 LYS 471 26.567 4.036 13.453 196 HG3 LYS 471 HG1 LYS 471 27.639 2.927 14.301 197 HD2 LYS 471 HD2 LYS 471 27.112 3.994 16.217 198 HD3 LYS 471 HD1 LYS 471 27.930 5.430 15.610 199 HE2 LYS 471 HE2 LYS 471 25.853 6.156 14.504 200 HE3 LYS 471 HE1 LYS 471 25.029 4.714 15.097 201 HZ1 LYS 471 HZ1 LYS 471 24.501 6.065 16.795 202 HZ2 LYS 471 HZ2 LYS 471 25.795 7.128 16.512 203 HZ3 LYS 471 HZ3 LYS 471 26.053 5.677 17.356 204 H LYS 472 HN LYS 472 29.373 1.800 15.028 205 HA LYS 472 HA LYS 472 28.650 2.708 17.596 206 HB2 LYS 472 HB2 LYS 472 29.568 0.011 16.589 207 HB3 LYS 472 HB1 LYS 472 29.025 0.278 18.243 208 HG2 LYS 472 HG2 LYS 472 27.376 0.945 15.784 209 HG3 LYS 472 HG1 LYS 472 27.215 -0.553 16.696 210 HD2 LYS 472 HD2 LYS 472 27.056 1.377 18.678 211 HD3 LYS 472 HD1 LYS 472 26.214 2.133 17.327 212 HE2 LYS 472 HE2 LYS 472 25.637 -0.607 18.488 213 HE3 LYS 472 HE1 LYS 472 24.626 0.829 18.647 214 HZ1 LYS 472 HZ1 LYS 472 24.235 0.848 16.314 215 HZ2 LYS 472 HZ2 LYS 472 23.913 -0.725 16.872 216 HZ3 LYS 472 HZ3 LYS 472 25.359 -0.393 16.046 217 HN1 NH2 473 H1 NH2 473 31.671 0.914 16.742 218 HN2 NH2 473 H2 NH2 473 32.609 1.649 17.950 Start of MODEL 10 1 H1 ACE 446 HA2 ACE 446 19.095 -0.209 -21.661 2 H2 ACE 446 HA3 ACE 446 20.197 0.871 -20.807 3 H3 ACE 446 HA1 ACE 446 19.029 1.530 -21.952 4 H LYS 447 HN LYS 447 18.299 -1.039 -19.672 5 HA LYS 447 HA LYS 447 16.741 0.842 -18.019 6 HB2 LYS 447 HB2 LYS 447 15.164 -0.170 -19.569 7 HB3 LYS 447 HB1 LYS 447 15.757 -1.781 -19.164 8 HG2 LYS 447 HG2 LYS 447 14.654 -1.834 -17.163 9 HG3 LYS 447 HG1 LYS 447 14.892 -0.110 -16.871 10 HD2 LYS 447 HD2 LYS 447 13.047 -1.034 -19.062 11 HD3 LYS 447 HD1 LYS 447 12.482 -0.968 -17.392 12 HE2 LYS 447 HE2 LYS 447 12.523 1.319 -17.323 13 HE3 LYS 447 HE1 LYS 447 13.940 1.427 -18.367 14 HZ1 LYS 447 HZ1 LYS 447 12.676 1.606 -20.174 15 HZ2 LYS 447 HZ2 LYS 447 11.384 1.929 -19.118 16 HZ3 LYS 447 HZ3 LYS 447 11.639 0.352 -19.697 17 H ASP 448 HN ASP 448 17.231 -2.687 -18.137 18 HA ASP 448 HA ASP 448 17.289 -3.150 -15.413 19 HB2 ASP 448 HB2 ASP 448 18.097 -5.268 -15.907 20 HB3 ASP 448 HB1 ASP 448 17.394 -4.793 -17.452 21 H GLN 449 HN GLN 449 19.703 -1.685 -17.412 22 HA GLN 449 HA GLN 449 21.956 -2.139 -15.729 23 HB2 GLN 449 HB2 GLN 449 21.339 -0.188 -17.935 24 HB3 GLN 449 HB1 GLN 449 22.829 -0.056 -17.000 25 HG2 GLN 449 HG2 GLN 449 22.167 -2.774 -17.980 26 HG3 GLN 449 HG1 GLN 449 22.598 -1.599 -19.221 27 HE21 GLN 449 HE21 GLN 449 23.942 -3.848 -17.112 28 HE22 GLN 449 HE22 GLN 449 25.521 -3.225 -17.044 29 H PHE 450 HN PHE 450 19.336 0.133 -15.701 30 HA PHE 450 HA PHE 450 20.659 1.868 -13.754 31 HB2 PHE 450 HB2 PHE 450 17.893 2.008 -14.976 32 HB3 PHE 450 HB1 PHE 450 18.610 3.227 -13.923 33 HD1 PHE 450 HD2 PHE 450 18.825 1.591 -17.235 34 HD2 PHE 450 HD1 PHE 450 20.324 4.731 -14.717 35 HE1 PHE 450 HE2 PHE 450 19.950 2.621 -19.191 36 HE2 PHE 450 HE1 PHE 450 21.449 5.762 -16.673 37 HZ PHE 450 HZ PHE 450 21.261 4.707 -18.909 38 H ILE 451 HN ILE 451 18.091 -0.527 -13.952 39 HA ILE 451 HA ILE 451 17.171 -0.114 -11.254 40 HB ILE 451 HB ILE 451 16.647 -2.195 -13.368 41 HG12 ILE 451 HG12 ILE 451 14.608 -0.538 -11.921 42 HG13 ILE 451 HG11 ILE 451 15.610 0.234 -13.149 43 HG21 ILE 451 HG21 ILE 451 16.535 -3.528 -11.427 44 HG22 ILE 451 HG22 ILE 451 14.873 -2.977 -11.637 45 HG23 ILE 451 HG23 ILE 451 15.913 -2.202 -10.443 46 HD11 ILE 451 HD11 ILE 451 13.421 -0.736 -14.001 47 HD12 ILE 451 HD12 ILE 451 14.087 -2.331 -13.649 48 HD13 ILE 451 HD13 ILE 451 14.868 -1.294 -14.842 49 H ILE 452 HN ILE 452 18.962 -2.744 -12.878 50 HA ILE 452 HA ILE 452 19.501 -4.267 -10.595 51 HB ILE 452 HB ILE 452 19.907 -4.788 -13.116 52 HG12 ILE 452 HG12 ILE 452 21.712 -5.615 -10.831 53 HG13 ILE 452 HG11 ILE 452 20.305 -6.471 -11.463 54 HG21 ILE 452 HG21 ILE 452 22.005 -4.259 -14.012 55 HG22 ILE 452 HG22 ILE 452 22.715 -3.956 -12.426 56 HG23 ILE 452 HG23 ILE 452 21.600 -2.786 -13.130 57 HD11 ILE 452 HD11 ILE 452 21.757 -6.359 -13.719 58 HD12 ILE 452 HD12 ILE 452 21.944 -7.667 -12.550 59 HD13 ILE 452 HD13 ILE 452 23.077 -6.316 -12.549 60 H ALA 453 HN ALA 453 20.678 -1.206 -11.491 61 HA ALA 453 HA ALA 453 23.180 -1.418 -10.021 62 HB1 ALA 453 HB1 ALA 453 21.801 0.781 -11.544 63 HB2 ALA 453 HB2 ALA 453 23.356 0.018 -11.873 64 HB3 ALA 453 HB3 ALA 453 23.187 1.123 -10.509 65 H TYR 454 HN TYR 454 19.903 -0.464 -9.464 66 HA TYR 454 HA TYR 454 20.530 0.065 -6.661 67 HB2 TYR 454 HB2 TYR 454 18.937 2.053 -8.292 68 HB3 TYR 454 HB1 TYR 454 19.398 2.191 -6.594 69 HD1 TYR 454 HD2 TYR 454 21.959 2.083 -6.073 70 HD2 TYR 454 HD1 TYR 454 20.325 2.966 -9.947 71 HE1 TYR 454 HE2 TYR 454 24.104 3.135 -6.739 72 HE2 TYR 454 HE1 TYR 454 22.470 4.018 -10.612 73 HH TYR 454 HH TYR 454 25.236 4.134 -8.359 74 H GLY 455 HN GLY 455 17.728 0.632 -8.794 75 HA2 GLY 455 HA2 GLY 455 15.738 -0.193 -7.072 76 HA3 GLY 455 HA1 GLY 455 15.627 -0.315 -8.824 77 H GLY 456 HN GLY 456 18.226 -2.115 -8.268 78 HA2 GLY 456 HA2 GLY 456 16.828 -4.543 -7.384 79 HA3 GLY 456 HA1 GLY 456 17.551 -4.539 -8.989 80 H LEU 457 HN LEU 457 18.842 -2.959 -6.109 81 HA LEU 457 HA LEU 457 20.924 -5.005 -5.853 82 HB2 LEU 457 HB2 LEU 457 21.966 -3.494 -7.395 83 HB3 LEU 457 HB1 LEU 457 21.436 -2.090 -6.471 84 HG LEU 457 HG LEU 457 22.909 -2.663 -4.632 85 HD11 LEU 457 HD11 LEU 457 24.489 -4.693 -5.068 86 HD12 LEU 457 HD12 LEU 457 23.237 -5.222 -6.190 87 HD13 LEU 457 HD13 LEU 457 22.858 -5.013 -4.480 88 HD21 LEU 457 HD21 LEU 457 24.907 -3.232 -6.661 89 HD22 LEU 457 HD22 LEU 457 24.671 -1.765 -5.712 90 HD23 LEU 457 HD23 LEU 457 23.779 -1.994 -7.216 91 H ARG 458 HN ARG 458 20.021 -1.757 -4.689 92 HA ARG 458 HA ARG 458 20.994 -2.216 -2.055 93 HB2 ARG 458 HB2 ARG 458 19.515 -0.144 -1.545 94 HB3 ARG 458 HB1 ARG 458 20.907 0.045 -2.606 95 HG2 ARG 458 HG2 ARG 458 18.895 1.176 -3.503 96 HG3 ARG 458 HG1 ARG 458 19.459 -0.096 -4.576 97 HD2 ARG 458 HD2 ARG 458 17.344 -0.648 -2.501 98 HD3 ARG 458 HD1 ARG 458 16.918 0.047 -4.058 99 HE ARG 458 HE ARG 458 18.484 -2.173 -4.621 100 HH11 ARG 458 HH21 ARG 458 15.524 -1.447 -2.986 101 HH12 ARG 458 HH22 ARG 458 14.793 -2.977 -3.339 102 HH21 ARG 458 HH11 ARG 458 17.534 -4.182 -5.086 103 HH22 ARG 458 HH12 ARG 458 15.931 -4.525 -4.528 104 H GLY 459 HN GLY 459 19.011 -4.173 -3.143 105 HA2 GLY 459 HA2 GLY 459 16.654 -3.834 -1.501 106 HA3 GLY 459 HA1 GLY 459 17.020 -5.202 -2.546 107 H ALA 460 HN ALA 460 19.733 -5.450 -1.319 108 HA ALA 460 HA ALA 460 18.883 -6.955 1.062 109 HB1 ALA 460 HB1 ALA 460 20.081 -8.493 -0.118 110 HB2 ALA 460 HB2 ALA 460 21.444 -7.719 0.688 111 HB3 ALA 460 HB3 ALA 460 21.024 -7.265 -0.962 112 H ILE 461 HN ILE 461 20.304 -4.041 0.225 113 HA ILE 461 HA ILE 461 22.070 -3.909 2.552 114 HB ILE 461 HB ILE 461 21.494 -2.032 0.263 115 HG12 ILE 461 HG12 ILE 461 23.908 -2.382 -0.160 116 HG13 ILE 461 HG11 ILE 461 23.996 -3.444 1.245 117 HG21 ILE 461 HG21 ILE 461 21.822 -0.449 1.922 118 HG22 ILE 461 HG22 ILE 461 23.497 -0.783 1.483 119 HG23 ILE 461 HG23 ILE 461 22.794 -1.537 2.913 120 HD11 ILE 461 HD11 ILE 461 22.754 -5.131 0.222 121 HD12 ILE 461 HD12 ILE 461 23.656 -4.483 -1.149 122 HD13 ILE 461 HD13 ILE 461 21.973 -4.014 -0.899 123 H ALA 462 HN ALA 462 19.374 -1.976 1.229 124 HA ALA 462 HA ALA 462 18.928 -0.334 3.413 125 HB1 ALA 462 HB1 ALA 462 17.424 -1.189 1.067 126 HB2 ALA 462 HB2 ALA 462 17.478 0.388 1.853 127 HB3 ALA 462 HB3 ALA 462 16.380 -0.857 2.449 128 H PHE 463 HN PHE 463 17.805 -3.640 2.852 129 HA PHE 463 HA PHE 463 16.075 -3.761 5.111 130 HB2 PHE 463 HB2 PHE 463 15.522 -5.645 4.031 131 HB3 PHE 463 HB1 PHE 463 16.961 -5.532 3.018 132 HD1 PHE 463 HD2 PHE 463 15.714 -6.700 6.330 133 HD2 PHE 463 HD1 PHE 463 18.856 -6.910 3.410 134 HE1 PHE 463 HE2 PHE 463 16.740 -8.587 7.569 135 HE2 PHE 463 HE1 PHE 463 19.882 -8.799 4.648 136 HZ PHE 463 HZ PHE 463 18.823 -9.637 6.729 137 H SER 464 HN SER 464 19.483 -4.523 4.588 138 HA SER 464 HA SER 464 19.930 -5.704 7.139 139 HB2 SER 464 HB2 SER 464 22.190 -5.761 6.543 140 HB3 SER 464 HB1 SER 464 21.379 -5.809 4.981 141 HG SER 464 HG SER 464 21.725 -3.588 4.792 142 H LEU 465 HN LEU 465 19.356 -2.516 6.172 143 HA LEU 465 HA LEU 465 20.914 -1.274 8.294 144 HB2 LEU 465 HB2 LEU 465 19.439 -0.381 5.913 145 HB3 LEU 465 HB1 LEU 465 19.246 0.682 7.305 146 HG LEU 465 HG LEU 465 21.207 1.266 5.840 147 HD11 LEU 465 HD11 LEU 465 22.729 0.617 8.176 148 HD12 LEU 465 HD12 LEU 465 21.091 1.027 8.684 149 HD13 LEU 465 HD13 LEU 465 22.030 2.172 7.725 150 HD21 LEU 465 HD21 LEU 465 21.620 -1.443 5.770 151 HD22 LEU 465 HD22 LEU 465 22.820 -0.937 6.961 152 HD23 LEU 465 HD23 LEU 465 22.837 -0.241 5.341 153 H GLY 466 HN GLY 466 17.473 -1.640 7.441 154 HA2 GLY 466 HA2 GLY 466 16.622 -0.601 10.013 155 HA3 GLY 466 HA1 GLY 466 15.578 -1.187 8.722 156 H TYR 467 HN TYR 467 17.910 -3.472 9.109 157 HA TYR 467 HA TYR 467 16.128 -5.353 10.313 158 HB2 TYR 467 HB2 TYR 467 17.544 -6.499 8.946 159 HB3 TYR 467 HB1 TYR 467 18.876 -5.374 9.208 160 HD1 TYR 467 HD2 TYR 467 16.884 -8.029 10.936 161 HD2 TYR 467 HD1 TYR 467 20.620 -5.926 10.683 162 HE1 TYR 467 HE2 TYR 467 17.870 -9.581 12.599 163 HE2 TYR 467 HE1 TYR 467 21.606 -7.478 12.348 164 HH TYR 467 HH TYR 467 21.264 -9.235 13.648 165 H LEU 468 HN LEU 468 18.850 -3.436 11.464 166 HA LEU 468 HA LEU 468 19.184 -4.749 13.953 167 HB2 LEU 468 HB2 LEU 468 19.814 -1.886 13.191 168 HB3 LEU 468 HB1 LEU 468 20.434 -2.736 14.609 169 HG LEU 468 HG LEU 468 20.989 -4.460 12.482 170 HD11 LEU 468 HD11 LEU 468 21.629 -1.590 11.732 171 HD12 LEU 468 HD12 LEU 468 20.487 -2.642 10.896 172 HD13 LEU 468 HD13 LEU 468 22.209 -3.022 10.882 173 HD21 LEU 468 HD21 LEU 468 22.770 -2.391 13.813 174 HD22 LEU 468 HD22 LEU 468 23.331 -3.825 12.954 175 HD23 LEU 468 HD23 LEU 468 22.412 -3.995 14.449 176 H LEU 469 HN LEU 469 18.058 -1.393 13.642 177 HA LEU 469 HA LEU 469 16.810 -1.163 16.069 178 HB2 LEU 469 HB2 LEU 469 15.520 0.658 15.137 179 HB3 LEU 469 HB1 LEU 469 17.125 0.681 14.408 180 HG LEU 469 HG LEU 469 15.731 -0.992 12.713 181 HD11 LEU 469 HD11 LEU 469 13.587 -0.053 12.274 182 HD12 LEU 469 HD12 LEU 469 13.908 1.348 13.296 183 HD13 LEU 469 HD13 LEU 469 13.655 -0.237 14.028 184 HD21 LEU 469 HD21 LEU 469 15.624 1.119 11.256 185 HD22 LEU 469 HD22 LEU 469 17.214 0.685 11.884 186 HD23 LEU 469 HD23 LEU 469 16.288 1.981 12.643 187 H ASP 470 HN ASP 470 15.862 -3.144 13.460 188 HA ASP 470 HA ASP 470 13.061 -3.298 14.203 189 HB2 ASP 470 HB2 ASP 470 13.423 -3.636 11.904 190 HB3 ASP 470 HB1 ASP 470 14.791 -4.711 12.186 191 H LYS 471 HN LYS 471 15.965 -5.314 14.491 192 HA LYS 471 HA LYS 471 14.473 -7.192 16.202 193 HB2 LYS 471 HB2 LYS 471 17.203 -7.415 14.909 194 HB3 LYS 471 HB1 LYS 471 16.463 -8.653 15.926 195 HG2 LYS 471 HG2 LYS 471 14.535 -7.900 13.968 196 HG3 LYS 471 HG1 LYS 471 16.060 -8.181 13.127 197 HD2 LYS 471 HD2 LYS 471 16.271 -10.374 14.256 198 HD3 LYS 471 HD1 LYS 471 14.728 -10.096 15.065 199 HE2 LYS 471 HE2 LYS 471 14.264 -11.458 13.138 200 HE3 LYS 471 HE1 LYS 471 13.689 -9.833 12.766 201 HZ1 LYS 471 HZ1 LYS 471 15.922 -9.461 11.713 202 HZ2 LYS 471 HZ2 LYS 471 14.906 -10.555 10.903 203 HZ3 LYS 471 HZ3 LYS 471 16.191 -11.129 11.854 204 H LYS 472 HN LYS 472 17.484 -5.293 16.131 205 HA LYS 472 HA LYS 472 17.984 -5.803 18.945 206 HB2 LYS 472 HB2 LYS 472 19.391 -4.037 16.929 207 HB3 LYS 472 HB1 LYS 472 19.937 -4.298 18.587 208 HG2 LYS 472 HG2 LYS 472 19.355 -6.774 17.095 209 HG3 LYS 472 HG1 LYS 472 20.702 -5.835 16.451 210 HD2 LYS 472 HD2 LYS 472 21.872 -5.901 18.527 211 HD3 LYS 472 HD1 LYS 472 20.450 -6.483 19.393 212 HE2 LYS 472 HE2 LYS 472 22.051 -8.321 18.979 213 HE3 LYS 472 HE1 LYS 472 20.531 -8.595 18.126 214 HZ1 LYS 472 HZ1 LYS 472 21.901 -8.912 16.391 215 HZ2 LYS 472 HZ2 LYS 472 23.173 -8.016 17.073 216 HZ3 LYS 472 HZ3 LYS 472 21.888 -7.218 16.300 217 HN1 NH2 473 H1 NH2 473 18.895 -2.634 18.382 218 HN2 NH2 473 H2 NH2 473 17.577 -1.848 19.109 Start of MODEL 11 1 H1 ACE 446 HA2 ACE 446 18.284 1.237 -21.700 2 H2 ACE 446 HA3 ACE 446 19.704 1.163 -20.657 3 H3 ACE 446 HA1 ACE 446 19.037 2.725 -21.130 4 H LYS 447 HN LYS 447 18.037 -0.300 -19.516 5 HA LYS 447 HA LYS 447 16.822 1.284 -17.371 6 HB2 LYS 447 HB2 LYS 447 15.343 -0.339 -19.351 7 HB3 LYS 447 HB1 LYS 447 14.892 -0.597 -17.666 8 HG2 LYS 447 HG2 LYS 447 14.287 1.663 -17.355 9 HG3 LYS 447 HG1 LYS 447 15.173 2.188 -18.787 10 HD2 LYS 447 HD2 LYS 447 12.733 2.158 -19.200 11 HD3 LYS 447 HD1 LYS 447 13.573 0.998 -20.229 12 HE2 LYS 447 HE2 LYS 447 12.706 -0.824 -19.123 13 HE3 LYS 447 HE1 LYS 447 12.624 0.021 -17.577 14 HZ1 LYS 447 HZ1 LYS 447 10.481 0.331 -17.980 15 HZ2 LYS 447 HZ2 LYS 447 10.617 -0.283 -19.558 16 HZ3 LYS 447 HZ3 LYS 447 10.904 1.363 -19.257 17 H ASP 448 HN ASP 448 17.482 -1.974 -18.637 18 HA ASP 448 HA ASP 448 17.318 -3.358 -16.195 19 HB2 ASP 448 HB2 ASP 448 18.818 -3.892 -18.755 20 HB3 ASP 448 HB1 ASP 448 18.900 -4.994 -17.381 21 H GLN 449 HN GLN 449 20.038 -1.724 -17.777 22 HA GLN 449 HA GLN 449 21.982 -2.514 -15.838 23 HB2 GLN 449 HB2 GLN 449 21.924 -0.338 -17.931 24 HB3 GLN 449 HB1 GLN 449 23.310 -0.609 -16.874 25 HG2 GLN 449 HG2 GLN 449 22.306 -3.075 -18.100 26 HG3 GLN 449 HG1 GLN 449 22.863 -1.893 -19.284 27 HE21 GLN 449 HE21 GLN 449 25.014 -2.297 -19.792 28 HE22 GLN 449 HE22 GLN 449 26.206 -2.768 -18.679 29 H PHE 450 HN PHE 450 19.454 -0.244 -15.800 30 HA PHE 450 HA PHE 450 20.742 1.505 -13.843 31 HB2 PHE 450 HB2 PHE 450 18.030 1.548 -15.173 32 HB3 PHE 450 HB1 PHE 450 18.511 2.692 -13.921 33 HD1 PHE 450 HD1 PHE 450 19.158 1.526 -17.364 34 HD2 PHE 450 HD2 PHE 450 20.167 4.411 -14.347 35 HE1 PHE 450 HE1 PHE 450 20.341 2.890 -19.065 36 HE2 PHE 450 HE2 PHE 450 21.350 5.776 -16.047 37 HZ PHE 450 HZ PHE 450 21.436 5.015 -18.406 38 H ILE 451 HN ILE 451 17.851 -0.570 -14.045 39 HA ILE 451 HA ILE 451 16.949 -0.363 -11.445 40 HB ILE 451 HB ILE 451 16.971 -2.784 -13.260 41 HG12 ILE 451 HG12 ILE 451 14.527 -1.196 -12.655 42 HG13 ILE 451 HG11 ILE 451 15.735 -0.414 -13.675 43 HG21 ILE 451 HG21 ILE 451 16.347 -3.872 -11.361 44 HG22 ILE 451 HG22 ILE 451 14.805 -3.050 -11.605 45 HG23 ILE 451 HG23 ILE 451 16.003 -2.370 -10.503 46 HD11 ILE 451 HD11 ILE 451 13.894 -1.897 -14.801 47 HD12 ILE 451 HD12 ILE 451 14.892 -3.243 -14.250 48 HD13 ILE 451 HD13 ILE 451 15.564 -2.040 -15.351 49 H ILE 452 HN ILE 452 19.020 -3.032 -12.622 50 HA ILE 452 HA ILE 452 19.641 -4.161 -10.186 51 HB ILE 452 HB ILE 452 21.674 -5.026 -11.239 52 HG12 ILE 452 HG12 ILE 452 21.091 -2.854 -13.268 53 HG13 ILE 452 HG11 ILE 452 22.555 -3.063 -12.307 54 HG21 ILE 452 HG21 ILE 452 19.813 -4.955 -13.556 55 HG22 ILE 452 HG22 ILE 452 19.141 -5.528 -12.030 56 HG23 ILE 452 HG23 ILE 452 20.538 -6.338 -12.737 57 HD11 ILE 452 HD11 ILE 452 22.665 -5.405 -13.489 58 HD12 ILE 452 HD12 ILE 452 23.205 -3.968 -14.359 59 HD13 ILE 452 HD13 ILE 452 21.609 -4.644 -14.680 60 H ALA 453 HN ALA 453 21.085 -1.339 -11.742 61 HA ALA 453 HA ALA 453 23.266 -0.905 -10.067 62 HB1 ALA 453 HB1 ALA 453 23.431 1.094 -11.128 63 HB2 ALA 453 HB2 ALA 453 21.751 1.517 -10.796 64 HB3 ALA 453 HB3 ALA 453 22.142 0.456 -12.149 65 H TYR 454 HN TYR 454 19.857 -0.405 -9.543 66 HA TYR 454 HA TYR 454 20.420 0.712 -6.864 67 HB2 TYR 454 HB2 TYR 454 17.784 0.805 -8.325 68 HB3 TYR 454 HB1 TYR 454 18.287 1.756 -6.926 69 HD1 TYR 454 HD1 TYR 454 20.731 2.957 -7.405 70 HD2 TYR 454 HD2 TYR 454 17.731 2.000 -10.329 71 HE1 TYR 454 HE1 TYR 454 21.639 4.703 -8.908 72 HE2 TYR 454 HE2 TYR 454 18.640 3.749 -11.830 73 HH TYR 454 HH TYR 454 21.610 5.490 -11.039 74 H GLY 455 HN GLY 455 20.313 -2.156 -7.921 75 HA2 GLY 455 HA2 GLY 455 19.358 -4.195 -7.354 76 HA3 GLY 455 HA1 GLY 455 19.537 -3.541 -5.729 77 H GLY 456 HN GLY 456 17.395 -2.348 -8.278 78 HA2 GLY 456 HA2 GLY 456 15.116 -2.082 -8.355 79 HA3 GLY 456 HA1 GLY 456 15.025 -3.611 -7.488 80 H LEU 457 HN LEU 457 16.077 -0.274 -6.742 81 HA LEU 457 HA LEU 457 15.671 -0.202 -4.053 82 HB2 LEU 457 HB2 LEU 457 15.152 2.199 -4.280 83 HB3 LEU 457 HB1 LEU 457 16.493 1.726 -5.319 84 HG LEU 457 HG LEU 457 14.373 1.288 -6.987 85 HD11 LEU 457 HD11 LEU 457 12.698 2.905 -6.740 86 HD12 LEU 457 HD12 LEU 457 13.697 3.921 -5.700 87 HD13 LEU 457 HD13 LEU 457 12.990 2.438 -5.067 88 HD21 LEU 457 HD21 LEU 457 16.140 3.689 -6.528 89 HD22 LEU 457 HD22 LEU 457 14.956 3.679 -7.834 90 HD23 LEU 457 HD23 LEU 457 16.238 2.473 -7.801 91 H ARG 458 HN ARG 458 13.226 -0.054 -6.569 92 HA ARG 458 HA ARG 458 10.899 0.200 -6.388 93 HB2 ARG 458 HB2 ARG 458 11.885 -2.358 -5.245 94 HB3 ARG 458 HB1 ARG 458 10.180 -1.991 -4.992 95 HG2 ARG 458 HG2 ARG 458 10.467 -3.252 -7.073 96 HG3 ARG 458 HG1 ARG 458 9.913 -1.619 -7.434 97 HD2 ARG 458 HD2 ARG 458 12.188 -0.927 -7.978 98 HD3 ARG 458 HD1 ARG 458 12.812 -2.501 -7.496 99 HE ARG 458 HE ARG 458 12.153 -3.324 -9.558 100 HH11 ARG 458 HH21 ARG 458 10.532 -0.352 -8.844 101 HH12 ARG 458 HH22 ARG 458 9.786 -0.224 -10.402 102 HH21 ARG 458 HH11 ARG 458 11.176 -3.164 -11.602 103 HH22 ARG 458 HH12 ARG 458 10.151 -1.816 -11.963 104 H GLY 459 HN GLY 459 11.242 2.158 -4.945 105 HA2 GLY 459 HA2 GLY 459 9.859 1.677 -2.379 106 HA3 GLY 459 HA1 GLY 459 11.260 2.742 -2.458 107 H ALA 460 HN ALA 460 9.311 2.782 -5.249 108 HA ALA 460 HA ALA 460 7.804 5.137 -4.308 109 HB1 ALA 460 HB1 ALA 460 8.292 5.986 -6.757 110 HB2 ALA 460 HB2 ALA 460 9.711 4.949 -6.604 111 HB3 ALA 460 HB3 ALA 460 9.457 6.270 -5.464 112 H ILE 461 HN ILE 461 8.229 3.310 -7.343 113 HA ILE 461 HA ILE 461 5.619 3.537 -8.258 114 HB ILE 461 HB ILE 461 7.779 1.499 -8.693 115 HG12 ILE 461 HG12 ILE 461 7.671 2.431 -10.976 116 HG13 ILE 461 HG11 ILE 461 6.317 3.454 -10.498 117 HG21 ILE 461 HG21 ILE 461 4.891 1.363 -9.543 118 HG22 ILE 461 HG22 ILE 461 5.919 0.077 -8.907 119 HG23 ILE 461 HG23 ILE 461 6.157 0.664 -10.553 120 HD11 ILE 461 HD11 ILE 461 8.979 3.547 -9.072 121 HD12 ILE 461 HD12 ILE 461 7.668 4.725 -9.004 122 HD13 ILE 461 HD13 ILE 461 8.629 4.557 -10.473 123 H ALA 462 HN ALA 462 7.046 1.048 -6.167 124 HA ALA 462 HA ALA 462 4.997 -0.761 -5.958 125 HB1 ALA 462 HB1 ALA 462 7.334 -0.499 -4.688 126 HB2 ALA 462 HB2 ALA 462 6.049 -1.539 -4.074 127 HB3 ALA 462 HB3 ALA 462 6.273 0.077 -3.402 128 H PHE 463 HN PHE 463 5.191 2.444 -4.547 129 HA PHE 463 HA PHE 463 2.705 2.063 -3.058 130 HB2 PHE 463 HB2 PHE 463 3.746 3.521 -1.709 131 HB3 PHE 463 HB1 PHE 463 4.963 3.878 -2.935 132 HD1 PHE 463 HD2 PHE 463 1.532 4.720 -1.771 133 HD2 PHE 463 HD1 PHE 463 4.830 5.840 -4.286 134 HE1 PHE 463 HE2 PHE 463 0.461 6.915 -2.199 135 HE2 PHE 463 HE1 PHE 463 3.758 8.036 -4.714 136 HZ PHE 463 HZ PHE 463 1.573 8.574 -3.670 137 H SER 464 HN SER 464 3.865 3.491 -6.012 138 HA SER 464 HA SER 464 1.717 5.263 -6.513 139 HB2 SER 464 HB2 SER 464 2.574 5.437 -8.709 140 HB3 SER 464 HB1 SER 464 3.985 5.130 -7.702 141 HG SER 464 HG SER 464 2.618 3.424 -9.468 142 H LEU 465 HN LEU 465 2.183 1.825 -7.115 143 HA LEU 465 HA LEU 465 -0.338 1.639 -8.577 144 HB2 LEU 465 HB2 LEU 465 0.253 -0.669 -8.956 145 HB3 LEU 465 HB1 LEU 465 1.681 0.319 -9.259 146 HG LEU 465 HG LEU 465 1.899 -0.210 -6.561 147 HD11 LEU 465 HD11 LEU 465 1.386 -2.498 -6.161 148 HD12 LEU 465 HD12 LEU 465 1.100 -2.814 -7.872 149 HD13 LEU 465 HD13 LEU 465 -0.050 -1.848 -6.951 150 HD21 LEU 465 HD21 LEU 465 3.579 -1.974 -7.380 151 HD22 LEU 465 HD22 LEU 465 3.785 -0.342 -8.013 152 HD23 LEU 465 HD23 LEU 465 3.027 -1.585 -9.008 153 H GLY 466 HN GLY 466 0.905 1.181 -5.383 154 HA2 GLY 466 HA2 GLY 466 -1.368 -0.433 -4.520 155 HA3 GLY 466 HA1 GLY 466 -0.005 0.068 -3.525 156 H TYR 467 HN TYR 467 -0.928 2.752 -5.171 157 HA TYR 467 HA TYR 467 -2.358 3.805 -2.848 158 HB2 TYR 467 HB2 TYR 467 -0.810 5.389 -3.455 159 HB3 TYR 467 HB1 TYR 467 -0.891 4.970 -5.166 160 HD1 TYR 467 HD2 TYR 467 -2.951 6.463 -2.417 161 HD2 TYR 467 HD1 TYR 467 -2.151 6.296 -6.633 162 HE1 TYR 467 HE2 TYR 467 -4.557 8.314 -2.795 163 HE2 TYR 467 HE1 TYR 467 -3.758 8.147 -7.011 164 HH TYR 467 HH TYR 467 -4.896 10.116 -4.578 165 H LEU 468 HN LEU 468 -2.851 3.226 -6.300 166 HA LEU 468 HA LEU 468 -5.372 4.492 -6.515 167 HB2 LEU 468 HB2 LEU 468 -4.256 2.177 -8.119 168 HB3 LEU 468 HB1 LEU 468 -5.616 3.198 -8.587 169 HG LEU 468 HG LEU 468 -3.029 4.534 -7.897 170 HD11 LEU 468 HD11 LEU 468 -2.206 2.829 -9.357 171 HD12 LEU 468 HD12 LEU 468 -2.396 4.277 -10.348 172 HD13 LEU 468 HD13 LEU 468 -3.596 2.986 -10.432 173 HD21 LEU 468 HD21 LEU 468 -5.385 5.531 -8.620 174 HD22 LEU 468 HD22 LEU 468 -4.788 5.160 -10.238 175 HD23 LEU 468 HD23 LEU 468 -3.882 6.256 -9.195 176 H LEU 469 HN LEU 469 -4.940 0.988 -6.878 177 HA LEU 469 HA LEU 469 -7.501 0.206 -6.297 178 HB2 LEU 469 HB2 LEU 469 -6.559 -1.979 -5.645 179 HB3 LEU 469 HB1 LEU 469 -5.788 -1.349 -7.100 180 HG LEU 469 HG LEU 469 -4.233 -0.277 -5.085 181 HD11 LEU 469 HD11 LEU 469 -4.837 -3.156 -4.357 182 HD12 LEU 469 HD12 LEU 469 -5.485 -1.770 -3.480 183 HD13 LEU 469 HD13 LEU 469 -3.746 -2.052 -3.520 184 HD21 LEU 469 HD21 LEU 469 -3.871 -2.893 -6.583 185 HD22 LEU 469 HD22 LEU 469 -2.578 -1.981 -5.806 186 HD23 LEU 469 HD23 LEU 469 -3.437 -1.292 -7.183 187 H ASP 470 HN ASP 470 -5.254 1.608 -4.153 188 HA ASP 470 HA ASP 470 -6.366 0.488 -1.728 189 HB2 ASP 470 HB2 ASP 470 -4.161 1.078 -1.379 190 HB3 ASP 470 HB1 ASP 470 -4.272 2.513 -2.396 191 H LYS 471 HN LYS 471 -6.677 3.460 -3.602 192 HA LYS 471 HA LYS 471 -8.689 4.458 -1.691 193 HB2 LYS 471 HB2 LYS 471 -7.257 5.855 -3.965 194 HB3 LYS 471 HB1 LYS 471 -8.442 6.607 -2.895 195 HG2 LYS 471 HG2 LYS 471 -6.559 5.316 -1.218 196 HG3 LYS 471 HG1 LYS 471 -5.628 6.179 -2.444 197 HD2 LYS 471 HD2 LYS 471 -6.849 8.249 -1.952 198 HD3 LYS 471 HD1 LYS 471 -7.840 7.398 -0.764 199 HE2 LYS 471 HE2 LYS 471 -6.143 7.289 0.784 200 HE3 LYS 471 HE1 LYS 471 -4.884 7.195 -0.448 201 HZ1 LYS 471 HZ1 LYS 471 -4.977 9.481 -0.819 202 HZ2 LYS 471 HZ2 LYS 471 -5.068 9.339 0.871 203 HZ3 LYS 471 HZ3 LYS 471 -6.471 9.655 -0.035 204 H LYS 472 HN LYS 472 -8.185 4.111 -5.209 205 HA LYS 472 HA LYS 472 -11.033 4.398 -5.709 206 HB2 LYS 472 HB2 LYS 472 -8.653 3.922 -7.509 207 HB3 LYS 472 HB1 LYS 472 -10.313 3.988 -8.102 208 HG2 LYS 472 HG2 LYS 472 -9.450 6.214 -6.328 209 HG3 LYS 472 HG1 LYS 472 -8.745 6.174 -7.946 210 HD2 LYS 472 HD2 LYS 472 -10.875 6.282 -8.996 211 HD3 LYS 472 HD1 LYS 472 -11.718 5.887 -7.497 212 HE2 LYS 472 HE2 LYS 472 -10.015 8.279 -7.304 213 HE3 LYS 472 HE1 LYS 472 -11.343 8.438 -8.455 214 HZ1 LYS 472 HZ1 LYS 472 -11.590 8.835 -5.827 215 HZ2 LYS 472 HZ2 LYS 472 -12.030 7.197 -5.930 216 HZ3 LYS 472 HZ3 LYS 472 -12.872 8.364 -6.833 217 HN1 NH2 473 H1 NH2 473 -8.906 1.897 -7.145 218 HN2 NH2 473 H2 NH2 473 -9.928 0.597 -6.764 Start of MODEL 12 1 H1 ACE 446 HA2 ACE 446 19.819 -0.377 -21.395 2 H2 ACE 446 HA3 ACE 446 21.117 0.336 -20.437 3 H3 ACE 446 HA1 ACE 446 20.167 1.348 -21.526 4 H LYS 447 HN LYS 447 17.826 -0.493 -20.517 5 HA LYS 447 HA LYS 447 17.071 1.312 -18.341 6 HB2 LYS 447 HB2 LYS 447 15.579 0.643 -20.363 7 HB3 LYS 447 HB1 LYS 447 15.318 -0.855 -19.466 8 HG2 LYS 447 HG2 LYS 447 14.830 0.776 -17.457 9 HG3 LYS 447 HG1 LYS 447 14.524 1.947 -18.740 10 HD2 LYS 447 HD2 LYS 447 12.409 1.038 -18.563 11 HD3 LYS 447 HD1 LYS 447 13.101 -0.081 -19.739 12 HE2 LYS 447 HE2 LYS 447 13.747 -1.598 -17.873 13 HE3 LYS 447 HE1 LYS 447 12.957 -0.502 -16.739 14 HZ1 LYS 447 HZ1 LYS 447 10.871 -0.874 -17.788 15 HZ2 LYS 447 HZ2 LYS 447 11.557 -2.396 -17.472 16 HZ3 LYS 447 HZ3 LYS 447 11.582 -1.759 -19.047 17 H ASP 448 HN ASP 448 17.695 -2.101 -18.959 18 HA ASP 448 HA ASP 448 16.921 -2.929 -16.301 19 HB2 ASP 448 HB2 ASP 448 17.928 -4.232 -18.763 20 HB3 ASP 448 HB1 ASP 448 18.339 -5.023 -17.242 21 H GLN 449 HN GLN 449 19.612 -1.409 -17.620 22 HA GLN 449 HA GLN 449 21.547 -2.608 -15.790 23 HB2 GLN 449 HB2 GLN 449 21.770 -0.448 -17.895 24 HB3 GLN 449 HB1 GLN 449 23.111 -0.942 -16.861 25 HG2 GLN 449 HG2 GLN 449 23.223 -2.159 -18.978 26 HG3 GLN 449 HG1 GLN 449 22.837 -3.278 -17.670 27 HE21 GLN 449 HE21 GLN 449 21.253 -4.729 -18.322 28 HE22 GLN 449 HE22 GLN 449 19.940 -4.352 -19.331 29 H PHE 450 HN PHE 450 19.298 -0.065 -15.807 30 HA PHE 450 HA PHE 450 20.774 1.587 -13.904 31 HB2 PHE 450 HB2 PHE 450 19.550 3.182 -14.896 32 HB3 PHE 450 HB1 PHE 450 18.570 1.976 -15.728 33 HD1 PHE 450 HD2 PHE 450 18.994 3.717 -12.450 34 HD2 PHE 450 HD1 PHE 450 16.353 1.531 -15.039 35 HE1 PHE 450 HE2 PHE 450 17.096 4.211 -10.932 36 HE2 PHE 450 HE1 PHE 450 14.455 2.026 -13.522 37 HZ PHE 450 HZ PHE 450 14.827 3.366 -11.467 38 H ILE 451 HN ILE 451 18.368 -0.896 -13.945 39 HA ILE 451 HA ILE 451 17.290 -0.319 -11.333 40 HB ILE 451 HB ILE 451 17.008 -2.566 -13.305 41 HG12 ILE 451 HG12 ILE 451 14.752 -1.184 -11.925 42 HG13 ILE 451 HG11 ILE 451 15.693 -0.232 -13.076 43 HG21 ILE 451 HG21 ILE 451 17.046 -3.843 -11.331 44 HG22 ILE 451 HG22 ILE 451 15.334 -3.470 -11.525 45 HG23 ILE 451 HG23 ILE 451 16.310 -2.557 -10.375 46 HD11 ILE 451 HD11 ILE 451 14.536 -2.955 -13.725 47 HD12 ILE 451 HD12 ILE 451 15.256 -1.802 -14.849 48 HD13 ILE 451 HD13 ILE 451 13.709 -1.439 -14.084 49 H ILE 452 HN ILE 452 19.414 -2.861 -12.661 50 HA ILE 452 HA ILE 452 19.973 -4.259 -10.347 51 HB ILE 452 HB ILE 452 20.761 -4.789 -12.694 52 HG12 ILE 452 HG12 ILE 452 22.766 -4.861 -10.415 53 HG13 ILE 452 HG11 ILE 452 21.543 -6.083 -10.772 54 HG21 ILE 452 HG21 ILE 452 23.198 -3.161 -12.039 55 HG22 ILE 452 HG22 ILE 452 21.813 -2.373 -12.797 56 HG23 ILE 452 HG23 ILE 452 22.616 -3.717 -13.609 57 HD11 ILE 452 HD11 ILE 452 22.815 -5.900 -13.183 58 HD12 ILE 452 HD12 ILE 452 23.216 -7.086 -11.942 59 HD13 ILE 452 HD13 ILE 452 24.150 -5.596 -12.072 60 H ALA 453 HN ALA 453 21.145 -1.124 -11.357 61 HA ALA 453 HA ALA 453 23.333 -0.900 -9.575 62 HB1 ALA 453 HB1 ALA 453 22.817 0.596 -11.559 63 HB2 ALA 453 HB2 ALA 453 23.307 1.430 -10.085 64 HB3 ALA 453 HB3 ALA 453 21.605 1.380 -10.545 65 H TYR 454 HN TYR 454 19.933 0.110 -9.298 66 HA TYR 454 HA TYR 454 20.312 0.989 -6.556 67 HB2 TYR 454 HB2 TYR 454 17.985 0.901 -8.459 68 HB3 TYR 454 HB1 TYR 454 17.728 1.203 -6.740 69 HD1 TYR 454 HD2 TYR 454 19.494 2.423 -9.778 70 HD2 TYR 454 HD1 TYR 454 18.294 3.301 -5.748 71 HE1 TYR 454 HE2 TYR 454 20.166 4.790 -10.092 72 HE2 TYR 454 HE1 TYR 454 18.965 5.667 -6.063 73 HH TYR 454 HH TYR 454 20.914 6.774 -8.052 74 H GLY 455 HN GLY 455 20.455 -1.947 -7.668 75 HA2 GLY 455 HA2 GLY 455 19.770 -4.061 -7.006 76 HA3 GLY 455 HA1 GLY 455 19.973 -3.368 -5.399 77 H GLY 456 HN GLY 456 17.608 -3.378 -8.071 78 HA2 GLY 456 HA2 GLY 456 15.310 -3.440 -8.072 79 HA3 GLY 456 HA1 GLY 456 15.479 -4.468 -6.653 80 H LEU 457 HN LEU 457 16.946 -1.457 -6.229 81 HA LEU 457 HA LEU 457 16.452 0.377 -4.952 82 HB2 LEU 457 HB2 LEU 457 14.700 0.667 -6.744 83 HB3 LEU 457 HB1 LEU 457 13.562 -0.157 -5.682 84 HG LEU 457 HG LEU 457 14.885 1.880 -4.161 85 HD11 LEU 457 HD11 LEU 457 13.602 2.871 -6.723 86 HD12 LEU 457 HD12 LEU 457 15.332 2.907 -6.386 87 HD13 LEU 457 HD13 LEU 457 14.224 3.871 -5.411 88 HD21 LEU 457 HD21 LEU 457 12.594 2.647 -3.828 89 HD22 LEU 457 HD22 LEU 457 12.607 0.883 -3.814 90 HD23 LEU 457 HD23 LEU 457 12.055 1.750 -5.246 91 H ARG 458 HN ARG 458 16.102 -2.546 -3.988 92 HA ARG 458 HA ARG 458 14.304 -2.192 -1.719 93 HB2 ARG 458 HB2 ARG 458 15.713 -4.450 -3.015 94 HB3 ARG 458 HB1 ARG 458 15.519 -4.575 -1.268 95 HG2 ARG 458 HG2 ARG 458 13.601 -5.603 -2.374 96 HG3 ARG 458 HG1 ARG 458 13.075 -4.141 -1.543 97 HD2 ARG 458 HD2 ARG 458 13.228 -2.886 -3.669 98 HD3 ARG 458 HD1 ARG 458 13.738 -4.356 -4.495 99 HE ARG 458 HE ARG 458 11.531 -5.130 -4.398 100 HH11 ARG 458 HH21 ARG 458 12.000 -2.284 -2.486 101 HH12 ARG 458 HH22 ARG 458 10.308 -2.010 -2.232 102 HH21 ARG 458 HH11 ARG 458 9.310 -4.776 -4.068 103 HH22 ARG 458 HH12 ARG 458 8.786 -3.421 -3.126 104 H GLY 459 HN GLY 459 17.083 -0.848 -2.235 105 HA2 GLY 459 HA2 GLY 459 18.466 -1.668 0.220 106 HA3 GLY 459 HA1 GLY 459 19.114 -0.611 -1.032 107 H ALA 460 HN ALA 460 15.891 -0.200 0.260 108 HA ALA 460 HA ALA 460 16.783 2.036 1.946 109 HB1 ALA 460 HB1 ALA 460 16.166 3.480 0.322 110 HB2 ALA 460 HB2 ALA 460 14.518 3.070 0.796 111 HB3 ALA 460 HB3 ALA 460 15.277 2.244 -0.565 112 H ILE 461 HN ILE 461 13.877 0.330 0.769 113 HA ILE 461 HA ILE 461 12.182 0.852 2.894 114 HB ILE 461 HB ILE 461 12.436 -1.458 0.995 115 HG12 ILE 461 HG12 ILE 461 10.252 -0.595 0.247 116 HG13 ILE 461 HG11 ILE 461 10.270 0.597 1.547 117 HG21 ILE 461 HG21 ILE 461 10.702 -1.261 3.453 118 HG22 ILE 461 HG22 ILE 461 11.629 -2.642 2.863 119 HG23 ILE 461 HG23 ILE 461 10.153 -2.151 2.033 120 HD11 ILE 461 HD11 ILE 461 12.474 0.423 -0.515 121 HD12 ILE 461 HD12 ILE 461 12.139 1.744 0.604 122 HD13 ILE 461 HD13 ILE 461 11.046 1.431 -0.743 123 H ALA 462 HN ALA 462 14.661 -1.655 2.592 124 HA ALA 462 HA ALA 462 14.085 -3.080 4.943 125 HB1 ALA 462 HB1 ALA 462 16.674 -2.643 3.447 126 HB2 ALA 462 HB2 ALA 462 15.596 -4.037 3.355 127 HB3 ALA 462 HB3 ALA 462 16.527 -3.738 4.824 128 H PHE 463 HN PHE 463 15.721 -0.050 4.411 129 HA PHE 463 HA PHE 463 16.739 0.046 7.149 130 HB2 PHE 463 HB2 PHE 463 18.324 1.204 6.046 131 HB3 PHE 463 HB1 PHE 463 17.285 1.440 4.640 132 HD1 PHE 463 HD1 PHE 463 15.795 3.374 4.473 133 HD2 PHE 463 HD2 PHE 463 18.345 2.815 7.884 134 HE1 PHE 463 HE1 PHE 463 15.389 5.721 5.162 135 HE2 PHE 463 HE2 PHE 463 17.939 5.161 8.572 136 HZ PHE 463 HZ PHE 463 16.461 6.616 7.212 137 H SER 464 HN SER 464 14.452 1.818 5.076 138 HA SER 464 HA SER 464 13.586 3.699 6.959 139 HB2 SER 464 HB2 SER 464 11.841 4.168 5.480 140 HB3 SER 464 HB1 SER 464 13.064 3.476 4.417 141 HG SER 464 HG SER 464 11.578 1.526 5.504 142 H LEU 465 HN LEU 465 13.171 0.331 6.928 143 HA LEU 465 HA LEU 465 10.697 0.365 8.478 144 HB2 LEU 465 HB2 LEU 465 12.205 -1.605 6.947 145 HB3 LEU 465 HB1 LEU 465 11.697 -2.227 8.517 146 HG LEU 465 HG LEU 465 9.381 -1.558 8.061 147 HD11 LEU 465 HD11 LEU 465 10.706 -0.074 5.917 148 HD12 LEU 465 HD12 LEU 465 9.119 0.181 6.640 149 HD13 LEU 465 HD13 LEU 465 9.317 -0.993 5.340 150 HD21 LEU 465 HD21 LEU 465 10.607 -3.716 7.051 151 HD22 LEU 465 HD22 LEU 465 10.166 -2.940 5.529 152 HD23 LEU 465 HD23 LEU 465 8.914 -3.364 6.697 153 H GLY 466 HN GLY 466 14.097 -0.604 8.904 154 HA2 GLY 466 HA2 GLY 466 13.726 -1.114 11.733 155 HA3 GLY 466 HA1 GLY 466 15.242 -1.209 10.840 156 H TYR 467 HN TYR 467 13.879 1.664 10.007 157 HA TYR 467 HA TYR 467 15.644 3.135 11.811 158 HB2 TYR 467 HB2 TYR 467 15.951 4.011 9.709 159 HB3 TYR 467 HB1 TYR 467 14.287 3.696 9.217 160 HD1 TYR 467 HD1 TYR 467 16.340 5.838 11.497 161 HD2 TYR 467 HD2 TYR 467 12.675 5.410 9.297 162 HE1 TYR 467 HE1 TYR 467 15.731 8.175 12.055 163 HE2 TYR 467 HE2 TYR 467 12.066 7.747 9.857 164 HH TYR 467 HH TYR 467 13.634 9.531 12.248 165 H LEU 468 HN LEU 468 12.213 2.871 11.004 166 HA LEU 468 HA LEU 468 11.283 5.018 12.575 167 HB2 LEU 468 HB2 LEU 468 9.865 2.440 11.864 168 HB3 LEU 468 HB1 LEU 468 9.094 3.919 12.435 169 HG LEU 468 HG LEU 468 10.886 4.098 10.044 170 HD11 LEU 468 HD11 LEU 468 8.861 3.579 8.619 171 HD12 LEU 468 HD12 LEU 468 8.097 2.928 10.069 172 HD13 LEU 468 HD13 LEU 468 9.567 2.184 9.438 173 HD21 LEU 468 HD21 LEU 468 8.194 5.370 10.345 174 HD22 LEU 468 HD22 LEU 468 9.658 6.013 9.602 175 HD23 LEU 468 HD23 LEU 468 9.511 5.959 11.358 176 H LEU 469 HN LEU 469 10.574 1.634 13.377 177 HA LEU 469 HA LEU 469 10.010 1.926 16.029 178 HB2 LEU 469 HB2 LEU 469 10.717 -0.420 16.335 179 HB3 LEU 469 HB1 LEU 469 9.780 -0.210 14.856 180 HG LEU 469 HG LEU 469 12.357 0.267 13.992 181 HD11 LEU 469 HD11 LEU 469 13.060 -0.565 16.320 182 HD12 LEU 469 HD12 LEU 469 13.816 -1.359 14.938 183 HD13 LEU 469 HD13 LEU 469 12.497 -2.152 15.799 184 HD21 LEU 469 HD21 LEU 469 10.844 -1.068 12.724 185 HD22 LEU 469 HD22 LEU 469 10.649 -2.228 14.036 186 HD23 LEU 469 HD23 LEU 469 12.169 -2.151 13.147 187 H ASP 470 HN ASP 470 13.059 2.327 14.521 188 HA ASP 470 HA ASP 470 14.665 1.901 16.879 189 HB2 ASP 470 HB2 ASP 470 15.108 2.661 14.066 190 HB3 ASP 470 HB1 ASP 470 16.235 3.382 15.215 191 H LYS 471 HN LYS 471 13.294 4.671 15.165 192 HA LYS 471 HA LYS 471 14.263 6.454 17.311 193 HB2 LYS 471 HB2 LYS 471 13.260 7.088 14.523 194 HB3 LYS 471 HB1 LYS 471 13.766 8.286 15.716 195 HG2 LYS 471 HG2 LYS 471 15.832 6.340 15.574 196 HG3 LYS 471 HG1 LYS 471 15.405 6.763 13.916 197 HD2 LYS 471 HD2 LYS 471 15.673 9.147 14.432 198 HD3 LYS 471 HD1 LYS 471 16.052 8.754 16.108 199 HE2 LYS 471 HE2 LYS 471 18.190 8.214 15.606 200 HE3 LYS 471 HE1 LYS 471 17.701 7.267 14.201 201 HZ1 LYS 471 HZ1 LYS 471 19.063 9.334 13.766 202 HZ2 LYS 471 HZ2 LYS 471 17.679 10.226 14.191 203 HZ3 LYS 471 HZ3 LYS 471 17.638 9.167 12.862 204 H LYS 472 HN LYS 472 11.401 5.993 15.220 205 HA LYS 472 HA LYS 472 9.697 7.444 17.041 206 HB2 LYS 472 HB2 LYS 472 9.177 5.845 14.533 207 HB3 LYS 472 HB1 LYS 472 7.883 6.587 15.474 208 HG2 LYS 472 HG2 LYS 472 10.166 8.366 14.859 209 HG3 LYS 472 HG1 LYS 472 9.209 7.862 13.464 210 HD2 LYS 472 HD2 LYS 472 7.180 8.701 14.456 211 HD3 LYS 472 HD1 LYS 472 7.992 8.999 15.992 212 HE2 LYS 472 HE2 LYS 472 9.247 10.802 15.115 213 HE3 LYS 472 HE1 LYS 472 8.922 10.327 13.449 214 HZ1 LYS 472 HZ1 LYS 472 7.090 11.545 13.449 215 HZ2 LYS 472 HZ2 LYS 472 7.489 12.119 14.998 216 HZ3 LYS 472 HZ3 LYS 472 6.493 10.753 14.824 217 HN1 NH2 473 H1 NH2 473 10.600 4.076 16.636 218 HN2 NH2 473 H2 NH2 473 9.519 3.456 17.788 Start of MODEL 13 1 H1 ACE 446 HA2 ACE 446 18.743 1.370 -22.232 2 H2 ACE 446 HA3 ACE 446 19.146 -0.198 -21.533 3 H3 ACE 446 HA1 ACE 446 20.112 1.224 -21.131 4 H LYS 447 HN LYS 447 18.105 -0.792 -19.722 5 HA LYS 447 HA LYS 447 17.037 1.251 -17.911 6 HB2 LYS 447 HB2 LYS 447 15.430 -0.468 -19.678 7 HB3 LYS 447 HB1 LYS 447 14.938 -0.499 -17.984 8 HG2 LYS 447 HG2 LYS 447 14.693 1.903 -17.937 9 HG3 LYS 447 HG1 LYS 447 15.404 2.055 -19.544 10 HD2 LYS 447 HD2 LYS 447 12.940 2.219 -19.641 11 HD3 LYS 447 HD1 LYS 447 13.520 0.797 -20.510 12 HE2 LYS 447 HE2 LYS 447 12.742 -0.679 -18.891 13 HE3 LYS 447 HE1 LYS 447 12.809 0.531 -17.609 14 HZ1 LYS 447 HZ1 LYS 447 10.597 -0.211 -19.062 15 HZ2 LYS 447 HZ2 LYS 447 11.022 1.317 -19.671 16 HZ3 LYS 447 HZ3 LYS 447 10.724 1.114 -18.010 17 H ASP 448 HN ASP 448 17.678 -2.145 -18.615 18 HA ASP 448 HA ASP 448 17.212 -3.122 -15.987 19 HB2 ASP 448 HB2 ASP 448 17.632 -4.307 -18.382 20 HB3 ASP 448 HB1 ASP 448 19.228 -4.500 -17.658 21 H GLN 449 HN GLN 449 19.969 -1.669 -17.584 22 HA GLN 449 HA GLN 449 21.912 -2.407 -15.622 23 HB2 GLN 449 HB2 GLN 449 21.796 -0.653 -17.997 24 HB3 GLN 449 HB1 GLN 449 22.951 -0.167 -16.756 25 HG2 GLN 449 HG2 GLN 449 22.781 -3.000 -17.799 26 HG3 GLN 449 HG1 GLN 449 23.836 -1.786 -18.519 27 HE21 GLN 449 HE21 GLN 449 24.617 -0.439 -16.081 28 HE22 GLN 449 HE22 GLN 449 25.571 -1.517 -15.181 29 H PHE 450 HN PHE 450 19.375 -0.142 -15.664 30 HA PHE 450 HA PHE 450 20.627 1.663 -13.740 31 HB2 PHE 450 HB2 PHE 450 17.854 1.642 -14.956 32 HB3 PHE 450 HB1 PHE 450 18.480 2.895 -13.883 33 HD1 PHE 450 HD2 PHE 450 19.238 1.126 -17.095 34 HD2 PHE 450 HD1 PHE 450 19.695 4.703 -14.761 35 HE1 PHE 450 HE2 PHE 450 20.309 2.250 -19.028 36 HE2 PHE 450 HE1 PHE 450 20.765 5.828 -16.694 37 HZ PHE 450 HZ PHE 450 21.073 4.602 -18.828 38 H ILE 451 HN ILE 451 17.987 -0.701 -13.893 39 HA ILE 451 HA ILE 451 17.121 -0.357 -11.207 40 HB ILE 451 HB ILE 451 16.805 -2.623 -13.180 41 HG12 ILE 451 HG12 ILE 451 14.575 -0.956 -12.095 42 HG13 ILE 451 HG11 ILE 451 15.667 -0.198 -13.254 43 HG21 ILE 451 HG21 ILE 451 15.988 -2.360 -10.307 44 HG22 ILE 451 HG22 ILE 451 16.527 -3.788 -11.188 45 HG23 ILE 451 HG23 ILE 451 14.894 -3.168 -11.429 46 HD11 ILE 451 HD11 ILE 451 14.456 -2.908 -13.792 47 HD12 ILE 451 HD12 ILE 451 15.155 -1.771 -14.944 48 HD13 ILE 451 HD13 ILE 451 13.595 -1.423 -14.198 49 H ILE 452 HN ILE 452 19.044 -2.966 -12.711 50 HA ILE 452 HA ILE 452 19.699 -4.336 -10.372 51 HB ILE 452 HB ILE 452 20.134 -4.950 -12.859 52 HG12 ILE 452 HG12 ILE 452 22.041 -5.514 -10.574 53 HG13 ILE 452 HG11 ILE 452 20.683 -6.503 -11.114 54 HG21 ILE 452 HG21 ILE 452 22.873 -3.861 -12.252 55 HG22 ILE 452 HG22 ILE 452 21.661 -2.827 -13.005 56 HG23 ILE 452 HG23 ILE 452 22.178 -4.308 -13.810 57 HD11 ILE 452 HD11 ILE 452 22.579 -7.582 -12.031 58 HD12 ILE 452 HD12 ILE 452 23.334 -6.054 -12.486 59 HD13 ILE 452 HD13 ILE 452 21.928 -6.642 -13.373 60 H ALA 453 HN ALA 453 20.693 -1.250 -11.410 61 HA ALA 453 HA ALA 453 23.197 -1.244 -9.930 62 HB1 ALA 453 HB1 ALA 453 22.499 1.395 -10.571 63 HB2 ALA 453 HB2 ALA 453 21.927 0.422 -11.926 64 HB3 ALA 453 HB3 ALA 453 23.623 0.353 -11.445 65 H TYR 454 HN TYR 454 19.874 -0.238 -9.504 66 HA TYR 454 HA TYR 454 20.478 0.413 -6.701 67 HB2 TYR 454 HB2 TYR 454 18.798 2.174 -8.502 68 HB3 TYR 454 HB1 TYR 454 19.119 2.436 -6.789 69 HD1 TYR 454 HD2 TYR 454 21.612 2.608 -6.068 70 HD2 TYR 454 HD1 TYR 454 20.253 3.064 -10.117 71 HE1 TYR 454 HE2 TYR 454 23.713 3.794 -6.640 72 HE2 TYR 454 HE1 TYR 454 22.355 4.250 -10.689 73 HH TYR 454 HH TYR 454 24.504 4.636 -9.957 74 H GLY 455 HN GLY 455 17.623 0.653 -8.825 75 HA2 GLY 455 HA2 GLY 455 15.656 -0.104 -7.115 76 HA3 GLY 455 HA1 GLY 455 15.644 -0.557 -8.817 77 H GLY 456 HN GLY 456 18.225 -2.096 -8.281 78 HA2 GLY 456 HA2 GLY 456 16.896 -4.543 -7.315 79 HA3 GLY 456 HA1 GLY 456 18.319 -4.492 -8.351 80 H LEU 457 HN LEU 457 19.983 -2.778 -7.046 81 HA LEU 457 HA LEU 457 21.111 -4.392 -5.032 82 HB2 LEU 457 HB2 LEU 457 22.536 -2.900 -6.247 83 HB3 LEU 457 HB1 LEU 457 21.565 -1.502 -5.794 84 HG LEU 457 HG LEU 457 22.254 -1.670 -3.488 85 HD11 LEU 457 HD11 LEU 457 23.364 -4.332 -4.381 86 HD12 LEU 457 HD12 LEU 457 22.282 -3.990 -3.030 87 HD13 LEU 457 HD13 LEU 457 23.980 -3.528 -2.938 88 HD21 LEU 457 HD21 LEU 457 24.437 -0.966 -3.756 89 HD22 LEU 457 HD22 LEU 457 23.911 -0.910 -5.439 90 HD23 LEU 457 HD23 LEU 457 24.842 -2.288 -4.851 91 H ARG 458 HN ARG 458 19.747 -1.112 -4.649 92 HA ARG 458 HA ARG 458 19.672 -0.872 -1.950 93 HB2 ARG 458 HB2 ARG 458 17.932 0.098 -4.135 94 HB3 ARG 458 HB1 ARG 458 17.233 0.164 -2.518 95 HG2 ARG 458 HG2 ARG 458 18.459 2.249 -3.074 96 HG3 ARG 458 HG1 ARG 458 19.186 1.410 -1.703 97 HD2 ARG 458 HD2 ARG 458 20.221 0.614 -4.356 98 HD3 ARG 458 HD1 ARG 458 20.592 2.267 -3.874 99 HE ARG 458 HE ARG 458 21.630 -0.159 -2.674 100 HH11 ARG 458 HH21 ARG 458 20.940 3.212 -2.308 101 HH12 ARG 458 HH22 ARG 458 22.122 3.461 -1.066 102 HH21 ARG 458 HH11 ARG 458 23.181 0.159 -1.044 103 HH22 ARG 458 HH12 ARG 458 23.389 1.732 -0.350 104 H GLY 459 HN GLY 459 17.889 -3.137 -3.842 105 HA2 GLY 459 HA2 GLY 459 15.869 -3.713 -1.875 106 HA3 GLY 459 HA1 GLY 459 16.224 -4.657 -3.318 107 H ALA 460 HN ALA 460 18.503 -3.765 -0.767 108 HA ALA 460 HA ALA 460 18.545 -6.550 0.182 109 HB1 ALA 460 HB1 ALA 460 20.786 -6.895 -0.244 110 HB2 ALA 460 HB2 ALA 460 21.161 -5.172 -0.237 111 HB3 ALA 460 HB3 ALA 460 20.363 -5.895 -1.633 112 H ILE 461 HN ILE 461 20.095 -3.365 0.631 113 HA ILE 461 HA ILE 461 20.797 -3.658 3.311 114 HB ILE 461 HB ILE 461 20.141 -1.284 1.594 115 HG12 ILE 461 HG12 ILE 461 22.524 -0.812 1.984 116 HG13 ILE 461 HG11 ILE 461 22.628 -2.189 3.082 117 HG21 ILE 461 HG21 ILE 461 20.538 -1.372 4.579 118 HG22 ILE 461 HG22 ILE 461 19.357 -0.449 3.648 119 HG23 ILE 461 HG23 ILE 461 21.052 0.033 3.647 120 HD11 ILE 461 HD11 ILE 461 21.713 -2.487 0.217 121 HD12 ILE 461 HD12 ILE 461 22.249 -3.750 1.324 122 HD13 ILE 461 HD13 ILE 461 23.412 -2.596 0.675 123 H ALA 462 HN ALA 462 17.781 -2.416 1.896 124 HA ALA 462 HA ALA 462 16.432 -1.593 4.145 125 HB1 ALA 462 HB1 ALA 462 14.554 -1.615 2.844 126 HB2 ALA 462 HB2 ALA 462 14.859 -3.247 2.246 127 HB3 ALA 462 HB3 ALA 462 15.735 -1.876 1.560 128 H PHE 463 HN PHE 463 16.969 -4.886 3.016 129 HA PHE 463 HA PHE 463 15.383 -5.995 5.205 130 HB2 PHE 463 HB2 PHE 463 15.032 -7.536 3.605 131 HB3 PHE 463 HB1 PHE 463 16.382 -6.943 2.636 132 HD1 PHE 463 HD2 PHE 463 15.416 -9.193 5.416 133 HD2 PHE 463 HD1 PHE 463 18.575 -7.932 2.793 134 HE1 PHE 463 HE2 PHE 463 16.785 -11.134 6.131 135 HE2 PHE 463 HE1 PHE 463 19.944 -9.874 3.506 136 HZ PHE 463 HZ PHE 463 19.047 -11.475 5.175 137 H SER 464 HN SER 464 18.748 -5.782 4.136 138 HA SER 464 HA SER 464 19.928 -7.469 6.028 139 HB2 SER 464 HB2 SER 464 21.902 -6.681 5.217 140 HB3 SER 464 HB1 SER 464 20.869 -5.970 3.981 141 HG SER 464 HG SER 464 21.802 -4.755 6.374 142 H LEU 465 HN LEU 465 18.882 -4.112 6.275 143 HA LEU 465 HA LEU 465 19.952 -3.898 8.985 144 HB2 LEU 465 HB2 LEU 465 20.256 -1.811 8.200 145 HB3 LEU 465 HB1 LEU 465 19.126 -2.044 6.876 146 HG LEU 465 HG LEU 465 18.219 -1.523 9.729 147 HD11 LEU 465 HD11 LEU 465 17.839 0.828 8.880 148 HD12 LEU 465 HD12 LEU 465 18.838 0.410 7.489 149 HD13 LEU 465 HD13 LEU 465 19.530 0.384 9.110 150 HD21 LEU 465 HD21 LEU 465 16.503 -0.531 7.642 151 HD22 LEU 465 HD22 LEU 465 16.149 -1.769 8.846 152 HD23 LEU 465 HD23 LEU 465 16.873 -2.222 7.304 153 H GLY 466 HN GLY 466 16.983 -4.541 7.326 154 HA2 GLY 466 HA2 GLY 466 15.348 -4.086 9.710 155 HA3 GLY 466 HA1 GLY 466 14.765 -4.561 8.118 156 H TYR 467 HN TYR 467 17.392 -6.445 8.778 157 HA TYR 467 HA TYR 467 15.697 -8.727 9.456 158 HB2 TYR 467 HB2 TYR 467 17.081 -9.515 7.840 159 HB3 TYR 467 HB1 TYR 467 18.332 -8.320 8.184 160 HD1 TYR 467 HD1 TYR 467 16.725 -11.377 9.630 161 HD2 TYR 467 HD2 TYR 467 20.261 -8.953 9.358 162 HE1 TYR 467 HE1 TYR 467 17.986 -13.073 10.927 163 HE2 TYR 467 HE2 TYR 467 21.524 -10.649 10.654 164 HH TYR 467 HH TYR 467 21.365 -13.084 11.136 165 H LEU 468 HN LEU 468 18.473 -6.949 10.747 166 HA LEU 468 HA LEU 468 18.948 -8.656 12.962 167 HB2 LEU 468 HB2 LEU 468 19.638 -5.773 12.401 168 HB3 LEU 468 HB1 LEU 468 20.111 -6.583 13.894 169 HG LEU 468 HG LEU 468 20.713 -8.187 11.524 170 HD11 LEU 468 HD11 LEU 468 22.690 -6.697 10.913 171 HD12 LEU 468 HD12 LEU 468 21.877 -5.409 11.800 172 HD13 LEU 468 HD13 LEU 468 21.110 -6.125 10.383 173 HD21 LEU 468 HD21 LEU 468 21.540 -8.446 13.925 174 HD22 LEU 468 HD22 LEU 468 22.561 -7.038 13.631 175 HD23 LEU 468 HD23 LEU 468 22.789 -8.508 12.681 176 H LEU 469 HN LEU 469 17.843 -5.291 13.272 177 HA LEU 469 HA LEU 469 16.772 -5.450 15.786 178 HB2 LEU 469 HB2 LEU 469 15.311 -3.555 15.160 179 HB3 LEU 469 HB1 LEU 469 16.961 -3.337 14.579 180 HG LEU 469 HG LEU 469 15.779 -4.694 12.489 181 HD11 LEU 469 HD11 LEU 469 13.791 -2.593 13.363 182 HD12 LEU 469 HD12 LEU 469 13.580 -4.298 13.759 183 HD13 LEU 469 HD13 LEU 469 13.622 -3.781 12.074 184 HD21 LEU 469 HD21 LEU 469 15.814 -2.486 11.360 185 HD22 LEU 469 HD22 LEU 469 17.265 -2.733 12.331 186 HD23 LEU 469 HD23 LEU 469 15.970 -1.695 12.930 187 H ASP 470 HN ASP 470 15.629 -7.022 12.990 188 HA ASP 470 HA ASP 470 12.921 -7.371 14.059 189 HB2 ASP 470 HB2 ASP 470 13.082 -6.931 11.678 190 HB3 ASP 470 HB1 ASP 470 14.197 -8.280 11.471 191 H LYS 471 HN LYS 471 15.914 -9.115 13.550 192 HA LYS 471 HA LYS 471 14.739 -11.459 14.926 193 HB2 LYS 471 HB2 LYS 471 16.881 -11.433 12.784 194 HB3 LYS 471 HB1 LYS 471 16.319 -12.863 13.651 195 HG2 LYS 471 HG2 LYS 471 14.271 -11.148 12.312 196 HG3 LYS 471 HG1 LYS 471 15.277 -12.180 11.295 197 HD2 LYS 471 HD2 LYS 471 14.028 -13.363 13.748 198 HD3 LYS 471 HD1 LYS 471 13.021 -13.108 12.324 199 HE2 LYS 471 HE2 LYS 471 14.257 -14.597 11.017 200 HE3 LYS 471 HE1 LYS 471 15.695 -14.444 12.027 201 HZ1 LYS 471 HZ1 LYS 471 15.009 -16.344 12.937 202 HZ2 LYS 471 HZ2 LYS 471 13.439 -16.206 12.301 203 HZ3 LYS 471 HZ3 LYS 471 13.847 -15.410 13.745 204 H LYS 472 HN LYS 472 17.925 -10.063 14.102 205 HA LYS 472 HA LYS 472 19.897 -10.057 15.311 206 HB2 LYS 472 HB2 LYS 472 18.536 -8.155 16.248 207 HB3 LYS 472 HB1 LYS 472 18.038 -9.235 17.550 208 HG2 LYS 472 HG2 LYS 472 19.921 -8.655 18.642 209 HG3 LYS 472 HG1 LYS 472 20.827 -9.521 17.400 210 HD2 LYS 472 HD2 LYS 472 21.706 -7.281 17.481 211 HD3 LYS 472 HD1 LYS 472 20.751 -7.411 16.004 212 HE2 LYS 472 HE2 LYS 472 18.923 -6.631 17.991 213 HE3 LYS 472 HE1 LYS 472 20.363 -5.656 18.281 214 HZ1 LYS 472 HZ1 LYS 472 18.497 -5.056 16.472 215 HZ2 LYS 472 HZ2 LYS 472 19.584 -5.934 15.504 216 HZ3 LYS 472 HZ3 LYS 472 20.116 -4.561 16.354 217 HN1 NH2 473 H1 NH2 473 19.399 -10.486 18.459 218 HN2 NH2 473 H2 NH2 473 19.522 -12.175 18.586 Start of MODEL 14 1 H1 ACE 446 HA2 ACE 446 18.559 -0.806 -21.379 2 H2 ACE 446 HA3 ACE 446 19.288 0.778 -21.641 3 H3 ACE 446 HA1 ACE 446 17.544 0.571 -21.805 4 H LYS 447 HN LYS 447 16.508 -0.412 -19.734 5 HA LYS 447 HA LYS 447 17.350 1.276 -17.496 6 HB2 LYS 447 HB2 LYS 447 14.949 -0.453 -17.261 7 HB3 LYS 447 HB1 LYS 447 15.181 1.233 -16.795 8 HG2 LYS 447 HG2 LYS 447 15.147 1.861 -19.217 9 HG3 LYS 447 HG1 LYS 447 14.786 0.181 -19.615 10 HD2 LYS 447 HD2 LYS 447 13.050 1.603 -17.620 11 HD3 LYS 447 HD1 LYS 447 12.823 1.926 -19.338 12 HE2 LYS 447 HE2 LYS 447 12.542 -0.484 -19.764 13 HE3 LYS 447 HE1 LYS 447 12.775 -0.819 -18.048 14 HZ1 LYS 447 HZ1 LYS 447 10.483 -0.741 -18.305 15 HZ2 LYS 447 HZ2 LYS 447 10.537 0.584 -19.367 16 HZ3 LYS 447 HZ3 LYS 447 10.854 0.804 -17.713 17 H ASP 448 HN ASP 448 16.985 -2.107 -18.376 18 HA ASP 448 HA ASP 448 17.161 -3.377 -15.935 19 HB2 ASP 448 HB2 ASP 448 17.440 -5.229 -17.183 20 HB3 ASP 448 HB1 ASP 448 17.323 -4.159 -18.580 21 H GLN 449 HN GLN 449 19.540 -1.447 -17.516 22 HA GLN 449 HA GLN 449 21.734 -2.489 -15.897 23 HB2 GLN 449 HB2 GLN 449 21.691 -0.204 -17.883 24 HB3 GLN 449 HB1 GLN 449 23.128 -0.921 -17.152 25 HG2 GLN 449 HG2 GLN 449 21.979 -3.154 -18.135 26 HG3 GLN 449 HG1 GLN 449 21.366 -1.979 -19.300 27 HE21 GLN 449 HE21 GLN 449 24.370 -3.349 -17.942 28 HE22 GLN 449 HE22 GLN 449 25.365 -2.845 -19.223 29 H PHE 450 HN PHE 450 19.417 0.056 -15.869 30 HA PHE 450 HA PHE 450 20.930 1.665 -13.953 31 HB2 PHE 450 HB2 PHE 450 19.774 3.278 -15.004 32 HB3 PHE 450 HB1 PHE 450 18.697 2.103 -15.761 33 HD1 PHE 450 HD1 PHE 450 19.330 3.990 -12.609 34 HD2 PHE 450 HD2 PHE 450 16.509 1.719 -14.920 35 HE1 PHE 450 HE1 PHE 450 17.525 4.626 -11.033 36 HE2 PHE 450 HE2 PHE 450 14.704 2.357 -13.343 37 HZ PHE 450 HZ PHE 450 15.212 3.811 -11.399 38 H ILE 451 HN ILE 451 18.463 -0.753 -14.028 39 HA ILE 451 HA ILE 451 17.421 -0.160 -11.390 40 HB ILE 451 HB ILE 451 16.965 -2.331 -13.418 41 HG12 ILE 451 HG12 ILE 451 14.797 -0.849 -12.023 42 HG13 ILE 451 HG11 ILE 451 15.826 0.103 -13.094 43 HG21 ILE 451 HG21 ILE 451 16.294 -2.328 -10.484 44 HG22 ILE 451 HG22 ILE 451 16.903 -3.651 -11.480 45 HG23 ILE 451 HG23 ILE 451 15.227 -3.126 -11.637 46 HD11 ILE 451 HD11 ILE 451 13.811 -0.897 -14.233 47 HD12 ILE 451 HD12 ILE 451 14.495 -2.491 -13.916 48 HD13 ILE 451 HD13 ILE 451 15.350 -1.356 -14.961 49 H ILE 452 HN ILE 452 19.307 -2.832 -12.822 50 HA ILE 452 HA ILE 452 19.808 -4.297 -10.528 51 HB ILE 452 HB ILE 452 20.474 -4.757 -12.996 52 HG12 ILE 452 HG12 ILE 452 22.346 -5.430 -10.701 53 HG13 ILE 452 HG11 ILE 452 20.878 -6.311 -11.123 54 HG21 ILE 452 HG21 ILE 452 23.135 -3.687 -12.086 55 HG22 ILE 452 HG22 ILE 452 21.980 -2.616 -12.878 56 HG23 ILE 452 HG23 ILE 452 22.583 -4.041 -13.723 57 HD11 ILE 452 HD11 ILE 452 22.141 -7.572 -12.500 58 HD12 ILE 452 HD12 ILE 452 23.533 -6.512 -12.286 59 HD13 ILE 452 HD13 ILE 452 22.326 -6.146 -13.519 60 H ALA 453 HN ALA 453 20.807 -1.135 -11.238 61 HA ALA 453 HA ALA 453 23.190 -1.201 -9.567 62 HB1 ALA 453 HB1 ALA 453 23.682 0.857 -10.430 63 HB2 ALA 453 HB2 ALA 453 21.998 1.383 -10.416 64 HB3 ALA 453 HB3 ALA 453 22.578 0.317 -11.696 65 H TYR 454 HN TYR 454 19.849 -0.093 -9.404 66 HA TYR 454 HA TYR 454 20.175 0.264 -6.499 67 HB2 TYR 454 HB2 TYR 454 18.587 2.199 -8.187 68 HB3 TYR 454 HB1 TYR 454 19.029 2.351 -6.487 69 HD1 TYR 454 HD1 TYR 454 21.611 2.286 -5.967 70 HD2 TYR 454 HD2 TYR 454 19.929 3.235 -9.805 71 HE1 TYR 454 HE1 TYR 454 23.717 3.426 -6.611 72 HE2 TYR 454 HE2 TYR 454 22.034 4.375 -10.447 73 HH TYR 454 HH TYR 454 23.987 5.539 -9.066 74 H GLY 455 HN GLY 455 17.583 0.693 -8.917 75 HA2 GLY 455 HA2 GLY 455 15.410 -0.096 -7.498 76 HA3 GLY 455 HA1 GLY 455 15.603 -0.483 -9.205 77 H GLY 456 HN GLY 456 18.010 -2.140 -8.610 78 HA2 GLY 456 HA2 GLY 456 16.559 -4.557 -7.749 79 HA3 GLY 456 HA1 GLY 456 18.009 -4.533 -8.747 80 H LEU 457 HN LEU 457 19.846 -3.172 -7.482 81 HA LEU 457 HA LEU 457 20.693 -4.823 -5.370 82 HB2 LEU 457 HB2 LEU 457 22.336 -3.623 -6.639 83 HB3 LEU 457 HB1 LEU 457 21.586 -2.074 -6.260 84 HG LEU 457 HG LEU 457 22.241 -2.235 -3.945 85 HD11 LEU 457 HD11 LEU 457 22.924 -5.079 -4.690 86 HD12 LEU 457 HD12 LEU 457 21.895 -4.506 -3.377 87 HD13 LEU 457 HD13 LEU 457 23.645 -4.307 -3.278 88 HD21 LEU 457 HD21 LEU 457 24.006 -1.480 -5.466 89 HD22 LEU 457 HD22 LEU 457 24.493 -3.150 -5.759 90 HD23 LEU 457 HD23 LEU 457 24.712 -2.436 -4.161 91 H ARG 458 HN ARG 458 19.957 -1.339 -5.113 92 HA ARG 458 HA ARG 458 18.909 -0.126 -3.462 93 HB2 ARG 458 HB2 ARG 458 17.271 -2.172 -3.701 94 HB3 ARG 458 HB1 ARG 458 17.942 -2.633 -2.137 95 HG2 ARG 458 HG2 ARG 458 16.207 -1.283 -1.424 96 HG3 ARG 458 HG1 ARG 458 17.477 -0.068 -1.584 97 HD2 ARG 458 HD2 ARG 458 16.648 0.181 -4.024 98 HD3 ARG 458 HD1 ARG 458 15.207 -0.672 -3.477 99 HE ARG 458 HE ARG 458 14.599 1.224 -2.250 100 HH11 ARG 458 HH21 ARG 458 17.832 1.450 -3.464 101 HH12 ARG 458 HH22 ARG 458 18.012 3.126 -3.066 102 HH21 ARG 458 HH11 ARG 458 14.828 3.422 -1.724 103 HH22 ARG 458 HH12 ARG 458 16.311 4.241 -2.081 104 H GLY 459 HN GLY 459 21.544 -0.513 -3.118 105 HA2 GLY 459 HA2 GLY 459 22.571 -1.803 -0.926 106 HA3 GLY 459 HA1 GLY 459 23.142 -0.229 -1.473 107 H ALA 460 HN ALA 460 20.242 0.713 -0.941 108 HA ALA 460 HA ALA 460 20.681 2.016 1.480 109 HB1 ALA 460 HB1 ALA 460 18.485 1.687 -0.379 110 HB2 ALA 460 HB2 ALA 460 18.858 3.049 0.678 111 HB3 ALA 460 HB3 ALA 460 17.904 1.697 1.286 112 H ILE 461 HN ILE 461 19.845 -1.248 0.899 113 HA ILE 461 HA ILE 461 18.699 -1.655 3.554 114 HB ILE 461 HB ILE 461 19.091 -3.374 1.124 115 HG12 ILE 461 HG12 ILE 461 16.690 -3.668 1.352 116 HG13 ILE 461 HG11 ILE 461 16.702 -2.865 2.923 117 HG21 ILE 461 HG21 ILE 461 19.791 -4.916 2.756 118 HG22 ILE 461 HG22 ILE 461 18.054 -5.202 2.664 119 HG23 ILE 461 HG23 ILE 461 18.720 -4.244 3.985 120 HD11 ILE 461 HD11 ILE 461 15.981 -1.436 0.916 121 HD12 ILE 461 HD12 ILE 461 17.671 -1.486 0.414 122 HD13 ILE 461 HD13 ILE 461 17.230 -0.755 1.957 123 H ALA 462 HN ALA 462 21.610 -2.468 1.714 124 HA ALA 462 HA ALA 462 22.826 -4.100 3.678 125 HB1 ALA 462 HB1 ALA 462 24.722 -2.561 2.093 126 HB2 ALA 462 HB2 ALA 462 23.446 -3.264 1.098 127 HB3 ALA 462 HB3 ALA 462 24.437 -4.301 2.123 128 H PHE 463 HN PHE 463 22.691 -0.628 3.208 129 HA PHE 463 HA PHE 463 24.729 -0.064 5.182 130 HB2 PHE 463 HB2 PHE 463 24.738 1.842 3.998 131 HB3 PHE 463 HB1 PHE 463 23.219 1.419 3.207 132 HD1 PHE 463 HD2 PHE 463 24.689 2.933 6.272 133 HD2 PHE 463 HD1 PHE 463 21.148 2.369 3.908 134 HE1 PHE 463 HE2 PHE 463 23.499 4.614 7.652 135 HE2 PHE 463 HE1 PHE 463 19.958 4.051 5.289 136 HZ PHE 463 HZ PHE 463 21.135 5.172 7.161 137 H SER 464 HN SER 464 21.187 0.291 4.990 138 HA SER 464 HA SER 464 20.667 1.365 7.477 139 HB2 SER 464 HB2 SER 464 18.797 1.128 6.095 140 HB3 SER 464 HB1 SER 464 19.148 -0.561 5.744 141 HG SER 464 HG SER 464 18.533 0.373 8.344 142 H LEU 465 HN LEU 465 21.354 -1.995 6.631 143 HA LEU 465 HA LEU 465 20.816 -3.067 9.222 144 HB2 LEU 465 HB2 LEU 465 21.857 -4.030 6.662 145 HB3 LEU 465 HB1 LEU 465 22.628 -4.792 8.054 146 HG LEU 465 HG LEU 465 20.445 -5.398 8.975 147 HD11 LEU 465 HD11 LEU 465 18.585 -4.983 6.999 148 HD12 LEU 465 HD12 LEU 465 19.547 -3.509 6.897 149 HD13 LEU 465 HD13 LEU 465 18.777 -3.956 8.419 150 HD21 LEU 465 HD21 LEU 465 20.921 -6.116 6.073 151 HD22 LEU 465 HD22 LEU 465 19.651 -6.873 7.036 152 HD23 LEU 465 HD23 LEU 465 21.342 -7.057 7.505 153 H GLY 466 HN GLY 466 23.950 -2.745 7.537 154 HA2 GLY 466 HA2 GLY 466 25.556 -3.122 9.804 155 HA3 GLY 466 HA1 GLY 466 26.066 -2.305 8.329 156 H TYR 467 HN TYR 467 23.422 -0.653 9.272 157 HA TYR 467 HA TYR 467 25.037 1.455 10.490 158 HB2 TYR 467 HB2 TYR 467 23.711 2.440 8.884 159 HB3 TYR 467 HB1 TYR 467 22.379 1.313 9.139 160 HD1 TYR 467 HD2 TYR 467 24.309 3.918 11.036 161 HD2 TYR 467 HD1 TYR 467 20.494 2.097 10.269 162 HE1 TYR 467 HE2 TYR 467 23.223 5.548 12.558 163 HE2 TYR 467 HE1 TYR 467 19.410 3.729 11.789 164 HH TYR 467 HH TYR 467 20.771 6.530 12.752 165 H LEU 468 HN LEU 468 21.866 -0.068 11.150 166 HA LEU 468 HA LEU 468 21.552 0.987 13.732 167 HB2 LEU 468 HB2 LEU 468 20.421 -1.390 12.290 168 HB3 LEU 468 HB1 LEU 468 20.086 -1.166 14.006 169 HG LEU 468 HG LEU 468 19.742 1.253 12.331 170 HD11 LEU 468 HD11 LEU 468 17.536 0.489 11.496 171 HD12 LEU 468 HD12 LEU 468 17.879 -1.128 12.109 172 HD13 LEU 468 HD13 LEU 468 18.860 -0.453 10.808 173 HD21 LEU 468 HD21 LEU 468 19.193 1.121 14.754 174 HD22 LEU 468 HD22 LEU 468 18.012 -0.142 14.403 175 HD23 LEU 468 HD23 LEU 468 17.768 1.491 13.781 176 H LEU 469 HN LEU 469 22.204 -2.462 13.089 177 HA LEU 469 HA LEU 469 22.998 -3.206 15.600 178 HB2 LEU 469 HB2 LEU 469 24.330 -4.994 14.528 179 HB3 LEU 469 HB1 LEU 469 22.740 -4.818 13.788 180 HG LEU 469 HG LEU 469 24.270 -3.058 12.314 181 HD11 LEU 469 HD11 LEU 469 25.932 -5.560 12.647 182 HD12 LEU 469 HD12 LEU 469 26.269 -4.087 13.556 183 HD13 LEU 469 HD13 LEU 469 26.358 -4.077 11.794 184 HD21 LEU 469 HD21 LEU 469 22.638 -4.640 11.411 185 HD22 LEU 469 HD22 LEU 469 23.688 -5.995 11.820 186 HD23 LEU 469 HD23 LEU 469 24.173 -4.849 10.572 187 H ASP 470 HN ASP 470 24.576 -0.980 13.590 188 HA ASP 470 HA ASP 470 27.161 -1.325 14.948 189 HB2 ASP 470 HB2 ASP 470 27.304 -1.092 12.545 190 HB3 ASP 470 HB1 ASP 470 26.328 0.376 12.591 191 H LYS 471 HN LYS 471 24.416 0.834 14.711 192 HA LYS 471 HA LYS 471 25.773 2.846 16.354 193 HB2 LYS 471 HB2 LYS 471 24.234 4.382 15.592 194 HB3 LYS 471 HB1 LYS 471 24.267 3.267 14.231 195 HG2 LYS 471 HG2 LYS 471 21.997 3.388 14.507 196 HG3 LYS 471 HG1 LYS 471 22.310 2.086 15.646 197 HD2 LYS 471 HD2 LYS 471 21.097 3.484 17.025 198 HD3 LYS 471 HD1 LYS 471 22.693 4.174 17.305 199 HE2 LYS 471 HE2 LYS 471 20.464 5.211 15.575 200 HE3 LYS 471 HE1 LYS 471 21.422 6.068 16.783 201 HZ1 LYS 471 HZ1 LYS 471 22.885 4.962 14.528 202 HZ2 LYS 471 HZ2 LYS 471 23.083 6.445 15.334 203 HZ3 LYS 471 HZ3 LYS 471 21.854 6.262 14.175 204 H LYS 472 HN LYS 472 23.406 0.340 16.577 205 HA LYS 472 HA LYS 472 22.191 1.249 19.021 206 HB2 LYS 472 HB2 LYS 472 21.710 -0.784 17.084 207 HB3 LYS 472 HB1 LYS 472 21.884 -1.570 18.651 208 HG2 LYS 472 HG2 LYS 472 19.544 -0.945 18.293 209 HG3 LYS 472 HG1 LYS 472 20.223 0.010 19.610 210 HD2 LYS 472 HD2 LYS 472 20.044 1.961 18.452 211 HD3 LYS 472 HD1 LYS 472 20.523 1.215 16.927 212 HE2 LYS 472 HE2 LYS 472 18.277 0.215 16.708 213 HE3 LYS 472 HE1 LYS 472 17.799 0.954 18.237 214 HZ1 LYS 472 HZ1 LYS 472 17.687 3.004 17.321 215 HZ2 LYS 472 HZ2 LYS 472 17.367 2.108 15.913 216 HZ3 LYS 472 HZ3 LYS 472 18.928 2.714 16.203 217 HN1 NH2 473 H1 NH2 473 22.496 0.215 21.143 218 HN2 NH2 473 H2 NH2 473 23.956 -0.568 21.514 Start of MODEL 15 1 H1 ACE 446 HA2 ACE 446 20.068 1.183 -20.685 2 H2 ACE 446 HA3 ACE 446 19.482 2.783 -21.144 3 H3 ACE 446 HA1 ACE 446 18.872 1.350 -21.970 4 H LYS 447 HN LYS 447 18.643 -0.242 -19.552 5 HA LYS 447 HA LYS 447 16.795 1.164 -17.809 6 HB2 LYS 447 HB2 LYS 447 15.527 0.367 -19.934 7 HB3 LYS 447 HB1 LYS 447 15.727 -1.246 -19.258 8 HG2 LYS 447 HG2 LYS 447 13.625 -0.500 -18.435 9 HG3 LYS 447 HG1 LYS 447 14.743 -0.310 -17.087 10 HD2 LYS 447 HD2 LYS 447 14.832 2.106 -18.615 11 HD3 LYS 447 HD1 LYS 447 13.137 1.696 -18.353 12 HE2 LYS 447 HE2 LYS 447 15.238 1.792 -16.171 13 HE3 LYS 447 HE1 LYS 447 14.082 3.080 -16.508 14 HZ1 LYS 447 HZ1 LYS 447 12.727 0.617 -16.309 15 HZ2 LYS 447 HZ2 LYS 447 12.550 2.011 -15.352 16 HZ3 LYS 447 HZ3 LYS 447 13.697 0.828 -14.933 17 H ASP 448 HN ASP 448 17.239 -2.245 -18.752 18 HA ASP 448 HA ASP 448 17.168 -3.293 -16.170 19 HB2 ASP 448 HB2 ASP 448 18.448 -4.286 -18.712 20 HB3 ASP 448 HB1 ASP 448 18.483 -5.222 -17.219 21 H GLN 449 HN GLN 449 19.538 -1.352 -17.591 22 HA GLN 449 HA GLN 449 21.741 -2.405 -15.988 23 HB2 GLN 449 HB2 GLN 449 21.626 -0.023 -17.854 24 HB3 GLN 449 HB1 GLN 449 23.083 -0.679 -17.108 25 HG2 GLN 449 HG2 GLN 449 22.358 -2.925 -18.203 26 HG3 GLN 449 HG1 GLN 449 21.330 -1.917 -19.221 27 HE21 GLN 449 HE21 GLN 449 24.226 -3.407 -19.367 28 HE22 GLN 449 HE22 GLN 449 25.099 -2.294 -20.306 29 H PHE 450 HN PHE 450 19.266 -0.057 -15.771 30 HA PHE 450 HA PHE 450 20.689 1.577 -13.809 31 HB2 PHE 450 HB2 PHE 450 17.913 1.757 -14.996 32 HB3 PHE 450 HB1 PHE 450 18.528 2.863 -13.767 33 HD1 PHE 450 HD1 PHE 450 19.206 1.534 -17.188 34 HD2 PHE 450 HD2 PHE 450 19.930 4.678 -14.353 35 HE1 PHE 450 HE1 PHE 450 20.344 2.858 -18.949 36 HE2 PHE 450 HE2 PHE 450 21.069 6.003 -16.114 37 HZ PHE 450 HZ PHE 450 21.275 5.093 -18.412 38 H ILE 451 HN ILE 451 17.818 -0.520 -13.970 39 HA ILE 451 HA ILE 451 16.974 -0.332 -11.331 40 HB ILE 451 HB ILE 451 16.921 -2.722 -13.188 41 HG12 ILE 451 HG12 ILE 451 14.510 -1.115 -12.513 42 HG13 ILE 451 HG11 ILE 451 15.708 -0.328 -13.543 43 HG21 ILE 451 HG21 ILE 451 16.483 -3.701 -11.120 44 HG22 ILE 451 HG22 ILE 451 14.864 -3.197 -11.601 45 HG23 ILE 451 HG23 ILE 451 15.786 -2.223 -10.454 46 HD11 ILE 451 HD11 ILE 451 15.494 -1.932 -15.239 47 HD12 ILE 451 HD12 ILE 451 13.835 -1.769 -14.664 48 HD13 ILE 451 HD13 ILE 451 14.817 -3.138 -14.145 49 H ILE 452 HN ILE 452 18.985 -2.977 -12.651 50 HA ILE 452 HA ILE 452 19.681 -4.215 -10.298 51 HB ILE 452 HB ILE 452 21.734 -4.964 -11.458 52 HG12 ILE 452 HG12 ILE 452 20.873 -2.905 -13.516 53 HG13 ILE 452 HG11 ILE 452 22.342 -2.852 -12.539 54 HG21 ILE 452 HG21 ILE 452 19.411 -4.852 -13.396 55 HG22 ILE 452 HG22 ILE 452 19.407 -5.881 -11.962 56 HG23 ILE 452 HG23 ILE 452 20.613 -6.131 -13.224 57 HD11 ILE 452 HD11 ILE 452 22.868 -5.168 -13.575 58 HD12 ILE 452 HD12 ILE 452 23.077 -3.745 -14.597 59 HD13 ILE 452 HD13 ILE 452 21.640 -4.755 -14.772 60 H ALA 453 HN ALA 453 20.723 -1.133 -11.486 61 HA ALA 453 HA ALA 453 23.103 -0.862 -9.957 62 HB1 ALA 453 HB1 ALA 453 23.205 1.241 -10.834 63 HB2 ALA 453 HB2 ALA 453 21.501 1.567 -10.523 64 HB3 ALA 453 HB3 ALA 453 21.972 0.604 -11.922 65 H TYR 454 HN TYR 454 19.721 0.026 -9.351 66 HA TYR 454 HA TYR 454 20.398 0.962 -6.664 67 HB2 TYR 454 HB2 TYR 454 17.842 0.954 -8.273 68 HB3 TYR 454 HB1 TYR 454 17.907 1.450 -6.582 69 HD1 TYR 454 HD1 TYR 454 19.056 2.233 -10.009 70 HD2 TYR 454 HD2 TYR 454 18.956 3.524 -5.913 71 HE1 TYR 454 HE1 TYR 454 19.850 4.480 -10.697 72 HE2 TYR 454 HE2 TYR 454 19.750 5.770 -6.602 73 HH TYR 454 HH TYR 454 19.839 7.173 -8.539 74 H GLY 455 HN GLY 455 19.529 -1.913 -8.195 75 HA2 GLY 455 HA2 GLY 455 19.159 -4.018 -7.312 76 HA3 GLY 455 HA1 GLY 455 19.290 -3.318 -5.702 77 H GLY 456 HN GLY 456 17.063 -3.018 -8.484 78 HA2 GLY 456 HA2 GLY 456 14.774 -3.274 -8.615 79 HA3 GLY 456 HA1 GLY 456 14.829 -4.067 -7.043 80 H LEU 457 HN LEU 457 16.017 -1.966 -5.566 81 HA LEU 457 HA LEU 457 13.922 -0.574 -4.547 82 HB2 LEU 457 HB2 LEU 457 16.053 -0.459 -3.459 83 HB3 LEU 457 HB1 LEU 457 16.798 0.308 -4.858 84 HG LEU 457 HG LEU 457 15.547 2.340 -4.509 85 HD11 LEU 457 HD11 LEU 457 14.008 0.644 -2.543 86 HD12 LEU 457 HD12 LEU 457 13.386 1.619 -3.876 87 HD13 LEU 457 HD13 LEU 457 14.008 2.404 -2.425 88 HD21 LEU 457 HD21 LEU 457 16.396 3.030 -2.362 89 HD22 LEU 457 HD22 LEU 457 17.545 1.870 -3.029 90 HD23 LEU 457 HD23 LEU 457 16.411 1.368 -1.773 91 H ARG 458 HN ARG 458 16.192 0.931 -6.862 92 HA ARG 458 HA ARG 458 15.865 2.500 -8.508 93 HB2 ARG 458 HB2 ARG 458 14.002 0.771 -9.075 94 HB3 ARG 458 HB1 ARG 458 12.907 1.980 -8.402 95 HG2 ARG 458 HG2 ARG 458 12.940 2.692 -10.597 96 HG3 ARG 458 HG1 ARG 458 14.319 3.603 -9.981 97 HD2 ARG 458 HD2 ARG 458 15.723 1.531 -10.642 98 HD3 ARG 458 HD1 ARG 458 14.321 1.060 -11.601 99 HE ARG 458 HE ARG 458 16.145 3.247 -12.159 100 HH11 ARG 458 HH21 ARG 458 13.016 1.850 -12.643 101 HH12 ARG 458 HH22 ARG 458 12.731 2.667 -14.145 102 HH21 ARG 458 HH11 ARG 458 15.779 4.320 -14.127 103 HH22 ARG 458 HH12 ARG 458 14.296 4.065 -14.985 104 H GLY 459 HN GLY 459 16.141 3.523 -6.035 105 HA2 GLY 459 HA2 GLY 459 14.221 5.042 -4.826 106 HA3 GLY 459 HA1 GLY 459 15.893 5.572 -4.986 107 H ALA 460 HN ALA 460 15.625 5.539 -7.973 108 HA ALA 460 HA ALA 460 15.224 8.199 -8.498 109 HB1 ALA 460 HB1 ALA 460 14.272 6.997 -10.800 110 HB2 ALA 460 HB2 ALA 460 15.280 5.743 -10.080 111 HB3 ALA 460 HB3 ALA 460 15.966 7.328 -10.439 112 H ILE 461 HN ILE 461 12.847 5.855 -7.723 113 HA ILE 461 HA ILE 461 10.646 7.421 -8.833 114 HB ILE 461 HB ILE 461 10.886 4.745 -7.497 115 HG12 ILE 461 HG12 ILE 461 9.803 3.995 -9.535 116 HG13 ILE 461 HG11 ILE 461 9.471 5.659 -10.020 117 HG21 ILE 461 HG21 ILE 461 8.296 4.746 -7.763 118 HG22 ILE 461 HG22 ILE 461 8.450 6.502 -7.716 119 HG23 ILE 461 HG23 ILE 461 8.991 5.532 -6.345 120 HD11 ILE 461 HD11 ILE 461 11.752 6.116 -10.439 121 HD12 ILE 461 HD12 ILE 461 11.517 4.494 -11.089 122 HD13 ILE 461 HD13 ILE 461 12.292 4.710 -9.521 123 H ALA 462 HN ALA 462 11.768 6.292 -5.647 124 HA ALA 462 HA ALA 462 9.837 7.550 -4.071 125 HB1 ALA 462 HB1 ALA 462 11.157 6.094 -2.855 126 HB2 ALA 462 HB2 ALA 462 11.870 7.637 -2.386 127 HB3 ALA 462 HB3 ALA 462 12.650 6.643 -3.616 128 H PHE 463 HN PHE 463 12.690 8.835 -5.639 129 HA PHE 463 HA PHE 463 12.505 11.384 -4.241 130 HB2 PHE 463 HB2 PHE 463 14.698 11.330 -4.716 131 HB3 PHE 463 HB1 PHE 463 14.482 10.001 -5.854 132 HD1 PHE 463 HD1 PHE 463 14.292 13.696 -5.478 133 HD2 PHE 463 HD2 PHE 463 14.383 10.382 -8.208 134 HE1 PHE 463 HE1 PHE 463 14.596 15.266 -7.373 135 HE2 PHE 463 HE2 PHE 463 14.686 11.952 -10.105 136 HZ PHE 463 HZ PHE 463 14.793 14.395 -9.687 137 H SER 464 HN SER 464 12.104 10.160 -7.561 138 HA SER 464 HA SER 464 11.433 12.532 -8.839 139 HB2 SER 464 HB2 SER 464 11.762 10.535 -10.132 140 HB3 SER 464 HB1 SER 464 10.442 9.712 -9.305 141 HG SER 464 HG SER 464 10.396 11.507 -11.379 142 H LEU 465 HN LEU 465 9.435 10.406 -6.856 143 HA LEU 465 HA LEU 465 7.075 12.059 -7.337 144 HB2 LEU 465 HB2 LEU 465 6.177 9.999 -7.185 145 HB3 LEU 465 HB1 LEU 465 7.605 9.333 -6.411 146 HG LEU 465 HG LEU 465 5.571 11.025 -4.916 147 HD11 LEU 465 HD11 LEU 465 5.611 8.098 -5.572 148 HD12 LEU 465 HD12 LEU 465 4.248 9.218 -5.543 149 HD13 LEU 465 HD13 LEU 465 4.947 8.639 -4.030 150 HD21 LEU 465 HD21 LEU 465 6.925 8.998 -3.381 151 HD22 LEU 465 HD22 LEU 465 6.996 10.748 -3.177 152 HD23 LEU 465 HD23 LEU 465 8.133 9.939 -4.255 153 H GLY 466 HN GLY 466 9.588 11.596 -5.002 154 HA2 GLY 466 HA2 GLY 466 8.155 13.067 -2.917 155 HA3 GLY 466 HA1 GLY 466 9.751 12.335 -2.770 156 H TYR 467 HN TYR 467 9.763 13.897 -5.655 157 HA TYR 467 HA TYR 467 11.259 16.147 -4.544 158 HB2 TYR 467 HB2 TYR 467 12.479 15.341 -6.315 159 HB3 TYR 467 HB1 TYR 467 11.047 14.821 -7.203 160 HD1 TYR 467 HD1 TYR 467 12.859 17.888 -6.061 161 HD2 TYR 467 HD2 TYR 467 10.152 16.165 -8.916 162 HE1 TYR 467 HE1 TYR 467 12.907 19.990 -7.376 163 HE2 TYR 467 HE2 TYR 467 10.200 18.267 -10.230 164 HH TYR 467 HH TYR 467 12.443 20.844 -9.491 165 H LEU 468 HN LEU 468 8.339 15.501 -6.417 166 HA LEU 468 HA LEU 468 7.745 18.184 -7.096 167 HB2 LEU 468 HB2 LEU 468 5.854 15.852 -6.705 168 HB3 LEU 468 HB1 LEU 468 5.483 17.354 -7.553 169 HG LEU 468 HG LEU 468 7.895 15.812 -8.420 170 HD11 LEU 468 HD11 LEU 468 5.028 15.062 -9.042 171 HD12 LEU 468 HD12 LEU 468 6.246 14.048 -8.267 172 HD13 LEU 468 HD13 LEU 468 6.419 14.495 -9.965 173 HD21 LEU 468 HD21 LEU 468 7.570 16.951 -10.415 174 HD22 LEU 468 HD22 LEU 468 6.878 18.110 -9.279 175 HD23 LEU 468 HD23 LEU 468 5.822 17.039 -10.200 176 H LEU 469 HN LEU 469 5.714 16.259 -4.918 177 HA LEU 469 HA LEU 469 4.502 18.312 -3.571 178 HB2 LEU 469 HB2 LEU 469 4.151 16.730 -1.711 179 HB3 LEU 469 HB1 LEU 469 3.871 15.961 -3.274 180 HG LEU 469 HG LEU 469 6.576 15.556 -2.882 181 HD11 LEU 469 HD11 LEU 469 5.209 14.964 -0.249 182 HD12 LEU 469 HD12 LEU 469 6.157 16.429 -0.512 183 HD13 LEU 469 HD13 LEU 469 6.928 14.846 -0.631 184 HD21 LEU 469 HD21 LEU 469 4.993 13.896 -3.728 185 HD22 LEU 469 HD22 LEU 469 4.222 13.786 -2.146 186 HD23 LEU 469 HD23 LEU 469 5.875 13.211 -2.362 187 H ASP 470 HN ASP 470 7.793 17.409 -3.413 188 HA ASP 470 HA ASP 470 8.320 18.522 -0.798 189 HB2 ASP 470 HB2 ASP 470 9.880 16.893 -1.321 190 HB3 ASP 470 HB1 ASP 470 9.974 17.377 -3.014 191 H LYS 471 HN LYS 471 8.626 19.555 -4.162 192 HA LYS 471 HA LYS 471 9.545 22.208 -3.257 193 HB2 LYS 471 HB2 LYS 471 9.573 20.903 -5.988 194 HB3 LYS 471 HB1 LYS 471 10.085 22.562 -5.671 195 HG2 LYS 471 HG2 LYS 471 11.350 20.799 -3.777 196 HG3 LYS 471 HG1 LYS 471 11.634 20.202 -5.411 197 HD2 LYS 471 HD2 LYS 471 12.416 22.450 -6.091 198 HD3 LYS 471 HD1 LYS 471 12.159 23.029 -4.444 199 HE2 LYS 471 HE2 LYS 471 14.398 22.480 -4.302 200 HE3 LYS 471 HE1 LYS 471 13.692 20.925 -3.858 201 HZ1 LYS 471 HZ1 LYS 471 13.957 21.314 -6.696 202 HZ2 LYS 471 HZ2 LYS 471 14.401 19.985 -5.736 203 HZ3 LYS 471 HZ3 LYS 471 15.441 21.322 -5.877 204 H LYS 472 HN LYS 472 7.182 20.661 -5.426 205 HA LYS 472 HA LYS 472 5.782 23.086 -6.002 206 HB2 LYS 472 HB2 LYS 472 5.015 20.177 -6.316 207 HB3 LYS 472 HB1 LYS 472 4.023 21.521 -6.883 208 HG2 LYS 472 HG2 LYS 472 6.820 21.762 -7.713 209 HG3 LYS 472 HG1 LYS 472 6.052 20.297 -8.327 210 HD2 LYS 472 HD2 LYS 472 4.215 21.612 -9.263 211 HD3 LYS 472 HD1 LYS 472 4.897 23.089 -8.583 212 HE2 LYS 472 HE2 LYS 472 6.341 21.312 -10.569 213 HE3 LYS 472 HE1 LYS 472 5.446 22.766 -11.011 214 HZ1 LYS 472 HZ1 LYS 472 7.880 23.088 -10.672 215 HZ2 LYS 472 HZ2 LYS 472 7.645 22.744 -9.025 216 HZ3 LYS 472 HZ3 LYS 472 6.898 24.098 -9.727 217 HN1 NH2 473 H1 NH2 473 6.006 23.057 -3.212 218 HN2 NH2 473 H2 NH2 473 4.476 22.792 -2.524 Start of MODEL 16 1 H1 ACE 446 HA2 ACE 446 20.098 0.184 -21.031 2 H2 ACE 446 HA3 ACE 446 20.090 1.900 -21.439 3 H3 ACE 446 HA1 ACE 446 19.046 0.781 -22.314 4 H LYS 447 HN LYS 447 18.480 -0.657 -19.727 5 HA LYS 447 HA LYS 447 16.968 1.312 -18.191 6 HB2 LYS 447 HB2 LYS 447 15.534 0.535 -20.159 7 HB3 LYS 447 HB1 LYS 447 15.517 -1.050 -19.382 8 HG2 LYS 447 HG2 LYS 447 14.772 0.247 -17.255 9 HG3 LYS 447 HG1 LYS 447 14.374 1.551 -18.376 10 HD2 LYS 447 HD2 LYS 447 12.370 0.463 -18.513 11 HD3 LYS 447 HD1 LYS 447 13.238 -0.557 -19.661 12 HE2 LYS 447 HE2 LYS 447 12.295 -2.116 -18.170 13 HE3 LYS 447 HE1 LYS 447 13.943 -1.930 -17.567 14 HZ1 LYS 447 HZ1 LYS 447 13.099 -0.252 -16.003 15 HZ2 LYS 447 HZ2 LYS 447 12.403 -1.781 -15.751 16 HZ3 LYS 447 HZ3 LYS 447 11.519 -0.561 -16.535 17 H ASP 448 HN ASP 448 17.921 -2.043 -18.725 18 HA ASP 448 HA ASP 448 17.196 -2.919 -16.084 19 HB2 ASP 448 HB2 ASP 448 18.585 -4.098 -18.441 20 HB3 ASP 448 HB1 ASP 448 18.875 -4.835 -16.866 21 H GLN 449 HN GLN 449 20.082 -1.654 -17.628 22 HA GLN 449 HA GLN 449 21.961 -2.367 -15.646 23 HB2 GLN 449 HB2 GLN 449 21.878 -0.129 -17.669 24 HB3 GLN 449 HB1 GLN 449 23.246 -0.373 -16.583 25 HG2 GLN 449 HG2 GLN 449 22.368 -2.839 -17.911 26 HG3 GLN 449 HG1 GLN 449 22.925 -1.602 -19.037 27 HE21 GLN 449 HE21 GLN 449 25.027 -2.344 -19.537 28 HE22 GLN 449 HE22 GLN 449 26.227 -2.634 -18.371 29 H PHE 450 HN PHE 450 19.441 -0.045 -15.677 30 HA PHE 450 HA PHE 450 20.619 1.568 -13.545 31 HB2 PHE 450 HB2 PHE 450 17.915 1.766 -14.891 32 HB3 PHE 450 HB1 PHE 450 18.597 2.938 -13.764 33 HD1 PHE 450 HD1 PHE 450 19.046 1.359 -17.098 34 HD2 PHE 450 HD2 PHE 450 20.226 4.542 -14.465 35 HE1 PHE 450 HE1 PHE 450 20.244 2.463 -18.969 36 HE2 PHE 450 HE2 PHE 450 21.423 5.645 -16.336 37 HZ PHE 450 HZ PHE 450 21.432 4.606 -18.588 38 H ILE 451 HN ILE 451 18.238 -0.946 -14.021 39 HA ILE 451 HA ILE 451 16.951 -0.676 -11.483 40 HB ILE 451 HB ILE 451 17.048 -2.834 -13.577 41 HG12 ILE 451 HG12 ILE 451 14.595 -1.531 -12.445 42 HG13 ILE 451 HG11 ILE 451 15.614 -0.602 -13.547 43 HG21 ILE 451 HG21 ILE 451 16.024 -2.966 -10.756 44 HG22 ILE 451 HG22 ILE 451 16.864 -4.201 -11.692 45 HG23 ILE 451 HG23 ILE 451 15.173 -3.835 -12.032 46 HD11 ILE 451 HD11 ILE 451 15.170 -1.981 -15.347 47 HD12 ILE 451 HD12 ILE 451 13.651 -2.150 -14.466 48 HD13 ILE 451 HD13 ILE 451 14.893 -3.394 -14.329 49 H ILE 452 HN ILE 452 19.206 -3.161 -12.716 50 HA ILE 452 HA ILE 452 19.668 -4.433 -10.269 51 HB ILE 452 HB ILE 452 21.697 -5.332 -11.316 52 HG12 ILE 452 HG12 ILE 452 21.712 -4.297 -13.886 53 HG13 ILE 452 HG11 ILE 452 21.418 -2.870 -12.891 54 HG21 ILE 452 HG21 ILE 452 20.595 -6.525 -13.005 55 HG22 ILE 452 HG22 ILE 452 19.662 -5.121 -13.521 56 HG23 ILE 452 HG23 ILE 452 19.251 -5.949 -12.019 57 HD11 ILE 452 HD11 ILE 452 23.835 -3.241 -13.183 58 HD12 ILE 452 HD12 ILE 452 23.674 -4.860 -12.500 59 HD13 ILE 452 HD13 ILE 452 23.374 -3.443 -11.493 60 H ALA 453 HN ALA 453 21.009 -1.502 -11.618 61 HA ALA 453 HA ALA 453 23.189 -1.298 -9.756 62 HB1 ALA 453 HB1 ALA 453 23.431 -0.164 -11.849 63 HB2 ALA 453 HB2 ALA 453 23.272 1.083 -10.611 64 HB3 ALA 453 HB3 ALA 453 21.895 0.680 -11.638 65 H TYR 454 HN TYR 454 19.828 -0.636 -9.657 66 HA TYR 454 HA TYR 454 20.051 1.295 -7.477 67 HB2 TYR 454 HB2 TYR 454 17.999 0.485 -9.378 68 HB3 TYR 454 HB1 TYR 454 17.377 0.576 -7.731 69 HD1 TYR 454 HD2 TYR 454 19.877 2.510 -9.763 70 HD2 TYR 454 HD1 TYR 454 16.410 2.639 -7.226 71 HE1 TYR 454 HE2 TYR 454 19.858 4.985 -9.913 72 HE2 TYR 454 HE1 TYR 454 16.392 5.113 -7.378 73 HH TYR 454 HH TYR 454 17.421 6.840 -9.354 74 H GLY 455 HN GLY 455 19.052 -2.045 -8.039 75 HA2 GLY 455 HA2 GLY 455 19.587 -3.641 -6.230 76 HA3 GLY 455 HA1 GLY 455 18.950 -2.449 -5.104 77 H GLY 456 HN GLY 456 17.409 -2.966 -8.180 78 HA2 GLY 456 HA2 GLY 456 15.195 -3.495 -8.623 79 HA3 GLY 456 HA1 GLY 456 15.652 -5.002 -7.834 80 H LEU 457 HN LEU 457 15.534 -1.866 -6.240 81 HA LEU 457 HA LEU 457 13.744 -2.925 -4.225 82 HB2 LEU 457 HB2 LEU 457 13.982 -0.589 -3.265 83 HB3 LEU 457 HB1 LEU 457 15.483 -1.503 -3.420 84 HG LEU 457 HG LEU 457 14.932 -0.060 -5.869 85 HD11 LEU 457 HD11 LEU 457 13.735 1.545 -4.513 86 HD12 LEU 457 HD12 LEU 457 15.322 2.226 -4.875 87 HD13 LEU 457 HD13 LEU 457 15.003 1.526 -3.287 88 HD21 LEU 457 HD21 LEU 457 17.130 -0.935 -5.183 89 HD22 LEU 457 HD22 LEU 457 17.127 0.132 -3.777 90 HD23 LEU 457 HD23 LEU 457 17.208 0.814 -5.401 91 H ARG 458 HN ARG 458 13.582 -0.678 -6.927 92 HA ARG 458 HA ARG 458 11.833 0.584 -7.769 93 HB2 ARG 458 HB2 ARG 458 11.244 -2.181 -7.780 94 HB3 ARG 458 HB1 ARG 458 9.752 -1.352 -7.336 95 HG2 ARG 458 HG2 ARG 458 9.850 -1.500 -9.756 96 HG3 ARG 458 HG1 ARG 458 10.094 0.184 -9.291 97 HD2 ARG 458 HD2 ARG 458 12.652 -1.021 -9.273 98 HD3 ARG 458 HD1 ARG 458 11.864 -1.563 -10.753 99 HE ARG 458 HE ARG 458 11.360 1.102 -10.759 100 HH11 ARG 458 HH21 ARG 458 14.208 -0.801 -10.264 101 HH12 ARG 458 HH22 ARG 458 15.284 0.388 -10.919 102 HH21 ARG 458 HH11 ARG 458 12.765 2.666 -11.620 103 HH22 ARG 458 HH12 ARG 458 14.467 2.351 -11.687 104 H GLY 459 HN GLY 459 12.226 0.565 -4.742 105 HA2 GLY 459 HA2 GLY 459 9.486 1.279 -3.907 106 HA3 GLY 459 HA1 GLY 459 10.810 0.881 -2.818 107 H ALA 460 HN ALA 460 11.632 2.872 -5.477 108 HA ALA 460 HA ALA 460 11.407 5.315 -3.832 109 HB1 ALA 460 HB1 ALA 460 13.830 4.177 -5.189 110 HB2 ALA 460 HB2 ALA 460 13.680 4.867 -3.572 111 HB3 ALA 460 HB3 ALA 460 13.669 5.921 -4.987 112 H ILE 461 HN ILE 461 11.478 3.806 -6.981 113 HA ILE 461 HA ILE 461 11.114 6.325 -8.382 114 HB ILE 461 HB ILE 461 11.194 3.440 -9.264 115 HG12 ILE 461 HG12 ILE 461 13.207 4.239 -10.466 116 HG13 ILE 461 HG11 ILE 461 12.947 5.858 -9.816 117 HG21 ILE 461 HG21 ILE 461 11.242 4.751 -11.590 118 HG22 ILE 461 HG22 ILE 461 10.254 5.895 -10.679 119 HG23 ILE 461 HG23 ILE 461 9.725 4.222 -10.862 120 HD11 ILE 461 HD11 ILE 461 13.118 3.534 -7.925 121 HD12 ILE 461 HD12 ILE 461 13.522 5.228 -7.649 122 HD13 ILE 461 HD13 ILE 461 14.602 4.207 -8.598 123 H ALA 462 HN ALA 462 9.204 3.391 -7.733 124 HA ALA 462 HA ALA 462 6.861 3.977 -9.034 125 HB1 ALA 462 HB1 ALA 462 7.393 2.613 -6.407 126 HB2 ALA 462 HB2 ALA 462 6.935 1.897 -7.952 127 HB3 ALA 462 HB3 ALA 462 5.748 2.801 -7.014 128 H PHE 463 HN PHE 463 8.148 5.465 -6.149 129 HA PHE 463 HA PHE 463 5.660 6.903 -5.616 130 HB2 PHE 463 HB2 PHE 463 6.490 6.660 -3.536 131 HB3 PHE 463 HB1 PHE 463 8.103 6.278 -4.141 132 HD1 PHE 463 HD1 PHE 463 5.797 9.012 -3.198 133 HD2 PHE 463 HD2 PHE 463 9.783 7.992 -4.429 134 HE1 PHE 463 HE1 PHE 463 6.565 11.294 -2.603 135 HE2 PHE 463 HE2 PHE 463 10.551 10.274 -3.835 136 HZ PHE 463 HZ PHE 463 8.943 11.924 -2.921 137 H SER 464 HN SER 464 8.911 7.479 -6.851 138 HA SER 464 HA SER 464 8.907 10.276 -6.889 139 HB2 SER 464 HB2 SER 464 10.170 8.409 -8.908 140 HB3 SER 464 HB1 SER 464 10.613 10.090 -8.628 141 HG SER 464 HG SER 464 10.647 8.927 -6.285 142 H LEU 465 HN LEU 465 7.638 7.943 -9.239 143 HA LEU 465 HA LEU 465 6.751 10.068 -11.017 144 HB2 LEU 465 HB2 LEU 465 6.023 8.300 -12.481 145 HB3 LEU 465 HB1 LEU 465 7.617 7.868 -11.862 146 HG LEU 465 HG LEU 465 5.943 6.792 -9.953 147 HD11 LEU 465 HD11 LEU 465 4.104 5.728 -11.012 148 HD12 LEU 465 HD12 LEU 465 4.706 6.113 -12.625 149 HD13 LEU 465 HD13 LEU 465 4.050 7.389 -11.600 150 HD21 LEU 465 HD21 LEU 465 7.815 5.581 -10.792 151 HD22 LEU 465 HD22 LEU 465 7.205 5.634 -12.446 152 HD23 LEU 465 HD23 LEU 465 6.408 4.619 -11.244 153 H GLY 466 HN GLY 466 5.494 8.146 -8.434 154 HA2 GLY 466 HA2 GLY 466 2.709 8.711 -9.114 155 HA3 GLY 466 HA1 GLY 466 3.279 7.746 -7.754 156 H TYR 467 HN TYR 467 5.136 10.463 -7.792 157 HA TYR 467 HA TYR 467 3.585 11.667 -5.624 158 HB2 TYR 467 HB2 TYR 467 5.789 11.523 -4.939 159 HB3 TYR 467 HB1 TYR 467 6.423 11.823 -6.558 160 HD1 TYR 467 HD1 TYR 467 4.690 13.433 -3.677 161 HD2 TYR 467 HD2 TYR 467 6.947 14.023 -7.282 162 HE1 TYR 467 HE1 TYR 467 4.915 15.844 -3.141 163 HE2 TYR 467 HE2 TYR 467 7.169 16.435 -6.750 164 HH TYR 467 HH TYR 467 6.193 17.729 -3.658 165 H LEU 468 HN LEU 468 4.851 12.460 -8.827 166 HA LEU 468 HA LEU 468 4.196 15.203 -8.828 167 HB2 LEU 468 HB2 LEU 468 4.306 13.295 -11.177 168 HB3 LEU 468 HB1 LEU 468 4.377 15.054 -11.265 169 HG LEU 468 HG LEU 468 6.352 13.644 -9.509 170 HD11 LEU 468 HD11 LEU 468 6.490 12.340 -11.546 171 HD12 LEU 468 HD12 LEU 468 7.868 13.439 -11.496 172 HD13 LEU 468 HD13 LEU 468 6.487 13.803 -12.531 173 HD21 LEU 468 HD21 LEU 468 7.756 15.535 -10.226 174 HD22 LEU 468 HD22 LEU 468 6.213 16.118 -9.602 175 HD23 LEU 468 HD23 LEU 468 6.496 16.060 -11.341 176 H LEU 469 HN LEU 469 2.546 12.893 -10.948 177 HA LEU 469 HA LEU 469 0.243 14.276 -11.395 178 HB2 LEU 469 HB2 LEU 469 -0.872 12.104 -11.777 179 HB3 LEU 469 HB1 LEU 469 0.737 12.147 -12.496 180 HG LEU 469 HG LEU 469 1.248 11.231 -9.940 181 HD11 LEU 469 HD11 LEU 469 -1.225 9.797 -10.938 182 HD12 LEU 469 HD12 LEU 469 -1.270 11.025 -9.674 183 HD13 LEU 469 HD13 LEU 469 -0.370 9.530 -9.419 184 HD21 LEU 469 HD21 LEU 469 0.702 9.709 -12.507 185 HD22 LEU 469 HD22 LEU 469 1.482 9.002 -11.092 186 HD23 LEU 469 HD23 LEU 469 2.258 10.330 -11.955 187 H ASP 470 HN ASP 470 1.240 12.837 -8.441 188 HA ASP 470 HA ASP 470 -1.348 12.608 -7.230 189 HB2 ASP 470 HB2 ASP 470 1.452 12.236 -6.435 190 HB3 ASP 470 HB1 ASP 470 0.421 12.851 -5.144 191 H LYS 471 HN LYS 471 1.257 15.021 -7.122 192 HA LYS 471 HA LYS 471 -0.446 16.815 -5.548 193 HB2 LYS 471 HB2 LYS 471 2.461 16.894 -6.360 194 HB3 LYS 471 HB1 LYS 471 1.653 18.263 -5.596 195 HG2 LYS 471 HG2 LYS 471 1.190 15.681 -4.250 196 HG3 LYS 471 HG1 LYS 471 2.868 16.223 -4.225 197 HD2 LYS 471 HD2 LYS 471 2.290 18.287 -3.172 198 HD3 LYS 471 HD1 LYS 471 0.570 18.040 -3.475 199 HE2 LYS 471 HE2 LYS 471 2.215 16.169 -1.757 200 HE3 LYS 471 HE1 LYS 471 1.339 17.549 -1.097 201 HZ1 LYS 471 HZ1 LYS 471 -0.094 15.710 -0.920 202 HZ2 LYS 471 HZ2 LYS 471 0.228 15.193 -2.506 203 HZ3 LYS 471 HZ3 LYS 471 -0.674 16.607 -2.238 204 H LYS 472 HN LYS 472 1.371 16.800 -8.613 205 HA LYS 472 HA LYS 472 0.395 19.325 -9.496 206 HB2 LYS 472 HB2 LYS 472 1.930 17.074 -10.675 207 HB3 LYS 472 HB1 LYS 472 1.081 18.127 -11.807 208 HG2 LYS 472 HG2 LYS 472 2.737 19.320 -9.595 209 HG3 LYS 472 HG1 LYS 472 3.516 18.753 -11.073 210 HD2 LYS 472 HD2 LYS 472 1.096 20.441 -11.435 211 HD3 LYS 472 HD1 LYS 472 2.528 21.257 -10.806 212 HE2 LYS 472 HE2 LYS 472 2.279 21.172 -13.364 213 HE3 LYS 472 HE1 LYS 472 3.832 20.665 -12.700 214 HZ1 LYS 472 HZ1 LYS 472 3.248 19.014 -14.225 215 HZ2 LYS 472 HZ2 LYS 472 1.631 18.968 -13.707 216 HZ3 LYS 472 HZ3 LYS 472 2.861 18.345 -12.715 217 HN1 NH2 473 H1 NH2 473 -1.379 16.576 -8.986 218 HN2 NH2 473 H2 NH2 473 -2.565 16.782 -10.183 Start of MODEL 17 1 H1 ACE 446 HA2 ACE 446 19.945 1.647 -20.665 2 H2 ACE 446 HA3 ACE 446 20.938 1.199 -19.279 3 H3 ACE 446 HA1 ACE 446 20.544 2.893 -19.571 4 H LYS 447 HN LYS 447 18.310 0.182 -19.890 5 HA LYS 447 HA LYS 447 16.632 1.392 -17.789 6 HB2 LYS 447 HB2 LYS 447 15.861 0.855 -20.256 7 HB3 LYS 447 HB1 LYS 447 15.657 -0.773 -19.607 8 HG2 LYS 447 HG2 LYS 447 14.420 0.473 -17.647 9 HG3 LYS 447 HG1 LYS 447 14.239 1.760 -18.840 10 HD2 LYS 447 HD2 LYS 447 12.335 0.549 -19.320 11 HD3 LYS 447 HD1 LYS 447 13.473 -0.285 -20.380 12 HE2 LYS 447 HE2 LYS 447 13.890 -1.948 -18.576 13 HE3 LYS 447 HE1 LYS 447 12.678 -1.141 -17.581 14 HZ1 LYS 447 HZ1 LYS 447 11.897 -1.909 -20.285 15 HZ2 LYS 447 HZ2 LYS 447 10.986 -1.898 -18.852 16 HZ3 LYS 447 HZ3 LYS 447 12.084 -3.159 -19.154 17 H ASP 448 HN ASP 448 17.944 -1.712 -18.902 18 HA ASP 448 HA ASP 448 17.002 -3.069 -16.501 19 HB2 ASP 448 HB2 ASP 448 18.276 -3.886 -19.070 20 HB3 ASP 448 HB1 ASP 448 18.500 -4.934 -17.671 21 H GLN 449 HN GLN 449 19.811 -1.434 -17.614 22 HA GLN 449 HA GLN 449 21.579 -2.745 -15.688 23 HB2 GLN 449 HB2 GLN 449 21.910 -1.148 -18.101 24 HB3 GLN 449 HB1 GLN 449 22.942 -0.585 -16.787 25 HG2 GLN 449 HG2 GLN 449 22.732 -3.496 -17.585 26 HG3 GLN 449 HG1 GLN 449 23.951 -2.405 -18.244 27 HE21 GLN 449 HE21 GLN 449 23.272 -4.511 -15.636 28 HE22 GLN 449 HE22 GLN 449 24.536 -4.022 -14.612 29 H PHE 450 HN PHE 450 19.346 -0.271 -15.669 30 HA PHE 450 HA PHE 450 20.795 1.433 -13.789 31 HB2 PHE 450 HB2 PHE 450 19.494 2.999 -14.721 32 HB3 PHE 450 HB1 PHE 450 18.583 1.770 -15.597 33 HD1 PHE 450 HD1 PHE 450 18.906 3.342 -12.214 34 HD2 PHE 450 HD2 PHE 450 16.358 1.304 -15.008 35 HE1 PHE 450 HE1 PHE 450 16.967 3.704 -10.710 36 HE2 PHE 450 HE2 PHE 450 14.419 1.666 -13.505 37 HZ PHE 450 HZ PHE 450 14.724 2.867 -11.357 38 H ILE 451 HN ILE 451 18.136 -0.878 -13.864 39 HA ILE 451 HA ILE 451 17.203 -0.441 -11.219 40 HB ILE 451 HB ILE 451 17.017 -2.786 -13.111 41 HG12 ILE 451 HG12 ILE 451 14.851 -0.989 -11.994 42 HG13 ILE 451 HG11 ILE 451 15.737 -0.595 -13.468 43 HG21 ILE 451 HG21 ILE 451 15.143 -3.381 -11.303 44 HG22 ILE 451 HG22 ILE 451 16.264 -2.547 -10.228 45 HG23 ILE 451 HG23 ILE 451 16.800 -3.961 -11.132 46 HD11 ILE 451 HD11 ILE 451 14.827 -2.372 -14.656 47 HD12 ILE 451 HD12 ILE 451 13.476 -1.963 -13.599 48 HD13 ILE 451 HD13 ILE 451 14.526 -3.323 -13.201 49 H ILE 452 HN ILE 452 19.337 -2.959 -12.569 50 HA ILE 452 HA ILE 452 19.986 -4.278 -10.214 51 HB ILE 452 HB ILE 452 21.363 -3.873 -12.838 52 HG12 ILE 452 HG12 ILE 452 21.165 -6.330 -12.881 53 HG13 ILE 452 HG11 ILE 452 20.533 -6.313 -11.234 54 HG21 ILE 452 HG21 ILE 452 22.638 -4.945 -10.319 55 HG22 ILE 452 HG22 ILE 452 23.298 -3.786 -11.473 56 HG23 ILE 452 HG23 ILE 452 23.153 -5.485 -11.916 57 HD11 ILE 452 HD11 ILE 452 19.184 -4.618 -13.303 58 HD12 ILE 452 HD12 ILE 452 18.501 -5.396 -11.876 59 HD13 ILE 452 HD13 ILE 452 18.881 -6.356 -13.305 60 H ALA 453 HN ALA 453 21.052 -1.188 -11.413 61 HA ALA 453 HA ALA 453 23.344 -0.912 -9.735 62 HB1 ALA 453 HB1 ALA 453 22.675 0.426 -11.865 63 HB2 ALA 453 HB2 ALA 453 23.484 1.275 -10.547 64 HB3 ALA 453 HB3 ALA 453 21.737 1.417 -10.746 65 H TYR 454 HN TYR 454 19.931 -0.022 -9.420 66 HA TYR 454 HA TYR 454 20.395 0.429 -6.544 67 HB2 TYR 454 HB2 TYR 454 18.626 2.201 -8.234 68 HB3 TYR 454 HB1 TYR 454 19.059 2.422 -6.540 69 HD1 TYR 454 HD1 TYR 454 21.749 2.302 -6.144 70 HD2 TYR 454 HD2 TYR 454 19.786 3.529 -9.762 71 HE1 TYR 454 HE1 TYR 454 23.776 3.566 -6.816 72 HE2 TYR 454 HE2 TYR 454 21.811 4.793 -10.433 73 HH TYR 454 HH TYR 454 24.811 4.546 -8.630 74 H GLY 455 HN GLY 455 17.644 0.593 -8.817 75 HA2 GLY 455 HA2 GLY 455 15.629 -0.292 -7.211 76 HA3 GLY 455 HA1 GLY 455 15.712 -0.680 -8.927 77 H GLY 456 HN GLY 456 18.376 -2.088 -8.163 78 HA2 GLY 456 HA2 GLY 456 17.108 -4.639 -7.371 79 HA3 GLY 456 HA1 GLY 456 18.550 -4.501 -8.372 80 H LEU 457 HN LEU 457 20.423 -3.323 -7.268 81 HA LEU 457 HA LEU 457 21.245 -4.753 -5.010 82 HB2 LEU 457 HB2 LEU 457 22.904 -3.721 -6.390 83 HB3 LEU 457 HB1 LEU 457 22.188 -2.126 -6.175 84 HG LEU 457 HG LEU 457 22.848 -2.055 -3.855 85 HD11 LEU 457 HD11 LEU 457 24.240 -4.079 -3.001 86 HD12 LEU 457 HD12 LEU 457 23.468 -4.974 -4.310 87 HD13 LEU 457 HD13 LEU 457 22.485 -4.243 -3.041 88 HD21 LEU 457 HD21 LEU 457 25.114 -3.224 -5.501 89 HD22 LEU 457 HD22 LEU 457 25.289 -2.224 -4.058 90 HD23 LEU 457 HD23 LEU 457 24.603 -1.535 -5.530 91 H ARG 458 HN ARG 458 20.783 -1.226 -4.989 92 HA ARG 458 HA ARG 458 20.614 -0.774 -2.318 93 HB2 ARG 458 HB2 ARG 458 20.521 1.105 -3.742 94 HB3 ARG 458 HB1 ARG 458 19.102 0.509 -4.592 95 HG2 ARG 458 HG2 ARG 458 18.949 1.019 -1.631 96 HG3 ARG 458 HG1 ARG 458 18.865 2.383 -2.737 97 HD2 ARG 458 HD2 ARG 458 16.707 1.936 -3.189 98 HD3 ARG 458 HD1 ARG 458 17.090 0.285 -3.660 99 HE ARG 458 HE ARG 458 17.102 0.554 -0.822 100 HH11 ARG 458 HH21 ARG 458 15.039 0.400 -3.595 101 HH12 ARG 458 HH22 ARG 458 13.712 -0.312 -2.739 102 HH21 ARG 458 HH11 ARG 458 15.373 -0.390 0.304 103 HH22 ARG 458 HH12 ARG 458 13.901 -0.759 -0.531 104 H GLY 459 HN GLY 459 18.348 -2.489 -4.264 105 HA2 GLY 459 HA2 GLY 459 16.067 -2.264 -2.564 106 HA3 GLY 459 HA1 GLY 459 16.311 -3.469 -3.822 107 H ALA 460 HN ALA 460 18.249 -2.798 -0.923 108 HA ALA 460 HA ALA 460 17.314 -5.157 0.447 109 HB1 ALA 460 HB1 ALA 460 19.529 -5.386 -1.361 110 HB2 ALA 460 HB2 ALA 460 18.794 -6.631 -0.350 111 HB3 ALA 460 HB3 ALA 460 20.097 -5.629 0.290 112 H ILE 461 HN ILE 461 19.536 -2.463 0.185 113 HA ILE 461 HA ILE 461 20.606 -2.634 2.815 114 HB ILE 461 HB ILE 461 20.436 -0.434 0.768 115 HG12 ILE 461 HG12 ILE 461 22.892 -0.756 0.767 116 HG13 ILE 461 HG11 ILE 461 22.723 -1.999 2.008 117 HG21 ILE 461 HG21 ILE 461 21.282 -0.322 3.648 118 HG22 ILE 461 HG22 ILE 461 20.384 0.868 2.705 119 HG23 ILE 461 HG23 ILE 461 22.119 0.672 2.456 120 HD11 ILE 461 HD11 ILE 461 21.665 -3.498 0.550 121 HD12 ILE 461 HD12 ILE 461 22.867 -2.737 -0.493 122 HD13 ILE 461 HD13 ILE 461 21.182 -2.219 -0.567 123 H ALA 462 HN ALA 462 17.948 -0.744 1.396 124 HA ALA 462 HA ALA 462 17.253 0.586 3.815 125 HB1 ALA 462 HB1 ALA 462 15.848 1.711 2.475 126 HB2 ALA 462 HB2 ALA 462 15.033 0.229 1.972 127 HB3 ALA 462 HB3 ALA 462 16.498 0.758 1.142 128 H PHE 463 HN PHE 463 16.340 -2.474 2.371 129 HA PHE 463 HA PHE 463 14.178 -2.924 4.253 130 HB2 PHE 463 HB2 PHE 463 13.567 -4.162 2.471 131 HB3 PHE 463 HB1 PHE 463 15.211 -4.209 1.832 132 HD1 PHE 463 HD1 PHE 463 16.844 -5.885 2.690 133 HD2 PHE 463 HD2 PHE 463 12.710 -5.933 3.853 134 HE1 PHE 463 HE1 PHE 463 17.104 -8.209 3.518 135 HE2 PHE 463 HE2 PHE 463 12.969 -8.257 4.681 136 HZ PHE 463 HZ PHE 463 15.166 -9.394 4.513 137 H SER 464 HN SER 464 17.482 -4.093 3.725 138 HA SER 464 HA SER 464 17.533 -6.061 5.729 139 HB2 SER 464 HB2 SER 464 19.309 -5.976 4.116 140 HB3 SER 464 HB1 SER 464 19.727 -4.330 4.578 141 HG SER 464 HG SER 464 21.028 -6.102 5.504 142 H LEU 465 HN LEU 465 17.644 -2.601 5.905 143 HA LEU 465 HA LEU 465 18.773 -2.477 8.557 144 HB2 LEU 465 HB2 LEU 465 17.992 -0.609 6.485 145 HB3 LEU 465 HB1 LEU 465 17.388 -0.092 8.059 146 HG LEU 465 HG LEU 465 19.651 -0.343 9.012 147 HD11 LEU 465 HD11 LEU 465 20.066 -1.748 6.510 148 HD12 LEU 465 HD12 LEU 465 21.081 -1.724 7.952 149 HD13 LEU 465 HD13 LEU 465 21.272 -0.476 6.718 150 HD21 LEU 465 HD21 LEU 465 19.820 1.826 8.420 151 HD22 LEU 465 HD22 LEU 465 18.854 1.547 6.972 152 HD23 LEU 465 HD23 LEU 465 20.601 1.307 6.926 153 H GLY 466 HN GLY 466 15.560 -1.535 7.306 154 HA2 GLY 466 HA2 GLY 466 14.317 -1.421 9.838 155 HA3 GLY 466 HA1 GLY 466 13.481 -1.550 8.294 156 H TYR 467 HN TYR 467 15.119 -4.076 7.785 157 HA TYR 467 HA TYR 467 13.184 -5.969 8.476 158 HB2 TYR 467 HB2 TYR 467 14.537 -6.783 6.818 159 HB3 TYR 467 HB1 TYR 467 15.994 -6.063 7.503 160 HD1 TYR 467 HD2 TYR 467 13.472 -8.761 8.091 161 HD2 TYR 467 HD1 TYR 467 17.470 -7.359 8.803 162 HE1 TYR 467 HE2 TYR 467 14.043 -10.928 9.155 163 HE2 TYR 467 HE1 TYR 467 18.040 -9.522 9.868 164 HH TYR 467 HH TYR 467 17.202 -11.898 9.766 165 H LEU 468 HN LEU 468 15.976 -4.804 10.249 166 HA LEU 468 HA LEU 468 16.005 -6.879 12.207 167 HB2 LEU 468 HB2 LEU 468 17.081 -4.054 12.378 168 HB3 LEU 468 HB1 LEU 468 17.494 -5.386 13.456 169 HG LEU 468 HG LEU 468 17.847 -5.825 10.523 170 HD11 LEU 468 HD11 LEU 468 20.158 -4.825 10.733 171 HD12 LEU 468 HD12 LEU 468 19.628 -4.090 12.247 172 HD13 LEU 468 HD13 LEU 468 18.844 -3.647 10.731 173 HD21 LEU 468 HD21 LEU 468 18.293 -7.414 12.590 174 HD22 LEU 468 HD22 LEU 468 19.798 -6.500 12.700 175 HD23 LEU 468 HD23 LEU 468 19.412 -7.394 11.228 176 H LEU 469 HN LEU 469 15.273 -3.434 12.749 177 HA LEU 469 HA LEU 469 13.908 -3.804 15.157 178 HB2 LEU 469 HB2 LEU 469 12.765 -1.553 14.415 179 HB3 LEU 469 HB1 LEU 469 14.483 -1.590 14.807 180 HG LEU 469 HG LEU 469 13.803 -2.217 11.986 181 HD11 LEU 469 HD11 LEU 469 13.266 0.456 13.274 182 HD12 LEU 469 HD12 LEU 469 12.241 -0.453 12.163 183 HD13 LEU 469 HD13 LEU 469 13.705 0.333 11.571 184 HD21 LEU 469 HD21 LEU 469 15.865 -1.154 11.576 185 HD22 LEU 469 HD22 LEU 469 16.120 -1.878 13.164 186 HD23 LEU 469 HD23 LEU 469 15.747 -0.161 13.028 187 H ASP 470 HN ASP 470 12.972 -4.769 12.086 188 HA ASP 470 HA ASP 470 10.102 -4.493 12.573 189 HB2 ASP 470 HB2 ASP 470 10.778 -4.091 10.309 190 HB3 ASP 470 HB1 ASP 470 11.698 -5.595 10.256 191 H LYS 471 HN LYS 471 12.605 -6.973 12.417 192 HA LYS 471 HA LYS 471 10.630 -9.024 13.175 193 HB2 LYS 471 HB2 LYS 471 13.462 -9.231 12.137 194 HB3 LYS 471 HB1 LYS 471 12.507 -10.615 12.670 195 HG2 LYS 471 HG2 LYS 471 10.972 -8.957 10.855 196 HG3 LYS 471 HG1 LYS 471 12.494 -9.447 10.111 197 HD2 LYS 471 HD2 LYS 471 12.031 -11.781 10.536 198 HD3 LYS 471 HD1 LYS 471 10.608 -11.372 11.496 199 HE2 LYS 471 HE2 LYS 471 9.439 -10.547 9.572 200 HE3 LYS 471 HE1 LYS 471 10.898 -10.611 8.582 201 HZ1 LYS 471 HZ1 LYS 471 10.918 -13.036 8.918 202 HZ2 LYS 471 HZ2 LYS 471 9.531 -12.499 8.098 203 HZ3 LYS 471 HZ3 LYS 471 9.439 -12.922 9.741 204 H LYS 472 HN LYS 472 13.928 -7.968 14.052 205 HA LYS 472 HA LYS 472 13.614 -9.225 16.682 206 HB2 LYS 472 HB2 LYS 472 16.058 -7.782 15.660 207 HB3 LYS 472 HB1 LYS 472 15.961 -9.013 16.920 208 HG2 LYS 472 HG2 LYS 472 15.438 -9.431 13.963 209 HG3 LYS 472 HG1 LYS 472 16.833 -10.015 14.869 210 HD2 LYS 472 HD2 LYS 472 15.004 -11.133 16.399 211 HD3 LYS 472 HD1 LYS 472 13.987 -10.957 14.969 212 HE2 LYS 472 HE2 LYS 472 16.027 -12.018 13.711 213 HE3 LYS 472 HE1 LYS 472 16.492 -12.583 15.316 214 HZ1 LYS 472 HZ1 LYS 472 13.784 -13.004 14.193 215 HZ2 LYS 472 HZ2 LYS 472 14.480 -13.752 15.550 216 HZ3 LYS 472 HZ3 LYS 472 15.042 -14.122 13.989 217 HN1 NH2 473 H1 NH2 473 15.293 -6.152 15.909 218 HN2 NH2 473 H2 NH2 473 14.469 -5.237 17.075 Start of MODEL 18 1 H1 ACE 446 HA2 ACE 446 20.780 1.467 -21.160 2 H2 ACE 446 HA3 ACE 446 19.779 0.144 -21.755 3 H3 ACE 446 HA1 ACE 446 20.974 -0.153 -20.493 4 H LYS 447 HN LYS 447 18.136 -0.721 -20.368 5 HA LYS 447 HA LYS 447 17.158 1.253 -18.414 6 HB2 LYS 447 HB2 LYS 447 15.722 0.502 -20.380 7 HB3 LYS 447 HB1 LYS 447 15.613 -1.065 -19.578 8 HG2 LYS 447 HG2 LYS 447 14.885 0.296 -17.489 9 HG3 LYS 447 HG1 LYS 447 14.580 1.604 -18.633 10 HD2 LYS 447 HD2 LYS 447 12.513 0.583 -18.695 11 HD3 LYS 447 HD1 LYS 447 13.323 -0.350 -19.954 12 HE2 LYS 447 HE2 LYS 447 14.034 -1.951 -18.066 13 HE3 LYS 447 HE1 LYS 447 12.824 -1.133 -17.080 14 HZ1 LYS 447 HZ1 LYS 447 11.220 -2.257 -18.085 15 HZ2 LYS 447 HZ2 LYS 447 12.402 -3.173 -18.893 16 HZ3 LYS 447 HZ3 LYS 447 11.759 -1.780 -19.621 17 H ASP 448 HN ASP 448 17.960 -2.158 -18.808 18 HA ASP 448 HA ASP 448 17.104 -2.929 -16.180 19 HB2 ASP 448 HB2 ASP 448 18.190 -5.046 -16.668 20 HB3 ASP 448 HB1 ASP 448 17.278 -4.521 -18.082 21 H GLN 449 HN GLN 449 20.044 -1.679 -17.587 22 HA GLN 449 HA GLN 449 21.804 -2.403 -15.465 23 HB2 GLN 449 HB2 GLN 449 21.901 -0.594 -17.823 24 HB3 GLN 449 HB1 GLN 449 23.038 -0.267 -16.513 25 HG2 GLN 449 HG2 GLN 449 24.019 -2.419 -16.677 26 HG3 GLN 449 HG1 GLN 449 22.681 -3.044 -17.639 27 HE21 GLN 449 HE21 GLN 449 25.459 -3.156 -18.493 28 HE22 GLN 449 HE22 GLN 449 25.600 -2.187 -19.880 29 H PHE 450 HN PHE 450 19.207 -0.337 -15.500 30 HA PHE 450 HA PHE 450 20.362 1.656 -13.698 31 HB2 PHE 450 HB2 PHE 450 18.067 1.515 -15.459 32 HB3 PHE 450 HB1 PHE 450 17.589 2.033 -13.842 33 HD1 PHE 450 HD1 PHE 450 19.013 3.890 -12.725 34 HD2 PHE 450 HD2 PHE 450 19.080 3.038 -16.935 35 HE1 PHE 450 HE1 PHE 450 19.953 6.143 -13.167 36 HE2 PHE 450 HE2 PHE 450 20.018 5.291 -17.376 37 HZ PHE 450 HZ PHE 450 20.454 6.844 -15.492 38 H ILE 451 HN ILE 451 17.754 -0.767 -13.680 39 HA ILE 451 HA ILE 451 17.088 -0.448 -10.944 40 HB ILE 451 HB ILE 451 16.701 -2.807 -12.803 41 HG12 ILE 451 HG12 ILE 451 14.296 -1.435 -12.134 42 HG13 ILE 451 HG11 ILE 451 15.475 -0.214 -12.615 43 HG21 ILE 451 HG21 ILE 451 16.140 -2.405 -9.950 44 HG22 ILE 451 HG22 ILE 451 16.144 -3.894 -10.894 45 HG23 ILE 451 HG23 ILE 451 14.714 -2.862 -10.882 46 HD11 ILE 451 HD11 ILE 451 15.945 -1.491 -14.682 47 HD12 ILE 451 HD12 ILE 451 14.244 -1.041 -14.580 48 HD13 ILE 451 HD13 ILE 451 14.743 -2.689 -14.208 49 H ILE 452 HN ILE 452 18.946 -3.031 -12.572 50 HA ILE 452 HA ILE 452 19.764 -4.374 -10.263 51 HB ILE 452 HB ILE 452 21.578 -5.297 -11.658 52 HG12 ILE 452 HG12 ILE 452 21.121 -4.247 -14.182 53 HG13 ILE 452 HG11 ILE 452 21.049 -2.822 -13.144 54 HG21 ILE 452 HG21 ILE 452 20.151 -6.295 -13.361 55 HG22 ILE 452 HG22 ILE 452 18.989 -4.977 -13.206 56 HG23 ILE 452 HG23 ILE 452 19.219 -6.110 -11.874 57 HD11 ILE 452 HD11 ILE 452 23.354 -3.145 -13.820 58 HD12 ILE 452 HD12 ILE 452 23.309 -4.834 -13.312 59 HD13 ILE 452 HD13 ILE 452 23.220 -3.550 -12.107 60 H ALA 453 HN ALA 453 20.551 -1.266 -11.275 61 HA ALA 453 HA ALA 453 23.192 -1.225 -10.025 62 HB1 ALA 453 HB1 ALA 453 21.710 0.462 -11.891 63 HB2 ALA 453 HB2 ALA 453 23.449 0.310 -11.652 64 HB3 ALA 453 HB3 ALA 453 22.509 1.392 -10.624 65 H TYR 454 HN TYR 454 19.896 -0.149 -9.432 66 HA TYR 454 HA TYR 454 20.664 0.485 -6.662 67 HB2 TYR 454 HB2 TYR 454 18.749 2.232 -8.196 68 HB3 TYR 454 HB1 TYR 454 19.541 2.561 -6.654 69 HD1 TYR 454 HD1 TYR 454 22.261 2.199 -6.858 70 HD2 TYR 454 HD2 TYR 454 19.606 3.437 -10.000 71 HE1 TYR 454 HE1 TYR 454 24.162 3.261 -8.048 72 HE2 TYR 454 HE2 TYR 454 21.505 4.497 -11.190 73 HH TYR 454 HH TYR 454 23.943 5.488 -10.243 74 H GLY 455 HN GLY 455 17.715 0.648 -8.668 75 HA2 GLY 455 HA2 GLY 455 15.807 -0.017 -6.863 76 HA3 GLY 455 HA1 GLY 455 15.750 -0.583 -8.530 77 H GLY 456 HN GLY 456 18.264 -2.138 -8.142 78 HA2 GLY 456 HA2 GLY 456 17.040 -4.590 -7.265 79 HA3 GLY 456 HA1 GLY 456 18.697 -4.390 -7.827 80 H LEU 457 HN LEU 457 19.988 -2.872 -6.175 81 HA LEU 457 HA LEU 457 20.270 -4.393 -3.804 82 HB2 LEU 457 HB2 LEU 457 22.082 -3.015 -3.314 83 HB3 LEU 457 HB1 LEU 457 21.978 -2.869 -5.061 84 HG LEU 457 HG LEU 457 20.359 -0.847 -4.490 85 HD11 LEU 457 HD11 LEU 457 20.419 -0.010 -2.386 86 HD12 LEU 457 HD12 LEU 457 22.166 -0.204 -2.278 87 HD13 LEU 457 HD13 LEU 457 21.106 -1.555 -1.890 88 HD21 LEU 457 HD21 LEU 457 23.378 -0.720 -4.231 89 HD22 LEU 457 HD22 LEU 457 22.328 0.647 -4.601 90 HD23 LEU 457 HD23 LEU 457 22.468 -0.691 -5.742 91 H ARG 458 HN ARG 458 18.338 -1.627 -4.608 92 HA ARG 458 HA ARG 458 17.906 -0.437 -2.142 93 HB2 ARG 458 HB2 ARG 458 16.585 -0.502 -4.706 94 HB3 ARG 458 HB1 ARG 458 15.393 -0.513 -3.405 95 HG2 ARG 458 HG2 ARG 458 15.970 1.798 -4.011 96 HG3 ARG 458 HG1 ARG 458 16.516 1.437 -2.372 97 HD2 ARG 458 HD2 ARG 458 18.557 0.710 -4.286 98 HD3 ARG 458 HD1 ARG 458 18.081 2.391 -4.516 99 HE ARG 458 HE ARG 458 18.543 1.696 -1.748 100 HH11 ARG 458 HH21 ARG 458 19.940 2.697 -4.751 101 HH12 ARG 458 HH22 ARG 458 21.318 3.449 -4.018 102 HH21 ARG 458 HH11 ARG 458 20.346 2.680 -0.779 103 HH22 ARG 458 HH12 ARG 458 21.547 3.440 -1.769 104 H GLY 459 HN GLY 459 17.320 -3.628 -2.992 105 HA2 GLY 459 HA2 GLY 459 14.946 -4.318 -1.722 106 HA3 GLY 459 HA1 GLY 459 16.345 -5.380 -1.865 107 H ALA 460 HN ALA 460 17.937 -3.257 -0.357 108 HA ALA 460 HA ALA 460 17.485 -4.367 2.268 109 HB1 ALA 460 HB1 ALA 460 19.393 -2.840 2.896 110 HB2 ALA 460 HB2 ALA 460 19.433 -2.309 1.216 111 HB3 ALA 460 HB3 ALA 460 19.765 -3.993 1.615 112 H ILE 461 HN ILE 461 16.384 -1.643 0.535 113 HA ILE 461 HA ILE 461 15.811 -0.079 2.938 114 HB ILE 461 HB ILE 461 15.486 0.417 -0.016 115 HG12 ILE 461 HG12 ILE 461 16.987 2.295 0.481 116 HG13 ILE 461 HG11 ILE 461 16.938 1.899 2.200 117 HG21 ILE 461 HG21 ILE 461 14.188 1.775 2.322 118 HG22 ILE 461 HG22 ILE 461 13.535 1.451 0.716 119 HG23 ILE 461 HG23 ILE 461 14.704 2.752 0.946 120 HD11 ILE 461 HD11 ILE 461 17.799 -0.170 0.189 121 HD12 ILE 461 HD12 ILE 461 18.174 -0.077 1.909 122 HD13 ILE 461 HD13 ILE 461 18.947 1.032 0.778 123 H ALA 462 HN ALA 462 13.980 -1.452 0.200 124 HA ALA 462 HA ALA 462 11.410 -0.941 1.077 125 HB1 ALA 462 HB1 ALA 462 10.887 -2.110 -0.762 126 HB2 ALA 462 HB2 ALA 462 11.545 -3.590 -0.063 127 HB3 ALA 462 HB3 ALA 462 12.600 -2.487 -0.947 128 H PHE 463 HN PHE 463 13.586 -3.567 2.016 129 HA PHE 463 HA PHE 463 11.665 -5.002 3.559 130 HB2 PHE 463 HB2 PHE 463 13.339 -6.488 3.492 131 HB3 PHE 463 HB1 PHE 463 14.439 -5.259 2.865 132 HD1 PHE 463 HD1 PHE 463 12.900 -6.507 6.038 133 HD2 PHE 463 HD2 PHE 463 16.167 -4.402 4.209 134 HE1 PHE 463 HE1 PHE 463 14.079 -6.441 8.220 135 HE2 PHE 463 HE2 PHE 463 17.347 -4.336 6.391 136 HZ PHE 463 HZ PHE 463 16.302 -5.357 8.396 137 H SER 464 HN SER 464 14.019 -2.473 4.290 138 HA SER 464 HA SER 464 13.691 -2.526 7.110 139 HB2 SER 464 HB2 SER 464 15.273 -1.114 5.258 140 HB3 SER 464 HB1 SER 464 14.353 0.104 6.136 141 HG SER 464 HG SER 464 15.199 -1.787 7.832 142 H LEU 465 HN LEU 465 11.716 -1.400 4.567 143 HA LEU 465 HA LEU 465 10.334 0.630 6.100 144 HB2 LEU 465 HB2 LEU 465 10.296 -0.393 3.345 145 HB3 LEU 465 HB1 LEU 465 8.703 0.035 3.964 146 HG LEU 465 HG LEU 465 9.904 1.938 2.836 147 HD11 LEU 465 HD11 LEU 465 9.803 3.117 5.441 148 HD12 LEU 465 HD12 LEU 465 8.526 1.906 5.338 149 HD13 LEU 465 HD13 LEU 465 8.601 3.210 4.154 150 HD21 LEU 465 HD21 LEU 465 12.095 1.009 4.194 151 HD22 LEU 465 HD22 LEU 465 11.618 2.379 5.197 152 HD23 LEU 465 HD23 LEU 465 11.974 2.619 3.487 153 H GLY 466 HN GLY 466 9.084 -2.296 4.487 154 HA2 GLY 466 HA2 GLY 466 6.753 -2.472 6.060 155 HA3 GLY 466 HA1 GLY 466 7.434 -3.779 5.096 156 H TYR 467 HN TYR 467 9.842 -2.783 7.100 157 HA TYR 467 HA TYR 467 9.449 -5.063 8.874 158 HB2 TYR 467 HB2 TYR 467 11.660 -5.037 8.235 159 HB3 TYR 467 HB1 TYR 467 11.723 -3.277 8.145 160 HD1 TYR 467 HD1 TYR 467 11.512 -6.133 10.533 161 HD2 TYR 467 HD2 TYR 467 12.478 -1.983 9.985 162 HE1 TYR 467 HE1 TYR 467 12.454 -6.050 12.825 163 HE2 TYR 467 HE2 TYR 467 13.419 -1.899 12.277 164 HH TYR 467 HH TYR 467 14.278 -3.331 13.963 165 H LEU 468 HN LEU 468 9.588 -1.541 9.033 166 HA LEU 468 HA LEU 468 9.669 -1.276 11.835 167 HB2 LEU 468 HB2 LEU 468 8.434 0.578 9.785 168 HB3 LEU 468 HB1 LEU 468 8.846 1.008 11.445 169 HG LEU 468 HG LEU 468 10.984 -0.196 9.733 170 HD11 LEU 468 HD11 LEU 468 10.008 1.488 8.260 171 HD12 LEU 468 HD12 LEU 468 11.552 2.071 8.885 172 HD13 LEU 468 HD13 LEU 468 10.039 2.678 9.561 173 HD21 LEU 468 HD21 LEU 468 11.279 2.180 11.530 174 HD22 LEU 468 HD22 LEU 468 12.402 0.853 11.235 175 HD23 LEU 468 HD23 LEU 468 10.999 0.605 12.272 176 H LEU 469 HN LEU 469 6.813 -0.525 9.832 177 HA LEU 469 HA LEU 469 4.916 -0.533 11.811 178 HB2 LEU 469 HB2 LEU 469 3.261 -0.961 10.110 179 HB3 LEU 469 HB1 LEU 469 4.530 0.035 9.399 180 HG LEU 469 HG LEU 469 5.468 -2.515 8.935 181 HD11 LEU 469 HD11 LEU 469 3.149 -3.279 9.764 182 HD12 LEU 469 HD12 LEU 469 3.680 -3.900 8.202 183 HD13 LEU 469 HD13 LEU 469 2.520 -2.575 8.275 184 HD21 LEU 469 HD21 LEU 469 4.505 -2.085 6.588 185 HD22 LEU 469 HD22 LEU 469 5.560 -0.838 7.248 186 HD23 LEU 469 HD23 LEU 469 3.811 -0.613 7.266 187 H ASP 470 HN ASP 470 6.762 -3.183 10.746 188 HA ASP 470 HA ASP 470 4.851 -5.173 11.734 189 HB2 ASP 470 HB2 ASP 470 7.269 -5.209 10.028 190 HB3 ASP 470 HB1 ASP 470 7.046 -6.610 11.074 191 H LYS 471 HN LYS 471 7.940 -3.693 12.540 192 HA LYS 471 HA LYS 471 8.323 -5.467 14.818 193 HB2 LYS 471 HB2 LYS 471 10.467 -4.572 15.009 194 HB3 LYS 471 HB1 LYS 471 10.173 -4.496 13.277 195 HG2 LYS 471 HG2 LYS 471 10.865 -2.341 13.534 196 HG3 LYS 471 HG1 LYS 471 9.193 -2.071 14.014 197 HD2 LYS 471 HD2 LYS 471 10.072 -2.742 16.406 198 HD3 LYS 471 HD1 LYS 471 11.647 -2.332 15.732 199 HE2 LYS 471 HE2 LYS 471 10.252 -0.178 14.904 200 HE3 LYS 471 HE1 LYS 471 9.344 -0.562 16.366 201 HZ1 LYS 471 HZ1 LYS 471 11.949 -0.824 17.114 202 HZ2 LYS 471 HZ2 LYS 471 10.946 0.506 17.446 203 HZ3 LYS 471 HZ3 LYS 471 11.973 0.530 16.094 204 H LYS 472 HN LYS 472 6.922 -2.405 14.129 205 HA LYS 472 HA LYS 472 7.138 -1.260 16.738 206 HB2 LYS 472 HB2 LYS 472 5.284 -0.712 14.413 207 HB3 LYS 472 HB1 LYS 472 5.269 0.224 15.909 208 HG2 LYS 472 HG2 LYS 472 7.900 -0.187 14.554 209 HG3 LYS 472 HG1 LYS 472 6.773 0.958 13.830 210 HD2 LYS 472 HD2 LYS 472 7.269 1.092 16.782 211 HD3 LYS 472 HD1 LYS 472 8.475 1.763 15.686 212 HE2 LYS 472 HE2 LYS 472 7.054 3.418 14.910 213 HE3 LYS 472 HE1 LYS 472 5.602 2.466 15.229 214 HZ1 LYS 472 HZ1 LYS 472 5.815 2.863 17.546 215 HZ2 LYS 472 HZ2 LYS 472 5.957 4.366 16.770 216 HZ3 LYS 472 HZ3 LYS 472 7.342 3.577 17.360 217 HN1 NH2 473 H1 NH2 473 4.870 -3.544 15.282 218 HN2 NH2 473 H2 NH2 473 3.873 -3.691 16.648 Start of MODEL 19 1 H1 ACE 446 HA2 ACE 446 19.363 0.970 -20.872 2 H2 ACE 446 HA3 ACE 446 18.694 2.503 -21.428 3 H3 ACE 446 HA1 ACE 446 17.854 0.995 -21.786 4 H LYS 447 HN LYS 447 17.675 -0.338 -19.513 5 HA LYS 447 HA LYS 447 16.829 1.433 -17.348 6 HB2 LYS 447 HB2 LYS 447 14.981 0.020 -19.156 7 HB3 LYS 447 HB1 LYS 447 14.669 -0.238 -17.438 8 HG2 LYS 447 HG2 LYS 447 14.500 2.127 -17.032 9 HG3 LYS 447 HG1 LYS 447 15.079 2.504 -18.653 10 HD2 LYS 447 HD2 LYS 447 12.615 2.733 -18.486 11 HD3 LYS 447 HD1 LYS 447 13.078 1.475 -19.632 12 HE2 LYS 447 HE2 LYS 447 12.397 -0.248 -18.229 13 HE3 LYS 447 HE1 LYS 447 12.615 0.718 -16.769 14 HZ1 LYS 447 HZ1 LYS 447 10.288 0.372 -18.335 15 HZ2 LYS 447 HZ2 LYS 447 10.708 2.019 -18.292 16 HZ3 LYS 447 HZ3 LYS 447 10.463 1.164 -16.845 17 H ASP 448 HN ASP 448 17.264 -1.834 -18.606 18 HA ASP 448 HA ASP 448 17.095 -3.132 -16.058 19 HB2 ASP 448 HB2 ASP 448 16.707 -4.272 -18.251 20 HB3 ASP 448 HB1 ASP 448 18.432 -4.124 -18.585 21 H GLN 449 HN GLN 449 19.535 -1.357 -17.694 22 HA GLN 449 HA GLN 449 21.753 -2.572 -16.269 23 HB2 GLN 449 HB2 GLN 449 21.406 -0.650 -18.455 24 HB3 GLN 449 HB1 GLN 449 22.706 -0.221 -17.341 25 HG2 GLN 449 HG2 GLN 449 22.413 -3.006 -18.478 26 HG3 GLN 449 HG1 GLN 449 23.347 -1.753 -19.292 27 HE21 GLN 449 HE21 GLN 449 25.132 -0.718 -17.899 28 HE22 GLN 449 HE22 GLN 449 25.924 -1.715 -16.776 29 H PHE 450 HN PHE 450 19.507 -0.011 -15.801 30 HA PHE 450 HA PHE 450 21.169 1.341 -13.813 31 HB2 PHE 450 HB2 PHE 450 18.322 1.917 -14.668 32 HB3 PHE 450 HB1 PHE 450 19.352 2.955 -13.683 33 HD1 PHE 450 HD2 PHE 450 19.151 1.304 -17.031 34 HD2 PHE 450 HD1 PHE 450 20.815 4.500 -14.694 35 HE1 PHE 450 HE2 PHE 450 20.106 2.310 -19.087 36 HE2 PHE 450 HE1 PHE 450 21.772 5.505 -16.749 37 HZ PHE 450 HZ PHE 450 21.417 4.410 -18.946 38 H ILE 451 HN ILE 451 18.250 -0.640 -14.013 39 HA ILE 451 HA ILE 451 17.316 -0.459 -11.410 40 HB ILE 451 HB ILE 451 17.300 -2.681 -13.434 41 HG12 ILE 451 HG12 ILE 451 14.913 -1.410 -12.141 42 HG13 ILE 451 HG11 ILE 451 15.824 -0.477 -13.330 43 HG21 ILE 451 HG21 ILE 451 16.470 -2.768 -10.542 44 HG22 ILE 451 HG22 ILE 451 17.313 -3.994 -11.490 45 HG23 ILE 451 HG23 ILE 451 15.590 -3.712 -11.744 46 HD11 ILE 451 HD11 ILE 451 13.837 -2.070 -14.086 47 HD12 ILE 451 HD12 ILE 451 15.096 -3.301 -14.002 48 HD13 ILE 451 HD13 ILE 451 15.291 -1.912 -15.069 49 H ILE 452 HN ILE 452 19.347 -3.148 -12.599 50 HA ILE 452 HA ILE 452 19.997 -4.344 -10.238 51 HB ILE 452 HB ILE 452 22.056 -5.113 -11.287 52 HG12 ILE 452 HG12 ILE 452 22.136 -3.876 -13.775 53 HG13 ILE 452 HG11 ILE 452 21.793 -2.545 -12.671 54 HG21 ILE 452 HG21 ILE 452 20.677 -5.149 -13.776 55 HG22 ILE 452 HG22 ILE 452 19.458 -5.183 -12.504 56 HG23 ILE 452 HG23 ILE 452 20.721 -6.412 -12.548 57 HD11 ILE 452 HD11 ILE 452 23.708 -3.269 -11.252 58 HD12 ILE 452 HD12 ILE 452 24.213 -2.828 -12.882 59 HD13 ILE 452 HD13 ILE 452 24.075 -4.527 -12.432 60 H ALA 453 HN ALA 453 20.919 -1.201 -11.288 61 HA ALA 453 HA ALA 453 23.183 -0.921 -9.520 62 HB1 ALA 453 HB1 ALA 453 22.339 0.438 -11.734 63 HB2 ALA 453 HB2 ALA 453 23.523 1.053 -10.579 64 HB3 ALA 453 HB3 ALA 453 21.830 1.527 -10.443 65 H TYR 454 HN TYR 454 19.764 -0.016 -9.488 66 HA TYR 454 HA TYR 454 19.991 0.471 -6.589 67 HB2 TYR 454 HB2 TYR 454 18.386 2.196 -8.486 68 HB3 TYR 454 HB1 TYR 454 18.567 2.423 -6.746 69 HD1 TYR 454 HD2 TYR 454 21.154 2.403 -5.950 70 HD2 TYR 454 HD1 TYR 454 19.741 3.516 -9.852 71 HE1 TYR 454 HE2 TYR 454 23.222 3.717 -6.324 72 HE2 TYR 454 HE1 TYR 454 21.810 4.830 -10.225 73 HH TYR 454 HH TYR 454 24.487 4.485 -8.802 74 H GLY 455 HN GLY 455 17.487 0.460 -9.139 75 HA2 GLY 455 HA2 GLY 455 15.303 -0.349 -7.752 76 HA3 GLY 455 HA1 GLY 455 15.631 -0.914 -9.387 77 H GLY 456 HN GLY 456 18.167 -2.204 -8.303 78 HA2 GLY 456 HA2 GLY 456 16.917 -4.743 -7.591 79 HA3 GLY 456 HA1 GLY 456 18.610 -4.491 -8.009 80 H LEU 457 HN LEU 457 19.933 -3.290 -6.387 81 HA LEU 457 HA LEU 457 19.896 -4.520 -3.896 82 HB2 LEU 457 HB2 LEU 457 21.805 -3.342 -3.519 83 HB3 LEU 457 HB1 LEU 457 21.634 -2.899 -5.208 84 HG LEU 457 HG LEU 457 20.224 -0.894 -4.376 85 HD11 LEU 457 HD11 LEU 457 19.859 -0.778 -2.146 86 HD12 LEU 457 HD12 LEU 457 21.583 -0.485 -1.944 87 HD13 LEU 457 HD13 LEU 457 20.951 -2.123 -1.832 88 HD21 LEU 457 HD21 LEU 457 23.181 -1.072 -3.738 89 HD22 LEU 457 HD22 LEU 457 22.272 0.422 -3.978 90 HD23 LEU 457 HD23 LEU 457 22.484 -0.706 -5.315 91 H ARG 458 HN ARG 458 17.941 -2.009 -5.099 92 HA ARG 458 HA ARG 458 16.120 -0.951 -4.179 93 HB2 ARG 458 HB2 ARG 458 16.348 -3.193 -2.608 94 HB3 ARG 458 HB1 ARG 458 16.481 -1.903 -1.418 95 HG2 ARG 458 HG2 ARG 458 14.151 -2.312 -1.601 96 HG3 ARG 458 HG1 ARG 458 14.424 -0.862 -2.566 97 HD2 ARG 458 HD2 ARG 458 14.866 -2.913 -4.381 98 HD3 ARG 458 HD1 ARG 458 13.530 -3.523 -3.410 99 HE ARG 458 HE ARG 458 13.461 -1.265 -5.229 100 HH11 ARG 458 HH21 ARG 458 12.061 -2.845 -2.487 101 HH12 ARG 458 HH22 ARG 458 10.493 -2.140 -2.707 102 HH21 ARG 458 HH11 ARG 458 11.408 -0.342 -5.528 103 HH22 ARG 458 HH12 ARG 458 10.125 -0.723 -4.429 104 H GLY 459 HN GLY 459 18.665 0.261 -4.321 105 HA2 GLY 459 HA2 GLY 459 19.364 1.595 -1.900 106 HA3 GLY 459 HA1 GLY 459 19.867 2.059 -3.523 107 H ALA 460 HN ALA 460 16.784 1.990 -4.083 108 HA ALA 460 HA ALA 460 16.326 4.722 -4.162 109 HB1 ALA 460 HB1 ALA 460 14.813 3.510 -5.432 110 HB2 ALA 460 HB2 ALA 460 13.816 3.936 -4.040 111 HB3 ALA 460 HB3 ALA 460 14.529 2.327 -4.154 112 H ILE 461 HN ILE 461 16.259 2.603 -1.465 113 HA ILE 461 HA ILE 461 14.660 4.425 0.169 114 HB ILE 461 HB ILE 461 15.901 1.722 0.668 115 HG12 ILE 461 HG12 ILE 461 13.531 1.098 1.017 116 HG13 ILE 461 HG11 ILE 461 13.049 2.764 0.697 117 HG21 ILE 461 HG21 ILE 461 14.484 2.096 2.894 118 HG22 ILE 461 HG22 ILE 461 14.880 3.785 2.575 119 HG23 ILE 461 HG23 ILE 461 16.171 2.603 2.789 120 HD11 ILE 461 HD11 ILE 461 13.583 2.626 -1.569 121 HD12 ILE 461 HD12 ILE 461 12.993 0.994 -1.251 122 HD13 ILE 461 HD13 ILE 461 14.726 1.306 -1.321 123 H ALA 462 HN ALA 462 17.917 2.971 0.247 124 HA ALA 462 HA ALA 462 18.972 4.331 2.408 125 HB1 ALA 462 HB1 ALA 462 20.035 2.954 0.056 126 HB2 ALA 462 HB2 ALA 462 20.601 2.932 1.725 127 HB3 ALA 462 HB3 ALA 462 21.093 4.234 0.643 128 H PHE 463 HN PHE 463 18.581 5.442 -0.924 129 HA PHE 463 HA PHE 463 20.047 7.871 -0.582 130 HB2 PHE 463 HB2 PHE 463 19.826 7.839 -2.809 131 HB3 PHE 463 HB1 PHE 463 18.647 6.533 -2.700 132 HD1 PHE 463 HD1 PHE 463 18.987 10.245 -2.367 133 HD2 PHE 463 HD2 PHE 463 16.376 6.928 -3.171 134 HE1 PHE 463 HE1 PHE 463 17.175 11.821 -2.986 135 HE2 PHE 463 HE2 PHE 463 14.564 8.506 -3.789 136 HZ PHE 463 HZ PHE 463 14.964 10.951 -3.697 137 H SER 464 HN SER 464 16.654 6.955 -0.263 138 HA SER 464 HA SER 464 15.642 9.589 0.082 139 HB2 SER 464 HB2 SER 464 14.196 7.701 -0.537 140 HB3 SER 464 HB1 SER 464 14.515 6.939 1.019 141 HG SER 464 HG SER 464 12.551 8.192 0.937 142 H LEU 465 HN LEU 465 17.557 7.626 2.049 143 HA LEU 465 HA LEU 465 16.563 8.659 4.582 144 HB2 LEU 465 HB2 LEU 465 18.420 6.558 3.701 145 HB3 LEU 465 HB1 LEU 465 18.966 7.432 5.129 146 HG LEU 465 HG LEU 465 17.539 5.423 5.646 147 HD11 LEU 465 HD11 LEU 465 17.080 6.548 7.535 148 HD12 LEU 465 HD12 LEU 465 15.750 7.378 6.726 149 HD13 LEU 465 HD13 LEU 465 17.370 8.073 6.699 150 HD21 LEU 465 HD21 LEU 465 15.072 6.881 4.940 151 HD22 LEU 465 HD22 LEU 465 15.451 5.167 4.779 152 HD23 LEU 465 HD23 LEU 465 16.003 6.310 3.556 153 H GLY 466 HN GLY 466 19.718 8.720 2.904 154 HA2 GLY 466 HA2 GLY 466 20.748 10.830 4.534 155 HA3 GLY 466 HA1 GLY 466 21.478 10.204 3.060 156 H TYR 467 HN TYR 467 18.355 10.936 2.305 157 HA TYR 467 HA TYR 467 19.161 13.417 0.993 158 HB2 TYR 467 HB2 TYR 467 17.982 12.193 -0.553 159 HB3 TYR 467 HB1 TYR 467 16.951 11.444 0.667 160 HD1 TYR 467 HD1 TYR 467 17.652 14.697 -1.033 161 HD2 TYR 467 HD2 TYR 467 14.810 12.316 1.133 162 HE1 TYR 467 HE1 TYR 467 15.897 16.392 -1.474 163 HE2 TYR 467 HE2 TYR 467 13.054 14.011 0.693 164 HH TYR 467 HH TYR 467 13.173 16.685 0.165 165 H LEU 468 HN LEU 468 16.942 12.278 3.481 166 HA LEU 468 HA LEU 468 15.460 14.677 3.764 167 HB2 LEU 468 HB2 LEU 468 16.014 12.516 5.812 168 HB3 LEU 468 HB1 LEU 468 14.748 13.739 5.917 169 HG LEU 468 HG LEU 468 14.862 12.045 3.455 170 HD11 LEU 468 HD11 LEU 468 13.446 10.341 4.609 171 HD12 LEU 468 HD12 LEU 468 13.805 11.133 6.143 172 HD13 LEU 468 HD13 LEU 468 15.103 10.385 5.213 173 HD21 LEU 468 HD21 LEU 468 12.618 12.618 3.285 174 HD22 LEU 468 HD22 LEU 468 13.236 14.027 4.146 175 HD23 LEU 468 HD23 LEU 468 12.413 12.743 5.032 176 H LEU 469 HN LEU 469 17.609 13.375 6.273 177 HA LEU 469 HA LEU 469 18.045 15.675 7.687 178 HB2 LEU 469 HB2 LEU 469 20.171 14.677 8.441 179 HB3 LEU 469 HB1 LEU 469 18.870 13.487 8.417 180 HG LEU 469 HG LEU 469 19.890 13.301 5.860 181 HD11 LEU 469 HD11 LEU 469 21.776 14.809 6.732 182 HD12 LEU 469 HD12 LEU 469 22.270 13.299 5.967 183 HD13 LEU 469 HD13 LEU 469 22.266 13.437 7.724 184 HD21 LEU 469 HD21 LEU 469 19.315 11.360 7.123 185 HD22 LEU 469 HD22 LEU 469 20.462 11.763 8.402 186 HD23 LEU 469 HD23 LEU 469 21.050 11.224 6.829 187 H ASP 470 HN ASP 470 19.091 15.007 4.510 188 HA ASP 470 HA ASP 470 21.271 16.944 4.554 189 HB2 ASP 470 HB2 ASP 470 21.567 14.972 3.176 190 HB3 ASP 470 HB1 ASP 470 20.065 15.305 2.314 191 H LYS 471 HN LYS 471 18.024 16.613 3.169 192 HA LYS 471 HA LYS 471 18.110 19.451 2.366 193 HB2 LYS 471 HB2 LYS 471 16.265 17.200 1.534 194 HB3 LYS 471 HB1 LYS 471 16.099 18.877 1.007 195 HG2 LYS 471 HG2 LYS 471 18.822 18.049 0.624 196 HG3 LYS 471 HG1 LYS 471 17.753 16.861 -0.120 197 HD2 LYS 471 HD2 LYS 471 16.599 18.630 -1.361 198 HD3 LYS 471 HD1 LYS 471 17.597 19.853 -0.576 199 HE2 LYS 471 HE2 LYS 471 19.193 17.734 -1.808 200 HE3 LYS 471 HE1 LYS 471 18.185 18.588 -2.977 201 HZ1 LYS 471 HZ1 LYS 471 19.331 20.438 -1.190 202 HZ2 LYS 471 HZ2 LYS 471 19.535 20.319 -2.872 203 HZ3 LYS 471 HZ3 LYS 471 20.559 19.456 -1.827 204 H LYS 472 HN LYS 472 15.905 17.073 3.857 205 HA LYS 472 HA LYS 472 13.941 18.841 4.732 206 HB2 LYS 472 HB2 LYS 472 14.048 16.238 4.826 207 HB3 LYS 472 HB1 LYS 472 14.772 16.496 6.414 208 HG2 LYS 472 HG2 LYS 472 12.538 16.435 7.012 209 HG3 LYS 472 HG1 LYS 472 12.714 18.161 6.693 210 HD2 LYS 472 HD2 LYS 472 12.103 17.464 4.223 211 HD3 LYS 472 HD1 LYS 472 11.398 16.052 5.014 212 HE2 LYS 472 HE2 LYS 472 10.712 18.962 5.502 213 HE3 LYS 472 HE1 LYS 472 9.658 17.707 4.850 214 HZ1 LYS 472 HZ1 LYS 472 9.763 18.409 7.436 215 HZ2 LYS 472 HZ2 LYS 472 10.834 17.089 7.416 216 HZ3 LYS 472 HZ3 LYS 472 9.233 16.898 6.878 217 HN1 NH2 473 H1 NH2 473 13.745 20.198 6.564 218 HN2 NH2 473 H2 NH2 473 15.008 20.461 7.668 Start of MODEL 20 1 H1 ACE 446 HA2 ACE 446 19.694 0.090 -21.020 2 H2 ACE 446 HA3 ACE 446 20.535 1.588 -20.624 3 H3 ACE 446 HA1 ACE 446 19.015 1.640 -21.516 4 H LYS 447 HN LYS 447 17.556 -0.242 -20.022 5 HA LYS 447 HA LYS 447 17.121 1.291 -17.545 6 HB2 LYS 447 HB2 LYS 447 15.333 -0.602 -19.087 7 HB3 LYS 447 HB1 LYS 447 14.899 0.128 -17.541 8 HG2 LYS 447 HG2 LYS 447 15.889 2.155 -19.349 9 HG3 LYS 447 HG1 LYS 447 14.569 1.259 -20.104 10 HD2 LYS 447 HD2 LYS 447 14.440 2.434 -17.313 11 HD3 LYS 447 HD1 LYS 447 13.794 3.228 -18.750 12 HE2 LYS 447 HE2 LYS 447 12.872 0.500 -18.669 13 HE3 LYS 447 HE1 LYS 447 12.509 1.289 -17.135 14 HZ1 LYS 447 HZ1 LYS 447 11.228 2.888 -18.158 15 HZ2 LYS 447 HZ2 LYS 447 10.867 1.514 -19.091 16 HZ3 LYS 447 HZ3 LYS 447 11.961 2.676 -19.673 17 H ASP 448 HN ASP 448 17.506 -2.015 -18.765 18 HA ASP 448 HA ASP 448 17.210 -3.367 -16.315 19 HB2 ASP 448 HB2 ASP 448 18.270 -5.238 -17.398 20 HB3 ASP 448 HB1 ASP 448 17.253 -4.428 -18.590 21 H GLN 449 HN GLN 449 19.806 -1.470 -17.597 22 HA GLN 449 HA GLN 449 21.752 -2.527 -15.693 23 HB2 GLN 449 HB2 GLN 449 21.828 -0.768 -18.079 24 HB3 GLN 449 HB1 GLN 449 23.012 -0.423 -16.818 25 HG2 GLN 449 HG2 GLN 449 22.560 -3.216 -17.881 26 HG3 GLN 449 HG1 GLN 449 23.725 -2.111 -18.608 27 HE21 GLN 449 HE21 GLN 449 23.744 -4.662 -16.615 28 HE22 GLN 449 HE22 GLN 449 24.975 -4.218 -15.535 29 H PHE 450 HN PHE 450 19.415 -0.047 -15.891 30 HA PHE 450 HA PHE 450 20.729 1.659 -13.917 31 HB2 PHE 450 HB2 PHE 450 19.553 3.213 -15.026 32 HB3 PHE 450 HB1 PHE 450 18.634 1.978 -15.886 33 HD1 PHE 450 HD1 PHE 450 18.857 3.770 -12.615 34 HD2 PHE 450 HD2 PHE 450 16.382 1.545 -15.329 35 HE1 PHE 450 HE1 PHE 450 16.872 4.271 -11.215 36 HE2 PHE 450 HE2 PHE 450 14.398 2.045 -13.930 37 HZ PHE 450 HZ PHE 450 14.642 3.408 -11.873 38 H ILE 451 HN ILE 451 18.346 -0.848 -14.100 39 HA ILE 451 HA ILE 451 17.122 -0.260 -11.549 40 HB ILE 451 HB ILE 451 16.921 -2.510 -13.534 41 HG12 ILE 451 HG12 ILE 451 14.652 -0.975 -12.310 42 HG13 ILE 451 HG11 ILE 451 15.665 -0.173 -13.512 43 HG21 ILE 451 HG21 ILE 451 15.088 -3.324 -11.850 44 HG22 ILE 451 HG22 ILE 451 16.045 -2.448 -10.655 45 HG23 ILE 451 HG23 ILE 451 16.769 -3.774 -11.566 46 HD11 ILE 451 HD11 ILE 451 14.242 -2.824 -13.903 47 HD12 ILE 451 HD12 ILE 451 15.246 -2.009 -15.102 48 HD13 ILE 451 HD13 ILE 451 13.729 -1.278 -14.578 49 H ILE 452 HN ILE 452 19.197 -2.901 -12.767 50 HA ILE 452 HA ILE 452 19.628 -4.233 -10.375 51 HB ILE 452 HB ILE 452 20.382 -5.107 -12.533 52 HG12 ILE 452 HG12 ILE 452 22.787 -4.650 -10.747 53 HG13 ILE 452 HG11 ILE 452 21.490 -5.775 -10.340 54 HG21 ILE 452 HG21 ILE 452 21.160 -2.777 -13.305 55 HG22 ILE 452 HG22 ILE 452 22.175 -4.146 -13.761 56 HG23 ILE 452 HG23 ILE 452 22.646 -3.109 -12.414 57 HD11 ILE 452 HD11 ILE 452 23.697 -6.464 -11.791 58 HD12 ILE 452 HD12 ILE 452 22.565 -6.055 -13.079 59 HD13 ILE 452 HD13 ILE 452 22.147 -7.299 -11.901 60 H ALA 453 HN ALA 453 21.046 -1.259 -11.558 61 HA ALA 453 HA ALA 453 23.214 -1.098 -9.739 62 HB1 ALA 453 HB1 ALA 453 23.016 0.291 -11.785 63 HB2 ALA 453 HB2 ALA 453 23.295 1.263 -10.340 64 HB3 ALA 453 HB3 ALA 453 21.678 1.163 -11.039 65 H TYR 454 HN TYR 454 19.811 -0.346 -9.483 66 HA TYR 454 HA TYR 454 20.153 1.053 -6.947 67 HB2 TYR 454 HB2 TYR 454 17.923 0.572 -8.851 68 HB3 TYR 454 HB1 TYR 454 17.490 0.773 -7.152 69 HD1 TYR 454 HD2 TYR 454 19.523 2.336 -9.880 70 HD2 TYR 454 HD1 TYR 454 17.378 2.921 -6.205 71 HE1 TYR 454 HE2 TYR 454 19.834 4.787 -10.088 72 HE2 TYR 454 HE1 TYR 454 17.689 5.372 -6.413 73 HH TYR 454 HH TYR 454 18.090 7.001 -8.501 74 H GLY 455 HN GLY 455 19.645 -2.137 -8.080 75 HA2 GLY 455 HA2 GLY 455 19.809 -4.061 -6.720 76 HA3 GLY 455 HA1 GLY 455 19.365 -3.086 -5.322 77 H GLY 456 HN GLY 456 17.508 -2.698 -8.204 78 HA2 GLY 456 HA2 GLY 456 15.226 -2.961 -8.515 79 HA3 GLY 456 HA1 GLY 456 15.620 -4.651 -8.213 80 H LEU 457 HN LEU 457 15.724 -1.886 -5.987 81 HA LEU 457 HA LEU 457 14.420 -3.351 -3.908 82 HB2 LEU 457 HB2 LEU 457 14.542 -1.281 -2.641 83 HB3 LEU 457 HB1 LEU 457 16.066 -1.527 -3.497 84 HG LEU 457 HG LEU 457 14.527 -0.139 -5.339 85 HD11 LEU 457 HD11 LEU 457 12.837 0.311 -3.593 86 HD12 LEU 457 HD12 LEU 457 13.644 1.797 -4.093 87 HD13 LEU 457 HD13 LEU 457 14.086 1.023 -2.572 88 HD21 LEU 457 HD21 LEU 457 16.010 1.792 -4.664 89 HD22 LEU 457 HD22 LEU 457 16.877 0.281 -4.940 90 HD23 LEU 457 HD23 LEU 457 16.548 0.823 -3.293 91 H ARG 458 HN ARG 458 13.336 -1.336 -6.505 92 HA ARG 458 HA ARG 458 10.939 -0.311 -5.593 93 HB2 ARG 458 HB2 ARG 458 11.943 -1.230 -8.241 94 HB3 ARG 458 HB1 ARG 458 10.205 -0.971 -8.082 95 HG2 ARG 458 HG2 ARG 458 11.344 1.089 -8.833 96 HG3 ARG 458 HG1 ARG 458 10.613 1.312 -7.244 97 HD2 ARG 458 HD2 ARG 458 12.713 1.117 -6.138 98 HD3 ARG 458 HD1 ARG 458 13.495 0.470 -7.578 99 HE ARG 458 HE ARG 458 13.696 2.650 -8.402 100 HH11 ARG 458 HH21 ARG 458 11.663 2.500 -5.606 101 HH12 ARG 458 HH22 ARG 458 11.600 4.217 -5.390 102 HH21 ARG 458 HH11 ARG 458 13.618 4.903 -8.124 103 HH22 ARG 458 HH12 ARG 458 12.706 5.578 -6.815 104 H GLY 459 HN GLY 459 11.850 -3.555 -5.727 105 HA2 GLY 459 HA2 GLY 459 9.576 -4.969 -6.411 106 HA3 GLY 459 HA1 GLY 459 10.716 -5.482 -5.169 107 H ALA 460 HN ALA 460 9.871 -2.664 -3.968 108 HA ALA 460 HA ALA 460 7.763 -3.819 -2.292 109 HB1 ALA 460 HB1 ALA 460 8.200 -1.825 -0.850 110 HB2 ALA 460 HB2 ALA 460 9.447 -1.323 -1.993 111 HB3 ALA 460 HB3 ALA 460 9.625 -2.834 -1.100 112 H ILE 461 HN ILE 461 8.272 -1.398 -4.724 113 HA ILE 461 HA ILE 461 5.777 -0.015 -4.191 114 HB ILE 461 HB ILE 461 7.962 0.242 -6.236 115 HG12 ILE 461 HG12 ILE 461 8.083 2.502 -5.318 116 HG13 ILE 461 HG11 ILE 461 6.636 2.217 -4.351 117 HG21 ILE 461 HG21 ILE 461 5.141 1.285 -6.371 118 HG22 ILE 461 HG22 ILE 461 6.118 0.570 -7.654 119 HG23 ILE 461 HG23 ILE 461 6.468 2.202 -7.084 120 HD11 ILE 461 HD11 ILE 461 7.735 0.712 -2.919 121 HD12 ILE 461 HD12 ILE 461 8.959 1.948 -3.205 122 HD13 ILE 461 HD13 ILE 461 9.034 0.416 -4.075 123 H ALA 462 HN ALA 462 7.085 -1.964 -6.880 124 HA ALA 462 HA ALA 462 4.850 -2.120 -8.483 125 HB1 ALA 462 HB1 ALA 462 5.775 -4.554 -8.923 126 HB2 ALA 462 HB2 ALA 462 7.122 -3.986 -7.935 127 HB3 ALA 462 HB3 ALA 462 6.702 -3.138 -9.423 128 H PHE 463 HN PHE 463 5.477 -3.748 -5.449 129 HA PHE 463 HA PHE 463 3.158 -5.490 -5.728 130 HB2 PHE 463 HB2 PHE 463 4.433 -6.742 -4.373 131 HB3 PHE 463 HB1 PHE 463 5.527 -5.394 -4.067 132 HD1 PHE 463 HD2 PHE 463 2.237 -6.847 -3.068 133 HD2 PHE 463 HD1 PHE 463 5.465 -4.216 -2.016 134 HE1 PHE 463 HE2 PHE 463 1.284 -6.587 -0.793 135 HE2 PHE 463 HE1 PHE 463 4.512 -3.956 0.259 136 HZ PHE 463 HZ PHE 463 2.421 -5.141 0.869 137 H SER 464 HN SER 464 4.164 -2.668 -3.833 138 HA SER 464 HA SER 464 1.922 -2.496 -2.152 139 HB2 SER 464 HB2 SER 464 3.967 -1.179 -1.794 140 HB3 SER 464 HB1 SER 464 3.637 -0.258 -3.259 141 HG SER 464 HG SER 464 2.550 0.971 -1.939 142 H LEU 465 HN LEU 465 2.469 -1.332 -5.439 143 HA LEU 465 HA LEU 465 -0.172 -0.084 -5.506 144 HB2 LEU 465 HB2 LEU 465 1.040 1.325 -6.779 145 HB3 LEU 465 HB1 LEU 465 2.327 0.154 -7.015 146 HG LEU 465 HG LEU 465 -0.303 0.020 -8.530 147 HD11 LEU 465 HD11 LEU 465 0.516 2.077 -9.255 148 HD12 LEU 465 HD12 LEU 465 1.258 0.963 -10.404 149 HD13 LEU 465 HD13 LEU 465 2.200 1.593 -9.051 150 HD21 LEU 465 HD21 LEU 465 1.973 -1.702 -8.323 151 HD22 LEU 465 HD22 LEU 465 2.021 -0.956 -9.920 152 HD23 LEU 465 HD23 LEU 465 0.596 -1.861 -9.412 153 H GLY 466 HN GLY 466 1.446 -2.989 -6.472 154 HA2 GLY 466 HA2 GLY 466 -0.742 -3.798 -8.246 155 HA3 GLY 466 HA1 GLY 466 0.763 -4.673 -7.983 156 H TYR 467 HN TYR 467 -0.279 -3.729 -5.011 157 HA TYR 467 HA TYR 467 -1.205 -6.402 -4.358 158 HB2 TYR 467 HB2 TYR 467 0.219 -5.603 -2.707 159 HB3 TYR 467 HB1 TYR 467 -0.428 -3.965 -2.796 160 HD1 TYR 467 HD1 TYR 467 -1.181 -7.433 -1.682 161 HD2 TYR 467 HD2 TYR 467 -2.286 -3.290 -1.465 162 HE1 TYR 467 HE1 TYR 467 -2.748 -7.948 0.171 163 HE2 TYR 467 HE2 TYR 467 -3.855 -3.802 0.382 164 HH TYR 467 HH TYR 467 -4.229 -5.476 2.063 165 H LEU 468 HN LEU 468 -2.508 -3.104 -4.428 166 HA LEU 468 HA LEU 468 -5.002 -3.671 -3.241 167 HB2 LEU 468 HB2 LEU 468 -4.363 -1.573 -5.328 168 HB3 LEU 468 HB1 LEU 468 -5.762 -1.582 -4.257 169 HG LEU 468 HG LEU 468 -3.035 -1.745 -3.033 170 HD11 LEU 468 HD11 LEU 468 -4.299 0.711 -4.253 171 HD12 LEU 468 HD12 LEU 468 -2.672 0.082 -4.518 172 HD13 LEU 468 HD13 LEU 468 -3.096 0.807 -2.967 173 HD21 LEU 468 HD21 LEU 468 -5.093 -1.937 -1.664 174 HD22 LEU 468 HD22 LEU 468 -5.624 -0.364 -2.259 175 HD23 LEU 468 HD23 LEU 468 -4.180 -0.485 -1.253 176 H LEU 469 HN LEU 469 -4.414 -3.048 -6.710 177 HA LEU 469 HA LEU 469 -6.839 -3.968 -7.667 178 HB2 LEU 469 HB2 LEU 469 -4.924 -4.760 -9.586 179 HB3 LEU 469 HB1 LEU 469 -5.885 -3.284 -9.571 180 HG LEU 469 HG LEU 469 -3.288 -3.550 -8.035 181 HD11 LEU 469 HD11 LEU 469 -2.392 -2.141 -9.979 182 HD12 LEU 469 HD12 LEU 469 -3.815 -2.672 -10.877 183 HD13 LEU 469 HD13 LEU 469 -2.641 -3.857 -10.302 184 HD21 LEU 469 HD21 LEU 469 -3.585 -1.336 -7.520 185 HD22 LEU 469 HD22 LEU 469 -5.284 -1.691 -7.836 186 HD23 LEU 469 HD23 LEU 469 -4.285 -0.967 -9.095 187 H ASP 470 HN ASP 470 -4.169 -5.784 -6.445 188 HA ASP 470 HA ASP 470 -4.890 -8.281 -7.673 189 HB2 ASP 470 HB2 ASP 470 -2.950 -7.403 -5.579 190 HB3 ASP 470 HB1 ASP 470 -3.373 -9.112 -5.670 191 H LYS 471 HN LYS 471 -5.503 -6.705 -4.572 192 HA LYS 471 HA LYS 471 -7.240 -8.959 -3.787 193 HB2 LYS 471 HB2 LYS 471 -6.245 -6.677 -2.069 194 HB3 LYS 471 HB1 LYS 471 -7.059 -8.144 -1.523 195 HG2 LYS 471 HG2 LYS 471 -4.362 -8.037 -2.908 196 HG3 LYS 471 HG1 LYS 471 -4.622 -8.319 -1.187 197 HD2 LYS 471 HD2 LYS 471 -6.183 -10.261 -2.037 198 HD3 LYS 471 HD1 LYS 471 -5.220 -10.123 -3.509 199 HE2 LYS 471 HE2 LYS 471 -3.217 -10.122 -1.729 200 HE3 LYS 471 HE1 LYS 471 -4.402 -11.026 -0.787 201 HZ1 LYS 471 HZ1 LYS 471 -2.788 -12.120 -2.613 202 HZ2 LYS 471 HZ2 LYS 471 -4.166 -11.820 -3.560 203 HZ3 LYS 471 HZ3 LYS 471 -4.285 -12.775 -2.161 204 H LYS 472 HN LYS 472 -7.226 -5.418 -3.316 205 HA LYS 472 HA LYS 472 -10.151 -5.422 -3.479 206 HB2 LYS 472 HB2 LYS 472 -8.375 -3.047 -2.920 207 HB3 LYS 472 HB1 LYS 472 -10.075 -3.261 -2.502 208 HG2 LYS 472 HG2 LYS 472 -7.720 -4.773 -1.339 209 HG3 LYS 472 HG1 LYS 472 -8.751 -3.614 -0.500 210 HD2 LYS 472 HD2 LYS 472 -10.701 -5.195 -1.152 211 HD3 LYS 472 HD1 LYS 472 -9.439 -6.388 -1.458 212 HE2 LYS 472 HE2 LYS 472 -9.993 -4.950 1.150 213 HE3 LYS 472 HE1 LYS 472 -10.178 -6.673 0.826 214 HZ1 LYS 472 HZ1 LYS 472 -8.094 -6.058 2.007 215 HZ2 LYS 472 HZ2 LYS 472 -7.597 -5.228 0.610 216 HZ3 LYS 472 HZ3 LYS 472 -7.846 -6.908 0.560 217 HN1 NH2 473 H1 NH2 473 -10.414 -5.708 -5.810 218 HN2 NH2 473 H2 NH2 473 -10.020 -4.460 -6.892 Start of MODEL 21 1 H1 ACE 446 HA2 ACE 446 19.519 0.784 -20.996 2 H2 ACE 446 HA3 ACE 446 19.417 2.534 -21.197 3 H3 ACE 446 HA1 ACE 446 18.252 1.484 -22.004 4 H LYS 447 HN LYS 447 18.045 -0.271 -19.626 5 HA LYS 447 HA LYS 447 16.925 1.428 -17.544 6 HB2 LYS 447 HB2 LYS 447 15.279 0.214 -19.607 7 HB3 LYS 447 HB1 LYS 447 14.840 -0.372 -18.003 8 HG2 LYS 447 HG2 LYS 447 14.512 1.869 -17.187 9 HG3 LYS 447 HG1 LYS 447 15.198 2.562 -18.657 10 HD2 LYS 447 HD2 LYS 447 12.718 2.659 -18.669 11 HD3 LYS 447 HD1 LYS 447 13.339 1.653 -19.979 12 HE2 LYS 447 HE2 LYS 447 12.649 -0.326 -18.972 13 HE3 LYS 447 HE1 LYS 447 12.687 0.366 -17.350 14 HZ1 LYS 447 HZ1 LYS 447 10.449 -0.007 -18.732 15 HZ2 LYS 447 HZ2 LYS 447 10.816 1.582 -19.209 16 HZ3 LYS 447 HZ3 LYS 447 10.628 1.208 -17.562 17 H ASP 448 HN ASP 448 17.516 -1.800 -18.841 18 HA ASP 448 HA ASP 448 17.116 -3.156 -16.345 19 HB2 ASP 448 HB2 ASP 448 17.174 -4.016 -18.883 20 HB3 ASP 448 HB1 ASP 448 18.846 -4.358 -18.441 21 H GLN 449 HN GLN 449 19.629 -1.259 -17.631 22 HA GLN 449 HA GLN 449 21.727 -2.547 -16.057 23 HB2 GLN 449 HB2 GLN 449 21.608 -0.574 -18.245 24 HB3 GLN 449 HB1 GLN 449 22.860 -0.272 -17.039 25 HG2 GLN 449 HG2 GLN 449 23.848 -2.413 -17.379 26 HG3 GLN 449 HG1 GLN 449 22.452 -2.995 -18.283 27 HE21 GLN 449 HE21 GLN 449 25.471 -2.495 -18.996 28 HE22 GLN 449 HE22 GLN 449 25.371 -1.654 -20.467 29 H PHE 450 HN PHE 450 19.465 0.025 -15.805 30 HA PHE 450 HA PHE 450 20.957 1.399 -13.702 31 HB2 PHE 450 HB2 PHE 450 18.188 1.958 -14.788 32 HB3 PHE 450 HB1 PHE 450 19.133 3.010 -13.735 33 HD1 PHE 450 HD1 PHE 450 19.220 1.313 -17.067 34 HD2 PHE 450 HD2 PHE 450 20.655 4.558 -14.644 35 HE1 PHE 450 HE1 PHE 450 20.338 2.300 -19.050 36 HE2 PHE 450 HE2 PHE 450 21.773 5.544 -16.627 37 HZ PHE 450 HZ PHE 450 21.614 4.415 -18.830 38 H ILE 451 HN ILE 451 18.353 -0.876 -14.095 39 HA ILE 451 HA ILE 451 17.121 -0.582 -11.565 40 HB ILE 451 HB ILE 451 17.248 -2.794 -13.595 41 HG12 ILE 451 HG12 ILE 451 14.776 -1.544 -12.447 42 HG13 ILE 451 HG11 ILE 451 15.753 -0.600 -13.572 43 HG21 ILE 451 HG21 ILE 451 16.225 -2.900 -10.764 44 HG22 ILE 451 HG22 ILE 451 17.154 -4.110 -11.648 45 HG23 ILE 451 HG23 ILE 451 15.451 -3.855 -12.027 46 HD11 ILE 451 HD11 ILE 451 15.323 -2.013 -15.350 47 HD12 ILE 451 HD12 ILE 451 13.823 -2.216 -14.446 48 HD13 ILE 451 HD13 ILE 451 15.103 -3.421 -14.314 49 H ILE 452 HN ILE 452 19.484 -3.021 -12.687 50 HA ILE 452 HA ILE 452 19.913 -4.313 -10.273 51 HB ILE 452 HB ILE 452 22.298 -4.665 -11.236 52 HG12 ILE 452 HG12 ILE 452 20.950 -3.474 -13.674 53 HG13 ILE 452 HG11 ILE 452 22.089 -2.571 -12.676 54 HG21 ILE 452 HG21 ILE 452 20.705 -6.409 -11.471 55 HG22 ILE 452 HG22 ILE 452 21.270 -6.097 -13.113 56 HG23 ILE 452 HG23 ILE 452 19.714 -5.463 -12.580 57 HD11 ILE 452 HD11 ILE 452 23.864 -3.634 -13.580 58 HD12 ILE 452 HD12 ILE 452 22.750 -4.249 -14.801 59 HD13 ILE 452 HD13 ILE 452 23.109 -5.215 -13.370 60 H ALA 453 HN ALA 453 21.358 -1.324 -11.491 61 HA ALA 453 HA ALA 453 23.299 -0.972 -9.483 62 HB1 ALA 453 HB1 ALA 453 21.937 0.764 -11.470 63 HB2 ALA 453 HB2 ALA 453 23.658 0.535 -11.164 64 HB3 ALA 453 HB3 ALA 453 22.704 1.574 -10.104 65 H TYR 454 HN TYR 454 19.889 -0.054 -9.654 66 HA TYR 454 HA TYR 454 19.927 1.327 -7.123 67 HB2 TYR 454 HB2 TYR 454 17.916 0.679 -9.206 68 HB3 TYR 454 HB1 TYR 454 17.305 0.905 -7.569 69 HD1 TYR 454 HD2 TYR 454 19.653 2.484 -10.031 70 HD2 TYR 454 HD1 TYR 454 16.875 3.077 -6.808 71 HE1 TYR 454 HE2 TYR 454 19.871 4.941 -10.295 72 HE2 TYR 454 HE1 TYR 454 17.093 5.532 -7.071 73 HH TYR 454 HH TYR 454 18.764 7.142 -7.977 74 H GLY 455 HN GLY 455 19.826 -1.917 -8.084 75 HA2 GLY 455 HA2 GLY 455 19.630 -3.864 -6.868 76 HA3 GLY 455 HA1 GLY 455 19.593 -2.876 -5.411 77 H GLY 456 HN GLY 456 17.434 -3.147 -8.240 78 HA2 GLY 456 HA2 GLY 456 15.157 -3.452 -8.390 79 HA3 GLY 456 HA1 GLY 456 15.334 -4.510 -6.993 80 H LEU 457 HN LEU 457 16.540 -1.517 -6.198 81 HA LEU 457 HA LEU 457 14.450 -0.956 -4.355 82 HB2 LEU 457 HB2 LEU 457 16.837 -0.300 -4.027 83 HB3 LEU 457 HB1 LEU 457 16.655 0.882 -5.318 84 HG LEU 457 HG LEU 457 14.827 1.979 -4.027 85 HD11 LEU 457 HD11 LEU 457 15.402 -0.317 -2.198 86 HD12 LEU 457 HD12 LEU 457 13.866 0.459 -2.579 87 HD13 LEU 457 HD13 LEU 457 14.991 1.234 -1.467 88 HD21 LEU 457 HD21 LEU 457 17.627 1.956 -3.472 89 HD22 LEU 457 HD22 LEU 457 16.776 2.131 -1.937 90 HD23 LEU 457 HD23 LEU 457 16.484 3.280 -3.242 91 H ARG 458 HN ARG 458 15.467 0.611 -7.384 92 HA ARG 458 HA ARG 458 14.273 1.839 -8.919 93 HB2 ARG 458 HB2 ARG 458 12.376 0.097 -7.886 94 HB3 ARG 458 HB1 ARG 458 11.651 1.684 -7.643 95 HG2 ARG 458 HG2 ARG 458 11.004 0.907 -9.841 96 HG3 ARG 458 HG1 ARG 458 12.159 2.221 -10.046 97 HD2 ARG 458 HD2 ARG 458 13.601 0.873 -11.126 98 HD3 ARG 458 HD1 ARG 458 13.541 -0.322 -9.836 99 HE ARG 458 HE ARG 458 12.096 -0.412 -12.324 100 HH11 ARG 458 HH21 ARG 458 12.097 -1.308 -8.983 101 HH12 ARG 458 HH22 ARG 458 11.068 -2.683 -9.208 102 HH21 ARG 458 HH11 ARG 458 10.749 -2.215 -12.629 103 HH22 ARG 458 HH12 ARG 458 10.306 -3.196 -11.273 104 H GLY 459 HN GLY 459 13.410 2.312 -5.522 105 HA2 GLY 459 HA2 GLY 459 13.563 4.283 -4.285 106 HA3 GLY 459 HA1 GLY 459 13.924 5.159 -5.770 107 H ALA 460 HN ALA 460 11.292 3.216 -6.323 108 HA ALA 460 HA ALA 460 9.350 5.275 -5.479 109 HB1 ALA 460 HB1 ALA 460 9.894 4.220 -8.215 110 HB2 ALA 460 HB2 ALA 460 9.403 5.838 -7.708 111 HB3 ALA 460 HB3 ALA 460 8.216 4.535 -7.772 112 H ILE 461 HN ILE 461 10.025 1.942 -6.336 113 HA ILE 461 HA ILE 461 7.367 0.989 -5.800 114 HB ILE 461 HB ILE 461 10.027 -0.262 -6.373 115 HG12 ILE 461 HG12 ILE 461 8.797 -1.245 -8.216 116 HG13 ILE 461 HG11 ILE 461 7.261 -0.712 -7.533 117 HG21 ILE 461 HG21 ILE 461 7.648 -1.589 -5.076 118 HG22 ILE 461 HG22 ILE 461 9.354 -1.734 -4.653 119 HG23 ILE 461 HG23 ILE 461 8.741 -2.498 -6.118 120 HD11 ILE 461 HD11 ILE 461 9.406 1.298 -8.171 121 HD12 ILE 461 HD12 ILE 461 7.664 1.541 -8.053 122 HD13 ILE 461 HD13 ILE 461 8.346 0.700 -9.445 123 H ALA 462 HN ALA 462 10.428 1.098 -4.016 124 HA ALA 462 HA ALA 462 9.700 -0.392 -1.775 125 HB1 ALA 462 HB1 ALA 462 11.776 1.523 -2.471 126 HB2 ALA 462 HB2 ALA 462 11.859 0.115 -1.413 127 HB3 ALA 462 HB3 ALA 462 11.294 1.661 -0.780 128 H PHE 463 HN PHE 463 8.947 2.917 -2.652 129 HA PHE 463 HA PHE 463 7.735 3.462 -0.052 130 HB2 PHE 463 HB2 PHE 463 8.425 5.521 -0.623 131 HB3 PHE 463 HB1 PHE 463 8.699 5.038 -2.296 132 HD1 PHE 463 HD1 PHE 463 6.125 6.194 0.119 133 HD2 PHE 463 HD2 PHE 463 7.085 5.484 -4.006 134 HE1 PHE 463 HE1 PHE 463 4.065 7.394 -0.567 135 HE2 PHE 463 HE2 PHE 463 5.025 6.682 -4.693 136 HZ PHE 463 HZ PHE 463 3.515 7.637 -2.974 137 H SER 464 HN SER 464 6.748 3.122 -3.450 138 HA SER 464 HA SER 464 4.027 3.653 -3.177 139 HB2 SER 464 HB2 SER 464 5.252 3.285 -5.337 140 HB3 SER 464 HB1 SER 464 5.239 1.558 -4.992 141 HG SER 464 HG SER 464 2.959 3.247 -5.171 142 H LEU 465 HN LEU 465 5.838 0.702 -2.501 143 HA LEU 465 HA LEU 465 3.383 -0.729 -1.822 144 HB2 LEU 465 HB2 LEU 465 4.638 -2.365 -2.727 145 HB3 LEU 465 HB1 LEU 465 6.126 -1.449 -2.550 146 HG LEU 465 HG LEU 465 4.798 -2.875 -0.220 147 HD11 LEU 465 HD11 LEU 465 6.635 -3.876 -2.360 148 HD12 LEU 465 HD12 LEU 465 5.284 -4.691 -1.572 149 HD13 LEU 465 HD13 LEU 465 6.813 -4.494 -0.718 150 HD21 LEU 465 HD21 LEU 465 6.492 -1.962 0.973 151 HD22 LEU 465 HD22 LEU 465 7.010 -1.077 -0.462 152 HD23 LEU 465 HD23 LEU 465 7.667 -2.678 -0.127 153 H GLY 466 HN GLY 466 5.978 0.999 -0.320 154 HA2 GLY 466 HA2 GLY 466 5.371 -0.058 2.339 155 HA3 GLY 466 HA1 GLY 466 6.651 1.082 1.936 156 H TYR 467 HN TYR 467 3.956 2.126 0.363 157 HA TYR 467 HA TYR 467 3.498 4.225 2.333 158 HB2 TYR 467 HB2 TYR 467 3.539 5.285 0.318 159 HB3 TYR 467 HB1 TYR 467 3.004 3.855 -0.563 160 HD1 TYR 467 HD2 TYR 467 1.776 6.419 1.878 161 HD2 TYR 467 HD1 TYR 467 0.783 3.701 -1.297 162 HE1 TYR 467 HE2 TYR 467 -0.539 7.308 1.841 163 HE2 TYR 467 HE1 TYR 467 -1.532 4.591 -1.334 164 HH TYR 467 HH TYR 467 -2.463 7.334 -0.250 165 H LEU 468 HN LEU 468 1.746 1.580 0.780 166 HA LEU 468 HA LEU 468 -0.813 2.195 1.819 167 HB2 LEU 468 HB2 LEU 468 0.336 -0.490 1.021 168 HB3 LEU 468 HB1 LEU 468 -1.375 -0.133 1.255 169 HG LEU 468 HG LEU 468 -0.435 1.869 -0.481 170 HD11 LEU 468 HD11 LEU 468 1.560 0.341 -0.797 171 HD12 LEU 468 HD12 LEU 468 0.658 0.682 -2.273 172 HD13 LEU 468 HD13 LEU 468 0.450 -0.864 -1.448 173 HD21 LEU 468 HD21 LEU 468 -2.662 0.782 -0.483 174 HD22 LEU 468 HD22 LEU 468 -1.930 -0.702 -1.092 175 HD23 LEU 468 HD23 LEU 468 -1.933 0.752 -2.089 176 H LEU 469 HN LEU 469 1.003 -0.710 2.753 177 HA LEU 469 HA LEU 469 -0.227 -1.214 5.144 178 HB2 LEU 469 HB2 LEU 469 1.841 -2.375 5.837 179 HB3 LEU 469 HB1 LEU 469 1.420 -2.735 4.162 180 HG LEU 469 HG LEU 469 2.988 -0.479 3.904 181 HD11 LEU 469 HD11 LEU 469 4.889 -0.680 5.322 182 HD12 LEU 469 HD12 LEU 469 4.374 -2.258 5.917 183 HD13 LEU 469 HD13 LEU 469 3.499 -0.806 6.399 184 HD21 LEU 469 HD21 LEU 469 4.758 -2.152 3.201 185 HD22 LEU 469 HD22 LEU 469 3.175 -2.416 2.473 186 HD23 LEU 469 HD23 LEU 469 3.705 -3.424 3.819 187 H ASP 470 HN ASP 470 1.785 1.442 4.397 188 HA ASP 470 HA ASP 470 2.536 2.001 7.151 189 HB2 ASP 470 HB2 ASP 470 4.167 2.706 5.616 190 HB3 ASP 470 HB1 ASP 470 2.969 3.390 4.519 191 H LYS 471 HN LYS 471 0.334 3.316 4.698 192 HA LYS 471 HA LYS 471 -0.889 5.037 6.756 193 HB2 LYS 471 HB2 LYS 471 -1.036 5.080 3.736 194 HB3 LYS 471 HB1 LYS 471 -2.006 6.121 4.779 195 HG2 LYS 471 HG2 LYS 471 0.846 6.118 5.473 196 HG3 LYS 471 HG1 LYS 471 0.524 6.725 3.849 197 HD2 LYS 471 HD2 LYS 471 -1.107 8.321 4.737 198 HD3 LYS 471 HD1 LYS 471 -0.870 7.685 6.365 199 HE2 LYS 471 HE2 LYS 471 1.534 8.623 4.850 200 HE3 LYS 471 HE1 LYS 471 0.454 9.837 5.537 201 HZ1 LYS 471 HZ1 LYS 471 0.636 8.554 7.672 202 HZ2 LYS 471 HZ2 LYS 471 2.050 9.356 7.179 203 HZ3 LYS 471 HZ3 LYS 471 1.900 7.678 6.960 204 H LYS 472 HN LYS 472 -1.960 3.083 3.963 205 HA LYS 472 HA LYS 472 -4.636 2.852 4.718 206 HB2 LYS 472 HB2 LYS 472 -3.693 2.224 2.486 207 HB3 LYS 472 HB1 LYS 472 -3.000 0.785 3.229 208 HG2 LYS 472 HG2 LYS 472 -5.124 0.197 2.184 209 HG3 LYS 472 HG1 LYS 472 -5.286 0.077 3.933 210 HD2 LYS 472 HD2 LYS 472 -6.684 1.905 4.069 211 HD3 LYS 472 HD1 LYS 472 -5.958 2.701 2.674 212 HE2 LYS 472 HE2 LYS 472 -7.048 1.097 1.167 213 HE3 LYS 472 HE1 LYS 472 -7.744 0.253 2.550 214 HZ1 LYS 472 HZ1 LYS 472 -8.630 2.628 3.103 215 HZ2 LYS 472 HZ2 LYS 472 -9.447 1.642 1.987 216 HZ3 LYS 472 HZ3 LYS 472 -8.422 2.881 1.439 217 HN1 NH2 473 H1 NH2 473 -5.252 2.108 6.756 218 HN2 NH2 473 H2 NH2 473 -4.675 0.681 7.473 Start of MODEL 22 1 H1 ACE 446 HA2 ACE 446 20.787 -0.027 -19.990 2 H2 ACE 446 HA3 ACE 446 20.797 1.716 -20.257 3 H3 ACE 446 HA1 ACE 446 19.736 0.683 -21.215 4 H LYS 447 HN LYS 447 17.840 -0.146 -20.280 5 HA LYS 447 HA LYS 447 16.820 1.427 -18.048 6 HB2 LYS 447 HB2 LYS 447 15.588 0.834 -20.268 7 HB3 LYS 447 HB1 LYS 447 15.274 -0.711 -19.477 8 HG2 LYS 447 HG2 LYS 447 14.371 0.595 -17.503 9 HG3 LYS 447 HG1 LYS 447 14.480 2.043 -18.505 10 HD2 LYS 447 HD2 LYS 447 12.306 1.416 -18.978 11 HD3 LYS 447 HD1 LYS 447 13.151 0.514 -20.235 12 HE2 LYS 447 HE2 LYS 447 13.314 -1.326 -18.323 13 HE3 LYS 447 HE1 LYS 447 11.895 -0.480 -17.708 14 HZ1 LYS 447 HZ1 LYS 447 12.122 -1.375 -20.521 15 HZ2 LYS 447 HZ2 LYS 447 10.727 -0.871 -19.691 16 HZ3 LYS 447 HZ3 LYS 447 11.461 -2.355 -19.304 17 H ASP 448 HN ASP 448 17.879 -1.822 -18.736 18 HA ASP 448 HA ASP 448 16.871 -2.780 -16.145 19 HB2 ASP 448 HB2 ASP 448 17.458 -5.002 -16.934 20 HB3 ASP 448 HB1 ASP 448 16.501 -4.180 -18.164 21 H GLN 449 HN GLN 449 19.594 -1.390 -17.490 22 HA GLN 449 HA GLN 449 21.516 -2.761 -15.773 23 HB2 GLN 449 HB2 GLN 449 22.906 -2.251 -17.444 24 HB3 GLN 449 HB1 GLN 449 21.627 -1.356 -18.253 25 HG2 GLN 449 HG2 GLN 449 22.204 0.655 -16.929 26 HG3 GLN 449 HG1 GLN 449 23.503 -0.253 -16.142 27 HE21 GLN 449 HE21 GLN 449 25.103 -1.309 -17.828 28 HE22 GLN 449 HE22 GLN 449 25.506 -0.344 -19.165 29 H PHE 450 HN PHE 450 19.521 0.018 -15.796 30 HA PHE 450 HA PHE 450 21.091 1.463 -13.815 31 HB2 PHE 450 HB2 PHE 450 19.979 3.211 -14.663 32 HB3 PHE 450 HB1 PHE 450 19.050 2.124 -15.692 33 HD1 PHE 450 HD2 PHE 450 19.171 3.701 -12.325 34 HD2 PHE 450 HD1 PHE 450 16.782 1.576 -15.194 35 HE1 PHE 450 HE2 PHE 450 17.143 4.147 -10.968 36 HE2 PHE 450 HE1 PHE 450 14.754 2.024 -13.836 37 HZ PHE 450 HZ PHE 450 14.935 3.309 -11.724 38 H ILE 451 HN ILE 451 18.632 -0.911 -13.915 39 HA ILE 451 HA ILE 451 17.489 -0.310 -11.326 40 HB ILE 451 HB ILE 451 17.165 -2.503 -13.350 41 HG12 ILE 451 HG12 ILE 451 15.043 -0.906 -11.921 42 HG13 ILE 451 HG11 ILE 451 15.928 -0.210 -13.281 43 HG21 ILE 451 HG21 ILE 451 15.434 -3.400 -11.625 44 HG22 ILE 451 HG22 ILE 451 16.411 -2.545 -10.433 45 HG23 ILE 451 HG23 ILE 451 17.131 -3.829 -11.405 46 HD11 ILE 451 HD11 ILE 451 15.062 -1.747 -14.805 47 HD12 ILE 451 HD12 ILE 451 13.690 -1.524 -13.720 48 HD13 ILE 451 HD13 ILE 451 14.720 -2.946 -13.557 49 H ILE 452 HN ILE 452 19.604 -2.854 -12.660 50 HA ILE 452 HA ILE 452 20.050 -4.309 -10.335 51 HB ILE 452 HB ILE 452 22.099 -5.092 -11.379 52 HG12 ILE 452 HG12 ILE 452 22.320 -3.712 -13.776 53 HG13 ILE 452 HG11 ILE 452 21.976 -2.433 -12.611 54 HG21 ILE 452 HG21 ILE 452 19.546 -5.091 -12.586 55 HG22 ILE 452 HG22 ILE 452 20.857 -6.236 -12.869 56 HG23 ILE 452 HG23 ILE 452 20.698 -4.808 -13.890 57 HD11 ILE 452 HD11 ILE 452 24.191 -4.495 -12.421 58 HD12 ILE 452 HD12 ILE 452 23.804 -3.327 -11.157 59 HD13 ILE 452 HD13 ILE 452 24.386 -2.769 -12.725 60 H ALA 453 HN ALA 453 21.169 -1.162 -11.227 61 HA ALA 453 HA ALA 453 23.317 -1.096 -9.278 62 HB1 ALA 453 HB1 ALA 453 23.977 0.776 -10.356 63 HB2 ALA 453 HB2 ALA 453 22.356 1.469 -10.336 64 HB3 ALA 453 HB3 ALA 453 22.803 0.306 -11.584 65 H TYR 454 HN TYR 454 19.932 -0.381 -9.385 66 HA TYR 454 HA TYR 454 20.087 0.596 -6.607 67 HB2 TYR 454 HB2 TYR 454 18.448 1.832 -8.831 68 HB3 TYR 454 HB1 TYR 454 18.306 2.249 -7.123 69 HD1 TYR 454 HD2 TYR 454 20.564 2.877 -5.914 70 HD2 TYR 454 HD1 TYR 454 19.960 3.023 -10.165 71 HE1 TYR 454 HE2 TYR 454 22.472 4.447 -6.131 72 HE2 TYR 454 HE1 TYR 454 21.868 4.592 -10.382 73 HH TYR 454 HH TYR 454 23.274 6.155 -7.700 74 H GLY 455 HN GLY 455 17.293 0.391 -8.753 75 HA2 GLY 455 HA2 GLY 455 15.468 -0.709 -7.095 76 HA3 GLY 455 HA1 GLY 455 15.519 -1.109 -8.807 77 H GLY 456 HN GLY 456 18.265 -2.319 -8.358 78 HA2 GLY 456 HA2 GLY 456 17.282 -4.934 -7.418 79 HA3 GLY 456 HA1 GLY 456 18.658 -4.681 -8.488 80 H LEU 457 HN LEU 457 19.791 -2.518 -6.913 81 HA LEU 457 HA LEU 457 21.276 -4.116 -5.033 82 HB2 LEU 457 HB2 LEU 457 22.495 -2.455 -6.261 83 HB3 LEU 457 HB1 LEU 457 21.370 -1.188 -5.785 84 HG LEU 457 HG LEU 457 22.111 -1.278 -3.494 85 HD11 LEU 457 HD11 LEU 457 24.043 -2.922 -2.966 86 HD12 LEU 457 HD12 LEU 457 23.512 -3.791 -4.406 87 HD13 LEU 457 HD13 LEU 457 22.409 -3.581 -3.046 88 HD21 LEU 457 HD21 LEU 457 24.460 -0.673 -3.737 89 HD22 LEU 457 HD22 LEU 457 23.562 -0.059 -5.124 90 HD23 LEU 457 HD23 LEU 457 24.547 -1.514 -5.285 91 H ARG 458 HN ARG 458 19.844 -0.908 -4.477 92 HA ARG 458 HA ARG 458 18.500 -0.118 -2.777 93 HB2 ARG 458 HB2 ARG 458 17.574 -2.656 -3.076 94 HB3 ARG 458 HB1 ARG 458 18.169 -2.719 -1.417 95 HG2 ARG 458 HG2 ARG 458 15.953 -1.959 -1.167 96 HG3 ARG 458 HG1 ARG 458 16.902 -0.474 -1.104 97 HD2 ARG 458 HD2 ARG 458 15.476 0.242 -2.722 98 HD3 ARG 458 HD1 ARG 458 16.484 -0.720 -3.797 99 HE ARG 458 HE ARG 458 14.701 -2.173 -4.040 100 HH11 ARG 458 HH21 ARG 458 14.365 -0.304 -1.147 101 HH12 ARG 458 HH22 ARG 458 12.792 -0.920 -0.766 102 HH21 ARG 458 HH11 ARG 458 12.638 -2.987 -3.546 103 HH22 ARG 458 HH12 ARG 458 11.814 -2.440 -2.125 104 H GLY 459 HN GLY 459 20.988 -2.484 -2.042 105 HA2 GLY 459 HA2 GLY 459 22.799 -2.235 -0.592 106 HA3 GLY 459 HA1 GLY 459 22.083 -0.740 0.004 107 H ALA 460 HN ALA 460 19.477 -2.286 0.346 108 HA ALA 460 HA ALA 460 20.152 -3.410 2.987 109 HB1 ALA 460 HB1 ALA 460 18.367 -2.279 3.725 110 HB2 ALA 460 HB2 ALA 460 17.331 -3.142 2.589 111 HB3 ALA 460 HB3 ALA 460 18.115 -1.641 2.099 112 H ILE 461 HN ILE 461 18.893 -4.188 -0.133 113 HA ILE 461 HA ILE 461 17.787 -6.741 0.754 114 HB ILE 461 HB ILE 461 17.797 -5.191 -1.811 115 HG12 ILE 461 HG12 ILE 461 15.403 -5.521 -1.640 116 HG13 ILE 461 HG11 ILE 461 15.610 -6.692 -0.338 117 HG21 ILE 461 HG21 ILE 461 18.398 -7.291 -2.704 118 HG22 ILE 461 HG22 ILE 461 16.636 -7.304 -2.770 119 HG23 ILE 461 HG23 ILE 461 17.474 -8.174 -1.487 120 HD11 ILE 461 HD11 ILE 461 16.244 -5.044 1.213 121 HD12 ILE 461 HD12 ILE 461 14.977 -4.242 0.285 122 HD13 ILE 461 HD13 ILE 461 16.671 -3.889 -0.049 123 H ALA 462 HN ALA 462 20.519 -5.456 -1.068 124 HA ALA 462 HA ALA 462 21.537 -7.913 -2.021 125 HB1 ALA 462 HB1 ALA 462 22.827 -5.246 -1.447 126 HB2 ALA 462 HB2 ALA 462 22.379 -5.927 -3.012 127 HB3 ALA 462 HB3 ALA 462 23.729 -6.610 -2.107 128 H PHE 463 HN PHE 463 21.721 -6.325 1.075 129 HA PHE 463 HA PHE 463 23.896 -7.965 2.053 130 HB2 PHE 463 HB2 PHE 463 24.011 -6.181 3.413 131 HB3 PHE 463 HB1 PHE 463 22.386 -5.653 2.970 132 HD1 PHE 463 HD1 PHE 463 24.335 -7.848 5.232 133 HD2 PHE 463 HD2 PHE 463 20.468 -6.223 4.306 134 HE1 PHE 463 HE1 PHE 463 23.473 -8.662 7.411 135 HE2 PHE 463 HE2 PHE 463 19.606 -7.036 6.486 136 HZ PHE 463 HZ PHE 463 21.109 -8.255 8.039 137 H SER 464 HN SER 464 20.406 -7.695 2.740 138 HA SER 464 HA SER 464 20.247 -9.853 4.532 139 HB2 SER 464 HB2 SER 464 18.371 -8.464 4.526 140 HB3 SER 464 HB1 SER 464 18.260 -8.453 2.768 141 HG SER 464 HG SER 464 16.877 -10.007 3.056 142 H LEU 465 HN LEU 465 20.837 -9.835 1.190 143 HA LEU 465 HA LEU 465 19.724 -12.494 0.724 144 HB2 LEU 465 HB2 LEU 465 20.615 -10.264 -0.924 145 HB3 LEU 465 HB1 LEU 465 21.255 -11.806 -1.490 146 HG LEU 465 HG LEU 465 18.988 -12.763 -1.494 147 HD11 LEU 465 HD11 LEU 465 17.323 -10.522 -1.301 148 HD12 LEU 465 HD12 LEU 465 18.449 -10.352 0.045 149 HD13 LEU 465 HD13 LEU 465 17.478 -11.814 -0.110 150 HD21 LEU 465 HD21 LEU 465 20.004 -11.212 -3.389 151 HD22 LEU 465 HD22 LEU 465 18.682 -10.143 -2.921 152 HD23 LEU 465 HD23 LEU 465 18.336 -11.775 -3.496 153 H GLY 466 HN GLY 466 22.927 -10.927 0.537 154 HA2 GLY 466 HA2 GLY 466 24.278 -13.485 0.383 155 HA3 GLY 466 HA1 GLY 466 25.040 -11.900 0.432 156 H TYR 467 HN TYR 467 23.032 -11.577 2.868 157 HA TYR 467 HA TYR 467 24.896 -11.710 4.919 158 HB2 TYR 467 HB2 TYR 467 23.120 -10.553 5.709 159 HB3 TYR 467 HB1 TYR 467 21.970 -11.461 4.727 160 HD1 TYR 467 HD2 TYR 467 24.214 -11.851 7.700 161 HD2 TYR 467 HD1 TYR 467 20.591 -13.064 5.738 162 HE1 TYR 467 HE2 TYR 467 23.601 -13.217 9.678 163 HE2 TYR 467 HE1 TYR 467 19.977 -14.429 7.715 164 HH TYR 467 HH TYR 467 20.451 -14.737 9.953 165 H LEU 468 HN LEU 468 22.626 -14.185 3.801 166 HA LEU 468 HA LEU 468 23.089 -16.047 5.878 167 HB2 LEU 468 HB2 LEU 468 22.234 -16.535 3.014 168 HB3 LEU 468 HB1 LEU 468 22.105 -17.698 4.335 169 HG LEU 468 HG LEU 468 20.921 -15.351 5.318 170 HD11 LEU 468 HD11 LEU 468 19.217 -14.839 3.605 171 HD12 LEU 468 HD12 LEU 468 20.008 -15.951 2.487 172 HD13 LEU 468 HD13 LEU 468 20.839 -14.485 3.008 173 HD21 LEU 468 HD21 LEU 468 20.150 -17.583 5.848 174 HD22 LEU 468 HD22 LEU 468 19.766 -17.905 4.158 175 HD23 LEU 468 HD23 LEU 468 18.817 -16.730 5.070 176 H LEU 469 HN LEU 469 24.134 -16.451 2.493 177 HA LEU 469 HA LEU 469 26.043 -18.410 2.982 178 HB2 LEU 469 HB2 LEU 469 27.146 -17.281 0.833 179 HB3 LEU 469 HB1 LEU 469 25.668 -18.231 0.729 180 HG LEU 469 HG LEU 469 25.377 -15.321 1.336 181 HD11 LEU 469 HD11 LEU 469 27.027 -15.216 -0.427 182 HD12 LEU 469 HD12 LEU 469 25.454 -14.844 -1.135 183 HD13 LEU 469 HD13 LEU 469 26.168 -16.440 -1.365 184 HD21 LEU 469 HD21 LEU 469 23.287 -15.612 0.357 185 HD22 LEU 469 HD22 LEU 469 23.571 -17.247 0.954 186 HD23 LEU 469 HD23 LEU 469 23.863 -16.865 -0.742 187 H ASP 470 HN ASP 470 26.118 -15.187 3.954 188 HA ASP 470 HA ASP 470 29.045 -15.024 3.978 189 HB2 ASP 470 HB2 ASP 470 26.849 -13.071 4.651 190 HB3 ASP 470 HB1 ASP 470 28.538 -12.748 5.029 191 H LYS 471 HN LYS 471 26.300 -15.389 6.139 192 HA LYS 471 HA LYS 471 28.158 -15.668 8.426 193 HB2 LYS 471 HB2 LYS 471 25.182 -15.106 8.475 194 HB3 LYS 471 HB1 LYS 471 26.271 -15.130 9.863 195 HG2 LYS 471 HG2 LYS 471 26.476 -13.228 7.507 196 HG3 LYS 471 HG1 LYS 471 25.837 -12.815 9.097 197 HD2 LYS 471 HD2 LYS 471 28.163 -13.756 9.932 198 HD3 LYS 471 HD1 LYS 471 28.665 -13.382 8.283 199 HE2 LYS 471 HE2 LYS 471 27.593 -11.496 10.383 200 HE3 LYS 471 HE1 LYS 471 29.116 -11.399 9.501 201 HZ1 LYS 471 HZ1 LYS 471 27.382 -11.373 7.490 202 HZ2 LYS 471 HZ2 LYS 471 27.953 -9.963 8.246 203 HZ3 LYS 471 HZ3 LYS 471 26.445 -10.613 8.682 204 H LYS 472 HN LYS 472 25.093 -16.965 7.135 205 HA LYS 472 HA LYS 472 24.694 -19.152 8.698 206 HB2 LYS 472 HB2 LYS 472 23.665 -18.300 6.317 207 HB3 LYS 472 HB1 LYS 472 24.491 -19.778 5.825 208 HG2 LYS 472 HG2 LYS 472 22.470 -19.542 8.076 209 HG3 LYS 472 HG1 LYS 472 22.176 -20.271 6.498 210 HD2 LYS 472 HD2 LYS 472 24.330 -21.700 7.166 211 HD3 LYS 472 HD1 LYS 472 23.778 -21.311 8.794 212 HE2 LYS 472 HE2 LYS 472 21.520 -22.180 8.206 213 HE3 LYS 472 HE1 LYS 472 22.136 -22.640 6.619 214 HZ1 LYS 472 HZ1 LYS 472 22.459 -23.947 9.146 215 HZ2 LYS 472 HZ2 LYS 472 23.942 -23.701 8.353 216 HZ3 LYS 472 HZ3 LYS 472 22.691 -24.553 7.578 217 HN1 NH2 473 H1 NH2 473 26.650 -19.416 5.669 218 HN2 NH2 473 H2 NH2 473 27.645 -20.658 6.260 Start of MODEL 23 1 H1 ACE 446 HA2 ACE 446 20.511 1.046 -20.345 2 H2 ACE 446 HA3 ACE 446 19.815 2.292 -21.380 3 H3 ACE 446 HA1 ACE 446 19.707 0.595 -21.848 4 H LYS 447 HN LYS 447 18.994 -0.511 -19.365 5 HA LYS 447 HA LYS 447 16.627 0.856 -18.389 6 HB2 LYS 447 HB2 LYS 447 16.020 -0.431 -20.560 7 HB3 LYS 447 HB1 LYS 447 16.228 -1.878 -19.580 8 HG2 LYS 447 HG2 LYS 447 13.915 -1.350 -19.403 9 HG3 LYS 447 HG1 LYS 447 14.635 -0.800 -17.891 10 HD2 LYS 447 HD2 LYS 447 14.822 1.354 -19.765 11 HD3 LYS 447 HD1 LYS 447 13.176 0.734 -19.816 12 HE2 LYS 447 HE2 LYS 447 14.653 1.463 -17.272 13 HE3 LYS 447 HE1 LYS 447 13.483 2.502 -18.083 14 HZ1 LYS 447 HZ1 LYS 447 12.098 1.444 -16.661 15 HZ2 LYS 447 HZ2 LYS 447 13.057 0.042 -16.571 16 HZ3 LYS 447 HZ3 LYS 447 12.053 0.306 -17.916 17 H ASP 448 HN ASP 448 17.703 -2.540 -18.561 18 HA ASP 448 HA ASP 448 17.139 -3.052 -15.825 19 HB2 ASP 448 HB2 ASP 448 17.850 -4.563 -18.081 20 HB3 ASP 448 HB1 ASP 448 19.141 -4.833 -16.911 21 H GLN 449 HN GLN 449 19.917 -1.807 -17.510 22 HA GLN 449 HA GLN 449 21.861 -2.339 -15.493 23 HB2 GLN 449 HB2 GLN 449 21.709 -0.557 -17.894 24 HB3 GLN 449 HB1 GLN 449 22.999 -0.305 -16.719 25 HG2 GLN 449 HG2 GLN 449 22.478 -3.103 -17.620 26 HG3 GLN 449 HG1 GLN 449 23.279 -2.016 -18.751 27 HE21 GLN 449 HE21 GLN 449 23.521 -3.034 -15.294 28 HE22 GLN 449 HE22 GLN 449 25.216 -2.954 -15.245 29 H PHE 450 HN PHE 450 19.257 -0.170 -15.653 30 HA PHE 450 HA PHE 450 20.473 1.809 -13.881 31 HB2 PHE 450 HB2 PHE 450 17.781 1.587 -15.223 32 HB3 PHE 450 HB1 PHE 450 18.131 2.823 -14.015 33 HD1 PHE 450 HD1 PHE 450 20.040 4.430 -14.403 34 HD2 PHE 450 HD2 PHE 450 18.599 1.772 -17.454 35 HE1 PHE 450 HE1 PHE 450 21.168 5.805 -16.133 36 HE2 PHE 450 HE2 PHE 450 19.726 3.147 -19.184 37 HZ PHE 450 HZ PHE 450 21.010 5.163 -18.523 38 H ILE 451 HN ILE 451 17.908 -0.639 -13.832 39 HA ILE 451 HA ILE 451 17.199 -0.150 -11.091 40 HB ILE 451 HB ILE 451 16.589 -2.452 -12.959 41 HG12 ILE 451 HG12 ILE 451 14.519 -0.569 -11.960 42 HG13 ILE 451 HG11 ILE 451 15.686 0.103 -13.101 43 HG21 ILE 451 HG21 ILE 451 14.666 -2.470 -11.005 44 HG22 ILE 451 HG22 ILE 451 16.103 -2.042 -10.078 45 HG23 ILE 451 HG23 ILE 451 16.074 -3.531 -11.023 46 HD11 ILE 451 HD11 ILE 451 15.076 -1.394 -14.804 47 HD12 ILE 451 HD12 ILE 451 13.530 -1.020 -14.044 48 HD13 ILE 451 HD13 ILE 451 14.352 -2.535 -13.670 49 H ILE 452 HN ILE 452 18.940 -2.776 -12.765 50 HA ILE 452 HA ILE 452 19.623 -4.282 -10.515 51 HB ILE 452 HB ILE 452 20.985 -3.905 -13.181 52 HG12 ILE 452 HG12 ILE 452 19.579 -6.312 -11.997 53 HG13 ILE 452 HG11 ILE 452 18.736 -5.086 -12.943 54 HG21 ILE 452 HG21 ILE 452 22.795 -4.539 -11.798 55 HG22 ILE 452 HG22 ILE 452 22.202 -6.068 -12.446 56 HG23 ILE 452 HG23 ILE 452 21.781 -5.585 -10.804 57 HD11 ILE 452 HD11 ILE 452 19.529 -7.096 -14.272 58 HD12 ILE 452 HD12 ILE 452 21.180 -6.563 -13.951 59 HD13 ILE 452 HD13 ILE 452 20.087 -5.537 -14.880 60 H ALA 453 HN ALA 453 20.558 -1.150 -11.297 61 HA ALA 453 HA ALA 453 23.163 -1.291 -9.984 62 HB1 ALA 453 HB1 ALA 453 22.496 1.394 -10.430 63 HB2 ALA 453 HB2 ALA 453 21.838 0.522 -11.814 64 HB3 ALA 453 HB3 ALA 453 23.552 0.387 -11.421 65 H TYR 454 HN TYR 454 19.891 -0.170 -9.376 66 HA TYR 454 HA TYR 454 20.642 0.311 -6.566 67 HB2 TYR 454 HB2 TYR 454 18.749 2.096 -8.105 68 HB3 TYR 454 HB1 TYR 454 19.365 2.336 -6.470 69 HD1 TYR 454 HD2 TYR 454 22.071 2.178 -6.349 70 HD2 TYR 454 HD1 TYR 454 19.773 3.353 -9.783 71 HE1 TYR 454 HE2 TYR 454 24.040 3.384 -7.255 72 HE2 TYR 454 HE1 TYR 454 21.742 4.557 -10.689 73 HH TYR 454 HH TYR 454 24.556 4.139 -10.160 74 H GLY 455 HN GLY 455 17.622 0.689 -8.407 75 HA2 GLY 455 HA2 GLY 455 15.821 -0.242 -6.606 76 HA3 GLY 455 HA1 GLY 455 15.651 -0.536 -8.335 77 H GLY 456 HN GLY 456 18.203 -2.129 -8.294 78 HA2 GLY 456 HA2 GLY 456 17.001 -4.640 -7.318 79 HA3 GLY 456 HA1 GLY 456 18.222 -4.517 -8.580 80 H LEU 457 HN LEU 457 20.200 -3.063 -7.565 81 HA LEU 457 HA LEU 457 21.717 -4.737 -6.022 82 HB2 LEU 457 HB2 LEU 457 22.753 -2.854 -7.077 83 HB3 LEU 457 HB1 LEU 457 21.751 -1.718 -6.176 84 HG LEU 457 HG LEU 457 22.860 -2.263 -4.104 85 HD11 LEU 457 HD11 LEU 457 24.035 -4.517 -5.731 86 HD12 LEU 457 HD12 LEU 457 23.190 -4.602 -4.185 87 HD13 LEU 457 HD13 LEU 457 24.826 -3.949 -4.262 88 HD21 LEU 457 HD21 LEU 457 25.189 -2.236 -5.985 89 HD22 LEU 457 HD22 LEU 457 24.903 -1.262 -4.543 90 HD23 LEU 457 HD23 LEU 457 24.051 -0.890 -6.043 91 H ARG 458 HN ARG 458 20.220 -1.788 -4.671 92 HA ARG 458 HA ARG 458 20.600 -2.205 -2.013 93 HB2 ARG 458 HB2 ARG 458 18.426 -0.916 -3.582 94 HB3 ARG 458 HB1 ARG 458 18.104 -1.223 -1.878 95 HG2 ARG 458 HG2 ARG 458 19.088 1.005 -2.156 96 HG3 ARG 458 HG1 ARG 458 20.207 -0.038 -1.281 97 HD2 ARG 458 HD2 ARG 458 21.437 -0.479 -3.376 98 HD3 ARG 458 HD1 ARG 458 20.309 0.547 -4.255 99 HE ARG 458 HE ARG 458 21.354 2.426 -3.331 100 HH11 ARG 458 HH21 ARG 458 22.431 -0.518 -1.864 101 HH12 ARG 458 HH22 ARG 458 23.758 0.220 -1.032 102 HH21 ARG 458 HH11 ARG 458 23.094 3.400 -2.245 103 HH22 ARG 458 HH12 ARG 458 24.134 2.440 -1.248 104 H GLY 459 HN GLY 459 18.668 -4.116 -4.113 105 HA2 GLY 459 HA2 GLY 459 16.951 -5.269 -2.127 106 HA3 GLY 459 HA1 GLY 459 17.224 -5.884 -3.754 107 H ALA 460 HN ALA 460 19.772 -5.272 -1.411 108 HA ALA 460 HA ALA 460 20.088 -8.167 -0.969 109 HB1 ALA 460 HB1 ALA 460 22.522 -7.957 -1.338 110 HB2 ALA 460 HB2 ALA 460 22.292 -6.278 -1.829 111 HB3 ALA 460 HB3 ALA 460 21.605 -7.581 -2.798 112 H ILE 461 HN ILE 461 21.569 -5.024 -0.142 113 HA ILE 461 HA ILE 461 22.610 -5.691 2.333 114 HB ILE 461 HB ILE 461 21.557 -3.131 1.175 115 HG12 ILE 461 HG12 ILE 461 23.932 -2.503 1.377 116 HG13 ILE 461 HG11 ILE 461 24.276 -4.036 2.179 117 HG21 ILE 461 HG21 ILE 461 22.620 -2.096 3.312 118 HG22 ILE 461 HG22 ILE 461 22.347 -3.684 4.030 119 HG23 ILE 461 HG23 ILE 461 20.983 -2.744 3.426 120 HD11 ILE 461 HD11 ILE 461 24.779 -3.947 -0.326 121 HD12 ILE 461 HD12 ILE 461 23.034 -3.897 -0.574 122 HD13 ILE 461 HD13 ILE 461 23.773 -5.292 0.213 123 H ALA 462 HN ALA 462 19.309 -4.775 1.481 124 HA ALA 462 HA ALA 462 18.292 -4.506 4.099 125 HB1 ALA 462 HB1 ALA 462 17.215 -3.884 1.822 126 HB2 ALA 462 HB2 ALA 462 16.167 -4.473 3.114 127 HB3 ALA 462 HB3 ALA 462 16.652 -5.555 1.810 128 H PHE 463 HN PHE 463 19.005 -7.285 2.130 129 HA PHE 463 HA PHE 463 17.508 -9.110 3.838 130 HB2 PHE 463 HB2 PHE 463 17.481 -10.244 1.901 131 HB3 PHE 463 HB1 PHE 463 18.724 -9.204 1.207 132 HD1 PHE 463 HD2 PHE 463 18.171 -12.165 3.395 133 HD2 PHE 463 HD1 PHE 463 20.996 -9.905 1.076 134 HE1 PHE 463 HE2 PHE 463 19.841 -13.979 3.661 135 HE2 PHE 463 HE1 PHE 463 22.664 -11.720 1.342 136 HZ PHE 463 HZ PHE 463 22.087 -13.756 2.635 137 H SER 464 HN SER 464 20.897 -8.362 3.081 138 HA SER 464 HA SER 464 22.117 -10.305 4.685 139 HB2 SER 464 HB2 SER 464 23.149 -8.604 2.999 140 HB3 SER 464 HB1 SER 464 23.272 -7.546 4.402 141 HG SER 464 HG SER 464 24.439 -9.212 5.444 142 H LEU 465 HN LEU 465 20.467 -7.380 5.531 143 HA LEU 465 HA LEU 465 21.598 -7.254 8.207 144 HB2 LEU 465 HB2 LEU 465 19.909 -5.558 6.512 145 HB3 LEU 465 HB1 LEU 465 19.403 -5.592 8.203 146 HG LEU 465 HG LEU 465 21.663 -4.995 8.925 147 HD11 LEU 465 HD11 LEU 465 23.004 -4.201 6.632 148 HD12 LEU 465 HD12 LEU 465 22.264 -5.727 6.151 149 HD13 LEU 465 HD13 LEU 465 23.333 -5.670 7.552 150 HD21 LEU 465 HD21 LEU 465 21.801 -2.728 7.847 151 HD22 LEU 465 HD22 LEU 465 20.183 -3.134 8.419 152 HD23 LEU 465 HD23 LEU 465 20.565 -3.246 6.702 153 H GLY 466 HN GLY 466 18.489 -8.074 6.696 154 HA2 GLY 466 HA2 GLY 466 17.263 -8.793 9.210 155 HA3 GLY 466 HA1 GLY 466 16.572 -9.018 7.606 156 H TYR 467 HN TYR 467 19.613 -10.251 7.451 157 HA TYR 467 HA TYR 467 18.623 -12.987 7.663 158 HB2 TYR 467 HB2 TYR 467 19.895 -12.876 5.755 159 HB3 TYR 467 HB1 TYR 467 20.973 -11.647 6.416 160 HD1 TYR 467 HD1 TYR 467 20.017 -15.242 6.838 161 HD2 TYR 467 HD2 TYR 467 23.080 -12.260 7.252 162 HE1 TYR 467 HE1 TYR 467 21.648 -17.005 7.453 163 HE2 TYR 467 HE2 TYR 467 24.712 -14.022 7.868 164 HH TYR 467 HH TYR 467 23.923 -17.425 7.619 165 H LEU 468 HN LEU 468 20.997 -10.861 9.184 166 HA LEU 468 HA LEU 468 22.244 -12.816 10.804 167 HB2 LEU 468 HB2 LEU 468 21.923 -9.848 11.305 168 HB3 LEU 468 HB1 LEU 468 23.077 -10.912 12.108 169 HG LEU 468 HG LEU 468 23.069 -10.848 9.117 170 HD11 LEU 468 HD11 LEU 468 23.034 -8.492 9.591 171 HD12 LEU 468 HD12 LEU 468 24.708 -8.928 9.254 172 HD13 LEU 468 HD13 LEU 468 24.179 -8.685 10.920 173 HD21 LEU 468 HD21 LEU 468 25.477 -10.771 10.896 174 HD22 LEU 468 HD22 LEU 468 25.243 -11.615 9.364 175 HD23 LEU 468 HD23 LEU 468 24.523 -12.254 10.841 176 H LEU 469 HN LEU 469 20.279 -10.166 12.113 177 HA LEU 469 HA LEU 469 19.642 -11.290 14.530 178 HB2 LEU 469 HB2 LEU 469 17.751 -9.778 14.628 179 HB3 LEU 469 HB1 LEU 469 19.089 -8.959 13.819 180 HG LEU 469 HG LEU 469 17.798 -10.217 11.725 181 HD11 LEU 469 HD11 LEU 469 15.958 -10.718 13.441 182 HD12 LEU 469 HD12 LEU 469 15.448 -9.900 11.965 183 HD13 LEU 469 HD13 LEU 469 15.649 -8.983 13.458 184 HD21 LEU 469 HD21 LEU 469 17.581 -7.426 12.877 185 HD22 LEU 469 HD22 LEU 469 16.858 -7.865 11.327 186 HD23 LEU 469 HD23 LEU 469 18.603 -7.975 11.549 187 H ASP 470 HN ASP 470 18.595 -12.313 11.448 188 HA ASP 470 HA ASP 470 16.163 -13.604 12.336 189 HB2 ASP 470 HB2 ASP 470 16.005 -13.061 10.094 190 HB3 ASP 470 HB1 ASP 470 17.696 -13.444 9.773 191 H LYS 471 HN LYS 471 19.500 -14.537 11.650 192 HA LYS 471 HA LYS 471 18.898 -17.297 12.491 193 HB2 LYS 471 HB2 LYS 471 21.305 -16.129 11.076 194 HB3 LYS 471 HB1 LYS 471 21.139 -17.821 11.547 195 HG2 LYS 471 HG2 LYS 471 18.758 -17.057 10.163 196 HG3 LYS 471 HG1 LYS 471 20.139 -16.545 9.194 197 HD2 LYS 471 HD2 LYS 471 21.083 -18.792 9.273 198 HD3 LYS 471 HD1 LYS 471 19.790 -19.326 10.350 199 HE2 LYS 471 HE2 LYS 471 18.224 -19.394 8.667 200 HE3 LYS 471 HE1 LYS 471 18.974 -18.070 7.775 201 HZ1 LYS 471 HZ1 LYS 471 20.660 -20.376 7.966 202 HZ2 LYS 471 HZ2 LYS 471 20.204 -19.479 6.598 203 HZ3 LYS 471 HZ3 LYS 471 19.195 -20.714 7.182 204 H LYS 472 HN LYS 472 21.530 -14.912 12.892 205 HA LYS 472 HA LYS 472 22.303 -16.148 15.412 206 HB2 LYS 472 HB2 LYS 472 23.420 -13.765 13.916 207 HB3 LYS 472 HB1 LYS 472 24.113 -14.449 15.386 208 HG2 LYS 472 HG2 LYS 472 23.572 -16.329 13.135 209 HG3 LYS 472 HG1 LYS 472 24.928 -15.216 12.949 210 HD2 LYS 472 HD2 LYS 472 25.966 -16.013 14.966 211 HD3 LYS 472 HD1 LYS 472 24.532 -16.942 15.404 212 HE2 LYS 472 HE2 LYS 472 25.491 -17.638 12.742 213 HE3 LYS 472 HE1 LYS 472 26.731 -17.891 13.969 214 HZ1 LYS 472 HZ1 LYS 472 24.566 -19.516 13.422 215 HZ2 LYS 472 HZ2 LYS 472 24.214 -18.776 14.911 216 HZ3 LYS 472 HZ3 LYS 472 25.654 -19.658 14.716 217 HN1 NH2 473 H1 NH2 473 20.059 -15.504 16.363 218 HN2 NH2 473 H2 NH2 473 19.955 -13.964 17.070 Start of MODEL 24 1 H1 ACE 446 HA2 ACE 446 19.990 1.271 -21.212 2 H2 ACE 446 HA3 ACE 446 18.618 1.478 -22.299 3 H3 ACE 446 HA1 ACE 446 18.963 -0.107 -21.608 4 H LYS 447 HN LYS 447 17.979 -0.656 -19.742 5 HA LYS 447 HA LYS 447 17.009 1.418 -17.921 6 HB2 LYS 447 HB2 LYS 447 15.217 0.841 -19.692 7 HB3 LYS 447 HB1 LYS 447 15.086 -0.704 -18.850 8 HG2 LYS 447 HG2 LYS 447 14.876 0.761 -16.700 9 HG3 LYS 447 HG1 LYS 447 14.479 2.061 -17.825 10 HD2 LYS 447 HD2 LYS 447 12.355 1.248 -17.562 11 HD3 LYS 447 HD1 LYS 447 12.879 0.110 -18.803 12 HE2 LYS 447 HE2 LYS 447 12.025 -1.309 -17.139 13 HE3 LYS 447 HE1 LYS 447 13.755 -1.305 -16.793 14 HZ1 LYS 447 HZ1 LYS 447 11.742 -0.626 -15.062 15 HZ2 LYS 447 HZ2 LYS 447 12.424 0.864 -15.516 16 HZ3 LYS 447 HZ3 LYS 447 13.401 -0.350 -14.839 17 H ASP 448 HN ASP 448 17.447 -2.001 -18.677 18 HA ASP 448 HA ASP 448 17.004 -2.922 -15.999 19 HB2 ASP 448 HB2 ASP 448 16.841 -4.271 -18.184 20 HB3 ASP 448 HB1 ASP 448 18.598 -4.381 -18.097 21 H GLN 449 HN GLN 449 19.628 -1.440 -17.628 22 HA GLN 449 HA GLN 449 21.718 -2.543 -15.973 23 HB2 GLN 449 HB2 GLN 449 21.671 -0.176 -17.858 24 HB3 GLN 449 HB1 GLN 449 23.118 -0.776 -17.045 25 HG2 GLN 449 HG2 GLN 449 22.929 -2.919 -18.148 26 HG3 GLN 449 HG1 GLN 449 21.362 -2.484 -18.826 27 HE21 GLN 449 HE21 GLN 449 24.436 -0.604 -18.669 28 HE22 GLN 449 HE22 GLN 449 24.538 -0.360 -20.344 29 H PHE 450 HN PHE 450 19.420 -0.014 -15.703 30 HA PHE 450 HA PHE 450 20.956 1.451 -13.696 31 HB2 PHE 450 HB2 PHE 450 18.137 1.906 -14.701 32 HB3 PHE 450 HB1 PHE 450 19.073 3.004 -13.688 33 HD1 PHE 450 HD1 PHE 450 19.158 1.243 -16.989 34 HD2 PHE 450 HD2 PHE 450 20.493 4.601 -14.666 35 HE1 PHE 450 HE1 PHE 450 20.191 2.234 -19.014 36 HE2 PHE 450 HE2 PHE 450 21.525 5.592 -16.692 37 HZ PHE 450 HZ PHE 450 21.375 4.408 -18.866 38 H ILE 451 HN ILE 451 18.309 -0.824 -13.937 39 HA ILE 451 HA ILE 451 17.277 -0.510 -11.314 40 HB ILE 451 HB ILE 451 17.154 -2.704 -13.367 41 HG12 ILE 451 HG12 ILE 451 14.831 -1.322 -12.068 42 HG13 ILE 451 HG11 ILE 451 15.785 -0.434 -13.256 43 HG21 ILE 451 HG21 ILE 451 16.325 -2.766 -10.475 44 HG22 ILE 451 HG22 ILE 451 17.099 -4.028 -11.434 45 HG23 ILE 451 HG23 ILE 451 15.393 -3.655 -11.680 46 HD11 ILE 451 HD11 ILE 451 15.177 -1.830 -14.998 47 HD12 ILE 451 HD12 ILE 451 13.720 -1.931 -14.009 48 HD13 ILE 451 HD13 ILE 451 14.925 -3.217 -13.937 49 H ILE 452 HN ILE 452 19.358 -3.091 -12.648 50 HA ILE 452 HA ILE 452 19.952 -4.382 -10.261 51 HB ILE 452 HB ILE 452 21.973 -5.216 -11.407 52 HG12 ILE 452 HG12 ILE 452 21.250 -3.015 -13.359 53 HG13 ILE 452 HG11 ILE 452 22.783 -3.255 -12.519 54 HG21 ILE 452 HG21 ILE 452 19.561 -5.970 -11.947 55 HG22 ILE 452 HG22 ILE 452 20.819 -6.390 -13.108 56 HG23 ILE 452 HG23 ILE 452 19.740 -5.033 -13.431 57 HD11 ILE 452 HD11 ILE 452 21.652 -4.755 -14.858 58 HD12 ILE 452 HD12 ILE 452 22.752 -5.585 -13.756 59 HD13 ILE 452 HD13 ILE 452 23.285 -4.137 -14.614 60 H ALA 453 HN ALA 453 20.814 -1.250 -11.223 61 HA ALA 453 HA ALA 453 23.220 -1.132 -9.569 62 HB1 ALA 453 HB1 ALA 453 23.718 0.814 -10.657 63 HB2 ALA 453 HB2 ALA 453 22.035 1.338 -10.714 64 HB3 ALA 453 HB3 ALA 453 22.623 0.136 -11.862 65 H TYR 454 HN TYR 454 19.838 -0.377 -9.405 66 HA TYR 454 HA TYR 454 20.189 0.491 -6.627 67 HB2 TYR 454 HB2 TYR 454 18.517 2.077 -8.584 68 HB3 TYR 454 HB1 TYR 454 18.831 2.462 -6.892 69 HD1 TYR 454 HD1 TYR 454 21.376 2.640 -6.220 70 HD2 TYR 454 HD2 TYR 454 19.886 3.024 -10.233 71 HE1 TYR 454 HE1 TYR 454 23.440 3.849 -6.872 72 HE2 TYR 454 HE2 TYR 454 21.950 4.233 -10.882 73 HH TYR 454 HH TYR 454 24.037 4.783 -10.239 74 H GLY 455 HN GLY 455 17.684 0.137 -9.152 75 HA2 GLY 455 HA2 GLY 455 15.590 -0.580 -7.422 76 HA3 GLY 455 HA1 GLY 455 15.657 -0.952 -9.142 77 H GLY 456 HN GLY 456 18.379 -2.305 -8.248 78 HA2 GLY 456 HA2 GLY 456 17.155 -4.834 -7.307 79 HA3 GLY 456 HA1 GLY 456 18.341 -4.799 -8.608 80 H LEU 457 HN LEU 457 19.483 -2.436 -6.817 81 HA LEU 457 HA LEU 457 21.607 -3.944 -5.708 82 HB2 LEU 457 HB2 LEU 457 21.505 -1.437 -6.419 83 HB3 LEU 457 HB1 LEU 457 20.901 -1.154 -4.802 84 HG LEU 457 HG LEU 457 23.240 -0.834 -4.656 85 HD11 LEU 457 HD11 LEU 457 22.254 -2.326 -2.882 86 HD12 LEU 457 HD12 LEU 457 23.989 -2.496 -3.114 87 HD13 LEU 457 HD13 LEU 457 22.895 -3.704 -3.777 88 HD21 LEU 457 HD21 LEU 457 24.604 -1.716 -6.211 89 HD22 LEU 457 HD22 LEU 457 23.326 -2.795 -6.763 90 HD23 LEU 457 HD23 LEU 457 24.403 -3.299 -5.463 91 H ARG 458 HN ARG 458 19.718 -1.720 -3.712 92 HA ARG 458 HA ARG 458 19.276 -1.885 -1.451 93 HB2 ARG 458 HB2 ARG 458 17.705 -4.008 -2.875 94 HB3 ARG 458 HB1 ARG 458 17.554 -3.822 -1.129 95 HG2 ARG 458 HG2 ARG 458 15.849 -2.483 -2.321 96 HG3 ARG 458 HG1 ARG 458 16.960 -1.451 -1.421 97 HD2 ARG 458 HD2 ARG 458 17.620 -2.111 -4.264 98 HD3 ARG 458 HD1 ARG 458 16.360 -0.922 -3.952 99 HE ARG 458 HE ARG 458 19.166 -0.518 -3.634 100 HH11 ARG 458 HH21 ARG 458 16.070 0.192 -2.263 101 HH12 ARG 458 HH22 ARG 458 16.575 1.687 -1.549 102 HH21 ARG 458 HH11 ARG 458 19.837 1.441 -2.699 103 HH22 ARG 458 HH12 ARG 458 18.707 2.393 -1.796 104 H GLY 459 HN GLY 459 21.658 -2.577 -1.205 105 HA2 GLY 459 HA2 GLY 459 21.868 -5.352 -0.227 106 HA3 GLY 459 HA1 GLY 459 23.225 -4.309 -0.647 107 H ALA 460 HN ALA 460 21.665 -2.087 0.802 108 HA ALA 460 HA ALA 460 22.293 -2.907 3.574 109 HB1 ALA 460 HB1 ALA 460 22.962 -0.405 3.816 110 HB2 ALA 460 HB2 ALA 460 23.132 -0.448 2.061 111 HB3 ALA 460 HB3 ALA 460 24.108 -1.518 3.069 112 H ILE 461 HN ILE 461 20.018 -1.763 1.417 113 HA ILE 461 HA ILE 461 18.556 -0.124 3.342 114 HB ILE 461 HB ILE 461 18.236 -0.789 0.433 115 HG12 ILE 461 HG12 ILE 461 18.183 1.667 0.264 116 HG13 ILE 461 HG11 ILE 461 18.230 1.798 2.023 117 HG21 ILE 461 HG21 ILE 461 16.119 0.153 2.363 118 HG22 ILE 461 HG22 ILE 461 15.991 -1.063 1.092 119 HG23 ILE 461 HG23 ILE 461 16.077 0.647 0.671 120 HD11 ILE 461 HD11 ILE 461 20.444 1.083 2.154 121 HD12 ILE 461 HD12 ILE 461 20.464 1.985 0.639 122 HD13 ILE 461 HD13 ILE 461 20.363 0.225 0.615 123 H ALA 462 HN ALA 462 18.382 -3.284 1.800 124 HA ALA 462 HA ALA 462 15.776 -3.946 2.774 125 HB1 ALA 462 HB1 ALA 462 17.725 -6.114 2.212 126 HB2 ALA 462 HB2 ALA 462 17.352 -5.022 0.879 127 HB3 ALA 462 HB3 ALA 462 16.059 -5.925 1.667 128 H PHE 463 HN PHE 463 19.016 -4.164 4.045 129 HA PHE 463 HA PHE 463 18.366 -5.991 6.173 130 HB2 PHE 463 HB2 PHE 463 20.602 -6.140 6.146 131 HB3 PHE 463 HB1 PHE 463 20.730 -4.707 5.127 132 HD1 PHE 463 HD2 PHE 463 20.352 -5.845 8.654 133 HD2 PHE 463 HD1 PHE 463 21.376 -2.605 6.028 134 HE1 PHE 463 HE2 PHE 463 21.179 -4.537 10.592 135 HE2 PHE 463 HE1 PHE 463 22.204 -1.296 7.965 136 HZ PHE 463 HZ PHE 463 22.105 -2.263 10.248 137 H SER 464 HN SER 464 19.186 -2.514 6.096 138 HA SER 464 HA SER 464 18.674 -1.941 8.774 139 HB2 SER 464 HB2 SER 464 18.833 -0.388 6.266 140 HB3 SER 464 HB1 SER 464 17.918 0.371 7.566 141 HG SER 464 HG SER 464 19.708 0.645 8.638 142 H LEU 465 HN LEU 465 16.511 -3.025 6.452 143 HA LEU 465 HA LEU 465 14.178 -1.656 7.544 144 HB2 LEU 465 HB2 LEU 465 14.820 -3.058 5.105 145 HB3 LEU 465 HB1 LEU 465 13.354 -3.725 5.824 146 HG LEU 465 HG LEU 465 12.414 -1.443 6.009 147 HD11 LEU 465 HD11 LEU 465 14.081 0.004 4.248 148 HD12 LEU 465 HD12 LEU 465 15.159 -0.744 5.426 149 HD13 LEU 465 HD13 LEU 465 13.844 0.297 5.972 150 HD21 LEU 465 HD21 LEU 465 11.734 -2.524 4.029 151 HD22 LEU 465 HD22 LEU 465 13.355 -2.472 3.335 152 HD23 LEU 465 HD23 LEU 465 12.391 -0.997 3.438 153 H GLY 466 HN GLY 466 14.997 -5.085 6.968 154 HA2 GLY 466 HA2 GLY 466 13.073 -6.045 8.846 155 HA3 GLY 466 HA1 GLY 466 14.341 -6.997 8.079 156 H TYR 467 HN TYR 467 15.830 -4.379 9.415 157 HA TYR 467 HA TYR 467 16.773 -5.962 11.682 158 HB2 TYR 467 HB2 TYR 467 18.628 -5.022 10.710 159 HB3 TYR 467 HB1 TYR 467 17.754 -3.588 10.175 160 HD1 TYR 467 HD2 TYR 467 19.047 -5.300 13.234 161 HD2 TYR 467 HD1 TYR 467 17.822 -1.596 11.437 162 HE1 TYR 467 HE2 TYR 467 19.845 -4.065 15.232 163 HE2 TYR 467 HE1 TYR 467 18.619 -0.362 13.433 164 HH TYR 467 HH TYR 467 19.434 -1.923 16.353 165 H LEU 468 HN LEU 468 15.001 -2.992 11.012 166 HA LEU 468 HA LEU 468 15.003 -1.968 13.653 167 HB2 LEU 468 HB2 LEU 468 12.982 -1.547 11.439 168 HB3 LEU 468 HB1 LEU 468 13.153 -0.551 12.884 169 HG LEU 468 HG LEU 468 15.578 -0.988 11.188 170 HD11 LEU 468 HD11 LEU 468 14.916 0.959 9.783 171 HD12 LEU 468 HD12 LEU 468 13.312 0.909 10.515 172 HD13 LEU 468 HD13 LEU 468 13.876 -0.442 9.530 173 HD21 LEU 468 HD21 LEU 468 16.295 0.981 12.184 174 HD22 LEU 468 HD22 LEU 468 15.239 0.360 13.451 175 HD23 LEU 468 HD23 LEU 468 14.657 1.613 12.355 176 H LEU 469 HN LEU 469 12.070 -3.069 11.986 177 HA LEU 469 HA LEU 469 10.503 -3.552 14.172 178 HB2 LEU 469 HB2 LEU 469 9.389 -5.349 12.724 179 HB3 LEU 469 HB1 LEU 469 9.479 -3.722 12.047 180 HG LEU 469 HG LEU 469 11.862 -5.310 11.448 181 HD11 LEU 469 HD11 LEU 469 9.171 -6.243 10.401 182 HD12 LEU 469 HD12 LEU 469 10.236 -7.159 11.467 183 HD13 LEU 469 HD13 LEU 469 10.739 -6.796 9.816 184 HD21 LEU 469 HD21 LEU 469 11.368 -4.470 9.180 185 HD22 LEU 469 HD22 LEU 469 11.252 -3.170 10.364 186 HD23 LEU 469 HD23 LEU 469 9.785 -3.913 9.727 187 H ASP 470 HN ASP 470 13.310 -5.263 13.267 188 HA ASP 470 HA ASP 470 12.602 -7.695 14.708 189 HB2 ASP 470 HB2 ASP 470 13.950 -7.963 12.724 190 HB3 ASP 470 HB1 ASP 470 15.142 -6.812 13.325 191 H LYS 471 HN LYS 471 14.785 -4.925 15.066 192 HA LYS 471 HA LYS 471 15.411 -5.807 17.811 193 HB2 LYS 471 HB2 LYS 471 16.769 -3.794 16.003 194 HB3 LYS 471 HB1 LYS 471 17.245 -4.122 17.670 195 HG2 LYS 471 HG2 LYS 471 16.987 -6.618 16.273 196 HG3 LYS 471 HG1 LYS 471 18.022 -5.541 15.333 197 HD2 LYS 471 HD2 LYS 471 19.440 -5.141 17.280 198 HD3 LYS 471 HD1 LYS 471 18.371 -6.116 18.290 199 HE2 LYS 471 HE2 LYS 471 19.032 -8.117 17.293 200 HE3 LYS 471 HE1 LYS 471 19.551 -7.322 15.807 201 HZ1 LYS 471 HZ1 LYS 471 21.340 -8.134 17.408 202 HZ2 LYS 471 HZ2 LYS 471 20.909 -6.808 18.380 203 HZ3 LYS 471 HZ3 LYS 471 21.490 -6.557 16.803 204 H LYS 472 HN LYS 472 14.816 -2.753 16.057 205 HA LYS 472 HA LYS 472 14.006 -0.731 16.848 206 HB2 LYS 472 HB2 LYS 472 12.033 -2.810 16.900 207 HB3 LYS 472 HB1 LYS 472 11.710 -1.679 18.214 208 HG2 LYS 472 HG2 LYS 472 12.221 -0.840 15.346 209 HG3 LYS 472 HG1 LYS 472 10.615 -1.034 16.049 210 HD2 LYS 472 HD2 LYS 472 10.733 0.976 17.057 211 HD3 LYS 472 HD1 LYS 472 12.299 0.587 17.768 212 HE2 LYS 472 HE2 LYS 472 13.463 1.285 15.777 213 HE3 LYS 472 HE1 LYS 472 11.950 1.446 14.885 214 HZ1 LYS 472 HZ1 LYS 472 12.826 3.582 15.689 215 HZ2 LYS 472 HZ2 LYS 472 12.668 3.033 17.289 216 HZ3 LYS 472 HZ3 LYS 472 11.290 3.235 16.317 217 HN1 NH2 473 H1 NH2 473 15.460 0.008 18.487 218 HN2 NH2 473 H2 NH2 473 15.185 -0.265 20.140 Start of MODEL 25 1 H1 ACE 446 HA2 ACE 446 19.241 1.147 -20.759 2 H2 ACE 446 HA3 ACE 446 18.179 2.366 -21.464 3 H3 ACE 446 HA1 ACE 446 17.733 0.662 -21.534 4 H LYS 447 HN LYS 447 17.420 -0.431 -19.399 5 HA LYS 447 HA LYS 447 16.665 1.366 -17.208 6 HB2 LYS 447 HB2 LYS 447 14.796 -0.336 -18.801 7 HB3 LYS 447 HB1 LYS 447 14.521 -0.182 -17.065 8 HG2 LYS 447 HG2 LYS 447 14.373 2.215 -17.222 9 HG3 LYS 447 HG1 LYS 447 14.910 2.193 -18.902 10 HD2 LYS 447 HD2 LYS 447 12.452 2.476 -18.735 11 HD3 LYS 447 HD1 LYS 447 12.881 0.975 -19.556 12 HE2 LYS 447 HE2 LYS 447 12.264 -0.353 -17.738 13 HE3 LYS 447 HE1 LYS 447 12.462 0.964 -16.581 14 HZ1 LYS 447 HZ1 LYS 447 10.535 1.796 -18.375 15 HZ2 LYS 447 HZ2 LYS 447 10.299 1.324 -16.760 16 HZ3 LYS 447 HZ3 LYS 447 10.147 0.186 -18.011 17 H ASP 448 HN ASP 448 17.165 -1.911 -18.413 18 HA ASP 448 HA ASP 448 17.133 -3.153 -15.830 19 HB2 ASP 448 HB2 ASP 448 18.407 -4.177 -18.375 20 HB3 ASP 448 HB1 ASP 448 17.907 -5.129 -16.978 21 H GLN 449 HN GLN 449 19.372 -1.193 -17.438 22 HA GLN 449 HA GLN 449 21.722 -2.369 -16.170 23 HB2 GLN 449 HB2 GLN 449 21.339 0.022 -17.979 24 HB3 GLN 449 HB1 GLN 449 22.895 -0.430 -17.284 25 HG2 GLN 449 HG2 GLN 449 21.529 -2.706 -18.503 26 HG3 GLN 449 HG1 GLN 449 21.823 -1.408 -19.660 27 HE21 GLN 449 HE21 GLN 449 23.213 -4.184 -18.834 28 HE22 GLN 449 HE22 GLN 449 24.859 -3.768 -18.901 29 H PHE 450 HN PHE 450 19.396 0.105 -15.596 30 HA PHE 450 HA PHE 450 21.078 1.491 -13.648 31 HB2 PHE 450 HB2 PHE 450 18.189 1.986 -14.402 32 HB3 PHE 450 HB1 PHE 450 19.222 3.049 -13.444 33 HD1 PHE 450 HD1 PHE 450 18.978 1.401 -16.794 34 HD2 PHE 450 HD2 PHE 450 20.579 4.658 -14.497 35 HE1 PHE 450 HE1 PHE 450 19.831 2.449 -18.873 36 HE2 PHE 450 HE2 PHE 450 21.433 5.706 -16.576 37 HZ PHE 450 HZ PHE 450 21.059 4.600 -18.765 38 H ILE 451 HN ILE 451 18.312 -0.679 -13.786 39 HA ILE 451 HA ILE 451 17.547 -0.508 -11.068 40 HB ILE 451 HB ILE 451 17.166 -2.567 -13.224 41 HG12 ILE 451 HG12 ILE 451 15.026 -1.224 -11.606 42 HG13 ILE 451 HG11 ILE 451 15.874 -0.284 -12.836 43 HG21 ILE 451 HG21 ILE 451 17.277 -4.010 -11.376 44 HG22 ILE 451 HG22 ILE 451 15.562 -3.600 -11.436 45 HG23 ILE 451 HG23 ILE 451 16.621 -2.802 -10.273 46 HD11 ILE 451 HD11 ILE 451 15.088 -1.610 -14.583 47 HD12 ILE 451 HD12 ILE 451 13.708 -1.641 -13.485 48 HD13 ILE 451 HD13 ILE 451 14.822 -3.006 -13.540 49 H ILE 452 HN ILE 452 19.643 -2.841 -12.766 50 HA ILE 452 HA ILE 452 20.321 -4.533 -10.722 51 HB ILE 452 HB ILE 452 22.619 -4.633 -11.840 52 HG12 ILE 452 HG12 ILE 452 21.264 -2.747 -13.791 53 HG13 ILE 452 HG11 ILE 452 22.495 -2.237 -12.635 54 HG21 ILE 452 HG21 ILE 452 21.654 -5.616 -13.922 55 HG22 ILE 452 HG22 ILE 452 20.096 -4.903 -13.503 56 HG23 ILE 452 HG23 ILE 452 20.805 -6.144 -12.469 57 HD11 ILE 452 HD11 ILE 452 22.824 -4.280 -14.851 58 HD12 ILE 452 HD12 ILE 452 24.041 -3.954 -13.615 59 HD13 ILE 452 HD13 ILE 452 23.583 -2.689 -14.757 60 H ALA 453 HN ALA 453 21.375 -1.230 -11.228 61 HA ALA 453 HA ALA 453 23.317 -1.338 -9.065 62 HB1 ALA 453 HB1 ALA 453 23.164 1.275 -9.585 63 HB2 ALA 453 HB2 ALA 453 22.453 0.679 -11.084 64 HB3 ALA 453 HB3 ALA 453 24.078 0.176 -10.618 65 H TYR 454 HN TYR 454 20.076 -0.083 -9.669 66 HA TYR 454 HA TYR 454 19.707 0.218 -6.769 67 HB2 TYR 454 HB2 TYR 454 18.744 2.322 -8.703 68 HB3 TYR 454 HB1 TYR 454 18.788 2.401 -6.943 69 HD1 TYR 454 HD2 TYR 454 21.259 1.817 -5.958 70 HD2 TYR 454 HD1 TYR 454 20.414 3.517 -9.811 71 HE1 TYR 454 HE2 TYR 454 23.551 2.761 -6.045 72 HE2 TYR 454 HE1 TYR 454 22.705 4.459 -9.899 73 HH TYR 454 HH TYR 454 24.695 4.545 -8.909 74 H GLY 455 HN GLY 455 18.394 -1.606 -6.765 75 HA2 GLY 455 HA2 GLY 455 15.823 -1.698 -6.681 76 HA3 GLY 455 HA1 GLY 455 15.958 -1.512 -8.427 77 H GLY 456 HN GLY 456 18.572 -3.135 -8.139 78 HA2 GLY 456 HA2 GLY 456 17.292 -5.805 -8.012 79 HA3 GLY 456 HA1 GLY 456 18.524 -5.382 -9.194 80 H LEU 457 HN LEU 457 19.098 -3.939 -6.194 81 HA LEU 457 HA LEU 457 21.137 -5.982 -5.563 82 HB2 LEU 457 HB2 LEU 457 22.552 -4.295 -4.813 83 HB3 LEU 457 HB1 LEU 457 21.715 -3.493 -6.133 84 HG LEU 457 HG LEU 457 19.987 -2.794 -4.282 85 HD11 LEU 457 HD11 LEU 457 21.892 -4.157 -2.668 86 HD12 LEU 457 HD12 LEU 457 20.535 -3.175 -2.127 87 HD13 LEU 457 HD13 LEU 457 22.116 -2.438 -2.360 88 HD21 LEU 457 HD21 LEU 457 21.782 -0.901 -3.671 89 HD22 LEU 457 HD22 LEU 457 21.026 -0.997 -5.260 90 HD23 LEU 457 HD23 LEU 457 22.643 -1.657 -5.011 91 H ARG 458 HN ARG 458 18.430 -4.168 -4.316 92 HA ARG 458 HA ARG 458 18.841 -4.811 -1.569 93 HB2 ARG 458 HB2 ARG 458 16.612 -3.966 -1.200 94 HB3 ARG 458 HB1 ARG 458 17.434 -2.906 -2.336 95 HG2 ARG 458 HG2 ARG 458 15.514 -5.118 -3.151 96 HG3 ARG 458 HG1 ARG 458 15.071 -3.428 -2.986 97 HD2 ARG 458 HD2 ARG 458 15.530 -3.538 -5.253 98 HD3 ARG 458 HD1 ARG 458 17.092 -3.029 -4.627 99 HE ARG 458 HE ARG 458 17.949 -5.064 -5.331 100 HH11 ARG 458 HH21 ARG 458 14.506 -5.229 -5.027 101 HH12 ARG 458 HH22 ARG 458 14.387 -6.830 -5.676 102 HH21 ARG 458 HH11 ARG 458 17.802 -7.166 -6.179 103 HH22 ARG 458 HH12 ARG 458 16.253 -7.927 -6.328 104 H GLY 459 HN GLY 459 18.055 -6.698 -4.180 105 HA2 GLY 459 HA2 GLY 459 16.774 -8.728 -2.448 106 HA3 GLY 459 HA1 GLY 459 16.298 -8.482 -4.125 107 H ALA 460 HN ALA 460 19.628 -8.063 -3.509 108 HA ALA 460 HA ALA 460 20.193 -10.642 -4.818 109 HB1 ALA 460 HB1 ALA 460 21.099 -8.817 -6.061 110 HB2 ALA 460 HB2 ALA 460 22.458 -9.575 -5.231 111 HB3 ALA 460 HB3 ALA 460 21.771 -8.075 -4.609 112 H ILE 461 HN ILE 461 20.773 -8.773 -1.935 113 HA ILE 461 HA ILE 461 22.777 -10.655 -0.954 114 HB ILE 461 HB ILE 461 21.582 -8.119 0.168 115 HG12 ILE 461 HG12 ILE 461 23.933 -7.353 -0.024 116 HG13 ILE 461 HG11 ILE 461 24.385 -8.928 -0.679 117 HG21 ILE 461 HG21 ILE 461 21.940 -9.207 2.164 118 HG22 ILE 461 HG22 ILE 461 23.584 -8.639 1.870 119 HG23 ILE 461 HG23 ILE 461 23.139 -10.300 1.476 120 HD11 ILE 461 HD11 ILE 461 23.278 -8.560 -2.693 121 HD12 ILE 461 HD12 ILE 461 23.832 -6.930 -2.312 122 HD13 ILE 461 HD13 ILE 461 22.162 -7.392 -1.984 123 H ALA 462 HN ALA 462 19.546 -9.488 0.002 124 HA ALA 462 HA ALA 462 19.068 -11.042 2.214 125 HB1 ALA 462 HB1 ALA 462 17.549 -9.356 0.773 126 HB2 ALA 462 HB2 ALA 462 16.871 -10.464 1.965 127 HB3 ALA 462 HB3 ALA 462 16.845 -10.887 0.252 128 H PHE 463 HN PHE 463 19.207 -12.024 -1.132 129 HA PHE 463 HA PHE 463 18.160 -14.688 -0.535 130 HB2 PHE 463 HB2 PHE 463 17.435 -14.368 -2.645 131 HB3 PHE 463 HB1 PHE 463 18.585 -13.062 -2.932 132 HD1 PHE 463 HD1 PHE 463 18.044 -16.705 -3.074 133 HD2 PHE 463 HD2 PHE 463 20.808 -13.505 -3.826 134 HE1 PHE 463 HE1 PHE 463 19.467 -18.246 -4.398 135 HE2 PHE 463 HE2 PHE 463 22.230 -15.044 -5.151 136 HZ PHE 463 HZ PHE 463 21.559 -17.415 -5.437 137 H SER 464 HN SER 464 21.190 -13.052 -1.188 138 HA SER 464 HA SER 464 22.792 -15.312 -1.721 139 HB2 SER 464 HB2 SER 464 23.456 -12.924 -2.107 140 HB3 SER 464 HB1 SER 464 23.659 -12.751 -0.366 141 HG SER 464 HG SER 464 24.956 -14.895 -0.910 142 H LEU 465 HN LEU 465 21.850 -13.730 1.299 143 HA LEU 465 HA LEU 465 23.466 -15.584 2.870 144 HB2 LEU 465 HB2 LEU 465 22.798 -14.275 4.782 145 HB3 LEU 465 HB1 LEU 465 23.247 -13.164 3.489 146 HG LEU 465 HG LEU 465 20.557 -13.578 3.011 147 HD11 LEU 465 HD11 LEU 465 20.336 -14.779 5.165 148 HD12 LEU 465 HD12 LEU 465 19.448 -13.255 5.192 149 HD13 LEU 465 HD13 LEU 465 21.005 -13.383 6.009 150 HD21 LEU 465 HD21 LEU 465 20.345 -11.293 4.164 151 HD22 LEU 465 HD22 LEU 465 21.537 -11.407 2.871 152 HD23 LEU 465 HD23 LEU 465 22.057 -11.450 4.554 153 H GLY 466 HN GLY 466 20.210 -15.211 1.768 154 HA2 GLY 466 HA2 GLY 466 19.132 -17.086 3.733 155 HA3 GLY 466 HA1 GLY 466 18.222 -16.245 2.482 156 H TYR 467 HN TYR 467 20.929 -17.405 1.019 157 HA TYR 467 HA TYR 467 19.456 -19.650 -0.141 158 HB2 TYR 467 HB2 TYR 467 20.397 -18.417 -1.864 159 HB3 TYR 467 HB1 TYR 467 21.847 -18.033 -0.937 160 HD1 TYR 467 HD1 TYR 467 20.059 -20.776 -2.706 161 HD2 TYR 467 HD2 TYR 467 23.769 -19.437 -1.007 162 HE1 TYR 467 HE1 TYR 467 21.226 -22.713 -3.726 163 HE2 TYR 467 HE2 TYR 467 24.936 -21.375 -2.022 164 HH TYR 467 HH TYR 467 23.213 -24.003 -3.469 165 H LEU 468 HN LEU 468 22.436 -18.982 1.644 166 HA LEU 468 HA LEU 468 23.560 -21.560 1.505 167 HB2 LEU 468 HB2 LEU 468 23.813 -19.521 3.727 168 HB3 LEU 468 HB1 LEU 468 24.894 -20.885 3.442 169 HG LEU 468 HG LEU 468 24.409 -18.973 1.191 170 HD11 LEU 468 HD11 LEU 468 24.848 -17.471 3.053 171 HD12 LEU 468 HD12 LEU 468 26.289 -17.568 2.040 172 HD13 LEU 468 HD13 LEU 468 26.220 -18.456 3.563 173 HD21 LEU 468 HD21 LEU 468 26.741 -19.576 0.685 174 HD22 LEU 468 HD22 LEU 468 25.764 -21.029 0.896 175 HD23 LEU 468 HD23 LEU 468 26.839 -20.494 2.188 176 H LEU 469 HN LEU 469 22.348 -20.227 4.555 177 HA LEU 469 HA LEU 469 21.919 -22.553 5.907 178 HB2 LEU 469 HB2 LEU 469 20.203 -21.359 7.221 179 HB3 LEU 469 HB1 LEU 469 21.624 -20.353 6.938 180 HG LEU 469 HG LEU 469 20.057 -19.809 4.730 181 HD11 LEU 469 HD11 LEU 469 18.269 -20.028 7.171 182 HD12 LEU 469 HD12 LEU 469 18.171 -21.052 5.741 183 HD13 LEU 469 HD13 LEU 469 17.810 -19.331 5.619 184 HD21 LEU 469 HD21 LEU 469 21.265 -18.136 6.007 185 HD22 LEU 469 HD22 LEU 469 20.239 -18.410 7.416 186 HD23 LEU 469 HD23 LEU 469 19.565 -17.667 5.966 187 H ASP 470 HN ASP 470 20.168 -21.403 3.192 188 HA ASP 470 HA ASP 470 17.758 -22.899 3.635 189 HB2 ASP 470 HB2 ASP 470 18.858 -21.144 1.568 190 HB3 ASP 470 HB1 ASP 470 17.913 -22.479 0.913 191 H LYS 471 HN LYS 471 20.693 -23.385 1.694 192 HA LYS 471 HA LYS 471 19.795 -26.082 0.973 193 HB2 LYS 471 HB2 LYS 471 22.085 -24.337 0.072 194 HB3 LYS 471 HB1 LYS 471 21.983 -26.044 -0.359 195 HG2 LYS 471 HG2 LYS 471 19.546 -24.377 -0.787 196 HG3 LYS 471 HG1 LYS 471 20.897 -24.141 -1.895 197 HD2 LYS 471 HD2 LYS 471 20.915 -26.503 -2.466 198 HD3 LYS 471 HD1 LYS 471 19.684 -26.842 -1.249 199 HE2 LYS 471 HE2 LYS 471 17.986 -26.025 -2.546 200 HE3 LYS 471 HE1 LYS 471 18.991 -24.749 -3.234 201 HZ1 LYS 471 HZ1 LYS 471 18.567 -26.255 -4.968 202 HZ2 LYS 471 HZ2 LYS 471 18.902 -27.609 -3.997 203 HZ3 LYS 471 HZ3 LYS 471 20.160 -26.574 -4.480 204 H LYS 472 HN LYS 472 22.607 -24.497 2.490 205 HA LYS 472 HA LYS 472 23.970 -26.832 3.239 206 HB2 LYS 472 HB2 LYS 472 23.974 -23.993 4.178 207 HB3 LYS 472 HB1 LYS 472 24.808 -25.207 5.148 208 HG2 LYS 472 HG2 LYS 472 25.278 -25.154 2.187 209 HG3 LYS 472 HG1 LYS 472 26.089 -23.960 3.202 210 HD2 LYS 472 HD2 LYS 472 26.159 -26.811 4.090 211 HD3 LYS 472 HD1 LYS 472 27.183 -26.347 2.730 212 HE2 LYS 472 HE2 LYS 472 27.141 -24.946 5.420 213 HE3 LYS 472 HE1 LYS 472 28.361 -26.113 4.909 214 HZ1 LYS 472 HZ1 LYS 472 27.959 -24.068 2.964 215 HZ2 LYS 472 HZ2 LYS 472 29.395 -24.578 3.713 216 HZ3 LYS 472 HZ3 LYS 472 28.408 -23.416 4.462 217 HN1 NH2 473 H1 NH2 473 22.318 -24.752 5.669 218 HN2 NH2 473 H2 NH2 473 21.710 -26.051 6.575 Start of MODEL 26 1 H1 ACE 446 HA2 ACE 446 19.983 2.641 -19.465 2 H2 ACE 446 HA3 ACE 446 18.706 3.596 -20.220 3 H3 ACE 446 HA1 ACE 446 18.869 1.882 -20.603 4 H LYS 447 HN LYS 447 18.017 0.352 -19.218 5 HA LYS 447 HA LYS 447 16.695 1.319 -16.762 6 HB2 LYS 447 HB2 LYS 447 14.973 1.177 -18.479 7 HB3 LYS 447 HB1 LYS 447 15.472 -0.467 -18.877 8 HG2 LYS 447 HG2 LYS 447 14.484 -1.365 -17.018 9 HG3 LYS 447 HG1 LYS 447 14.845 0.043 -16.021 10 HD2 LYS 447 HD2 LYS 447 12.831 0.248 -18.248 11 HD3 LYS 447 HD1 LYS 447 12.360 -0.422 -16.685 12 HE2 LYS 447 HE2 LYS 447 12.553 1.591 -15.609 13 HE3 LYS 447 HE1 LYS 447 13.907 2.114 -16.611 14 HZ1 LYS 447 HZ1 LYS 447 11.602 3.217 -16.896 15 HZ2 LYS 447 HZ2 LYS 447 11.235 1.830 -17.806 16 HZ3 LYS 447 HZ3 LYS 447 12.520 2.840 -18.269 17 H ASP 448 HN ASP 448 16.881 -1.797 -18.481 18 HA ASP 448 HA ASP 448 17.097 -3.437 -16.274 19 HB2 ASP 448 HB2 ASP 448 18.675 -4.745 -18.083 20 HB3 ASP 448 HB1 ASP 448 16.913 -4.787 -18.077 21 H GLN 449 HN GLN 449 19.502 -1.364 -17.678 22 HA GLN 449 HA GLN 449 21.681 -2.615 -16.189 23 HB2 GLN 449 HB2 GLN 449 21.499 -0.402 -18.216 24 HB3 GLN 449 HB1 GLN 449 22.952 -0.606 -17.236 25 HG2 GLN 449 HG2 GLN 449 21.858 -3.064 -18.496 26 HG3 GLN 449 HG1 GLN 449 22.587 -1.884 -19.585 27 HE21 GLN 449 HE21 GLN 449 24.460 -3.276 -19.982 28 HE22 GLN 449 HE22 GLN 449 25.643 -3.514 -18.788 29 H PHE 450 HN PHE 450 19.380 -0.113 -15.814 30 HA PHE 450 HA PHE 450 20.971 1.355 -13.852 31 HB2 PHE 450 HB2 PHE 450 19.716 3.021 -14.684 32 HB3 PHE 450 HB1 PHE 450 18.614 1.888 -15.467 33 HD1 PHE 450 HD2 PHE 450 19.362 3.680 -12.312 34 HD2 PHE 450 HD1 PHE 450 16.556 1.204 -14.420 35 HE1 PHE 450 HE2 PHE 450 17.656 4.128 -10.568 36 HE2 PHE 450 HE1 PHE 450 14.850 1.651 -12.676 37 HZ PHE 450 HZ PHE 450 15.400 3.114 -10.750 38 H ILE 451 HN ILE 451 18.089 -0.700 -13.998 39 HA ILE 451 HA ILE 451 17.201 -0.510 -11.379 40 HB ILE 451 HB ILE 451 17.170 -2.740 -13.390 41 HG12 ILE 451 HG12 ILE 451 14.750 -1.620 -12.066 42 HG13 ILE 451 HG11 ILE 451 15.639 -0.528 -13.129 43 HG21 ILE 451 HG21 ILE 451 15.539 -3.814 -11.663 44 HG22 ILE 451 HG22 ILE 451 16.405 -2.839 -10.478 45 HG23 ILE 451 HG23 ILE 451 17.273 -4.039 -11.434 46 HD11 ILE 451 HD11 ILE 451 14.654 -3.293 -13.893 47 HD12 ILE 451 HD12 ILE 451 15.507 -2.170 -14.952 48 HD13 ILE 451 HD13 ILE 451 13.891 -1.775 -14.366 49 H ILE 452 HN ILE 452 19.255 -3.171 -12.589 50 HA ILE 452 HA ILE 452 19.965 -4.326 -10.215 51 HB ILE 452 HB ILE 452 21.991 -5.115 -11.308 52 HG12 ILE 452 HG12 ILE 452 21.419 -2.828 -13.210 53 HG13 ILE 452 HG11 ILE 452 22.876 -3.095 -12.253 54 HG21 ILE 452 HG21 ILE 452 19.609 -5.809 -12.075 55 HG22 ILE 452 HG22 ILE 452 20.967 -6.218 -13.123 56 HG23 ILE 452 HG23 ILE 452 19.944 -4.832 -13.505 57 HD11 ILE 452 HD11 ILE 452 23.502 -3.839 -14.397 58 HD12 ILE 452 HD12 ILE 452 21.933 -4.584 -14.695 59 HD13 ILE 452 HD13 ILE 452 23.062 -5.330 -13.565 60 H ALA 453 HN ALA 453 20.868 -1.211 -11.379 61 HA ALA 453 HA ALA 453 23.175 -0.889 -9.677 62 HB1 ALA 453 HB1 ALA 453 21.812 1.542 -10.626 63 HB2 ALA 453 HB2 ALA 453 22.267 0.413 -11.904 64 HB3 ALA 453 HB3 ALA 453 23.495 1.046 -10.807 65 H TYR 454 HN TYR 454 19.749 -0.048 -9.554 66 HA TYR 454 HA TYR 454 20.076 0.587 -6.694 67 HB2 TYR 454 HB2 TYR 454 18.424 2.184 -8.662 68 HB3 TYR 454 HB1 TYR 454 18.506 2.459 -6.921 69 HD1 TYR 454 HD2 TYR 454 21.007 2.619 -5.969 70 HD2 TYR 454 HD1 TYR 454 19.840 3.454 -10.017 71 HE1 TYR 454 HE2 TYR 454 23.047 3.997 -6.272 72 HE2 TYR 454 HE1 TYR 454 21.878 4.833 -10.321 73 HH TYR 454 HH TYR 454 24.419 4.906 -7.926 74 H GLY 455 HN GLY 455 17.496 0.340 -9.156 75 HA2 GLY 455 HA2 GLY 455 15.421 -0.500 -7.564 76 HA3 GLY 455 HA1 GLY 455 15.622 -1.010 -9.238 77 H GLY 456 HN GLY 456 18.336 -2.154 -8.156 78 HA2 GLY 456 HA2 GLY 456 17.247 -4.574 -6.860 79 HA3 GLY 456 HA1 GLY 456 18.264 -4.719 -8.291 80 H LEU 457 HN LEU 457 18.729 -2.300 -5.790 81 HA LEU 457 HA LEU 457 21.324 -3.549 -5.138 82 HB2 LEU 457 HB2 LEU 457 21.396 -1.259 -6.109 83 HB3 LEU 457 HB1 LEU 457 20.428 -0.680 -4.756 84 HG LEU 457 HG LEU 457 22.198 -1.439 -3.184 85 HD11 LEU 457 HD11 LEU 457 24.482 -1.802 -4.514 86 HD12 LEU 457 HD12 LEU 457 23.385 -2.421 -5.748 87 HD13 LEU 457 HD13 LEU 457 23.413 -3.155 -4.145 88 HD21 LEU 457 HD21 LEU 457 22.260 0.866 -3.893 89 HD22 LEU 457 HD22 LEU 457 23.033 0.429 -5.417 90 HD23 LEU 457 HD23 LEU 457 23.917 0.264 -3.899 91 H ARG 458 HN ARG 458 18.376 -2.183 -3.781 92 HA ARG 458 HA ARG 458 18.876 -1.942 -1.135 93 HB2 ARG 458 HB2 ARG 458 16.578 -2.564 -0.679 94 HB3 ARG 458 HB1 ARG 458 16.648 -1.617 -2.161 95 HG2 ARG 458 HG2 ARG 458 16.541 -4.655 -2.068 96 HG3 ARG 458 HG1 ARG 458 15.150 -3.615 -2.336 97 HD2 ARG 458 HD2 ARG 458 15.722 -4.045 -4.523 98 HD3 ARG 458 HD1 ARG 458 16.703 -2.612 -4.252 99 HE ARG 458 HE ARG 458 18.596 -3.951 -4.398 100 HH11 ARG 458 HH21 ARG 458 15.753 -5.861 -3.916 101 HH12 ARG 458 HH22 ARG 458 16.560 -7.373 -4.168 102 HH21 ARG 458 HH11 ARG 458 19.661 -5.927 -4.729 103 HH22 ARG 458 HH12 ARG 458 18.773 -7.410 -4.630 104 H GLY 459 HN GLY 459 19.056 -4.866 -2.954 105 HA2 GLY 459 HA2 GLY 459 18.787 -6.716 -0.803 106 HA3 GLY 459 HA1 GLY 459 19.520 -7.049 -2.369 107 H ALA 460 HN ALA 460 20.957 -4.346 -1.049 108 HA ALA 460 HA ALA 460 23.078 -5.923 0.277 109 HB1 ALA 460 HB1 ALA 460 23.601 -5.148 -2.123 110 HB2 ALA 460 HB2 ALA 460 24.780 -4.768 -0.869 111 HB3 ALA 460 HB3 ALA 460 23.671 -3.523 -1.444 112 H ILE 461 HN ILE 461 20.864 -3.421 0.471 113 HA ILE 461 HA ILE 461 22.444 -1.774 2.294 114 HB ILE 461 HB ILE 461 19.748 -1.525 1.003 115 HG12 ILE 461 HG12 ILE 461 20.692 0.653 0.333 116 HG13 ILE 461 HG11 ILE 461 22.140 0.322 1.285 117 HG21 ILE 461 HG21 ILE 461 19.609 0.642 2.435 118 HG22 ILE 461 HG22 ILE 461 20.721 -0.188 3.523 119 HG23 ILE 461 HG23 ILE 461 19.135 -0.882 3.186 120 HD11 ILE 461 HD11 ILE 461 21.197 -1.516 -0.925 121 HD12 ILE 461 HD12 ILE 461 22.772 -1.494 -0.131 122 HD13 ILE 461 HD13 ILE 461 22.311 -0.179 -1.213 123 H ALA 462 HN ALA 462 19.291 -3.447 2.403 124 HA ALA 462 HA ALA 462 18.741 -3.216 5.091 125 HB1 ALA 462 HB1 ALA 462 17.059 -4.201 3.783 126 HB2 ALA 462 HB2 ALA 462 17.633 -5.536 4.782 127 HB3 ALA 462 HB3 ALA 462 18.162 -5.400 3.104 128 H PHE 463 HN PHE 463 21.093 -5.262 3.522 129 HA PHE 463 HA PHE 463 21.609 -6.786 5.959 130 HB2 PHE 463 HB2 PHE 463 22.147 -8.312 4.401 131 HB3 PHE 463 HB1 PHE 463 22.168 -7.095 3.125 132 HD1 PHE 463 HD2 PHE 463 24.181 -8.616 5.860 133 HD2 PHE 463 HD1 PHE 463 24.216 -6.159 2.336 134 HE1 PHE 463 HE2 PHE 463 26.661 -8.682 5.837 135 HE2 PHE 463 HE1 PHE 463 26.695 -6.225 2.314 136 HZ PHE 463 HZ PHE 463 27.918 -7.485 4.065 137 H SER 464 HN SER 464 23.382 -4.561 3.807 138 HA SER 464 HA SER 464 25.772 -4.408 5.209 139 HB2 SER 464 HB2 SER 464 25.586 -3.352 3.062 140 HB3 SER 464 HB1 SER 464 24.300 -2.293 3.631 141 HG SER 464 HG SER 464 25.937 -1.006 4.003 142 H LEU 465 HN LEU 465 22.686 -2.854 5.859 143 HA LEU 465 HA LEU 465 23.833 -1.299 8.051 144 HB2 LEU 465 HB2 LEU 465 22.266 0.108 7.256 145 HB3 LEU 465 HB1 LEU 465 21.427 -1.168 6.389 146 HG LEU 465 HG LEU 465 21.167 -0.786 9.392 147 HD11 LEU 465 HD11 LEU 465 19.769 0.549 7.103 148 HD12 LEU 465 HD12 LEU 465 20.282 1.225 8.648 149 HD13 LEU 465 HD13 LEU 465 18.864 0.182 8.572 150 HD21 LEU 465 HD21 LEU 465 18.857 -1.846 8.042 151 HD22 LEU 465 HD22 LEU 465 19.865 -2.634 9.253 152 HD23 LEU 465 HD23 LEU 465 20.267 -2.780 7.543 153 H GLY 466 HN GLY 466 22.071 -4.227 7.475 154 HA2 GLY 466 HA2 GLY 466 21.326 -4.520 10.289 155 HA3 GLY 466 HA1 GLY 466 20.894 -5.611 8.977 156 H TYR 467 HN TYR 467 24.074 -4.945 8.549 157 HA TYR 467 HA TYR 467 24.873 -7.493 9.736 158 HB2 TYR 467 HB2 TYR 467 25.792 -7.454 7.641 159 HB3 TYR 467 HB1 TYR 467 25.926 -5.696 7.614 160 HD1 TYR 467 HD1 TYR 467 27.356 -8.728 9.281 161 HD2 TYR 467 HD2 TYR 467 27.990 -4.664 8.044 162 HE1 TYR 467 HE1 TYR 467 29.740 -8.897 9.945 163 HE2 TYR 467 HE2 TYR 467 30.373 -4.832 8.710 164 HH TYR 467 HH TYR 467 31.587 -7.520 10.525 165 H LEU 468 HN LEU 468 25.451 -4.048 10.085 166 HA LEU 468 HA LEU 468 27.706 -4.287 11.821 167 HB2 LEU 468 HB2 LEU 468 25.764 -1.987 11.485 168 HB3 LEU 468 HB1 LEU 468 27.343 -1.903 12.266 169 HG LEU 468 HG LEU 468 27.229 -2.991 9.485 170 HD11 LEU 468 HD11 LEU 468 26.963 -0.060 10.202 171 HD12 LEU 468 HD12 LEU 468 25.809 -1.032 9.287 172 HD13 LEU 468 HD13 LEU 468 27.390 -0.658 8.598 173 HD21 LEU 468 HD21 LEU 468 29.168 -0.968 10.548 174 HD22 LEU 468 HD22 LEU 468 29.443 -2.291 9.414 175 HD23 LEU 468 HD23 LEU 468 29.267 -2.627 11.136 176 H LEU 469 HN LEU 469 24.640 -2.751 12.720 177 HA LEU 469 HA LEU 469 24.808 -3.036 15.434 178 HB2 LEU 469 HB2 LEU 469 22.343 -2.936 15.488 179 HB3 LEU 469 HB1 LEU 469 23.015 -1.776 14.340 180 HG LEU 469 HG LEU 469 22.713 -4.041 12.789 181 HD11 LEU 469 HD11 LEU 469 20.197 -3.787 14.448 182 HD12 LEU 469 HD12 LEU 469 21.435 -4.993 14.798 183 HD13 LEU 469 HD13 LEU 469 20.591 -5.020 13.251 184 HD21 LEU 469 HD21 LEU 469 20.790 -2.817 11.818 185 HD22 LEU 469 HD22 LEU 469 22.129 -1.724 12.169 186 HD23 LEU 469 HD23 LEU 469 20.734 -1.782 13.246 187 H ASP 470 HN ASP 470 24.426 -5.532 13.134 188 HA ASP 470 HA ASP 470 23.216 -7.444 14.941 189 HB2 ASP 470 HB2 ASP 470 22.674 -7.877 12.711 190 HB3 ASP 470 HB1 ASP 470 24.314 -7.556 12.147 191 H LYS 471 HN LYS 471 26.434 -6.621 13.789 192 HA LYS 471 HA LYS 471 27.582 -8.726 15.521 193 HB2 LYS 471 HB2 LYS 471 28.905 -7.203 13.263 194 HB3 LYS 471 HB1 LYS 471 29.590 -8.558 14.162 195 HG2 LYS 471 HG2 LYS 471 27.076 -8.674 12.466 196 HG3 LYS 471 HG1 LYS 471 28.657 -9.292 11.986 197 HD2 LYS 471 HD2 LYS 471 28.485 -10.613 14.272 198 HD3 LYS 471 HD1 LYS 471 26.754 -10.350 14.046 199 HE2 LYS 471 HE2 LYS 471 27.192 -12.424 12.974 200 HE3 LYS 471 HE1 LYS 471 27.101 -11.248 11.661 201 HZ1 LYS 471 HZ1 LYS 471 29.599 -12.207 12.950 202 HZ2 LYS 471 HZ2 LYS 471 29.506 -11.083 11.680 203 HZ3 LYS 471 HZ3 LYS 471 29.025 -12.693 11.431 204 H LYS 472 HN LYS 472 28.412 -5.447 14.363 205 HA LYS 472 HA LYS 472 29.998 -4.929 16.724 206 HB2 LYS 472 HB2 LYS 472 29.232 -3.303 14.304 207 HB3 LYS 472 HB1 LYS 472 30.094 -2.587 15.667 208 HG2 LYS 472 HG2 LYS 472 31.195 -5.155 14.690 209 HG3 LYS 472 HG1 LYS 472 31.340 -3.800 13.571 210 HD2 LYS 472 HD2 LYS 472 32.508 -2.473 15.200 211 HD3 LYS 472 HD1 LYS 472 32.167 -3.638 16.479 212 HE2 LYS 472 HE2 LYS 472 33.744 -4.372 14.006 213 HE3 LYS 472 HE1 LYS 472 34.513 -3.745 15.465 214 HZ1 LYS 472 HZ1 LYS 472 34.438 -6.188 15.385 215 HZ2 LYS 472 HZ2 LYS 472 32.741 -6.126 15.385 216 HZ3 LYS 472 HZ3 LYS 472 33.615 -5.556 16.725 217 HN1 NH2 473 H1 NH2 473 29.511 -2.635 17.838 218 HN2 NH2 473 H2 NH2 473 27.897 -2.419 18.316 Start of MODEL 27 1 H1 ACE 446 HA2 ACE 446 18.509 0.753 -21.697 2 H2 ACE 446 HA3 ACE 446 19.873 0.700 -20.580 3 H3 ACE 446 HA1 ACE 446 19.255 2.253 -21.142 4 H LYS 447 HN LYS 447 18.039 -0.707 -19.548 5 HA LYS 447 HA LYS 447 16.710 0.993 -17.545 6 HB2 LYS 447 HB2 LYS 447 15.379 -1.317 -18.980 7 HB3 LYS 447 HB1 LYS 447 14.671 -0.349 -17.686 8 HG2 LYS 447 HG2 LYS 447 15.355 1.642 -19.349 9 HG3 LYS 447 HG1 LYS 447 15.146 0.360 -20.543 10 HD2 LYS 447 HD2 LYS 447 13.105 1.310 -18.512 11 HD3 LYS 447 HD1 LYS 447 13.012 1.470 -20.267 12 HE2 LYS 447 HE2 LYS 447 13.327 -1.190 -20.125 13 HE3 LYS 447 HE1 LYS 447 12.568 -0.931 -18.554 14 HZ1 LYS 447 HZ1 LYS 447 11.102 -1.308 -20.630 15 HZ2 LYS 447 HZ2 LYS 447 11.428 0.326 -20.958 16 HZ3 LYS 447 HZ3 LYS 447 10.659 -0.116 -19.508 17 H ASP 448 HN ASP 448 17.928 -2.167 -18.509 18 HA ASP 448 HA ASP 448 17.592 -3.355 -15.908 19 HB2 ASP 448 HB2 ASP 448 19.243 -4.222 -18.293 20 HB3 ASP 448 HB1 ASP 448 18.948 -5.198 -16.855 21 H GLN 449 HN GLN 449 20.013 -1.436 -17.482 22 HA GLN 449 HA GLN 449 22.158 -2.178 -15.697 23 HB2 GLN 449 HB2 GLN 449 21.861 0.065 -17.704 24 HB3 GLN 449 HB1 GLN 449 23.330 -0.239 -16.776 25 HG2 GLN 449 HG2 GLN 449 22.394 -2.698 -17.969 26 HG3 GLN 449 HG1 GLN 449 22.565 -1.455 -19.208 27 HE21 GLN 449 HE21 GLN 449 24.369 -3.042 -16.539 28 HE22 GLN 449 HE22 GLN 449 25.904 -2.755 -17.206 29 H PHE 450 HN PHE 450 19.584 0.130 -15.736 30 HA PHE 450 HA PHE 450 20.787 1.755 -13.623 31 HB2 PHE 450 HB2 PHE 450 18.103 1.971 -15.012 32 HB3 PHE 450 HB1 PHE 450 18.750 3.130 -13.850 33 HD1 PHE 450 HD2 PHE 450 20.860 4.388 -14.386 34 HD2 PHE 450 HD1 PHE 450 18.837 1.951 -17.287 35 HE1 PHE 450 HE2 PHE 450 22.109 5.517 -16.207 36 HE2 PHE 450 HE1 PHE 450 20.086 3.080 -19.108 37 HZ PHE 450 HZ PHE 450 21.722 4.864 -18.566 38 H ILE 451 HN ILE 451 17.939 -0.315 -14.131 39 HA ILE 451 HA ILE 451 16.894 -0.130 -11.526 40 HB ILE 451 HB ILE 451 16.667 -2.180 -13.716 41 HG12 ILE 451 HG12 ILE 451 14.432 -0.669 -12.399 42 HG13 ILE 451 HG11 ILE 451 15.487 0.178 -13.531 43 HG21 ILE 451 HG21 ILE 451 16.423 -3.614 -11.882 44 HG22 ILE 451 HG22 ILE 451 14.766 -3.066 -12.137 45 HG23 ILE 451 HG23 ILE 451 15.745 -2.348 -10.858 46 HD11 ILE 451 HD11 ILE 451 14.430 -2.486 -14.366 47 HD12 ILE 451 HD12 ILE 451 14.770 -1.057 -15.341 48 HD13 ILE 451 HD13 ILE 451 13.306 -1.128 -14.362 49 H ILE 452 HN ILE 452 18.921 -2.688 -12.973 50 HA ILE 452 HA ILE 452 19.289 -4.220 -10.669 51 HB ILE 452 HB ILE 452 19.967 -4.766 -13.076 52 HG12 ILE 452 HG12 ILE 452 21.939 -5.264 -10.821 53 HG13 ILE 452 HG11 ILE 452 20.499 -6.224 -11.162 54 HG21 ILE 452 HG21 ILE 452 22.589 -3.505 -12.282 55 HG22 ILE 452 HG22 ILE 452 21.368 -2.580 -13.156 56 HG23 ILE 452 HG23 ILE 452 22.060 -4.032 -13.879 57 HD11 ILE 452 HD11 ILE 452 21.859 -6.100 -13.607 58 HD12 ILE 452 HD12 ILE 452 21.779 -7.487 -12.523 59 HD13 ILE 452 HD13 ILE 452 23.125 -6.353 -12.406 60 H ALA 453 HN ALA 453 20.997 -1.355 -11.813 61 HA ALA 453 HA ALA 453 23.100 -1.417 -9.907 62 HB1 ALA 453 HB1 ALA 453 23.420 0.952 -10.514 63 HB2 ALA 453 HB2 ALA 453 21.880 0.934 -11.373 64 HB3 ALA 453 HB3 ALA 453 23.220 -0.057 -11.947 65 H TYR 454 HN TYR 454 19.777 -0.475 -9.747 66 HA TYR 454 HA TYR 454 20.095 1.125 -7.345 67 HB2 TYR 454 HB2 TYR 454 17.952 0.513 -9.250 68 HB3 TYR 454 HB1 TYR 454 17.407 0.582 -7.575 69 HD1 TYR 454 HD1 TYR 454 19.829 2.440 -9.767 70 HD2 TYR 454 HD2 TYR 454 16.683 2.678 -6.849 71 HE1 TYR 454 HE1 TYR 454 19.949 4.916 -9.837 72 HE2 TYR 454 HE2 TYR 454 16.803 5.152 -6.921 73 HH TYR 454 HH TYR 454 17.553 6.912 -8.415 74 H GLY 455 HN GLY 455 18.838 -2.070 -8.230 75 HA2 GLY 455 HA2 GLY 455 19.386 -3.889 -6.626 76 HA3 GLY 455 HA1 GLY 455 18.840 -2.799 -5.357 77 H GLY 456 HN GLY 456 17.157 -2.821 -8.386 78 HA2 GLY 456 HA2 GLY 456 14.942 -3.269 -8.859 79 HA3 GLY 456 HA1 GLY 456 15.310 -4.840 -8.156 80 H LEU 457 HN LEU 457 15.598 -2.001 -6.181 81 HA LEU 457 HA LEU 457 13.695 -2.999 -4.294 82 HB2 LEU 457 HB2 LEU 457 14.090 -0.755 -3.178 83 HB3 LEU 457 HB1 LEU 457 15.526 -1.746 -3.422 84 HG LEU 457 HG LEU 457 15.052 -0.109 -5.756 85 HD11 LEU 457 HD11 LEU 457 15.546 2.085 -4.627 86 HD12 LEU 457 HD12 LEU 457 15.211 1.306 -3.081 87 HD13 LEU 457 HD13 LEU 457 13.933 1.458 -4.287 88 HD21 LEU 457 HD21 LEU 457 17.368 0.621 -5.232 89 HD22 LEU 457 HD22 LEU 457 17.202 -1.133 -5.140 90 HD23 LEU 457 HD23 LEU 457 17.249 -0.171 -3.661 91 H ARG 458 HN ARG 458 13.644 -0.532 -6.808 92 HA ARG 458 HA ARG 458 11.958 0.855 -7.560 93 HB2 ARG 458 HB2 ARG 458 11.038 -1.901 -7.459 94 HB3 ARG 458 HB1 ARG 458 9.693 -0.774 -7.306 95 HG2 ARG 458 HG2 ARG 458 10.011 -1.200 -9.654 96 HG3 ARG 458 HG1 ARG 458 10.590 0.435 -9.347 97 HD2 ARG 458 HD2 ARG 458 12.911 -0.708 -9.004 98 HD3 ARG 458 HD1 ARG 458 12.185 -2.074 -9.841 99 HE ARG 458 HE ARG 458 12.198 -0.824 -11.816 100 HH11 ARG 458 HH21 ARG 458 12.952 1.115 -9.049 101 HH12 ARG 458 HH22 ARG 458 13.454 2.488 -9.976 102 HH21 ARG 458 HH11 ARG 458 12.853 0.974 -13.039 103 HH22 ARG 458 HH12 ARG 458 13.400 2.409 -12.234 104 H GLY 459 HN GLY 459 12.386 0.541 -4.509 105 HA2 GLY 459 HA2 GLY 459 9.780 1.166 -3.410 106 HA3 GLY 459 HA1 GLY 459 11.308 1.146 -2.535 107 H ALA 460 HN ALA 460 12.556 2.901 -4.608 108 HA ALA 460 HA ALA 460 11.727 5.430 -3.439 109 HB1 ALA 460 HB1 ALA 460 14.052 4.440 -4.997 110 HB2 ALA 460 HB2 ALA 460 14.006 5.501 -3.589 111 HB3 ALA 460 HB3 ALA 460 13.638 6.143 -5.189 112 H ILE 461 HN ILE 461 11.146 3.623 -6.293 113 HA ILE 461 HA ILE 461 10.428 5.919 -7.923 114 HB ILE 461 HB ILE 461 10.414 2.942 -8.313 115 HG12 ILE 461 HG12 ILE 461 11.825 3.573 -10.241 116 HG13 ILE 461 HG11 ILE 461 11.589 5.279 -9.857 117 HG21 ILE 461 HG21 ILE 461 8.357 3.435 -9.337 118 HG22 ILE 461 HG22 ILE 461 9.503 3.595 -10.665 119 HG23 ILE 461 HG23 ILE 461 8.889 5.035 -9.853 120 HD11 ILE 461 HD11 ILE 461 13.752 4.198 -8.991 121 HD12 ILE 461 HD12 ILE 461 12.728 3.331 -7.847 122 HD13 ILE 461 HD13 ILE 461 12.792 5.093 -7.813 123 H ALA 462 HN ALA 462 8.738 3.193 -6.377 124 HA ALA 462 HA ALA 462 6.129 3.901 -7.119 125 HB1 ALA 462 HB1 ALA 462 7.320 2.286 -4.901 126 HB2 ALA 462 HB2 ALA 462 6.256 1.776 -6.211 127 HB3 ALA 462 HB3 ALA 462 5.602 2.679 -4.844 128 H PHE 463 HN PHE 463 8.225 5.116 -4.597 129 HA PHE 463 HA PHE 463 6.074 6.616 -3.323 130 HB2 PHE 463 HB2 PHE 463 7.446 6.253 -1.579 131 HB3 PHE 463 HB1 PHE 463 8.787 5.806 -2.634 132 HD1 PHE 463 HD1 PHE 463 7.012 8.651 -1.049 133 HD2 PHE 463 HD2 PHE 463 10.465 7.403 -3.278 134 HE1 PHE 463 HE1 PHE 463 8.075 10.851 -0.631 135 HE2 PHE 463 HE2 PHE 463 11.530 9.604 -2.859 136 HZ PHE 463 HZ PHE 463 10.336 11.328 -1.536 137 H SER 464 HN SER 464 9.084 7.291 -5.100 138 HA SER 464 HA SER 464 9.024 10.059 -5.095 139 HB2 SER 464 HB2 SER 464 10.934 8.984 -6.018 140 HB3 SER 464 HB1 SER 464 9.963 8.101 -7.192 141 HG SER 464 HG SER 464 10.323 10.919 -7.064 142 H LEU 465 HN LEU 465 7.223 7.799 -7.123 143 HA LEU 465 HA LEU 465 6.008 10.000 -8.611 144 HB2 LEU 465 HB2 LEU 465 6.189 8.415 -10.199 145 HB3 LEU 465 HB1 LEU 465 6.412 7.132 -9.021 146 HG LEU 465 HG LEU 465 3.690 8.336 -9.633 147 HD11 LEU 465 HD11 LEU 465 4.286 7.446 -11.711 148 HD12 LEU 465 HD12 LEU 465 3.470 6.091 -10.929 149 HD13 LEU 465 HD13 LEU 465 5.232 6.143 -10.991 150 HD21 LEU 465 HD21 LEU 465 4.658 6.466 -7.693 151 HD22 LEU 465 HD22 LEU 465 3.708 5.563 -8.871 152 HD23 LEU 465 HD23 LEU 465 2.984 6.921 -8.013 153 H GLY 466 HN GLY 466 5.337 7.858 -5.972 154 HA2 GLY 466 HA2 GLY 466 2.476 8.463 -5.988 155 HA3 GLY 466 HA1 GLY 466 3.306 7.369 -4.885 156 H TYR 467 HN TYR 467 5.137 10.106 -5.090 157 HA TYR 467 HA TYR 467 4.198 11.039 -2.492 158 HB2 TYR 467 HB2 TYR 467 6.460 11.085 -2.328 159 HB3 TYR 467 HB1 TYR 467 6.685 11.231 -4.071 160 HD1 TYR 467 HD1 TYR 467 5.472 13.174 -1.108 161 HD2 TYR 467 HD2 TYR 467 7.303 13.295 -4.992 162 HE1 TYR 467 HE1 TYR 467 5.855 15.613 -0.853 163 HE2 TYR 467 HE2 TYR 467 7.685 15.733 -4.735 164 HH TYR 467 HH TYR 467 7.463 17.498 -3.421 165 H LEU 468 HN LEU 468 4.726 12.355 -5.758 166 HA LEU 468 HA LEU 468 3.925 14.991 -5.248 167 HB2 LEU 468 HB2 LEU 468 3.774 13.306 -7.753 168 HB3 LEU 468 HB1 LEU 468 3.365 15.022 -7.720 169 HG LEU 468 HG LEU 468 5.900 14.545 -6.389 170 HD11 LEU 468 HD11 LEU 468 7.133 13.972 -8.519 171 HD12 LEU 468 HD12 LEU 468 5.574 13.563 -9.236 172 HD13 LEU 468 HD13 LEU 468 6.175 12.649 -7.853 173 HD21 LEU 468 HD21 LEU 468 6.612 16.338 -7.841 174 HD22 LEU 468 HD22 LEU 468 4.963 16.699 -7.331 175 HD23 LEU 468 HD23 LEU 468 5.265 16.050 -8.942 176 H LEU 469 HN LEU 469 1.917 12.757 -7.156 177 HA LEU 469 HA LEU 469 -0.478 14.076 -6.881 178 HB2 LEU 469 HB2 LEU 469 -1.580 11.906 -7.316 179 HB3 LEU 469 HB1 LEU 469 -0.198 12.166 -8.379 180 HG LEU 469 HG LEU 469 0.964 10.931 -6.204 181 HD11 LEU 469 HD11 LEU 469 -0.409 9.120 -5.502 182 HD12 LEU 469 HD12 LEU 469 -1.595 9.425 -6.769 183 HD13 LEU 469 HD13 LEU 469 -1.451 10.539 -5.411 184 HD21 LEU 469 HD21 LEU 469 1.458 10.385 -8.513 185 HD22 LEU 469 HD22 LEU 469 -0.174 9.765 -8.763 186 HD23 LEU 469 HD23 LEU 469 0.945 8.902 -7.708 187 H ASP 470 HN ASP 470 1.298 12.596 -4.413 188 HA ASP 470 HA ASP 470 -1.051 12.191 -2.697 189 HB2 ASP 470 HB2 ASP 470 0.525 10.391 -2.598 190 HB3 ASP 470 HB1 ASP 470 1.872 11.504 -2.366 191 H LYS 471 HN LYS 471 1.749 14.262 -3.112 192 HA LYS 471 HA LYS 471 1.252 15.650 -0.596 193 HB2 LYS 471 HB2 LYS 471 3.329 16.636 -0.872 194 HB3 LYS 471 HB1 LYS 471 3.559 15.132 -1.754 195 HG2 LYS 471 HG2 LYS 471 4.355 16.672 -3.301 196 HG3 LYS 471 HG1 LYS 471 2.683 16.503 -3.816 197 HD2 LYS 471 HD2 LYS 471 2.470 18.737 -3.597 198 HD3 LYS 471 HD1 LYS 471 2.666 18.551 -1.857 199 HE2 LYS 471 HE2 LYS 471 5.115 18.701 -2.111 200 HE3 LYS 471 HE1 LYS 471 4.921 18.885 -3.855 201 HZ1 LYS 471 HZ1 LYS 471 3.906 20.725 -1.758 202 HZ2 LYS 471 HZ2 LYS 471 3.582 20.882 -3.418 203 HZ3 LYS 471 HZ3 LYS 471 5.174 21.031 -2.844 204 H LYS 472 HN LYS 472 0.563 15.985 -3.980 205 HA LYS 472 HA LYS 472 0.033 18.778 -4.018 206 HB2 LYS 472 HB2 LYS 472 -0.923 16.510 -5.774 207 HB3 LYS 472 HB1 LYS 472 -1.286 18.207 -6.092 208 HG2 LYS 472 HG2 LYS 472 1.562 17.620 -5.551 209 HG3 LYS 472 HG1 LYS 472 0.927 16.929 -7.045 210 HD2 LYS 472 HD2 LYS 472 0.308 19.049 -7.899 211 HD3 LYS 472 HD1 LYS 472 0.435 19.816 -6.315 212 HE2 LYS 472 HE2 LYS 472 2.887 18.516 -7.419 213 HE3 LYS 472 HE1 LYS 472 2.378 20.045 -8.137 214 HZ1 LYS 472 HZ1 LYS 472 3.212 21.099 -6.399 215 HZ2 LYS 472 HZ2 LYS 472 3.700 19.626 -5.707 216 HZ3 LYS 472 HZ3 LYS 472 2.165 20.265 -5.358 217 HN1 NH2 473 H1 NH2 473 -2.775 17.241 -5.159 218 HN2 NH2 473 H2 NH2 473 -3.796 17.619 -3.858 Start of MODEL 28 1 H1 ACE 446 HA2 ACE 446 20.412 2.010 -19.809 2 H2 ACE 446 HA3 ACE 446 19.391 2.939 -20.906 3 H3 ACE 446 HA1 ACE 446 19.410 1.178 -20.997 4 H LYS 447 HN LYS 447 18.269 -0.032 -19.462 5 HA LYS 447 HA LYS 447 16.720 1.433 -17.440 6 HB2 LYS 447 HB2 LYS 447 15.415 1.125 -19.643 7 HB3 LYS 447 HB1 LYS 447 15.371 -0.586 -19.221 8 HG2 LYS 447 HG2 LYS 447 14.397 0.054 -16.994 9 HG3 LYS 447 HG1 LYS 447 14.298 1.718 -17.571 10 HD2 LYS 447 HD2 LYS 447 12.190 1.003 -18.175 11 HD3 LYS 447 HD1 LYS 447 13.070 0.529 -19.629 12 HE2 LYS 447 HE2 LYS 447 11.968 -1.455 -19.121 13 HE3 LYS 447 HE1 LYS 447 13.496 -1.699 -18.275 14 HZ1 LYS 447 HZ1 LYS 447 11.010 -1.792 -17.160 15 HZ2 LYS 447 HZ2 LYS 447 11.591 -0.265 -16.697 16 HZ3 LYS 447 HZ3 LYS 447 12.475 -1.664 -16.317 17 H ASP 448 HN ASP 448 17.771 -1.658 -18.792 18 HA ASP 448 HA ASP 448 17.052 -3.126 -16.398 19 HB2 ASP 448 HB2 ASP 448 17.540 -3.799 -19.066 20 HB3 ASP 448 HB1 ASP 448 18.891 -4.497 -18.172 21 H GLN 449 HN GLN 449 19.781 -1.399 -17.609 22 HA GLN 449 HA GLN 449 21.656 -2.708 -15.792 23 HB2 GLN 449 HB2 GLN 449 21.871 -0.697 -17.997 24 HB3 GLN 449 HB1 GLN 449 23.149 -0.772 -16.783 25 HG2 GLN 449 HG2 GLN 449 23.603 -3.071 -17.272 26 HG3 GLN 449 HG1 GLN 449 22.145 -3.218 -18.251 27 HE21 GLN 449 HE21 GLN 449 23.259 -3.759 -20.229 28 HE22 GLN 449 HE22 GLN 449 24.250 -2.645 -21.040 29 H PHE 450 HN PHE 450 19.468 -0.112 -15.763 30 HA PHE 450 HA PHE 450 20.941 1.434 -13.771 31 HB2 PHE 450 HB2 PHE 450 19.776 3.089 -14.737 32 HB3 PHE 450 HB1 PHE 450 18.772 1.936 -15.615 33 HD1 PHE 450 HD1 PHE 450 19.190 3.651 -12.334 34 HD2 PHE 450 HD2 PHE 450 16.555 1.442 -14.910 35 HE1 PHE 450 HE1 PHE 450 17.292 4.146 -10.817 36 HE2 PHE 450 HE2 PHE 450 14.658 1.937 -13.393 37 HZ PHE 450 HZ PHE 450 15.025 3.289 -11.347 38 H ILE 451 HN ILE 451 18.450 -0.966 -13.959 39 HA ILE 451 HA ILE 451 17.290 -0.469 -11.384 40 HB ILE 451 HB ILE 451 17.189 -2.781 -13.317 41 HG12 ILE 451 HG12 ILE 451 14.947 -1.062 -12.240 42 HG13 ILE 451 HG11 ILE 451 15.919 -0.550 -13.621 43 HG21 ILE 451 HG21 ILE 451 15.313 -3.552 -11.678 44 HG22 ILE 451 HG22 ILE 451 16.175 -2.577 -10.488 45 HG23 ILE 451 HG23 ILE 451 16.988 -3.929 -11.275 46 HD11 ILE 451 HD11 ILE 451 15.235 -2.415 -14.928 47 HD12 ILE 451 HD12 ILE 451 13.760 -1.839 -14.151 48 HD13 ILE 451 HD13 ILE 451 14.591 -3.263 -13.523 49 H ILE 452 HN ILE 452 19.362 -3.123 -12.581 50 HA ILE 452 HA ILE 452 19.887 -4.325 -10.129 51 HB ILE 452 HB ILE 452 21.999 -5.148 -11.236 52 HG12 ILE 452 HG12 ILE 452 20.958 -3.559 -13.599 53 HG13 ILE 452 HG11 ILE 452 22.297 -3.023 -12.584 54 HG21 ILE 452 HG21 ILE 452 20.363 -5.848 -13.382 55 HG22 ILE 452 HG22 ILE 452 19.226 -5.484 -12.084 56 HG23 ILE 452 HG23 ILE 452 20.477 -6.703 -11.843 57 HD11 ILE 452 HD11 ILE 452 22.492 -4.700 -14.806 58 HD12 ILE 452 HD12 ILE 452 22.628 -5.794 -13.429 59 HD13 ILE 452 HD13 ILE 452 23.741 -4.436 -13.590 60 H ALA 453 HN ALA 453 20.840 -1.262 -11.231 61 HA ALA 453 HA ALA 453 23.241 -1.107 -9.588 62 HB1 ALA 453 HB1 ALA 453 23.458 0.143 -11.561 63 HB2 ALA 453 HB2 ALA 453 23.073 1.365 -10.351 64 HB3 ALA 453 HB3 ALA 453 21.820 0.785 -11.447 65 H TYR 454 HN TYR 454 19.862 -0.322 -9.402 66 HA TYR 454 HA TYR 454 20.241 0.558 -6.632 67 HB2 TYR 454 HB2 TYR 454 18.690 2.155 -8.686 68 HB3 TYR 454 HB1 TYR 454 18.755 2.497 -6.958 69 HD1 TYR 454 HD1 TYR 454 21.102 2.839 -5.905 70 HD2 TYR 454 HD2 TYR 454 20.326 3.040 -10.124 71 HE1 TYR 454 HE1 TYR 454 23.207 4.108 -6.232 72 HE2 TYR 454 HE2 TYR 454 22.432 4.310 -10.451 73 HH TYR 454 HH TYR 454 24.853 4.452 -8.234 74 H GLY 455 HN GLY 455 17.565 0.512 -8.996 75 HA2 GLY 455 HA2 GLY 455 15.481 -0.192 -7.405 76 HA3 GLY 455 HA1 GLY 455 15.647 -0.792 -9.054 77 H GLY 456 HN GLY 456 18.165 -2.220 -8.325 78 HA2 GLY 456 HA2 GLY 456 16.879 -4.581 -7.117 79 HA3 GLY 456 HA1 GLY 456 18.307 -4.606 -8.147 80 H LEU 457 HN LEU 457 19.965 -2.789 -7.037 81 HA LEU 457 HA LEU 457 20.831 -4.143 -4.640 82 HB2 LEU 457 HB2 LEU 457 22.541 -3.476 -6.186 83 HB3 LEU 457 HB1 LEU 457 21.945 -1.818 -6.224 84 HG LEU 457 HG LEU 457 22.645 -1.430 -3.951 85 HD11 LEU 457 HD11 LEU 457 23.048 -4.422 -3.925 86 HD12 LEU 457 HD12 LEU 457 22.112 -3.432 -2.805 87 HD13 LEU 457 HD13 LEU 457 23.874 -3.380 -2.766 88 HD21 LEU 457 HD21 LEU 457 24.815 -3.042 -5.325 89 HD22 LEU 457 HD22 LEU 457 25.048 -1.760 -4.138 90 HD23 LEU 457 HD23 LEU 457 24.403 -1.377 -5.735 91 H ARG 458 HN ARG 458 20.655 -0.639 -5.208 92 HA ARG 458 HA ARG 458 19.728 1.061 -3.957 93 HB2 ARG 458 HB2 ARG 458 17.862 -0.811 -3.689 94 HB3 ARG 458 HB1 ARG 458 18.467 -0.842 -2.033 95 HG2 ARG 458 HG2 ARG 458 16.877 0.827 -1.835 96 HG3 ARG 458 HG1 ARG 458 18.275 1.802 -2.285 97 HD2 ARG 458 HD2 ARG 458 17.580 1.674 -4.662 98 HD3 ARG 458 HD1 ARG 458 16.165 0.741 -4.186 99 HE ARG 458 HE ARG 458 15.175 2.711 -3.450 100 HH11 ARG 458 HH21 ARG 458 18.575 3.124 -3.945 101 HH12 ARG 458 HH22 ARG 458 18.537 4.841 -3.730 102 HH21 ARG 458 HH11 ARG 458 15.118 4.964 -3.168 103 HH22 ARG 458 HH12 ARG 458 16.581 5.884 -3.290 104 H GLY 459 HN GLY 459 21.079 -1.707 -2.242 105 HA2 GLY 459 HA2 GLY 459 22.956 -1.614 -0.813 106 HA3 GLY 459 HA1 GLY 459 22.704 0.120 -0.630 107 H ALA 460 HN ALA 460 19.710 -0.958 -0.301 108 HA ALA 460 HA ALA 460 19.962 -1.538 2.590 109 HB1 ALA 460 HB1 ALA 460 18.952 0.455 2.898 110 HB2 ALA 460 HB2 ALA 460 17.494 -0.344 2.310 111 HB3 ALA 460 HB3 ALA 460 18.500 0.583 1.197 112 H ILE 461 HN ILE 461 18.537 -2.303 -0.450 113 HA ILE 461 HA ILE 461 16.507 -4.043 0.726 114 HB ILE 461 HB ILE 461 17.175 -3.111 -2.044 115 HG12 ILE 461 HG12 ILE 461 14.845 -2.450 -2.033 116 HG13 ILE 461 HG11 ILE 461 14.548 -3.349 -0.546 117 HG21 ILE 461 HG21 ILE 461 15.286 -4.749 -2.741 118 HG22 ILE 461 HG22 ILE 461 15.697 -5.620 -1.264 119 HG23 ILE 461 HG23 ILE 461 16.909 -5.403 -2.529 120 HD11 ILE 461 HD11 ILE 461 16.624 -1.167 -0.629 121 HD12 ILE 461 HD12 ILE 461 15.768 -1.823 0.767 122 HD13 ILE 461 HD13 ILE 461 14.923 -0.780 -0.377 123 H ALA 462 HN ALA 462 19.606 -4.226 -0.917 124 HA ALA 462 HA ALA 462 19.527 -7.099 -1.210 125 HB1 ALA 462 HB1 ALA 462 21.661 -6.901 -2.196 126 HB2 ALA 462 HB2 ALA 462 21.999 -5.384 -1.362 127 HB3 ALA 462 HB3 ALA 462 20.823 -5.425 -2.674 128 H PHE 463 HN PHE 463 20.623 -4.801 1.164 129 HA PHE 463 HA PHE 463 22.290 -6.684 2.591 130 HB2 PHE 463 HB2 PHE 463 23.103 -4.722 3.316 131 HB3 PHE 463 HB1 PHE 463 21.695 -3.847 2.715 132 HD1 PHE 463 HD2 PHE 463 23.097 -5.709 5.590 133 HD2 PHE 463 HD1 PHE 463 19.821 -3.331 4.152 134 HE1 PHE 463 HE2 PHE 463 22.259 -5.461 7.910 135 HE2 PHE 463 HE1 PHE 463 18.983 -3.083 6.472 136 HZ PHE 463 HZ PHE 463 20.202 -4.148 8.351 137 H SER 464 HN SER 464 19.142 -5.117 3.187 138 HA SER 464 HA SER 464 18.543 -6.413 5.601 139 HB2 SER 464 HB2 SER 464 17.323 -4.456 4.425 140 HB3 SER 464 HB1 SER 464 16.438 -5.714 3.566 141 HG SER 464 HG SER 464 15.950 -4.785 5.958 142 H LEU 465 HN LEU 465 18.780 -7.671 2.454 143 HA LEU 465 HA LEU 465 16.945 -9.892 2.934 144 HB2 LEU 465 HB2 LEU 465 18.156 -8.647 0.624 145 HB3 LEU 465 HB1 LEU 465 18.441 -10.389 0.608 146 HG LEU 465 HG LEU 465 16.027 -10.783 0.964 147 HD11 LEU 465 HD11 LEU 465 14.830 -9.105 1.879 148 HD12 LEU 465 HD12 LEU 465 14.893 -8.299 0.311 149 HD13 LEU 465 HD13 LEU 465 16.108 -7.937 1.539 150 HD21 LEU 465 HD21 LEU 465 15.777 -10.749 -1.278 151 HD22 LEU 465 HD22 LEU 465 17.286 -9.838 -1.368 152 HD23 LEU 465 HD23 LEU 465 15.745 -8.986 -1.297 153 H GLY 466 HN GLY 466 20.425 -9.342 2.463 154 HA2 GLY 466 HA2 GLY 466 21.054 -12.125 3.027 155 HA3 GLY 466 HA1 GLY 466 22.206 -10.839 2.676 156 H TYR 467 HN TYR 467 20.142 -9.625 4.931 157 HA TYR 467 HA TYR 467 22.082 -10.050 7.074 158 HB2 TYR 467 HB2 TYR 467 21.548 -7.819 7.103 159 HB3 TYR 467 HB1 TYR 467 19.910 -8.093 6.510 160 HD1 TYR 467 HD1 TYR 467 22.100 -8.581 9.498 161 HD2 TYR 467 HD2 TYR 467 18.091 -8.197 8.008 162 HE1 TYR 467 HE1 TYR 467 21.243 -8.494 11.825 163 HE2 TYR 467 HE2 TYR 467 17.234 -8.110 10.334 164 HH TYR 467 HH TYR 467 18.100 -8.982 12.644 165 H LEU 468 HN LEU 468 18.719 -10.750 6.288 166 HA LEU 468 HA LEU 468 17.929 -11.693 8.835 167 HB2 LEU 468 HB2 LEU 468 16.881 -12.471 6.103 168 HB3 LEU 468 HB1 LEU 468 16.062 -12.748 7.640 169 HG LEU 468 HG LEU 468 16.935 -9.960 6.993 170 HD11 LEU 468 HD11 LEU 468 14.709 -9.637 5.838 171 HD12 LEU 468 HD12 LEU 468 14.573 -11.394 5.757 172 HD13 LEU 468 HD13 LEU 468 15.888 -10.571 4.917 173 HD21 LEU 468 HD21 LEU 468 15.716 -10.971 9.129 174 HD22 LEU 468 HD22 LEU 468 14.282 -10.780 8.118 175 HD23 LEU 468 HD23 LEU 468 15.279 -9.378 8.510 176 H LEU 469 HN LEU 469 18.172 -13.797 5.988 177 HA LEU 469 HA LEU 469 18.431 -16.204 7.246 178 HB2 LEU 469 HB2 LEU 469 19.632 -17.006 5.243 179 HB3 LEU 469 HB1 LEU 469 18.254 -15.993 4.814 180 HG LEU 469 HG LEU 469 20.290 -14.147 5.076 181 HD11 LEU 469 HD11 LEU 469 21.388 -16.635 3.729 182 HD12 LEU 469 HD12 LEU 469 21.945 -15.977 5.267 183 HD13 LEU 469 HD13 LEU 469 22.177 -15.059 3.778 184 HD21 LEU 469 HD21 LEU 469 19.183 -15.642 2.688 185 HD22 LEU 469 HD22 LEU 469 20.293 -14.283 2.513 186 HD23 LEU 469 HD23 LEU 469 18.723 -14.044 3.278 187 H ASP 470 HN ASP 470 20.710 -13.646 7.218 188 HA ASP 470 HA ASP 470 23.030 -15.252 7.816 189 HB2 ASP 470 HB2 ASP 470 22.409 -12.395 7.465 190 HB3 ASP 470 HB1 ASP 470 23.675 -12.732 8.642 191 H LYS 471 HN LYS 471 20.711 -13.304 9.648 192 HA LYS 471 HA LYS 471 21.969 -14.199 12.161 193 HB2 LYS 471 HB2 LYS 471 19.974 -11.989 11.609 194 HB3 LYS 471 HB1 LYS 471 20.575 -12.422 13.212 195 HG2 LYS 471 HG2 LYS 471 22.825 -12.130 11.469 196 HG3 LYS 471 HG1 LYS 471 21.797 -10.711 11.280 197 HD2 LYS 471 HD2 LYS 471 21.804 -10.329 13.687 198 HD3 LYS 471 HD1 LYS 471 22.720 -11.813 13.949 199 HE2 LYS 471 HE2 LYS 471 23.711 -9.474 12.295 200 HE3 LYS 471 HE1 LYS 471 24.148 -9.751 13.980 201 HZ1 LYS 471 HZ1 LYS 471 24.773 -11.430 11.628 202 HZ2 LYS 471 HZ2 LYS 471 24.882 -12.030 13.213 203 HZ3 LYS 471 HZ3 LYS 471 25.849 -10.721 12.728 204 H LYS 472 HN LYS 472 18.795 -13.895 10.577 205 HA LYS 472 HA LYS 472 17.409 -15.377 12.600 206 HB2 LYS 472 HB2 LYS 472 16.752 -14.247 9.922 207 HB3 LYS 472 HB1 LYS 472 15.724 -15.543 10.535 208 HG2 LYS 472 HG2 LYS 472 16.439 -13.254 12.343 209 HG3 LYS 472 HG1 LYS 472 15.168 -13.040 11.139 210 HD2 LYS 472 HD2 LYS 472 15.073 -15.521 12.792 211 HD3 LYS 472 HD1 LYS 472 14.646 -14.004 13.585 212 HE2 LYS 472 HE2 LYS 472 13.444 -14.906 10.954 213 HE3 LYS 472 HE1 LYS 472 12.694 -15.208 12.522 214 HZ1 LYS 472 HZ1 LYS 472 13.254 -12.583 12.654 215 HZ2 LYS 472 HZ2 LYS 472 11.751 -13.225 12.187 216 HZ3 LYS 472 HZ3 LYS 472 12.882 -12.759 11.009 217 HN1 NH2 473 H1 NH2 473 18.338 -16.265 9.221 218 HN2 NH2 473 H2 NH2 473 18.336 -17.936 9.518 Start of MODEL 29 1 H1 ACE 446 HA2 ACE 446 20.571 1.696 -20.926 2 H2 ACE 446 HA3 ACE 446 19.280 2.193 -22.019 3 H3 ACE 446 HA1 ACE 446 19.490 0.488 -21.620 4 H LYS 447 HN LYS 447 18.281 -0.315 -20.008 5 HA LYS 447 HA LYS 447 17.269 1.507 -17.927 6 HB2 LYS 447 HB2 LYS 447 15.569 1.120 -19.801 7 HB3 LYS 447 HB1 LYS 447 15.493 -0.549 -19.235 8 HG2 LYS 447 HG2 LYS 447 14.979 0.334 -16.932 9 HG3 LYS 447 HG1 LYS 447 14.860 1.946 -17.637 10 HD2 LYS 447 HD2 LYS 447 12.648 1.333 -17.809 11 HD3 LYS 447 HD1 LYS 447 13.230 0.653 -19.329 12 HE2 LYS 447 HE2 LYS 447 13.668 -1.508 -18.073 13 HE3 LYS 447 HE1 LYS 447 12.803 -0.802 -16.708 14 HZ1 LYS 447 HZ1 LYS 447 11.749 -1.350 -19.425 15 HZ2 LYS 447 HZ2 LYS 447 10.921 -0.411 -18.274 16 HZ3 LYS 447 HZ3 LYS 447 11.250 -2.049 -17.961 17 H ASP 448 HN ASP 448 16.872 -1.913 -18.872 18 HA ASP 448 HA ASP 448 16.682 -3.056 -16.384 19 HB2 ASP 448 HB2 ASP 448 18.126 -4.152 -18.807 20 HB3 ASP 448 HB1 ASP 448 17.636 -5.105 -17.409 21 H GLN 449 HN GLN 449 19.357 -1.378 -17.638 22 HA GLN 449 HA GLN 449 21.332 -2.744 -15.988 23 HB2 GLN 449 HB2 GLN 449 21.422 -0.535 -18.013 24 HB3 GLN 449 HB1 GLN 449 22.776 -0.776 -16.908 25 HG2 GLN 449 HG2 GLN 449 23.242 -2.918 -17.740 26 HG3 GLN 449 HG1 GLN 449 21.632 -3.104 -18.431 27 HE21 GLN 449 HE21 GLN 449 24.528 -3.082 -19.634 28 HE22 GLN 449 HE22 GLN 449 24.374 -2.038 -20.964 29 H PHE 450 HN PHE 450 19.423 0.179 -15.966 30 HA PHE 450 HA PHE 450 20.874 1.451 -13.834 31 HB2 PHE 450 HB2 PHE 450 18.210 1.952 -15.152 32 HB3 PHE 450 HB1 PHE 450 18.730 2.871 -13.740 33 HD1 PHE 450 HD1 PHE 450 19.856 1.833 -17.155 34 HD2 PHE 450 HD2 PHE 450 20.158 4.722 -13.990 35 HE1 PHE 450 HE1 PHE 450 21.250 3.280 -18.609 36 HE2 PHE 450 HE2 PHE 450 21.552 6.168 -15.445 37 HZ PHE 450 HZ PHE 450 22.098 5.447 -17.754 38 H ILE 451 HN ILE 451 18.498 -0.996 -14.059 39 HA ILE 451 HA ILE 451 17.214 -0.664 -11.542 40 HB ILE 451 HB ILE 451 17.618 -3.257 -13.016 41 HG12 ILE 451 HG12 ILE 451 16.910 -1.637 -14.642 42 HG13 ILE 451 HG11 ILE 451 15.526 -2.650 -14.236 43 HG21 ILE 451 HG21 ILE 451 15.288 -2.241 -11.380 44 HG22 ILE 451 HG22 ILE 451 16.565 -3.272 -10.734 45 HG23 ILE 451 HG23 ILE 451 15.509 -3.872 -12.014 46 HD11 ILE 451 HD11 ILE 451 16.108 0.181 -13.420 47 HD12 ILE 451 HD12 ILE 451 14.994 -0.813 -12.487 48 HD13 ILE 451 HD13 ILE 451 14.661 -0.471 -14.182 49 H ILE 452 HN ILE 452 19.530 -3.197 -12.528 50 HA ILE 452 HA ILE 452 20.137 -4.230 -10.063 51 HB ILE 452 HB ILE 452 22.443 -4.690 -11.034 52 HG12 ILE 452 HG12 ILE 452 21.256 -3.441 -13.524 53 HG13 ILE 452 HG11 ILE 452 22.346 -2.558 -12.455 54 HG21 ILE 452 HG21 ILE 452 21.233 -5.870 -13.137 55 HG22 ILE 452 HG22 ILE 452 19.807 -5.438 -12.195 56 HG23 ILE 452 HG23 ILE 452 21.055 -6.462 -11.485 57 HD11 ILE 452 HD11 ILE 452 23.581 -3.618 -14.320 58 HD12 ILE 452 HD12 ILE 452 22.983 -5.196 -13.808 59 HD13 ILE 452 HD13 ILE 452 24.072 -4.283 -12.762 60 H ALA 453 HN ALA 453 21.095 -1.163 -11.409 61 HA ALA 453 HA ALA 453 23.260 -0.551 -9.711 62 HB1 ALA 453 HB1 ALA 453 21.739 1.811 -10.264 63 HB2 ALA 453 HB2 ALA 453 21.728 0.783 -11.697 64 HB3 ALA 453 HB3 ALA 453 23.262 1.290 -10.987 65 H TYR 454 HN TYR 454 19.768 -0.158 -9.329 66 HA TYR 454 HA TYR 454 20.187 0.853 -6.594 67 HB2 TYR 454 HB2 TYR 454 17.871 0.969 -8.515 68 HB3 TYR 454 HB1 TYR 454 17.641 1.254 -6.791 69 HD1 TYR 454 HD1 TYR 454 19.471 2.417 -9.810 70 HD2 TYR 454 HD2 TYR 454 18.346 3.288 -5.758 71 HE1 TYR 454 HE1 TYR 454 20.297 4.739 -10.080 72 HE2 TYR 454 HE2 TYR 454 19.173 5.611 -6.026 73 HH TYR 454 HH TYR 454 20.382 6.778 -9.157 74 H GLY 455 HN GLY 455 19.339 -1.927 -8.363 75 HA2 GLY 455 HA2 GLY 455 18.955 -4.080 -7.582 76 HA3 GLY 455 HA1 GLY 455 18.898 -3.440 -5.942 77 H GLY 456 HN GLY 456 17.009 -3.344 -8.977 78 HA2 GLY 456 HA2 GLY 456 14.717 -3.148 -9.299 79 HA3 GLY 456 HA1 GLY 456 14.683 -4.489 -8.159 80 H LEU 457 HN LEU 457 15.969 -1.491 -7.046 81 HA LEU 457 HA LEU 457 13.662 -1.176 -5.265 82 HB2 LEU 457 HB2 LEU 457 15.763 -1.199 -4.117 83 HB3 LEU 457 HB1 LEU 457 16.463 -0.041 -5.244 84 HG LEU 457 HG LEU 457 15.055 1.736 -4.413 85 HD11 LEU 457 HD11 LEU 457 12.953 0.723 -4.046 86 HD12 LEU 457 HD12 LEU 457 13.505 1.130 -2.421 87 HD13 LEU 457 HD13 LEU 457 13.639 -0.528 -3.008 88 HD21 LEU 457 HD21 LEU 457 16.094 0.074 -2.096 89 HD22 LEU 457 HD22 LEU 457 15.741 1.802 -2.044 90 HD23 LEU 457 HD23 LEU 457 17.051 1.199 -3.059 91 H ARG 458 HN ARG 458 15.826 1.069 -7.007 92 HA ARG 458 HA ARG 458 15.377 2.944 -8.259 93 HB2 ARG 458 HB2 ARG 458 13.266 1.255 -8.854 94 HB3 ARG 458 HB1 ARG 458 12.464 2.731 -8.314 95 HG2 ARG 458 HG2 ARG 458 12.817 3.009 -10.660 96 HG3 ARG 458 HG1 ARG 458 14.043 3.999 -9.870 97 HD2 ARG 458 HD2 ARG 458 15.238 1.487 -10.084 98 HD3 ARG 458 HD1 ARG 458 14.376 1.682 -11.606 99 HE ARG 458 HE ARG 458 16.659 3.228 -10.701 100 HH11 ARG 458 HH21 ARG 458 13.909 3.010 -12.789 101 HH12 ARG 458 HH22 ARG 458 14.531 4.132 -13.953 102 HH21 ARG 458 HH11 ARG 458 17.480 4.702 -12.223 103 HH22 ARG 458 HH12 ARG 458 16.552 5.090 -13.632 104 H GLY 459 HN GLY 459 13.160 2.267 -5.590 105 HA2 GLY 459 HA2 GLY 459 12.765 3.609 -3.720 106 HA3 GLY 459 HA1 GLY 459 13.656 4.915 -4.497 107 H ALA 460 HN ALA 460 11.839 4.149 -6.940 108 HA ALA 460 HA ALA 460 9.555 5.832 -6.094 109 HB1 ALA 460 HB1 ALA 460 10.573 7.122 -7.719 110 HB2 ALA 460 HB2 ALA 460 9.467 6.172 -8.711 111 HB3 ALA 460 HB3 ALA 460 11.167 5.719 -8.609 112 H ILE 461 HN ILE 461 10.567 2.863 -7.565 113 HA ILE 461 HA ILE 461 7.870 2.218 -8.490 114 HB ILE 461 HB ILE 461 10.574 0.939 -8.750 115 HG12 ILE 461 HG12 ILE 461 10.059 1.080 -11.111 116 HG13 ILE 461 HG11 ILE 461 8.384 1.514 -10.768 117 HG21 ILE 461 HG21 ILE 461 9.222 -0.920 -9.968 118 HG22 ILE 461 HG22 ILE 461 7.871 -0.374 -8.976 119 HG23 ILE 461 HG23 ILE 461 9.337 -0.988 -8.210 120 HD11 ILE 461 HD11 ILE 461 10.666 3.200 -9.747 121 HD12 ILE 461 HD12 ILE 461 8.979 3.656 -9.970 122 HD13 ILE 461 HD13 ILE 461 10.023 3.427 -11.373 123 H ALA 462 HN ALA 462 10.127 1.392 -5.928 124 HA ALA 462 HA ALA 462 8.518 -0.783 -4.915 125 HB1 ALA 462 HB1 ALA 462 11.059 -0.514 -4.677 126 HB2 ALA 462 HB2 ALA 462 10.169 -1.016 -3.240 127 HB3 ALA 462 HB3 ALA 462 10.695 0.659 -3.410 128 H PHE 463 HN PHE 463 8.786 2.650 -4.407 129 HA PHE 463 HA PHE 463 7.342 2.647 -1.900 130 HB2 PHE 463 HB2 PHE 463 8.410 4.620 -1.811 131 HB3 PHE 463 HB1 PHE 463 8.766 4.578 -3.539 132 HD1 PHE 463 HD2 PHE 463 6.250 5.546 -0.996 133 HD2 PHE 463 HD1 PHE 463 7.366 5.709 -5.141 134 HE1 PHE 463 HE2 PHE 463 4.497 7.254 -1.401 135 HE2 PHE 463 HE1 PHE 463 5.614 7.416 -5.545 136 HZ PHE 463 HZ PHE 463 4.178 8.188 -3.675 137 H SER 464 HN SER 464 6.630 3.706 -5.232 138 HA SER 464 HA SER 464 3.979 4.479 -4.848 139 HB2 SER 464 HB2 SER 464 5.160 3.173 -7.309 140 HB3 SER 464 HB1 SER 464 3.694 4.150 -7.250 141 HG SER 464 HG SER 464 6.309 5.006 -6.527 142 H LEU 465 HN LEU 465 5.381 1.344 -4.808 143 HA LEU 465 HA LEU 465 2.880 -0.043 -5.361 144 HB2 LEU 465 HB2 LEU 465 5.689 -0.730 -5.271 145 HB3 LEU 465 HB1 LEU 465 4.736 -1.862 -4.308 146 HG LEU 465 HG LEU 465 3.211 -2.205 -6.220 147 HD11 LEU 465 HD11 LEU 465 3.131 -0.590 -7.791 148 HD12 LEU 465 HD12 LEU 465 4.692 -1.166 -8.374 149 HD13 LEU 465 HD13 LEU 465 4.620 0.139 -7.189 150 HD21 LEU 465 HD21 LEU 465 4.725 -3.518 -7.573 151 HD22 LEU 465 HD22 LEU 465 5.308 -3.586 -5.910 152 HD23 LEU 465 HD23 LEU 465 6.101 -2.531 -7.080 153 H GLY 466 HN GLY 466 5.130 0.281 -2.611 154 HA2 GLY 466 HA2 GLY 466 3.324 -1.011 -0.778 155 HA3 GLY 466 HA1 GLY 466 4.834 -0.206 -0.366 156 H TYR 467 HN TYR 467 3.162 1.922 -2.229 157 HA TYR 467 HA TYR 467 2.327 3.463 0.106 158 HB2 TYR 467 HB2 TYR 467 3.395 4.921 -1.311 159 HB3 TYR 467 HB1 TYR 467 2.890 4.053 -2.761 160 HD1 TYR 467 HD1 TYR 467 1.510 6.104 0.055 161 HD2 TYR 467 HD2 TYR 467 1.089 4.854 -4.034 162 HE1 TYR 467 HE1 TYR 467 -0.379 7.685 -0.235 163 HE2 TYR 467 HE2 TYR 467 -0.798 6.434 -4.322 164 HH TYR 467 HH TYR 467 -1.761 8.338 -3.371 165 H LEU 468 HN LEU 468 0.936 1.952 -2.768 166 HA LEU 468 HA LEU 468 -1.688 2.969 -2.468 167 HB2 LEU 468 HB2 LEU 468 -0.781 0.378 -3.748 168 HB3 LEU 468 HB1 LEU 468 -2.345 1.157 -3.988 169 HG LEU 468 HG LEU 468 0.123 2.772 -4.489 170 HD11 LEU 468 HD11 LEU 468 -0.944 0.585 -6.284 171 HD12 LEU 468 HD12 LEU 468 0.701 0.777 -5.682 172 HD13 LEU 468 HD13 LEU 468 0.063 1.906 -6.874 173 HD21 LEU 468 HD21 LEU 468 -2.453 3.406 -4.645 174 HD22 LEU 468 HD22 LEU 468 -2.309 2.648 -6.231 175 HD23 LEU 468 HD23 LEU 468 -1.297 4.033 -5.819 176 H LEU 469 HN LEU 469 -0.865 -0.465 -2.087 177 HA LEU 469 HA LEU 469 -3.018 -1.228 -0.569 178 HB2 LEU 469 HB2 LEU 469 -1.700 -3.121 0.175 179 HB3 LEU 469 HB1 LEU 469 -1.279 -2.761 -1.501 180 HG LEU 469 HG LEU 469 0.472 -1.161 -0.083 181 HD11 LEU 469 HD11 LEU 469 1.396 -2.431 1.711 182 HD12 LEU 469 HD12 LEU 469 0.455 -3.859 1.281 183 HD13 LEU 469 HD13 LEU 469 -0.348 -2.451 1.974 184 HD21 LEU 469 HD21 LEU 469 1.163 -2.406 -2.003 185 HD22 LEU 469 HD22 LEU 469 0.736 -3.942 -1.248 186 HD23 LEU 469 HD23 LEU 469 2.128 -3.030 -0.664 187 H ASP 470 HN ASP 470 -0.472 0.845 0.362 188 HA ASP 470 HA ASP 470 -0.680 0.370 3.208 189 HB2 ASP 470 HB2 ASP 470 1.424 1.170 2.693 190 HB3 ASP 470 HB1 ASP 470 0.821 2.264 1.449 191 H LYS 471 HN LYS 471 -1.919 2.707 0.869 192 HA LYS 471 HA LYS 471 -3.440 4.043 3.013 193 HB2 LYS 471 HB2 LYS 471 -2.872 4.876 0.157 194 HB3 LYS 471 HB1 LYS 471 -3.850 5.799 1.299 195 HG2 LYS 471 HG2 LYS 471 -1.396 5.117 2.595 196 HG3 LYS 471 HG1 LYS 471 -1.007 5.798 1.015 197 HD2 LYS 471 HD2 LYS 471 -2.391 7.762 1.486 198 HD3 LYS 471 HD1 LYS 471 -2.872 7.075 3.037 199 HE2 LYS 471 HE2 LYS 471 0.020 7.099 2.752 200 HE3 LYS 471 HE1 LYS 471 -0.654 8.718 2.565 201 HZ1 LYS 471 HZ1 LYS 471 -1.244 6.868 4.813 202 HZ2 LYS 471 HZ2 LYS 471 -1.832 8.453 4.639 203 HZ3 LYS 471 HZ3 LYS 471 -0.174 8.181 4.885 204 H LYS 472 HN LYS 472 -3.851 2.673 -0.251 205 HA LYS 472 HA LYS 472 -6.746 2.731 -0.001 206 HB2 LYS 472 HB2 LYS 472 -4.857 1.785 -2.157 207 HB3 LYS 472 HB1 LYS 472 -6.603 1.554 -2.256 208 HG2 LYS 472 HG2 LYS 472 -5.766 4.290 -1.527 209 HG3 LYS 472 HG1 LYS 472 -5.299 3.786 -3.152 210 HD2 LYS 472 HD2 LYS 472 -7.563 3.301 -3.754 211 HD3 LYS 472 HD1 LYS 472 -8.106 3.433 -2.082 212 HE2 LYS 472 HE2 LYS 472 -6.732 5.822 -3.173 213 HE3 LYS 472 HE1 LYS 472 -8.307 5.460 -3.877 214 HZ1 LYS 472 HZ1 LYS 472 -8.820 5.103 -1.292 215 HZ2 LYS 472 HZ2 LYS 472 -9.041 6.585 -2.095 216 HZ3 LYS 472 HZ3 LYS 472 -7.632 6.308 -1.187 217 HN1 NH2 473 H1 NH2 473 -6.923 1.233 1.886 218 HN2 NH2 473 H2 NH2 473 -6.776 -0.439 1.637 Start of MODEL 30 1 H1 ACE 446 HA2 ACE 446 19.348 0.683 -20.967 2 H2 ACE 446 HA3 ACE 446 19.219 2.427 -21.191 3 H3 ACE 446 HA1 ACE 446 17.953 1.364 -21.803 4 H LYS 447 HN LYS 447 17.768 -0.357 -19.554 5 HA LYS 447 HA LYS 447 17.054 1.393 -17.308 6 HB2 LYS 447 HB2 LYS 447 15.155 -0.107 -19.029 7 HB3 LYS 447 HB1 LYS 447 14.872 -0.173 -17.290 8 HG2 LYS 447 HG2 LYS 447 14.609 2.162 -17.118 9 HG3 LYS 447 HG1 LYS 447 15.406 2.455 -18.665 10 HD2 LYS 447 HD2 LYS 447 12.924 2.735 -18.787 11 HD3 LYS 447 HD1 LYS 447 13.526 1.478 -19.868 12 HE2 LYS 447 HE2 LYS 447 12.786 -0.263 -18.433 13 HE3 LYS 447 HE1 LYS 447 12.554 0.843 -17.080 14 HZ1 LYS 447 HZ1 LYS 447 10.970 0.734 -19.586 15 HZ2 LYS 447 HZ2 LYS 447 10.809 1.949 -18.410 16 HZ3 LYS 447 HZ3 LYS 447 10.439 0.335 -18.025 17 H ASP 448 HN ASP 448 17.454 -1.860 -18.612 18 HA ASP 448 HA ASP 448 17.215 -3.332 -16.243 19 HB2 ASP 448 HB2 ASP 448 18.145 -3.785 -18.930 20 HB3 ASP 448 HB1 ASP 448 19.239 -4.552 -17.781 21 H GLN 449 HN GLN 449 20.056 -1.773 -17.701 22 HA GLN 449 HA GLN 449 21.859 -2.623 -15.643 23 HB2 GLN 449 HB2 GLN 449 21.991 -0.660 -17.910 24 HB3 GLN 449 HB1 GLN 449 23.256 -0.673 -16.681 25 HG2 GLN 449 HG2 GLN 449 22.452 -3.308 -17.809 26 HG3 GLN 449 HG1 GLN 449 23.365 -2.236 -18.868 27 HE21 GLN 449 HE21 GLN 449 23.500 -3.366 -15.434 28 HE22 GLN 449 HE22 GLN 449 25.191 -3.526 -15.411 29 H PHE 450 HN PHE 450 19.464 -0.221 -15.824 30 HA PHE 450 HA PHE 450 20.730 1.565 -13.896 31 HB2 PHE 450 HB2 PHE 450 17.976 1.612 -15.156 32 HB3 PHE 450 HB1 PHE 450 18.636 2.868 -14.108 33 HD1 PHE 450 HD1 PHE 450 19.366 0.983 -17.260 34 HD2 PHE 450 HD2 PHE 450 19.924 4.607 -15.022 35 HE1 PHE 450 HE1 PHE 450 20.499 2.013 -19.211 36 HE2 PHE 450 HE2 PHE 450 21.058 5.636 -16.973 37 HZ PHE 450 HZ PHE 450 21.345 4.340 -19.067 38 H ILE 451 HN ILE 451 18.228 -0.903 -14.025 39 HA ILE 451 HA ILE 451 17.210 -0.419 -11.393 40 HB ILE 451 HB ILE 451 16.982 -2.754 -13.296 41 HG12 ILE 451 HG12 ILE 451 14.697 -1.095 -12.320 42 HG13 ILE 451 HG11 ILE 451 15.809 -0.349 -13.469 43 HG21 ILE 451 HG21 ILE 451 16.181 -2.460 -10.440 44 HG22 ILE 451 HG22 ILE 451 16.602 -3.913 -11.345 45 HG23 ILE 451 HG23 ILE 451 15.003 -3.192 -11.529 46 HD11 ILE 451 HD11 ILE 451 13.864 -1.536 -14.550 47 HD12 ILE 451 HD12 ILE 451 14.504 -3.048 -13.908 48 HD13 ILE 451 HD13 ILE 451 15.443 -2.119 -15.075 49 H ILE 452 HN ILE 452 19.212 -3.056 -12.737 50 HA ILE 452 HA ILE 452 19.806 -4.336 -10.334 51 HB ILE 452 HB ILE 452 20.344 -4.997 -12.801 52 HG12 ILE 452 HG12 ILE 452 22.185 -5.528 -10.448 53 HG13 ILE 452 HG11 ILE 452 20.783 -6.482 -10.937 54 HG21 ILE 452 HG21 ILE 452 22.461 -4.402 -13.636 55 HG22 ILE 452 HG22 ILE 452 23.044 -3.890 -12.054 56 HG23 ILE 452 HG23 ILE 452 21.880 -2.895 -12.929 57 HD11 ILE 452 HD11 ILE 452 22.463 -7.732 -11.921 58 HD12 ILE 452 HD12 ILE 452 23.498 -6.328 -12.180 59 HD13 ILE 452 HD13 ILE 452 22.115 -6.610 -13.238 60 H ALA 453 HN ALA 453 20.647 -1.229 -11.283 61 HA ALA 453 HA ALA 453 23.158 -1.139 -9.794 62 HB1 ALA 453 HB1 ALA 453 22.949 0.131 -11.898 63 HB2 ALA 453 HB2 ALA 453 23.256 1.198 -10.527 64 HB3 ALA 453 HB3 ALA 453 21.629 1.066 -11.197 65 H TYR 454 HN TYR 454 19.809 -0.103 -9.504 66 HA TYR 454 HA TYR 454 20.320 0.547 -6.676 67 HB2 TYR 454 HB2 TYR 454 18.629 2.233 -8.536 68 HB3 TYR 454 HB1 TYR 454 18.915 2.530 -6.821 69 HD1 TYR 454 HD2 TYR 454 21.494 2.563 -6.131 70 HD2 TYR 454 HD1 TYR 454 19.987 3.352 -10.075 71 HE1 TYR 454 HE2 TYR 454 23.575 3.795 -6.680 72 HE2 TYR 454 HE1 TYR 454 22.068 4.583 -10.625 73 HH TYR 454 HH TYR 454 23.923 5.550 -9.720 74 H GLY 455 HN GLY 455 17.557 0.572 -8.940 75 HA2 GLY 455 HA2 GLY 455 15.521 -0.143 -7.296 76 HA3 GLY 455 HA1 GLY 455 15.633 -0.725 -8.954 77 H GLY 456 HN GLY 456 18.155 -2.182 -8.340 78 HA2 GLY 456 HA2 GLY 456 16.909 -4.527 -7.050 79 HA3 GLY 456 HA1 GLY 456 18.237 -4.587 -8.206 80 H LEU 457 HN LEU 457 19.551 -2.267 -6.842 81 HA LEU 457 HA LEU 457 20.858 -3.835 -4.734 82 HB2 LEU 457 HB2 LEU 457 22.234 -2.802 -6.547 83 HB3 LEU 457 HB1 LEU 457 21.711 -1.214 -5.989 84 HG LEU 457 HG LEU 457 22.677 -1.712 -3.745 85 HD11 LEU 457 HD11 LEU 457 22.793 -3.995 -3.420 86 HD12 LEU 457 HD12 LEU 457 24.441 -3.707 -3.977 87 HD13 LEU 457 HD13 LEU 457 23.226 -4.320 -5.098 88 HD21 LEU 457 HD21 LEU 457 25.138 -1.872 -4.677 89 HD22 LEU 457 HD22 LEU 457 24.154 -0.453 -5.036 90 HD23 LEU 457 HD23 LEU 457 24.341 -1.725 -6.243 91 H ARG 458 HN ARG 458 19.784 -0.465 -5.235 92 HA ARG 458 HA ARG 458 18.747 1.010 -3.804 93 HB2 ARG 458 HB2 ARG 458 17.771 -1.410 -2.969 94 HB3 ARG 458 HB1 ARG 458 18.546 -0.810 -1.505 95 HG2 ARG 458 HG2 ARG 458 16.349 0.070 -1.403 96 HG3 ARG 458 HG1 ARG 458 17.330 1.414 -1.985 97 HD2 ARG 458 HD2 ARG 458 15.835 1.544 -3.679 98 HD3 ARG 458 HD1 ARG 458 16.648 0.123 -4.327 99 HE ARG 458 HE ARG 458 14.756 -1.101 -3.804 100 HH11 ARG 458 HH21 ARG 458 14.868 1.818 -1.950 101 HH12 ARG 458 HH22 ARG 458 13.309 1.585 -1.234 102 HH21 ARG 458 HH11 ARG 458 12.711 -1.413 -2.867 103 HH22 ARG 458 HH12 ARG 458 12.087 -0.244 -1.753 104 H GLY 459 HN GLY 459 21.225 -1.113 -2.471 105 HA2 GLY 459 HA2 GLY 459 23.209 -0.529 -1.417 106 HA3 GLY 459 HA1 GLY 459 22.725 1.161 -1.509 107 H ALA 460 HN ALA 460 20.062 0.259 -0.268 108 HA ALA 460 HA ALA 460 21.009 0.421 2.519 109 HB1 ALA 460 HB1 ALA 460 18.188 0.864 1.542 110 HB2 ALA 460 HB2 ALA 460 19.398 2.148 1.558 111 HB3 ALA 460 HB3 ALA 460 18.905 1.380 3.068 112 H ILE 461 HN ILE 461 19.436 -1.642 0.265 113 HA ILE 461 HA ILE 461 18.287 -3.354 2.337 114 HB ILE 461 HB ILE 461 18.132 -3.209 -0.649 115 HG12 ILE 461 HG12 ILE 461 15.754 -3.260 -0.203 116 HG13 ILE 461 HG11 ILE 461 16.031 -3.705 1.480 117 HG21 ILE 461 HG21 ILE 461 17.735 -5.667 1.058 118 HG22 ILE 461 HG22 ILE 461 18.597 -5.520 -0.475 119 HG23 ILE 461 HG23 ILE 461 16.837 -5.442 -0.442 120 HD11 ILE 461 HD11 ILE 461 17.215 -1.169 0.385 121 HD12 ILE 461 HD12 ILE 461 16.807 -1.570 2.052 122 HD13 ILE 461 HD13 ILE 461 15.529 -1.206 0.895 123 H ALA 462 HN ALA 462 20.822 -3.431 -0.141 124 HA ALA 462 HA ALA 462 21.662 -6.083 0.225 125 HB1 ALA 462 HB1 ALA 462 22.875 -5.388 -1.533 126 HB2 ALA 462 HB2 ALA 462 23.966 -4.626 -0.376 127 HB3 ALA 462 HB3 ALA 462 22.652 -3.695 -1.096 128 H PHE 463 HN PHE 463 22.373 -3.148 2.013 129 HA PHE 463 HA PHE 463 24.503 -4.308 3.564 130 HB2 PHE 463 HB2 PHE 463 24.857 -2.107 3.841 131 HB3 PHE 463 HB1 PHE 463 23.229 -1.712 3.287 132 HD1 PHE 463 HD1 PHE 463 25.300 -2.574 6.222 133 HD2 PHE 463 HD2 PHE 463 21.393 -1.435 4.848 134 HE1 PHE 463 HE1 PHE 463 24.618 -2.097 8.558 135 HE2 PHE 463 HE2 PHE 463 20.711 -0.958 7.184 136 HZ PHE 463 HZ PHE 463 22.323 -1.289 9.039 137 H SER 464 HN SER 464 21.098 -3.475 4.196 138 HA SER 464 HA SER 464 20.974 -4.322 6.859 139 HB2 SER 464 HB2 SER 464 18.548 -4.514 6.493 140 HB3 SER 464 HB1 SER 464 19.184 -3.036 5.776 141 HG SER 464 HG SER 464 19.411 -4.921 3.960 142 H LEU 465 HN LEU 465 21.442 -6.144 4.032 143 HA LEU 465 HA LEU 465 20.325 -8.608 5.135 144 HB2 LEU 465 HB2 LEU 465 21.135 -7.649 2.506 145 HB3 LEU 465 HB1 LEU 465 21.758 -9.264 2.847 146 HG LEU 465 HG LEU 465 19.503 -10.033 3.435 147 HD11 LEU 465 HD11 LEU 465 17.808 -8.028 2.501 148 HD12 LEU 465 HD12 LEU 465 19.009 -7.154 3.452 149 HD13 LEU 465 HD13 LEU 465 18.075 -8.454 4.191 150 HD21 LEU 465 HD21 LEU 465 18.939 -10.379 1.252 151 HD22 LEU 465 HD22 LEU 465 20.435 -9.509 0.910 152 HD23 LEU 465 HD23 LEU 465 18.893 -8.653 0.893 153 H GLY 466 HN GLY 466 23.495 -7.317 4.158 154 HA2 GLY 466 HA2 GLY 466 24.894 -9.613 5.250 155 HA3 GLY 466 HA1 GLY 466 25.627 -8.195 4.506 156 H TYR 467 HN TYR 467 23.417 -7.056 6.660 157 HA TYR 467 HA TYR 467 25.498 -6.443 8.617 158 HB2 TYR 467 HB2 TYR 467 24.364 -4.487 8.222 159 HB3 TYR 467 HB1 TYR 467 22.840 -5.311 7.893 160 HD1 TYR 467 HD1 TYR 467 25.229 -4.481 10.644 161 HD2 TYR 467 HD2 TYR 467 21.202 -5.528 9.578 162 HE1 TYR 467 HE1 TYR 467 24.502 -4.069 12.979 163 HE2 TYR 467 HE2 TYR 467 20.476 -5.117 11.912 164 HH TYR 467 HH TYR 467 21.783 -3.414 13.970 165 H LEU 468 HN LEU 468 22.427 -8.154 8.380 166 HA LEU 468 HA LEU 468 22.053 -8.638 11.140 167 HB2 LEU 468 HB2 LEU 468 21.140 -10.292 8.774 168 HB3 LEU 468 HB1 LEU 468 20.503 -10.399 10.415 169 HG LEU 468 HG LEU 468 20.529 -7.717 9.089 170 HD11 LEU 468 HD11 LEU 468 18.250 -8.273 8.145 171 HD12 LEU 468 HD12 LEU 468 18.611 -9.971 8.460 172 HD13 LEU 468 HD13 LEU 468 19.600 -9.055 7.323 173 HD21 LEU 468 HD21 LEU 468 18.268 -8.908 10.648 174 HD22 LEU 468 HD22 LEU 468 18.851 -7.243 10.616 175 HD23 LEU 468 HD23 LEU 468 19.741 -8.473 11.513 176 H LEU 469 HN LEU 469 22.768 -11.208 8.796 177 HA LEU 469 HA LEU 469 23.734 -13.101 10.509 178 HB2 LEU 469 HB2 LEU 469 24.921 -14.077 8.641 179 HB3 LEU 469 HB1 LEU 469 23.409 -13.392 8.047 180 HG LEU 469 HG LEU 469 25.146 -11.254 7.854 181 HD11 LEU 469 HD11 LEU 469 27.210 -12.008 6.937 182 HD12 LEU 469 HD12 LEU 469 26.635 -13.670 6.812 183 HD13 LEU 469 HD13 LEU 469 26.977 -12.973 8.394 184 HD21 LEU 469 HD21 LEU 469 24.283 -13.370 5.870 185 HD22 LEU 469 HD22 LEU 469 25.184 -11.937 5.377 186 HD23 LEU 469 HD23 LEU 469 23.593 -11.766 6.118 187 H ASP 470 HN ASP 470 25.201 -10.111 9.714 188 HA ASP 470 HA ASP 470 27.896 -10.862 10.423 189 HB2 ASP 470 HB2 ASP 470 26.506 -8.461 9.464 190 HB3 ASP 470 HB1 ASP 470 27.809 -8.126 10.603 191 H LYS 471 HN LYS 471 25.190 -9.199 11.984 192 HA LYS 471 HA LYS 471 26.722 -9.108 14.503 193 HB2 LYS 471 HB2 LYS 471 24.161 -7.699 13.714 194 HB3 LYS 471 HB1 LYS 471 24.993 -7.519 15.259 195 HG2 LYS 471 HG2 LYS 471 26.977 -7.105 13.316 196 HG3 LYS 471 HG1 LYS 471 25.563 -6.237 12.719 197 HD2 LYS 471 HD2 LYS 471 25.336 -5.111 14.911 198 HD3 LYS 471 HD1 LYS 471 26.773 -5.957 15.485 199 HE2 LYS 471 HE2 LYS 471 28.192 -4.802 13.985 200 HE3 LYS 471 HE1 LYS 471 26.842 -4.271 12.984 201 HZ1 LYS 471 HZ1 LYS 471 27.369 -3.403 15.775 202 HZ2 LYS 471 HZ2 LYS 471 26.077 -2.885 14.801 203 HZ3 LYS 471 HZ3 LYS 471 27.673 -2.482 14.383 204 H LYS 472 HN LYS 472 23.529 -10.001 13.205 205 HA LYS 472 HA LYS 472 22.891 -11.455 15.655 206 HB2 LYS 472 HB2 LYS 472 21.324 -11.000 13.105 207 HB3 LYS 472 HB1 LYS 472 20.717 -11.880 14.510 208 HG2 LYS 472 HG2 LYS 472 21.859 -9.158 14.966 209 HG3 LYS 472 HG1 LYS 472 20.268 -9.265 14.211 210 HD2 LYS 472 HD2 LYS 472 20.842 -10.903 16.662 211 HD3 LYS 472 HD1 LYS 472 20.460 -9.190 16.837 212 HE2 LYS 472 HE2 LYS 472 18.292 -9.454 16.112 213 HE3 LYS 472 HE1 LYS 472 18.701 -10.801 15.048 214 HZ1 LYS 472 HZ1 LYS 472 18.600 -12.301 16.750 215 HZ2 LYS 472 HZ2 LYS 472 17.411 -11.201 17.262 216 HZ3 LYS 472 HZ3 LYS 472 18.964 -11.157 17.948 217 HN1 NH2 473 H1 NH2 473 22.832 -13.739 15.793 218 HN2 NH2 473 H2 NH2 473 23.324 -14.762 14.531 Start of MODEL 31 1 H1 ACE 446 HA2 ACE 446 19.434 2.597 -21.242 2 H2 ACE 446 HA3 ACE 446 18.471 1.398 -22.103 3 H3 ACE 446 HA1 ACE 446 19.708 0.878 -20.959 4 H LYS 447 HN LYS 447 18.434 -0.210 -19.503 5 HA LYS 447 HA LYS 447 16.888 1.390 -17.669 6 HB2 LYS 447 HB2 LYS 447 15.510 0.239 -19.824 7 HB3 LYS 447 HB1 LYS 447 15.193 -0.828 -18.459 8 HG2 LYS 447 HG2 LYS 447 14.841 2.186 -18.375 9 HG3 LYS 447 HG1 LYS 447 13.535 1.039 -18.665 10 HD2 LYS 447 HD2 LYS 447 13.323 0.652 -16.463 11 HD3 LYS 447 HD1 LYS 447 15.024 0.206 -16.347 12 HE2 LYS 447 HE2 LYS 447 14.366 2.164 -14.897 13 HE3 LYS 447 HE1 LYS 447 15.678 2.506 -16.022 14 HZ1 LYS 447 HZ1 LYS 447 13.129 2.979 -17.201 15 HZ2 LYS 447 HZ2 LYS 447 14.458 4.027 -17.050 16 HZ3 LYS 447 HZ3 LYS 447 13.327 3.894 -15.787 17 H ASP 448 HN ASP 448 16.867 -2.050 -18.599 18 HA ASP 448 HA ASP 448 16.896 -3.091 -16.018 19 HB2 ASP 448 HB2 ASP 448 18.318 -4.458 -18.286 20 HB3 ASP 448 HB1 ASP 448 17.357 -5.172 -16.992 21 H GLN 449 HN GLN 449 19.306 -1.321 -17.544 22 HA GLN 449 HA GLN 449 21.531 -2.613 -16.162 23 HB2 GLN 449 HB2 GLN 449 21.491 -0.132 -17.898 24 HB3 GLN 449 HB1 GLN 449 22.928 -0.981 -17.327 25 HG2 GLN 449 HG2 GLN 449 21.677 -3.056 -18.467 26 HG3 GLN 449 HG1 GLN 449 20.977 -1.765 -19.442 27 HE21 GLN 449 HE21 GLN 449 24.105 -3.199 -18.455 28 HE22 GLN 449 HE22 GLN 449 24.975 -2.595 -19.780 29 H PHE 450 HN PHE 450 19.324 -0.011 -15.728 30 HA PHE 450 HA PHE 450 21.010 1.344 -13.761 31 HB2 PHE 450 HB2 PHE 450 18.184 1.938 -14.675 32 HB3 PHE 450 HB1 PHE 450 19.169 2.962 -13.629 33 HD1 PHE 450 HD1 PHE 450 19.166 1.334 -16.999 34 HD2 PHE 450 HD2 PHE 450 20.626 4.554 -14.560 35 HE1 PHE 450 HE1 PHE 450 20.213 2.370 -18.994 36 HE2 PHE 450 HE2 PHE 450 21.672 5.590 -16.555 37 HZ PHE 450 HZ PHE 450 21.466 4.498 -18.772 38 H ILE 451 HN ILE 451 18.150 -0.700 -13.931 39 HA ILE 451 HA ILE 451 17.236 -0.429 -11.295 40 HB ILE 451 HB ILE 451 17.083 -2.683 -13.290 41 HG12 ILE 451 HG12 ILE 451 14.761 -1.204 -12.115 42 HG13 ILE 451 HG11 ILE 451 15.776 -0.357 -13.283 43 HG21 ILE 451 HG21 ILE 451 16.269 -2.602 -10.405 44 HG22 ILE 451 HG22 ILE 451 16.910 -3.948 -11.347 45 HG23 ILE 451 HG23 ILE 451 15.232 -3.443 -11.557 46 HD11 ILE 451 HD11 ILE 451 14.872 -3.136 -13.932 47 HD12 ILE 451 HD12 ILE 451 15.217 -1.790 -15.017 48 HD13 ILE 451 HD13 ILE 451 13.715 -1.815 -14.094 49 H ILE 452 HN ILE 452 19.480 -2.835 -12.677 50 HA ILE 452 HA ILE 452 20.030 -4.227 -10.312 51 HB ILE 452 HB ILE 452 22.202 -4.823 -11.470 52 HG12 ILE 452 HG12 ILE 452 21.055 -3.309 -13.816 53 HG13 ILE 452 HG11 ILE 452 22.175 -2.530 -12.697 54 HG21 ILE 452 HG21 ILE 452 20.793 -5.695 -13.582 55 HG22 ILE 452 HG22 ILE 452 19.450 -5.175 -12.563 56 HG23 ILE 452 HG23 ILE 452 20.588 -6.387 -11.973 57 HD11 ILE 452 HD11 ILE 452 23.961 -3.754 -13.423 58 HD12 ILE 452 HD12 ILE 452 22.980 -3.939 -14.876 59 HD13 ILE 452 HD13 ILE 452 22.995 -5.211 -13.654 60 H ALA 453 HN ALA 453 20.860 -1.050 -11.220 61 HA ALA 453 HA ALA 453 23.237 -0.875 -9.560 62 HB1 ALA 453 HB1 ALA 453 21.854 1.584 -10.485 63 HB2 ALA 453 HB2 ALA 453 22.480 0.511 -11.737 64 HB3 ALA 453 HB3 ALA 453 23.568 1.173 -10.518 65 H TYR 454 HN TYR 454 19.817 -0.125 -9.344 66 HA TYR 454 HA TYR 454 20.180 0.452 -6.481 67 HB2 TYR 454 HB2 TYR 454 18.502 2.134 -8.358 68 HB3 TYR 454 HB1 TYR 454 18.626 2.343 -6.611 69 HD1 TYR 454 HD2 TYR 454 21.021 2.678 -5.639 70 HD2 TYR 454 HD1 TYR 454 20.013 3.237 -9.777 71 HE1 TYR 454 HE2 TYR 454 23.054 4.065 -5.947 72 HE2 TYR 454 HE1 TYR 454 22.045 4.624 -10.086 73 HH TYR 454 HH TYR 454 24.569 4.691 -7.922 74 H GLY 455 HN GLY 455 17.465 0.510 -8.795 75 HA2 GLY 455 HA2 GLY 455 15.455 -0.458 -7.250 76 HA3 GLY 455 HA1 GLY 455 15.606 -0.867 -8.956 77 H GLY 456 HN GLY 456 18.270 -2.189 -8.254 78 HA2 GLY 456 HA2 GLY 456 17.102 -4.787 -7.536 79 HA3 GLY 456 HA1 GLY 456 18.662 -4.532 -8.310 80 H LEU 457 HN LEU 457 19.569 -2.483 -6.506 81 HA LEU 457 HA LEU 457 20.571 -4.174 -4.398 82 HB2 LEU 457 HB2 LEU 457 22.103 -2.592 -5.346 83 HB3 LEU 457 HB1 LEU 457 20.984 -1.257 -5.084 84 HG LEU 457 HG LEU 457 21.257 -1.392 -2.692 85 HD11 LEU 457 HD11 LEU 457 22.950 -3.149 -1.819 86 HD12 LEU 457 HD12 LEU 457 22.658 -3.984 -3.345 87 HD13 LEU 457 HD13 LEU 457 21.328 -3.710 -2.221 88 HD21 LEU 457 HD21 LEU 457 23.268 -0.363 -2.731 89 HD22 LEU 457 HD22 LEU 457 23.322 -0.772 -4.445 90 HD23 LEU 457 HD23 LEU 457 24.091 -1.829 -3.263 91 H ARG 458 HN ARG 458 19.020 -0.959 -4.260 92 HA ARG 458 HA ARG 458 18.411 -0.792 -1.621 93 HB2 ARG 458 HB2 ARG 458 16.980 0.126 -4.076 94 HB3 ARG 458 HB1 ARG 458 16.161 0.285 -2.522 95 HG2 ARG 458 HG2 ARG 458 17.455 2.321 -3.062 96 HG3 ARG 458 HG1 ARG 458 18.087 1.527 -1.621 97 HD2 ARG 458 HD2 ARG 458 19.887 0.520 -2.888 98 HD3 ARG 458 HD1 ARG 458 19.200 1.096 -4.404 99 HE ARG 458 HE ARG 458 20.057 3.223 -3.942 100 HH11 ARG 458 HH21 ARG 458 20.299 1.102 -1.217 101 HH12 ARG 458 HH22 ARG 458 21.331 2.159 -0.312 102 HH21 ARG 458 HH11 ARG 458 21.410 4.612 -2.760 103 HH22 ARG 458 HH12 ARG 458 21.958 4.147 -1.185 104 H GLY 459 HN GLY 459 17.111 -3.054 -3.874 105 HA2 GLY 459 HA2 GLY 459 14.653 -3.748 -2.848 106 HA3 GLY 459 HA1 GLY 459 15.782 -4.910 -3.537 107 H ALA 460 HN ALA 460 17.629 -3.821 -1.230 108 HA ALA 460 HA ALA 460 16.789 -5.881 0.679 109 HB1 ALA 460 HB1 ALA 460 19.097 -6.012 -0.021 110 HB2 ALA 460 HB2 ALA 460 19.060 -5.489 1.662 111 HB3 ALA 460 HB3 ALA 460 19.359 -4.315 0.382 112 H ILE 461 HN ILE 461 18.229 -2.630 0.981 113 HA ILE 461 HA ILE 461 17.524 -2.124 3.601 114 HB ILE 461 HB ILE 461 17.937 -0.348 1.218 115 HG12 ILE 461 HG12 ILE 461 19.871 0.375 2.570 116 HG13 ILE 461 HG11 ILE 461 19.339 -0.663 3.892 117 HG21 ILE 461 HG21 ILE 461 16.864 0.413 3.928 118 HG22 ILE 461 HG22 ILE 461 16.333 0.960 2.337 119 HG23 ILE 461 HG23 ILE 461 17.858 1.540 3.006 120 HD11 ILE 461 HD11 ILE 461 19.726 -2.647 2.620 121 HD12 ILE 461 HD12 ILE 461 21.148 -1.635 2.369 122 HD13 ILE 461 HD13 ILE 461 19.905 -1.734 1.121 123 H ALA 462 HN ALA 462 15.580 -1.759 0.678 124 HA ALA 462 HA ALA 462 13.396 -0.378 1.769 125 HB1 ALA 462 HB1 ALA 462 14.003 -1.236 -0.706 126 HB2 ALA 462 HB2 ALA 462 12.367 -0.778 -0.232 127 HB3 ALA 462 HB3 ALA 462 12.834 -2.478 -0.254 128 H PHE 463 HN PHE 463 14.336 -3.736 1.969 129 HA PHE 463 HA PHE 463 11.779 -4.608 3.022 130 HB2 PHE 463 HB2 PHE 463 12.579 -6.563 2.272 131 HB3 PHE 463 HB1 PHE 463 14.173 -5.856 2.011 132 HD1 PHE 463 HD1 PHE 463 11.954 -7.243 4.685 133 HD2 PHE 463 HD2 PHE 463 15.976 -6.418 3.418 134 HE1 PHE 463 HE1 PHE 463 12.826 -8.481 6.648 135 HE2 PHE 463 HE2 PHE 463 16.848 -7.656 5.384 136 HZ PHE 463 HZ PHE 463 15.273 -8.687 6.998 137 H SER 464 HN SER 464 15.070 -4.104 4.279 138 HA SER 464 HA SER 464 14.705 -4.896 6.906 139 HB2 SER 464 HB2 SER 464 16.341 -2.546 5.925 140 HB3 SER 464 HB1 SER 464 16.535 -3.365 7.473 141 HG SER 464 HG SER 464 17.799 -4.656 6.407 142 H LEU 465 HN LEU 465 13.832 -1.844 5.358 143 HA LEU 465 HA LEU 465 13.025 -0.543 7.781 144 HB2 LEU 465 HB2 LEU 465 12.912 0.036 4.873 145 HB3 LEU 465 HB1 LEU 465 11.703 0.834 5.880 146 HG LEU 465 HG LEU 465 13.437 1.758 7.315 147 HD11 LEU 465 HD11 LEU 465 15.122 -0.165 5.782 148 HD12 LEU 465 HD12 LEU 465 15.201 0.290 7.484 149 HD13 LEU 465 HD13 LEU 465 15.871 1.360 6.253 150 HD21 LEU 465 HD21 LEU 465 12.851 2.798 5.017 151 HD22 LEU 465 HD22 LEU 465 14.412 2.174 4.486 152 HD23 LEU 465 HD23 LEU 465 14.331 3.348 5.800 153 H GLY 466 HN GLY 466 11.117 -1.733 5.002 154 HA2 GLY 466 HA2 GLY 466 8.607 -1.516 6.273 155 HA3 GLY 466 HA1 GLY 466 8.957 -2.516 4.867 156 H TYR 467 HN TYR 467 11.106 -3.424 7.184 157 HA TYR 467 HA TYR 467 9.533 -5.799 7.840 158 HB2 TYR 467 HB2 TYR 467 11.606 -6.574 7.276 159 HB3 TYR 467 HB1 TYR 467 12.416 -5.094 7.787 160 HD1 TYR 467 HD1 TYR 467 10.474 -7.965 9.221 161 HD2 TYR 467 HD2 TYR 467 13.633 -5.108 9.785 162 HE1 TYR 467 HE1 TYR 467 11.055 -9.034 11.382 163 HE2 TYR 467 HE2 TYR 467 14.213 -6.178 11.945 164 HH TYR 467 HH TYR 467 13.607 -8.988 12.826 165 H LEU 468 HN LEU 468 11.188 -3.115 9.452 166 HA LEU 468 HA LEU 468 10.593 -4.030 12.100 167 HB2 LEU 468 HB2 LEU 468 11.592 -1.426 10.958 168 HB3 LEU 468 HB1 LEU 468 11.226 -1.604 12.674 169 HG LEU 468 HG LEU 468 12.854 -3.795 11.567 170 HD11 LEU 468 HD11 LEU 468 14.926 -2.447 11.495 171 HD12 LEU 468 HD12 LEU 468 13.975 -0.982 11.741 172 HD13 LEU 468 HD13 LEU 468 13.779 -1.925 10.263 173 HD21 LEU 468 HD21 LEU 468 13.437 -1.929 13.873 174 HD22 LEU 468 HD22 LEU 468 13.953 -3.604 13.670 175 HD23 LEU 468 HD23 LEU 468 12.262 -3.236 14.009 176 H LEU 469 HN LEU 469 9.530 -0.999 10.549 177 HA LEU 469 HA LEU 469 7.433 -0.408 12.227 178 HB2 LEU 469 HB2 LEU 469 6.468 0.880 10.356 179 HB3 LEU 469 HB1 LEU 469 8.208 1.130 10.494 180 HG LEU 469 HG LEU 469 8.054 -1.062 8.823 181 HD11 LEU 469 HD11 LEU 469 6.396 -0.470 7.100 182 HD12 LEU 469 HD12 LEU 469 5.841 0.880 8.092 183 HD13 LEU 469 HD13 LEU 469 5.602 -0.777 8.644 184 HD21 LEU 469 HD21 LEU 469 9.570 0.732 8.400 185 HD22 LEU 469 HD22 LEU 469 8.260 1.907 8.281 186 HD23 LEU 469 HD23 LEU 469 8.485 0.706 7.011 187 H ASP 470 HN ASP 470 7.678 -3.092 10.188 188 HA ASP 470 HA ASP 470 4.757 -3.463 10.074 189 HB2 ASP 470 HB2 ASP 470 6.042 -3.724 7.964 190 HB3 ASP 470 HB1 ASP 470 6.943 -5.046 8.706 191 H LYS 471 HN LYS 471 7.748 -5.127 11.047 192 HA LYS 471 HA LYS 471 6.134 -7.061 12.576 193 HB2 LYS 471 HB2 LYS 471 9.100 -7.145 11.986 194 HB3 LYS 471 HB1 LYS 471 8.103 -8.448 12.631 195 HG2 LYS 471 HG2 LYS 471 7.785 -7.178 9.894 196 HG3 LYS 471 HG1 LYS 471 8.500 -8.758 10.214 197 HD2 LYS 471 HD2 LYS 471 6.223 -9.217 11.453 198 HD3 LYS 471 HD1 LYS 471 5.633 -7.899 10.440 199 HE2 LYS 471 HE2 LYS 471 6.887 -9.269 8.536 200 HE3 LYS 471 HE1 LYS 471 6.606 -10.612 9.645 201 HZ1 LYS 471 HZ1 LYS 471 4.818 -9.744 7.860 202 HZ2 LYS 471 HZ2 LYS 471 4.338 -8.862 9.230 203 HZ3 LYS 471 HZ3 LYS 471 4.408 -10.558 9.290 204 H LYS 472 HN LYS 472 6.878 -4.175 13.277 205 HA LYS 472 HA LYS 472 7.667 -4.772 16.031 206 HB2 LYS 472 HB2 LYS 472 9.752 -4.207 14.709 207 HB3 LYS 472 HB1 LYS 472 9.065 -2.602 14.460 208 HG2 LYS 472 HG2 LYS 472 10.002 -2.038 16.438 209 HG3 LYS 472 HG1 LYS 472 8.754 -3.030 17.192 210 HD2 LYS 472 HD2 LYS 472 10.245 -5.014 16.982 211 HD3 LYS 472 HD1 LYS 472 11.506 -3.964 16.329 212 HE2 LYS 472 HE2 LYS 472 11.479 -2.636 18.408 213 HE3 LYS 472 HE1 LYS 472 10.220 -3.683 19.063 214 HZ1 LYS 472 HZ1 LYS 472 12.007 -5.501 18.384 215 HZ2 LYS 472 HZ2 LYS 472 12.013 -4.740 19.902 216 HZ3 LYS 472 HZ3 LYS 472 13.061 -4.205 18.678 217 HN1 NH2 473 H1 NH2 473 5.114 -4.139 15.605 218 HN2 NH2 473 H2 NH2 473 4.783 -2.507 15.932 Start of MODEL 32 1 H1 ACE 446 HA2 ACE 446 19.124 0.218 -21.435 2 H2 ACE 446 HA3 ACE 446 20.567 1.042 -20.840 3 H3 ACE 446 HA1 ACE 446 19.275 1.968 -21.604 4 H LYS 447 HN LYS 447 17.409 -0.017 -20.091 5 HA LYS 447 HA LYS 447 17.295 1.599 -17.633 6 HB2 LYS 447 HB2 LYS 447 15.276 1.506 -19.091 7 HB3 LYS 447 HB1 LYS 447 15.193 -0.234 -18.809 8 HG2 LYS 447 HG2 LYS 447 14.878 0.098 -16.435 9 HG3 LYS 447 HG1 LYS 447 15.169 1.830 -16.592 10 HD2 LYS 447 HD2 LYS 447 12.752 1.355 -16.436 11 HD3 LYS 447 HD1 LYS 447 13.160 2.042 -18.008 12 HE2 LYS 447 HE2 LYS 447 12.878 0.015 -19.121 13 HE3 LYS 447 HE1 LYS 447 13.169 -0.939 -17.667 14 HZ1 LYS 447 HZ1 LYS 447 10.727 -0.218 -18.713 15 HZ2 LYS 447 HZ2 LYS 447 10.918 0.756 -17.335 16 HZ3 LYS 447 HZ3 LYS 447 11.016 -0.935 -17.204 17 H ASP 448 HN ASP 448 17.051 -1.779 -18.734 18 HA ASP 448 HA ASP 448 16.872 -3.014 -16.239 19 HB2 ASP 448 HB2 ASP 448 17.598 -3.816 -18.967 20 HB3 ASP 448 HB1 ASP 448 18.365 -4.787 -17.713 21 H GLN 449 HN GLN 449 19.434 -1.228 -17.551 22 HA GLN 449 HA GLN 449 21.511 -2.591 -16.016 23 HB2 GLN 449 HB2 GLN 449 21.448 -0.426 -18.074 24 HB3 GLN 449 HB1 GLN 449 22.822 -0.497 -16.970 25 HG2 GLN 449 HG2 GLN 449 21.913 -3.024 -18.294 26 HG3 GLN 449 HG1 GLN 449 22.850 -1.866 -19.237 27 HE21 GLN 449 HE21 GLN 449 24.662 -3.450 -19.258 28 HE22 GLN 449 HE22 GLN 449 25.637 -3.638 -17.881 29 H PHE 450 HN PHE 450 19.266 -0.056 -15.624 30 HA PHE 450 HA PHE 450 20.849 1.343 -13.606 31 HB2 PHE 450 HB2 PHE 450 19.601 3.068 -14.302 32 HB3 PHE 450 HB1 PHE 450 18.613 1.994 -15.292 33 HD1 PHE 450 HD2 PHE 450 16.581 0.930 -14.359 34 HD2 PHE 450 HD1 PHE 450 18.887 3.761 -12.098 35 HE1 PHE 450 HE2 PHE 450 14.698 1.192 -12.768 36 HE2 PHE 450 HE1 PHE 450 17.002 4.023 -10.507 37 HZ PHE 450 HZ PHE 450 14.908 2.740 -10.842 38 H ILE 451 HN ILE 451 18.317 -1.025 -13.847 39 HA ILE 451 HA ILE 451 17.226 -0.785 -11.248 40 HB ILE 451 HB ILE 451 17.311 -2.955 -13.318 41 HG12 ILE 451 HG12 ILE 451 14.913 -1.822 -11.893 42 HG13 ILE 451 HG11 ILE 451 15.700 -0.893 -13.169 43 HG21 ILE 451 HG21 ILE 451 17.479 -4.322 -11.405 44 HG22 ILE 451 HG22 ILE 451 15.739 -4.193 -11.657 45 HG23 ILE 451 HG23 ILE 451 16.525 -3.215 -10.418 46 HD11 ILE 451 HD11 ILE 451 13.747 -2.683 -13.674 47 HD12 ILE 451 HD12 ILE 451 15.145 -3.754 -13.765 48 HD13 ILE 451 HD13 ILE 451 15.044 -2.344 -14.820 49 H ILE 452 HN ILE 452 19.437 -3.323 -12.455 50 HA ILE 452 HA ILE 452 20.124 -4.450 -10.034 51 HB ILE 452 HB ILE 452 22.179 -5.217 -11.112 52 HG12 ILE 452 HG12 ILE 452 22.099 -4.146 -13.678 53 HG13 ILE 452 HG11 ILE 452 21.764 -2.756 -12.645 54 HG21 ILE 452 HG21 ILE 452 19.571 -5.620 -12.032 55 HG22 ILE 452 HG22 ILE 452 20.975 -6.620 -12.410 56 HG23 ILE 452 HG23 ILE 452 20.502 -5.313 -13.497 57 HD11 ILE 452 HD11 ILE 452 24.111 -4.654 -12.347 58 HD12 ILE 452 HD12 ILE 452 23.767 -3.283 -11.294 59 HD13 ILE 452 HD13 ILE 452 24.188 -3.012 -12.985 60 H ALA 453 HN ALA 453 21.077 -1.388 -11.351 61 HA ALA 453 HA ALA 453 23.303 -1.006 -9.542 62 HB1 ALA 453 HB1 ALA 453 22.781 1.480 -10.451 63 HB2 ALA 453 HB2 ALA 453 21.997 0.532 -11.715 64 HB3 ALA 453 HB3 ALA 453 23.711 0.297 -11.369 65 H TYR 454 HN TYR 454 19.894 -0.192 -9.678 66 HA TYR 454 HA TYR 454 20.092 0.855 -6.926 67 HB2 TYR 454 HB2 TYR 454 18.611 2.049 -9.265 68 HB3 TYR 454 HB1 TYR 454 18.201 2.433 -7.593 69 HD1 TYR 454 HD2 TYR 454 20.151 3.195 -6.050 70 HD2 TYR 454 HD1 TYR 454 20.343 3.208 -10.342 71 HE1 TYR 454 HE2 TYR 454 22.024 4.821 -5.963 72 HE2 TYR 454 HE1 TYR 454 22.216 4.834 -10.253 73 HH TYR 454 HH TYR 454 24.093 5.347 -7.897 74 H GLY 455 HN GLY 455 17.539 0.147 -9.322 75 HA2 GLY 455 HA2 GLY 455 15.522 -0.627 -7.644 76 HA3 GLY 455 HA1 GLY 455 15.769 -1.340 -9.235 77 H GLY 456 HN GLY 456 18.534 -2.176 -8.025 78 HA2 GLY 456 HA2 GLY 456 17.823 -4.866 -7.470 79 HA3 GLY 456 HA1 GLY 456 19.413 -4.149 -7.228 80 H LEU 457 HN LEU 457 18.425 -2.063 -5.429 81 HA LEU 457 HA LEU 457 18.516 -3.586 -2.981 82 HB2 LEU 457 HB2 LEU 457 18.657 -1.461 -1.865 83 HB3 LEU 457 HB1 LEU 457 19.672 -1.376 -3.304 84 HG LEU 457 HG LEU 457 17.219 -0.548 -4.266 85 HD11 LEU 457 HD11 LEU 457 17.626 0.610 -1.488 86 HD12 LEU 457 HD12 LEU 457 16.310 -0.462 -1.964 87 HD13 LEU 457 HD13 LEU 457 16.427 1.153 -2.660 88 HD21 LEU 457 HD21 LEU 457 19.423 0.464 -4.725 89 HD22 LEU 457 HD22 LEU 457 19.454 1.140 -3.097 90 HD23 LEU 457 HD23 LEU 457 18.252 1.699 -4.261 91 H ARG 458 HN ARG 458 16.066 -2.147 -4.954 92 HA ARG 458 HA ARG 458 14.043 -1.767 -3.024 93 HB2 ARG 458 HB2 ARG 458 14.251 -1.825 -5.933 94 HB3 ARG 458 HB1 ARG 458 12.735 -2.521 -5.368 95 HG2 ARG 458 HG2 ARG 458 12.382 -0.154 -5.681 96 HG3 ARG 458 HG1 ARG 458 12.407 -0.454 -3.946 97 HD2 ARG 458 HD2 ARG 458 14.960 0.078 -4.143 98 HD3 ARG 458 HD1 ARG 458 14.518 0.814 -5.679 99 HE ARG 458 HE ARG 458 13.421 2.516 -4.506 100 HH11 ARG 458 HH21 ARG 458 14.378 -0.087 -2.434 101 HH12 ARG 458 HH22 ARG 458 14.048 0.776 -0.970 102 HH21 ARG 458 HH11 ARG 458 12.987 3.653 -2.587 103 HH22 ARG 458 HH12 ARG 458 13.261 2.892 -1.056 104 H GLY 459 HN GLY 459 15.620 -4.542 -3.726 105 HA2 GLY 459 HA2 GLY 459 13.670 -6.515 -4.052 106 HA3 GLY 459 HA1 GLY 459 15.221 -6.758 -3.253 107 H ALA 460 HN ALA 460 14.063 -4.379 -1.480 108 HA ALA 460 HA ALA 460 12.823 -6.209 0.466 109 HB1 ALA 460 HB1 ALA 460 13.586 -3.448 1.247 110 HB2 ALA 460 HB2 ALA 460 14.903 -4.550 0.850 111 HB3 ALA 460 HB3 ALA 460 13.765 -4.962 2.133 112 H ILE 461 HN ILE 461 12.067 -3.741 -1.724 113 HA ILE 461 HA ILE 461 9.764 -2.754 -0.229 114 HB ILE 461 HB ILE 461 11.062 -2.045 -2.841 115 HG12 ILE 461 HG12 ILE 461 11.203 0.142 -1.806 116 HG13 ILE 461 HG11 ILE 461 10.157 -0.367 -0.482 117 HG21 ILE 461 HG21 ILE 461 8.817 -1.976 -3.541 118 HG22 ILE 461 HG22 ILE 461 9.100 -0.334 -2.964 119 HG23 ILE 461 HG23 ILE 461 8.239 -1.489 -1.947 120 HD11 ILE 461 HD11 ILE 461 12.754 -1.790 -1.063 121 HD12 ILE 461 HD12 ILE 461 11.806 -1.800 0.425 122 HD13 ILE 461 HD13 ILE 461 12.702 -0.354 -0.041 123 H ALA 462 HN ALA 462 10.513 -4.872 -2.930 124 HA ALA 462 HA ALA 462 7.779 -5.197 -3.765 125 HB1 ALA 462 HB1 ALA 462 10.268 -6.810 -4.366 126 HB2 ALA 462 HB2 ALA 462 9.574 -5.535 -5.368 127 HB3 ALA 462 HB3 ALA 462 8.704 -7.052 -5.143 128 H PHE 463 HN PHE 463 9.901 -6.710 -1.456 129 HA PHE 463 HA PHE 463 8.263 -9.073 -1.126 130 HB2 PHE 463 HB2 PHE 463 10.247 -9.777 -0.342 131 HB3 PHE 463 HB1 PHE 463 10.849 -8.126 -0.200 132 HD1 PHE 463 HD2 PHE 463 9.048 -10.848 1.519 133 HD2 PHE 463 HD1 PHE 463 10.641 -6.876 1.876 134 HE1 PHE 463 HE2 PHE 463 8.769 -10.957 3.982 135 HE2 PHE 463 HE1 PHE 463 10.360 -6.984 4.339 136 HZ PHE 463 HZ PHE 463 9.425 -9.026 5.391 137 H SER 464 HN SER 464 8.968 -6.155 0.796 138 HA SER 464 HA SER 464 7.339 -6.689 2.988 139 HB2 SER 464 HB2 SER 464 8.939 -4.780 2.798 140 HB3 SER 464 HB1 SER 464 7.796 -3.978 1.723 141 HG SER 464 HG SER 464 6.655 -4.915 4.024 142 H LEU 465 HN LEU 465 6.516 -5.432 -0.194 143 HA LEU 465 HA LEU 465 3.795 -4.790 0.510 144 HB2 LEU 465 HB2 LEU 465 5.497 -4.652 -1.897 145 HB3 LEU 465 HB1 LEU 465 3.787 -4.956 -2.210 146 HG LEU 465 HG LEU 465 3.153 -2.992 -0.917 147 HD11 LEU 465 HD11 LEU 465 5.377 -1.539 -0.350 148 HD12 LEU 465 HD12 LEU 465 5.993 -3.170 -0.082 149 HD13 LEU 465 HD13 LEU 465 4.588 -2.601 0.819 150 HD21 LEU 465 HD21 LEU 465 5.405 -2.462 -2.882 151 HD22 LEU 465 HD22 LEU 465 4.285 -1.230 -2.301 152 HD23 LEU 465 HD23 LEU 465 3.686 -2.584 -3.259 153 H GLY 466 HN GLY 466 5.416 -7.412 -1.259 154 HA2 GLY 466 HA2 GLY 466 2.949 -8.850 -1.709 155 HA3 GLY 466 HA1 GLY 466 4.573 -9.411 -2.088 156 H TYR 467 HN TYR 467 4.701 -8.335 1.012 157 HA TYR 467 HA TYR 467 4.586 -11.055 2.068 158 HB2 TYR 467 HB2 TYR 467 6.476 -10.077 2.933 159 HB3 TYR 467 HB1 TYR 467 5.766 -8.464 2.945 160 HD1 TYR 467 HD2 TYR 467 5.447 -11.817 4.584 161 HD2 TYR 467 HD1 TYR 467 4.935 -7.568 4.950 162 HE1 TYR 467 HE2 TYR 467 4.860 -12.093 6.978 163 HE2 TYR 467 HE1 TYR 467 4.350 -7.843 7.343 164 HH TYR 467 HH TYR 467 5.021 -9.938 9.168 165 H LEU 468 HN LEU 468 2.982 -7.934 2.478 166 HA LEU 468 HA LEU 468 1.400 -8.639 4.716 167 HB2 LEU 468 HB2 LEU 468 0.826 -6.618 2.535 168 HB3 LEU 468 HB1 LEU 468 0.039 -6.690 4.111 169 HG LEU 468 HG LEU 468 3.027 -6.568 4.038 170 HD11 LEU 468 HD11 LEU 468 1.155 -4.265 3.453 171 HD12 LEU 468 HD12 LEU 468 2.518 -4.820 2.481 172 HD13 LEU 468 HD13 LEU 468 2.806 -4.039 4.037 173 HD21 LEU 468 HD21 LEU 468 2.776 -5.728 6.185 174 HD22 LEU 468 HD22 LEU 468 1.324 -6.724 6.072 175 HD23 LEU 468 HD23 LEU 468 1.220 -4.981 5.822 176 H LEU 469 HN LEU 469 0.054 -7.962 1.501 177 HA LEU 469 HA LEU 469 -2.330 -9.291 1.774 178 HB2 LEU 469 HB2 LEU 469 -2.366 -9.480 -0.686 179 HB3 LEU 469 HB1 LEU 469 -1.793 -7.893 -0.169 180 HG LEU 469 HG LEU 469 0.538 -9.371 -0.261 181 HD11 LEU 469 HD11 LEU 469 0.554 -10.668 -2.263 182 HD12 LEU 469 HD12 LEU 469 -1.032 -10.066 -2.750 183 HD13 LEU 469 HD13 LEU 469 -0.889 -11.176 -1.386 184 HD21 LEU 469 HD21 LEU 469 0.849 -8.140 -2.484 185 HD22 LEU 469 HD22 LEU 469 0.414 -7.135 -1.102 186 HD23 LEU 469 HD23 LEU 469 -0.812 -7.576 -2.290 187 H ASP 470 HN ASP 470 0.789 -10.667 1.631 188 HA ASP 470 HA ASP 470 -0.035 -13.258 0.645 189 HB2 ASP 470 HB2 ASP 470 2.196 -12.903 0.163 190 HB3 ASP 470 HB1 ASP 470 2.500 -12.061 1.681 191 H LYS 471 HN LYS 471 0.621 -11.762 3.776 192 HA LYS 471 HA LYS 471 -0.145 -14.265 5.130 193 HB2 LYS 471 HB2 LYS 471 1.187 -11.759 6.184 194 HB3 LYS 471 HB1 LYS 471 0.764 -13.163 7.166 195 HG2 LYS 471 HG2 LYS 471 2.181 -14.094 4.865 196 HG3 LYS 471 HG1 LYS 471 3.103 -12.767 5.573 197 HD2 LYS 471 HD2 LYS 471 3.064 -13.850 7.759 198 HD3 LYS 471 HD1 LYS 471 2.034 -15.137 7.133 199 HE2 LYS 471 HE2 LYS 471 4.703 -14.555 5.861 200 HE3 LYS 471 HE1 LYS 471 4.591 -15.584 7.291 201 HZ1 LYS 471 HZ1 LYS 471 3.203 -17.092 6.161 202 HZ2 LYS 471 HZ2 LYS 471 4.475 -16.750 5.088 203 HZ3 LYS 471 HZ3 LYS 471 2.952 -16.028 4.864 204 H LYS 472 HN LYS 472 -0.688 -10.752 5.484 205 HA LYS 472 HA LYS 472 -3.149 -11.231 6.952 206 HB2 LYS 472 HB2 LYS 472 -1.841 -8.661 6.027 207 HB3 LYS 472 HB1 LYS 472 -3.255 -8.760 7.076 208 HG2 LYS 472 HG2 LYS 472 -0.842 -10.327 7.871 209 HG3 LYS 472 HG1 LYS 472 -0.782 -8.576 8.078 210 HD2 LYS 472 HD2 LYS 472 -2.792 -8.612 9.438 211 HD3 LYS 472 HD1 LYS 472 -3.021 -10.332 9.123 212 HE2 LYS 472 HE2 LYS 472 -0.358 -9.865 10.138 213 HE3 LYS 472 HE1 LYS 472 -1.551 -9.169 11.236 214 HZ1 LYS 472 HZ1 LYS 472 -1.233 -11.427 11.845 215 HZ2 LYS 472 HZ2 LYS 472 -1.428 -11.962 10.244 216 HZ3 LYS 472 HZ3 LYS 472 -2.752 -11.327 11.098 217 HN1 NH2 473 H1 NH2 473 -5.072 -9.629 6.147 218 HN2 NH2 473 H2 NH2 473 -5.462 -9.811 4.506 Start of MODEL 33 1 H1 ACE 446 HA2 ACE 446 18.202 0.765 -21.636 2 H2 ACE 446 HA3 ACE 446 19.733 0.889 -20.768 3 H3 ACE 446 HA1 ACE 446 18.923 2.347 -21.341 4 H LYS 447 HN LYS 447 17.777 -0.531 -19.566 5 HA LYS 447 HA LYS 447 17.034 1.203 -17.305 6 HB2 LYS 447 HB2 LYS 447 15.146 -0.851 -18.470 7 HB3 LYS 447 HB1 LYS 447 14.809 0.327 -17.199 8 HG2 LYS 447 HG2 LYS 447 15.503 2.082 -19.027 9 HG3 LYS 447 HG1 LYS 447 15.132 0.773 -20.151 10 HD2 LYS 447 HD2 LYS 447 13.263 1.955 -18.077 11 HD3 LYS 447 HD1 LYS 447 13.128 2.113 -19.829 12 HE2 LYS 447 HE2 LYS 447 12.785 -0.384 -18.158 13 HE3 LYS 447 HE1 LYS 447 11.608 0.376 -19.230 14 HZ1 LYS 447 HZ1 LYS 447 13.622 -0.058 -20.916 15 HZ2 LYS 447 HZ2 LYS 447 12.352 -1.160 -20.669 16 HZ3 LYS 447 HZ3 LYS 447 13.834 -1.372 -19.865 17 H ASP 448 HN ASP 448 17.577 -2.033 -18.593 18 HA ASP 448 HA ASP 448 17.360 -3.467 -16.170 19 HB2 ASP 448 HB2 ASP 448 18.230 -3.979 -18.882 20 HB3 ASP 448 HB1 ASP 448 19.302 -4.763 -17.722 21 H GLN 449 HN GLN 449 19.887 -1.481 -17.504 22 HA GLN 449 HA GLN 449 21.870 -2.438 -15.586 23 HB2 GLN 449 HB2 GLN 449 21.883 -0.705 -17.997 24 HB3 GLN 449 HB1 GLN 449 23.075 -0.333 -16.751 25 HG2 GLN 449 HG2 GLN 449 22.659 -3.145 -17.770 26 HG3 GLN 449 HG1 GLN 449 23.776 -2.027 -18.551 27 HE21 GLN 449 HE21 GLN 449 23.792 -4.499 -16.379 28 HE22 GLN 449 HE22 GLN 449 25.093 -4.023 -15.399 29 H PHE 450 HN PHE 450 19.414 -0.101 -15.750 30 HA PHE 450 HA PHE 450 20.696 1.743 -13.883 31 HB2 PHE 450 HB2 PHE 450 17.971 1.736 -15.198 32 HB3 PHE 450 HB1 PHE 450 18.523 2.981 -14.077 33 HD1 PHE 450 HD1 PHE 450 19.382 1.286 -17.294 34 HD2 PHE 450 HD2 PHE 450 19.884 4.762 -14.819 35 HE1 PHE 450 HE1 PHE 450 20.564 2.434 -19.147 36 HE2 PHE 450 HE2 PHE 450 21.066 5.910 -16.674 37 HZ PHE 450 HZ PHE 450 21.406 4.747 -18.837 38 H ILE 451 HN ILE 451 18.065 -0.622 -13.968 39 HA ILE 451 HA ILE 451 17.203 -0.128 -11.279 40 HB ILE 451 HB ILE 451 16.723 -2.442 -13.167 41 HG12 ILE 451 HG12 ILE 451 14.593 -0.565 -12.273 42 HG13 ILE 451 HG11 ILE 451 15.803 0.091 -13.377 43 HG21 ILE 451 HG21 ILE 451 16.052 -2.023 -10.316 44 HG22 ILE 451 HG22 ILE 451 16.141 -3.521 -11.243 45 HG23 ILE 451 HG23 ILE 451 14.698 -2.511 -11.335 46 HD11 ILE 451 HD11 ILE 451 13.861 -0.883 -14.589 47 HD12 ILE 451 HD12 ILE 451 14.217 -2.448 -13.858 48 HD13 ILE 451 HD13 ILE 451 15.368 -1.712 -14.973 49 H ILE 452 HN ILE 452 18.985 -2.827 -12.794 50 HA ILE 452 HA ILE 452 19.560 -4.256 -10.469 51 HB ILE 452 HB ILE 452 19.992 -4.833 -12.977 52 HG12 ILE 452 HG12 ILE 452 21.939 -5.582 -10.772 53 HG13 ILE 452 HG11 ILE 452 20.400 -6.375 -11.107 54 HG21 ILE 452 HG21 ILE 452 21.655 -2.815 -13.037 55 HG22 ILE 452 HG22 ILE 452 22.101 -4.311 -13.859 56 HG23 ILE 452 HG23 ILE 452 22.778 -3.939 -12.274 57 HD11 ILE 452 HD11 ILE 452 22.990 -6.647 -12.483 58 HD12 ILE 452 HD12 ILE 452 21.614 -6.447 -13.571 59 HD13 ILE 452 HD13 ILE 452 21.634 -7.772 -12.405 60 H ALA 453 HN ALA 453 20.581 -1.167 -11.318 61 HA ALA 453 HA ALA 453 23.120 -1.301 -9.884 62 HB1 ALA 453 HB1 ALA 453 21.991 0.394 -11.890 63 HB2 ALA 453 HB2 ALA 453 23.638 0.388 -11.259 64 HB3 ALA 453 HB3 ALA 453 22.401 1.382 -10.488 65 H TYR 454 HN TYR 454 19.834 -0.174 -9.441 66 HA TYR 454 HA TYR 454 20.461 0.387 -6.621 67 HB2 TYR 454 HB2 TYR 454 18.770 2.211 -8.343 68 HB3 TYR 454 HB1 TYR 454 19.189 2.446 -6.646 69 HD1 TYR 454 HD2 TYR 454 21.719 2.549 -6.060 70 HD2 TYR 454 HD1 TYR 454 20.159 3.081 -10.027 71 HE1 TYR 454 HE2 TYR 454 23.816 3.690 -6.732 72 HE2 TYR 454 HE1 TYR 454 22.255 4.223 -10.698 73 HH TYR 454 HH TYR 454 24.109 5.376 -9.735 74 H GLY 455 HN GLY 455 17.578 0.782 -8.676 75 HA2 GLY 455 HA2 GLY 455 15.628 -0.010 -6.965 76 HA3 GLY 455 HA1 GLY 455 15.571 -0.380 -8.686 77 H GLY 456 HN GLY 456 18.061 -2.040 -8.399 78 HA2 GLY 456 HA2 GLY 456 16.716 -4.472 -7.419 79 HA3 GLY 456 HA1 GLY 456 18.053 -4.429 -8.564 80 H LEU 457 HN LEU 457 19.835 -2.761 -7.275 81 HA LEU 457 HA LEU 457 20.899 -4.544 -5.274 82 HB2 LEU 457 HB2 LEU 457 22.470 -3.530 -6.776 83 HB3 LEU 457 HB1 LEU 457 21.856 -1.916 -6.425 84 HG LEU 457 HG LEU 457 22.734 -1.984 -4.182 85 HD11 LEU 457 HD11 LEU 457 24.075 -4.101 -3.524 86 HD12 LEU 457 HD12 LEU 457 23.168 -4.905 -4.805 87 HD13 LEU 457 HD13 LEU 457 22.316 -4.189 -3.436 88 HD21 LEU 457 HD21 LEU 457 24.338 -1.532 -6.065 89 HD22 LEU 457 HD22 LEU 457 24.812 -3.229 -6.004 90 HD23 LEU 457 HD23 LEU 457 25.110 -2.179 -4.619 91 H ARG 458 HN ARG 458 20.635 -1.001 -5.094 92 HA ARG 458 HA ARG 458 19.799 0.379 -3.448 93 HB2 ARG 458 HB2 ARG 458 18.049 -1.707 -3.391 94 HB3 ARG 458 HB1 ARG 458 18.710 -1.782 -1.758 95 HG2 ARG 458 HG2 ARG 458 16.903 -0.286 -1.540 96 HG3 ARG 458 HG1 ARG 458 18.296 0.782 -1.702 97 HD2 ARG 458 HD2 ARG 458 17.068 1.755 -3.350 98 HD3 ARG 458 HD1 ARG 458 17.628 0.399 -4.323 99 HE ARG 458 HE ARG 458 15.485 -0.528 -4.199 100 HH11 ARG 458 HH21 ARG 458 15.866 2.154 -2.045 101 HH12 ARG 458 HH22 ARG 458 14.178 2.275 -1.677 102 HH21 ARG 458 HH11 ARG 458 13.269 -0.375 -3.721 103 HH22 ARG 458 HH12 ARG 458 12.708 0.844 -2.626 104 H GLY 459 HN GLY 459 21.282 -2.657 -2.433 105 HA2 GLY 459 HA2 GLY 459 23.233 -2.867 -1.141 106 HA3 GLY 459 HA1 GLY 459 23.077 -1.177 -0.669 107 H ALA 460 HN ALA 460 20.071 -2.243 -0.267 108 HA ALA 460 HA ALA 460 20.533 -3.263 2.473 109 HB1 ALA 460 HB1 ALA 460 18.455 -1.267 1.551 110 HB2 ALA 460 HB2 ALA 460 19.821 -0.943 2.619 111 HB3 ALA 460 HB3 ALA 460 18.510 -1.992 3.158 112 H ILE 461 HN ILE 461 18.806 -3.482 -0.508 113 HA ILE 461 HA ILE 461 16.849 -5.365 0.575 114 HB ILE 461 HB ILE 461 17.236 -3.979 -2.059 115 HG12 ILE 461 HG12 ILE 461 14.964 -3.253 -1.646 116 HG13 ILE 461 HG11 ILE 461 14.796 -4.384 -0.302 117 HG21 ILE 461 HG21 ILE 461 16.794 -6.141 -2.877 118 HG22 ILE 461 HG22 ILE 461 15.189 -5.423 -2.761 119 HG23 ILE 461 HG23 ILE 461 15.746 -6.541 -1.517 120 HD11 ILE 461 HD11 ILE 461 15.315 -1.909 0.263 121 HD12 ILE 461 HD12 ILE 461 16.947 -2.272 -0.293 122 HD13 ILE 461 HD13 ILE 461 16.266 -3.152 1.075 123 H ALA 462 HN ALA 462 19.372 -5.316 -1.944 124 HA ALA 462 HA ALA 462 19.320 -7.921 -2.788 125 HB1 ALA 462 HB1 ALA 462 21.808 -7.685 -3.123 126 HB2 ALA 462 HB2 ALA 462 21.709 -6.140 -2.279 127 HB3 ALA 462 HB3 ALA 462 20.847 -6.371 -3.800 128 H PHE 463 HN PHE 463 20.793 -6.658 0.171 129 HA PHE 463 HA PHE 463 21.966 -9.139 0.969 130 HB2 PHE 463 HB2 PHE 463 22.988 -7.649 2.303 131 HB3 PHE 463 HB1 PHE 463 21.735 -6.440 2.024 132 HD1 PHE 463 HD2 PHE 463 19.733 -6.338 3.452 133 HD2 PHE 463 HD1 PHE 463 22.877 -9.167 4.197 134 HE1 PHE 463 HE2 PHE 463 18.815 -6.761 5.717 135 HE2 PHE 463 HE1 PHE 463 21.959 -9.592 6.462 136 HZ PHE 463 HZ PHE 463 19.928 -8.388 7.222 137 H SER 464 HN SER 464 18.866 -7.568 1.532 138 HA SER 464 HA SER 464 17.969 -9.405 3.529 139 HB2 SER 464 HB2 SER 464 15.858 -8.312 3.342 140 HB3 SER 464 HB1 SER 464 17.080 -7.061 3.132 141 HG SER 464 HG SER 464 16.750 -7.143 0.932 142 H LEU 465 HN LEU 465 18.502 -9.742 0.247 143 HA LEU 465 HA LEU 465 16.299 -11.600 -0.231 144 HB2 LEU 465 HB2 LEU 465 18.245 -10.129 -1.871 145 HB3 LEU 465 HB1 LEU 465 17.961 -11.780 -2.418 146 HG LEU 465 HG LEU 465 16.400 -10.088 -3.435 147 HD11 LEU 465 HD11 LEU 465 15.031 -11.856 -3.661 148 HD12 LEU 465 HD12 LEU 465 14.396 -11.582 -2.039 149 HD13 LEU 465 HD13 LEU 465 15.797 -12.626 -2.272 150 HD21 LEU 465 HD21 LEU 465 15.111 -8.710 -2.161 151 HD22 LEU 465 HD22 LEU 465 16.292 -9.058 -0.897 152 HD23 LEU 465 HD23 LEU 465 14.781 -9.967 -0.968 153 H GLY 466 HN GLY 466 19.866 -11.695 -0.359 154 HA2 GLY 466 HA2 GLY 466 19.904 -14.581 -0.443 155 HA3 GLY 466 HA1 GLY 466 21.304 -13.518 -0.338 156 H TYR 467 HN TYR 467 19.849 -12.171 2.012 157 HA TYR 467 HA TYR 467 21.254 -13.269 4.113 158 HB2 TYR 467 HB2 TYR 467 20.346 -11.287 4.777 159 HB3 TYR 467 HB1 TYR 467 18.857 -11.547 3.869 160 HD1 TYR 467 HD1 TYR 467 20.728 -12.798 6.860 161 HD2 TYR 467 HD2 TYR 467 16.907 -12.235 4.982 162 HE1 TYR 467 HE1 TYR 467 19.597 -13.558 8.934 163 HE2 TYR 467 HE2 TYR 467 15.775 -12.993 7.053 164 HH TYR 467 HH TYR 467 16.680 -12.971 9.755 165 H LEU 468 HN LEU 468 18.238 -14.336 2.711 166 HA LEU 468 HA LEU 468 17.542 -16.107 4.861 167 HB2 LEU 468 HB2 LEU 468 16.561 -15.964 2.002 168 HB3 LEU 468 HB1 LEU 468 15.851 -16.971 3.266 169 HG LEU 468 HG LEU 468 16.099 -14.338 4.321 170 HD11 LEU 468 HD11 LEU 468 16.220 -13.511 2.024 171 HD12 LEU 468 HD12 LEU 468 14.642 -13.116 2.707 172 HD13 LEU 468 HD13 LEU 468 14.804 -14.463 1.580 173 HD21 LEU 468 HD21 LEU 468 13.641 -14.531 4.462 174 HD22 LEU 468 HD22 LEU 468 14.416 -16.042 4.938 175 HD23 LEU 468 HD23 LEU 468 13.682 -15.893 3.342 176 H LEU 469 HN LEU 469 18.276 -16.892 1.458 177 HA LEU 469 HA LEU 469 18.900 -19.588 1.952 178 HB2 LEU 469 HB2 LEU 469 19.835 -19.611 -0.294 179 HB3 LEU 469 HB1 LEU 469 18.352 -18.654 -0.286 180 HG LEU 469 HG LEU 469 20.276 -16.772 0.328 181 HD11 LEU 469 HD11 LEU 469 22.156 -17.084 -1.099 182 HD12 LEU 469 HD12 LEU 469 21.402 -18.449 -1.921 183 HD13 LEU 469 HD13 LEU 469 21.962 -18.620 -0.257 184 HD21 LEU 469 HD21 LEU 469 19.014 -17.628 -2.287 185 HD22 LEU 469 HD22 LEU 469 20.011 -16.177 -2.158 186 HD23 LEU 469 HD23 LEU 469 18.521 -16.311 -1.221 187 H ASP 470 HN ASP 470 20.576 -16.866 2.897 188 HA ASP 470 HA ASP 470 23.224 -18.122 2.716 189 HB2 ASP 470 HB2 ASP 470 23.078 -15.759 2.105 190 HB3 ASP 470 HB1 ASP 470 22.386 -15.378 3.681 191 H LYS 471 HN LYS 471 20.765 -17.179 5.039 192 HA LYS 471 HA LYS 471 22.430 -18.229 7.240 193 HB2 LYS 471 HB2 LYS 471 19.911 -16.550 7.345 194 HB3 LYS 471 HB1 LYS 471 20.876 -17.050 8.733 195 HG2 LYS 471 HG2 LYS 471 21.892 -15.351 6.432 196 HG3 LYS 471 HG1 LYS 471 21.410 -14.728 8.009 197 HD2 LYS 471 HD2 LYS 471 23.144 -16.550 8.876 198 HD3 LYS 471 HD1 LYS 471 23.819 -16.339 7.260 199 HE2 LYS 471 HE2 LYS 471 23.332 -14.150 9.301 200 HE3 LYS 471 HE1 LYS 471 24.901 -14.777 8.792 201 HZ1 LYS 471 HZ1 LYS 471 23.171 -12.888 7.489 202 HZ2 LYS 471 HZ2 LYS 471 23.709 -14.121 6.453 203 HZ3 LYS 471 HZ3 LYS 471 24.834 -13.156 7.283 204 H LYS 472 HN LYS 472 19.103 -18.325 5.963 205 HA LYS 472 HA LYS 472 18.318 -20.514 7.641 206 HB2 LYS 472 HB2 LYS 472 17.108 -18.936 5.436 207 HB3 LYS 472 HB1 LYS 472 16.476 -20.564 5.677 208 HG2 LYS 472 HG2 LYS 472 16.846 -18.732 8.035 209 HG3 LYS 472 HG1 LYS 472 15.412 -18.583 7.017 210 HD2 LYS 472 HD2 LYS 472 16.134 -21.340 7.863 211 HD3 LYS 472 HD1 LYS 472 15.538 -20.266 9.129 212 HE2 LYS 472 HE2 LYS 472 13.780 -21.632 7.831 213 HE3 LYS 472 HE1 LYS 472 13.480 -19.903 8.009 214 HZ1 LYS 472 HZ1 LYS 472 13.117 -20.587 5.740 215 HZ2 LYS 472 HZ2 LYS 472 14.683 -21.241 5.645 216 HZ3 LYS 472 HZ3 LYS 472 14.468 -19.565 5.815 217 HN1 NH2 473 H1 NH2 473 17.801 -20.835 4.161 218 HN2 NH2 473 H2 NH2 473 18.675 -22.279 3.989 Start of MODEL 34 1 H1 ACE 446 HA2 ACE 446 20.976 0.438 -21.147 2 H2 ACE 446 HA3 ACE 446 19.643 1.020 -22.146 3 H3 ACE 446 HA1 ACE 446 19.684 -0.665 -21.625 4 H LYS 447 HN LYS 447 17.815 -0.742 -20.436 5 HA LYS 447 HA LYS 447 17.447 1.237 -18.285 6 HB2 LYS 447 HB2 LYS 447 15.570 0.780 -19.903 7 HB3 LYS 447 HB1 LYS 447 15.487 -0.854 -19.246 8 HG2 LYS 447 HG2 LYS 447 15.140 0.116 -16.973 9 HG3 LYS 447 HG1 LYS 447 15.107 1.725 -17.697 10 HD2 LYS 447 HD2 LYS 447 12.844 1.271 -17.703 11 HD3 LYS 447 HD1 LYS 447 13.278 0.578 -19.266 12 HE2 LYS 447 HE2 LYS 447 13.756 -1.585 -17.820 13 HE3 LYS 447 HE1 LYS 447 12.645 -0.814 -16.687 14 HZ1 LYS 447 HZ1 LYS 447 11.165 -1.919 -17.980 15 HZ2 LYS 447 HZ2 LYS 447 12.140 -1.857 -19.371 16 HZ3 LYS 447 HZ3 LYS 447 11.263 -0.487 -18.883 17 H ASP 448 HN ASP 448 17.545 -2.261 -18.886 18 HA ASP 448 HA ASP 448 17.126 -3.145 -16.263 19 HB2 ASP 448 HB2 ASP 448 17.996 -5.236 -16.972 20 HB3 ASP 448 HB1 ASP 448 17.243 -4.536 -18.402 21 H GLN 449 HN GLN 449 19.724 -1.389 -17.562 22 HA GLN 449 HA GLN 449 21.694 -2.357 -15.643 23 HB2 GLN 449 HB2 GLN 449 21.706 -0.457 -17.954 24 HB3 GLN 449 HB1 GLN 449 22.958 -0.297 -16.719 25 HG2 GLN 449 HG2 GLN 449 22.315 -2.967 -17.973 26 HG3 GLN 449 HG1 GLN 449 23.464 -1.853 -18.715 27 HE21 GLN 449 HE21 GLN 449 25.376 -1.209 -17.335 28 HE22 GLN 449 HE22 GLN 449 25.927 -2.291 -16.149 29 H PHE 450 HN PHE 450 19.154 -0.168 -15.651 30 HA PHE 450 HA PHE 450 20.406 1.737 -13.823 31 HB2 PHE 450 HB2 PHE 450 18.156 1.764 -15.613 32 HB3 PHE 450 HB1 PHE 450 17.625 2.199 -13.989 33 HD1 PHE 450 HD2 PHE 450 19.023 3.962 -12.711 34 HD2 PHE 450 HD1 PHE 450 19.282 3.338 -16.952 35 HE1 PHE 450 HE2 PHE 450 20.029 6.212 -12.981 36 HE2 PHE 450 HE1 PHE 450 20.288 5.588 -17.222 37 HZ PHE 450 HZ PHE 450 20.662 7.026 -15.236 38 H ILE 451 HN ILE 451 17.742 -0.617 -13.828 39 HA ILE 451 HA ILE 451 17.026 -0.278 -11.111 40 HB ILE 451 HB ILE 451 16.676 -2.665 -12.940 41 HG12 ILE 451 HG12 ILE 451 14.249 -1.308 -12.417 42 HG13 ILE 451 HG11 ILE 451 15.433 -0.058 -12.800 43 HG21 ILE 451 HG21 ILE 451 16.361 -3.492 -10.747 44 HG22 ILE 451 HG22 ILE 451 14.734 -3.069 -11.279 45 HG23 ILE 451 HG23 ILE 451 15.615 -1.991 -10.197 46 HD11 ILE 451 HD11 ILE 451 14.909 -2.528 -14.481 47 HD12 ILE 451 HD12 ILE 451 16.038 -1.228 -14.869 48 HD13 ILE 451 HD13 ILE 451 14.303 -0.911 -14.840 49 H ILE 452 HN ILE 452 18.897 -2.895 -12.670 50 HA ILE 452 HA ILE 452 19.643 -4.330 -10.451 51 HB ILE 452 HB ILE 452 20.209 -4.924 -12.804 52 HG12 ILE 452 HG12 ILE 452 22.668 -4.808 -11.036 53 HG13 ILE 452 HG11 ILE 452 21.341 -5.939 -10.770 54 HG21 ILE 452 HG21 ILE 452 21.044 -2.582 -13.342 55 HG22 ILE 452 HG22 ILE 452 22.074 -3.895 -13.910 56 HG23 ILE 452 HG23 ILE 452 22.516 -2.993 -12.461 57 HD11 ILE 452 HD11 ILE 452 21.668 -6.917 -12.975 58 HD12 ILE 452 HD12 ILE 452 23.207 -6.927 -12.112 59 HD13 ILE 452 HD13 ILE 452 22.902 -5.717 -13.359 60 H ALA 453 HN ALA 453 20.816 -1.213 -11.508 61 HA ALA 453 HA ALA 453 23.110 -1.132 -9.794 62 HB1 ALA 453 HB1 ALA 453 23.357 1.109 -10.496 63 HB2 ALA 453 HB2 ALA 453 21.635 1.279 -10.840 64 HB3 ALA 453 HB3 ALA 453 22.651 0.290 -11.889 65 H TYR 454 HN TYR 454 19.730 -0.214 -9.501 66 HA TYR 454 HA TYR 454 20.073 1.193 -7.011 67 HB2 TYR 454 HB2 TYR 454 17.795 0.403 -8.751 68 HB3 TYR 454 HB1 TYR 454 17.444 0.677 -7.045 69 HD1 TYR 454 HD1 TYR 454 19.769 2.270 -9.527 70 HD2 TYR 454 HD2 TYR 454 16.596 2.824 -6.683 71 HE1 TYR 454 HE1 TYR 454 19.854 4.718 -9.909 72 HE2 TYR 454 HE2 TYR 454 16.682 5.271 -7.066 73 HH TYR 454 HH TYR 454 17.692 6.931 -8.128 74 H GLY 455 HN GLY 455 18.542 -1.909 -7.899 75 HA2 GLY 455 HA2 GLY 455 19.423 -3.794 -6.391 76 HA3 GLY 455 HA1 GLY 455 18.815 -2.776 -5.089 77 H GLY 456 HN GLY 456 17.288 -3.199 -8.244 78 HA2 GLY 456 HA2 GLY 456 15.085 -3.745 -8.729 79 HA3 GLY 456 HA1 GLY 456 15.522 -5.232 -7.892 80 H LEU 457 HN LEU 457 15.482 -2.147 -6.253 81 HA LEU 457 HA LEU 457 13.557 -3.138 -4.338 82 HB2 LEU 457 HB2 LEU 457 13.940 -1.004 -3.193 83 HB3 LEU 457 HB1 LEU 457 15.472 -1.761 -3.625 84 HG LEU 457 HG LEU 457 14.843 -0.251 -5.870 85 HD11 LEU 457 HD11 LEU 457 14.217 1.334 -3.361 86 HD12 LEU 457 HD12 LEU 457 13.042 0.867 -4.589 87 HD13 LEU 457 HD13 LEU 457 14.338 1.993 -4.991 88 HD21 LEU 457 HD21 LEU 457 17.076 -0.426 -5.006 89 HD22 LEU 457 HD22 LEU 457 16.605 0.289 -3.465 90 HD23 LEU 457 HD23 LEU 457 16.650 1.283 -4.920 91 H ARG 458 HN ARG 458 13.538 -1.092 -7.146 92 HA ARG 458 HA ARG 458 11.372 0.551 -6.805 93 HB2 ARG 458 HB2 ARG 458 12.495 -0.909 -9.148 94 HB3 ARG 458 HB1 ARG 458 10.904 -0.173 -9.333 95 HG2 ARG 458 HG2 ARG 458 12.689 1.397 -9.998 96 HG3 ARG 458 HG1 ARG 458 11.814 1.997 -8.588 97 HD2 ARG 458 HD2 ARG 458 13.567 1.311 -7.102 98 HD3 ARG 458 HD1 ARG 458 14.373 0.395 -8.375 99 HE ARG 458 HE ARG 458 15.390 2.366 -9.025 100 HH11 ARG 458 HH21 ARG 458 12.489 3.028 -7.259 101 HH12 ARG 458 HH22 ARG 458 12.712 4.745 -7.266 102 HH21 ARG 458 HH11 ARG 458 15.690 4.617 -9.038 103 HH22 ARG 458 HH12 ARG 458 14.524 5.645 -8.272 104 H GLY 459 HN GLY 459 11.401 -2.862 -6.733 105 HA2 GLY 459 HA2 GLY 459 9.019 -3.760 -7.671 106 HA3 GLY 459 HA1 GLY 459 9.695 -4.319 -6.142 107 H ALA 460 HN ALA 460 9.515 -1.681 -4.887 108 HA ALA 460 HA ALA 460 6.927 -1.898 -3.758 109 HB1 ALA 460 HB1 ALA 460 8.786 -0.940 -2.502 110 HB2 ALA 460 HB2 ALA 460 7.485 0.242 -2.637 111 HB3 ALA 460 HB3 ALA 460 8.914 0.382 -3.661 112 H ILE 461 HN ILE 461 8.268 0.868 -5.571 113 HA ILE 461 HA ILE 461 5.834 2.144 -6.048 114 HB ILE 461 HB ILE 461 8.492 2.170 -7.447 115 HG12 ILE 461 HG12 ILE 461 8.476 4.497 -6.627 116 HG13 ILE 461 HG11 ILE 461 6.846 4.266 -5.991 117 HG21 ILE 461 HG21 ILE 461 5.888 3.376 -8.359 118 HG22 ILE 461 HG22 ILE 461 7.115 2.542 -9.314 119 HG23 ILE 461 HG23 ILE 461 7.418 4.176 -8.720 120 HD11 ILE 461 HD11 ILE 461 9.152 2.497 -5.162 121 HD12 ILE 461 HD12 ILE 461 7.589 2.693 -4.367 122 HD13 ILE 461 HD13 ILE 461 8.773 3.998 -4.317 123 H ALA 462 HN ALA 462 7.616 -0.143 -8.114 124 HA ALA 462 HA ALA 462 6.032 -0.225 -10.343 125 HB1 ALA 462 HB1 ALA 462 7.148 -2.133 -10.867 126 HB2 ALA 462 HB2 ALA 462 6.794 -2.888 -9.313 127 HB3 ALA 462 HB3 ALA 462 8.109 -1.720 -9.448 128 H PHE 463 HN PHE 463 5.367 -1.640 -7.187 129 HA PHE 463 HA PHE 463 2.906 -2.882 -8.155 130 HB2 PHE 463 HB2 PHE 463 3.549 -4.332 -6.555 131 HB3 PHE 463 HB1 PHE 463 4.646 -3.161 -5.822 132 HD1 PHE 463 HD1 PHE 463 1.156 -4.382 -5.927 133 HD2 PHE 463 HD2 PHE 463 3.935 -1.723 -4.013 134 HE1 PHE 463 HE1 PHE 463 -0.478 -3.987 -4.105 135 HE2 PHE 463 HE2 PHE 463 2.301 -1.329 -2.189 136 HZ PHE 463 HZ PHE 463 0.095 -2.459 -2.235 137 H SER 464 HN SER 464 3.981 -0.044 -6.465 138 HA SER 464 HA SER 464 1.539 0.651 -5.204 139 HB2 SER 464 HB2 SER 464 3.904 1.618 -4.820 140 HB3 SER 464 HB1 SER 464 3.550 2.661 -6.195 141 HG SER 464 HG SER 464 2.956 3.553 -4.127 142 H LEU 465 HN LEU 465 2.847 1.225 -8.423 143 HA LEU 465 HA LEU 465 0.578 2.918 -9.147 144 HB2 LEU 465 HB2 LEU 465 1.724 3.263 -11.241 145 HB3 LEU 465 HB1 LEU 465 2.904 3.421 -9.941 146 HG LEU 465 HG LEU 465 3.003 0.720 -10.489 147 HD11 LEU 465 HD11 LEU 465 2.949 2.117 -13.167 148 HD12 LEU 465 HD12 LEU 465 1.524 1.305 -12.519 149 HD13 LEU 465 HD13 LEU 465 2.994 0.386 -12.842 150 HD21 LEU 465 HD21 LEU 465 5.113 1.387 -11.783 151 HD22 LEU 465 HD22 LEU 465 4.981 2.014 -10.139 152 HD23 LEU 465 HD23 LEU 465 4.625 3.060 -11.513 153 H GLY 466 HN GLY 466 1.618 -0.373 -9.408 154 HA2 GLY 466 HA2 GLY 466 -0.316 -1.001 -11.508 155 HA3 GLY 466 HA1 GLY 466 0.838 -2.117 -10.786 156 H TYR 467 HN TYR 467 -0.527 -0.451 -8.294 157 HA TYR 467 HA TYR 467 -2.271 -2.696 -7.625 158 HB2 TYR 467 HB2 TYR 467 -1.033 -2.169 -5.752 159 HB3 TYR 467 HB1 TYR 467 -1.011 -0.445 -6.120 160 HD1 TYR 467 HD2 TYR 467 -3.224 -3.229 -4.998 161 HD2 TYR 467 HD1 TYR 467 -2.635 1.021 -5.206 162 HE1 TYR 467 HE2 TYR 467 -5.170 -2.886 -3.499 163 HE2 TYR 467 HE1 TYR 467 -4.581 1.365 -3.709 164 HH TYR 467 HH TYR 467 -5.936 -1.059 -1.874 165 H LEU 468 HN LEU 468 -2.465 0.790 -8.204 166 HA LEU 468 HA LEU 468 -5.154 1.162 -7.479 167 HB2 LEU 468 HB2 LEU 468 -3.569 2.630 -9.599 168 HB3 LEU 468 HB1 LEU 468 -5.051 3.200 -8.834 169 HG LEU 468 HG LEU 468 -2.756 2.425 -7.074 170 HD11 LEU 468 HD11 LEU 468 -1.590 3.805 -8.629 171 HD12 LEU 468 HD12 LEU 468 -1.994 4.853 -7.268 172 HD13 LEU 468 HD13 LEU 468 -2.943 4.931 -8.753 173 HD21 LEU 468 HD21 LEU 468 -3.702 4.236 -5.696 174 HD22 LEU 468 HD22 LEU 468 -4.952 3.071 -6.134 175 HD23 LEU 468 HD23 LEU 468 -4.852 4.617 -6.977 176 H LEU 469 HN LEU 469 -3.934 1.107 -10.837 177 HA LEU 469 HA LEU 469 -6.360 0.771 -12.108 178 HB2 LEU 469 HB2 LEU 469 -4.535 -0.810 -13.573 179 HB3 LEU 469 HB1 LEU 469 -4.989 0.866 -13.874 180 HG LEU 469 HG LEU 469 -2.837 0.097 -11.884 181 HD11 LEU 469 HD11 LEU 469 -2.217 -0.721 -14.129 182 HD12 LEU 469 HD12 LEU 469 -1.217 0.651 -13.653 183 HD13 LEU 469 HD13 LEU 469 -2.537 0.878 -14.799 184 HD21 LEU 469 HD21 LEU 469 -2.505 2.356 -11.664 185 HD22 LEU 469 HD22 LEU 469 -4.172 2.457 -12.230 186 HD23 LEU 469 HD23 LEU 469 -2.841 2.667 -13.366 187 H ASP 470 HN ASP 470 -4.609 -1.499 -10.210 188 HA ASP 470 HA ASP 470 -5.864 -3.856 -11.294 189 HB2 ASP 470 HB2 ASP 470 -3.854 -3.234 -9.275 190 HB3 ASP 470 HB1 ASP 470 -4.956 -4.507 -8.755 191 H LYS 471 HN LYS 471 -6.395 -1.685 -8.570 192 HA LYS 471 HA LYS 471 -8.869 -3.165 -7.905 193 HB2 LYS 471 HB2 LYS 471 -7.216 -1.304 -6.181 194 HB3 LYS 471 HB1 LYS 471 -8.696 -2.124 -5.680 195 HG2 LYS 471 HG2 LYS 471 -7.079 -4.150 -6.753 196 HG3 LYS 471 HG1 LYS 471 -5.983 -3.154 -5.795 197 HD2 LYS 471 HD2 LYS 471 -7.490 -3.333 -3.859 198 HD3 LYS 471 HD1 LYS 471 -8.613 -4.304 -4.813 199 HE2 LYS 471 HE2 LYS 471 -5.741 -5.055 -4.189 200 HE3 LYS 471 HE1 LYS 471 -7.165 -5.731 -3.401 201 HZ1 LYS 471 HZ1 LYS 471 -7.320 -7.184 -5.043 202 HZ2 LYS 471 HZ2 LYS 471 -5.988 -6.490 -5.835 203 HZ3 LYS 471 HZ3 LYS 471 -7.557 -5.923 -6.150 204 H LYS 472 HN LYS 472 -7.705 0.168 -7.403 205 HA LYS 472 HA LYS 472 -10.321 1.267 -7.796 206 HB2 LYS 472 HB2 LYS 472 -7.614 2.616 -7.665 207 HB3 LYS 472 HB1 LYS 472 -9.170 3.445 -7.609 208 HG2 LYS 472 HG2 LYS 472 -8.955 1.232 -5.689 209 HG3 LYS 472 HG1 LYS 472 -7.791 2.526 -5.404 210 HD2 LYS 472 HD2 LYS 472 -9.562 4.182 -5.331 211 HD3 LYS 472 HD1 LYS 472 -10.762 2.977 -5.802 212 HE2 LYS 472 HE2 LYS 472 -9.252 2.097 -3.481 213 HE3 LYS 472 HE1 LYS 472 -10.020 3.656 -3.186 214 HZ1 LYS 472 HZ1 LYS 472 -11.240 1.233 -3.043 215 HZ2 LYS 472 HZ2 LYS 472 -11.726 1.813 -4.564 216 HZ3 LYS 472 HZ3 LYS 472 -12.028 2.729 -3.167 217 HN1 NH2 473 H1 NH2 473 -8.141 0.085 -10.053 218 HN2 NH2 473 H2 NH2 473 -8.604 1.034 -11.383 Start of MODEL 35 1 H1 ACE 446 HA2 ACE 446 21.354 0.961 -19.701 2 H2 ACE 446 HA3 ACE 446 20.773 2.401 -20.539 3 H3 ACE 446 HA1 ACE 446 20.234 0.802 -21.055 4 H LYS 447 HN LYS 447 18.404 -0.008 -20.182 5 HA LYS 447 HA LYS 447 17.101 1.562 -18.064 6 HB2 LYS 447 HB2 LYS 447 16.117 0.700 -20.455 7 HB3 LYS 447 HB1 LYS 447 15.603 -0.611 -19.399 8 HG2 LYS 447 HG2 LYS 447 15.078 2.338 -18.888 9 HG3 LYS 447 HG1 LYS 447 13.903 1.208 -19.552 10 HD2 LYS 447 HD2 LYS 447 15.228 0.940 -16.832 11 HD3 LYS 447 HD1 LYS 447 13.591 1.526 -17.112 12 HE2 LYS 447 HE2 LYS 447 13.386 -0.778 -18.445 13 HE3 LYS 447 HE1 LYS 447 14.675 -1.248 -17.338 14 HZ1 LYS 447 HZ1 LYS 447 12.071 -1.344 -16.741 15 HZ2 LYS 447 HZ2 LYS 447 12.478 0.184 -16.120 16 HZ3 LYS 447 HZ3 LYS 447 13.305 -1.202 -15.586 17 H ASP 448 HN ASP 448 17.461 -1.864 -19.013 18 HA ASP 448 HA ASP 448 16.712 -2.869 -16.455 19 HB2 ASP 448 HB2 ASP 448 16.421 -4.421 -18.166 20 HB3 ASP 448 HB1 ASP 448 17.974 -4.042 -18.910 21 H GLN 449 HN GLN 449 19.564 -1.439 -17.614 22 HA GLN 449 HA GLN 449 21.324 -2.815 -15.737 23 HB2 GLN 449 HB2 GLN 449 21.750 -0.682 -17.826 24 HB3 GLN 449 HB1 GLN 449 23.012 -1.135 -16.680 25 HG2 GLN 449 HG2 GLN 449 21.568 -3.197 -18.345 26 HG3 GLN 449 HG1 GLN 449 22.999 -2.361 -18.944 27 HE21 GLN 449 HE21 GLN 449 22.318 -5.259 -17.766 28 HE22 GLN 449 HE22 GLN 449 23.658 -5.544 -16.765 29 H PHE 450 HN PHE 450 19.227 -0.163 -15.739 30 HA PHE 450 HA PHE 450 20.721 1.407 -13.799 31 HB2 PHE 450 HB2 PHE 450 19.481 3.028 -14.725 32 HB3 PHE 450 HB1 PHE 450 18.483 1.843 -15.569 33 HD1 PHE 450 HD2 PHE 450 18.929 3.647 -12.347 34 HD2 PHE 450 HD1 PHE 450 16.319 1.237 -14.762 35 HE1 PHE 450 HE2 PHE 450 17.060 4.102 -10.781 36 HE2 PHE 450 HE1 PHE 450 14.451 1.693 -13.197 37 HZ PHE 450 HZ PHE 450 14.820 3.124 -11.208 38 H ILE 451 HN ILE 451 18.439 -1.150 -13.814 39 HA ILE 451 HA ILE 451 17.304 -0.611 -11.217 40 HB ILE 451 HB ILE 451 17.203 -2.934 -13.129 41 HG12 ILE 451 HG12 ILE 451 14.945 -1.355 -11.887 42 HG13 ILE 451 HG11 ILE 451 15.798 -0.768 -13.315 43 HG21 ILE 451 HG21 ILE 451 17.169 -4.139 -11.127 44 HG22 ILE 451 HG22 ILE 451 15.458 -3.771 -11.346 45 HG23 ILE 451 HG23 ILE 451 16.431 -2.815 -10.226 46 HD11 ILE 451 HD11 ILE 451 15.151 -2.659 -14.608 47 HD12 ILE 451 HD12 ILE 451 13.693 -2.163 -13.749 48 HD13 ILE 451 HD13 ILE 451 14.623 -3.549 -13.179 49 H ILE 452 HN ILE 452 19.470 -3.166 -12.464 50 HA ILE 452 HA ILE 452 20.127 -4.324 -10.015 51 HB ILE 452 HB ILE 452 22.101 -5.217 -11.142 52 HG12 ILE 452 HG12 ILE 452 21.450 -3.078 -13.191 53 HG13 ILE 452 HG11 ILE 452 22.937 -3.247 -12.257 54 HG21 ILE 452 HG21 ILE 452 20.160 -5.152 -13.391 55 HG22 ILE 452 HG22 ILE 452 19.526 -5.689 -11.834 56 HG23 ILE 452 HG23 ILE 452 20.887 -6.533 -12.573 57 HD11 ILE 452 HD11 ILE 452 22.913 -5.669 -13.413 58 HD12 ILE 452 HD12 ILE 452 23.639 -4.265 -14.197 59 HD13 ILE 452 HD13 ILE 452 22.011 -4.779 -14.640 60 H ALA 453 HN ALA 453 20.852 -1.221 -11.141 61 HA ALA 453 HA ALA 453 23.314 -0.931 -9.601 62 HB1 ALA 453 HB1 ALA 453 23.205 1.431 -10.411 63 HB2 ALA 453 HB2 ALA 453 21.697 1.039 -11.235 64 HB3 ALA 453 HB3 ALA 453 23.197 0.245 -11.716 65 H TYR 454 HN TYR 454 19.918 -0.445 -9.228 66 HA TYR 454 HA TYR 454 20.343 0.482 -6.494 67 HB2 TYR 454 HB2 TYR 454 18.595 2.037 -8.416 68 HB3 TYR 454 HB1 TYR 454 18.869 2.400 -6.712 69 HD1 TYR 454 HD1 TYR 454 21.312 2.819 -5.965 70 HD2 TYR 454 HD2 TYR 454 20.027 2.915 -10.062 71 HE1 TYR 454 HE1 TYR 454 23.332 4.125 -6.566 72 HE2 TYR 454 HE2 TYR 454 22.048 4.222 -10.665 73 HH TYR 454 HH TYR 454 24.436 5.160 -8.184 74 H GLY 455 HN GLY 455 17.639 0.298 -8.822 75 HA2 GLY 455 HA2 GLY 455 15.632 -0.503 -7.135 76 HA3 GLY 455 HA1 GLY 455 15.738 -1.016 -8.817 77 H GLY 456 HN GLY 456 18.383 -2.342 -8.169 78 HA2 GLY 456 HA2 GLY 456 17.218 -4.854 -7.178 79 HA3 GLY 456 HA1 GLY 456 18.709 -4.700 -8.104 80 H LEU 457 HN LEU 457 19.739 -2.498 -6.497 81 HA LEU 457 HA LEU 457 20.864 -4.082 -4.342 82 HB2 LEU 457 HB2 LEU 457 22.416 -2.734 -5.575 83 HB3 LEU 457 HB1 LEU 457 21.420 -1.294 -5.374 84 HG LEU 457 HG LEU 457 21.891 -1.200 -3.013 85 HD11 LEU 457 HD11 LEU 457 23.519 -2.988 -2.082 86 HD12 LEU 457 HD12 LEU 457 23.043 -3.951 -3.479 87 HD13 LEU 457 HD13 LEU 457 21.834 -3.455 -2.295 88 HD21 LEU 457 HD21 LEU 457 24.484 -1.956 -4.383 89 HD22 LEU 457 HD22 LEU 457 24.274 -0.839 -3.034 90 HD23 LEU 457 HD23 LEU 457 23.667 -0.414 -4.634 91 H ARG 458 HN ARG 458 19.752 -0.698 -4.336 92 HA ARG 458 HA ARG 458 18.324 0.419 -2.907 93 HB2 ARG 458 HB2 ARG 458 17.185 -2.031 -2.983 94 HB3 ARG 458 HB1 ARG 458 17.653 -1.965 -1.284 95 HG2 ARG 458 HG2 ARG 458 15.523 -0.982 -1.259 96 HG3 ARG 458 HG1 ARG 458 16.591 0.419 -1.333 97 HD2 ARG 458 HD2 ARG 458 16.309 -0.100 -3.981 98 HD3 ARG 458 HD1 ARG 458 14.751 -0.669 -3.388 99 HE ARG 458 HE ARG 458 15.685 2.078 -3.442 100 HH11 ARG 458 HH21 ARG 458 13.514 -0.250 -2.086 101 HH12 ARG 458 HH22 ARG 458 12.337 0.924 -1.602 102 HH21 ARG 458 HH11 ARG 458 14.145 3.624 -2.812 103 HH22 ARG 458 HH12 ARG 458 12.694 3.117 -2.013 104 H GLY 459 HN GLY 459 20.538 -1.984 -1.639 105 HA2 GLY 459 HA2 GLY 459 22.249 -1.609 -0.086 106 HA3 GLY 459 HA1 GLY 459 21.513 -0.063 0.322 107 H ALA 460 HN ALA 460 19.184 -2.472 0.245 108 HA ALA 460 HA ALA 460 19.540 -3.242 3.054 109 HB1 ALA 460 HB1 ALA 460 18.083 -1.617 3.662 110 HB2 ALA 460 HB2 ALA 460 16.863 -2.714 3.017 111 HB3 ALA 460 HB3 ALA 460 17.485 -1.402 2.016 112 H ILE 461 HN ILE 461 17.785 -3.592 0.017 113 HA ILE 461 HA ILE 461 16.468 -6.027 0.764 114 HB ILE 461 HB ILE 461 16.853 -4.502 -1.790 115 HG12 ILE 461 HG12 ILE 461 14.434 -4.389 -1.706 116 HG13 ILE 461 HG11 ILE 461 14.380 -5.565 -0.392 117 HG21 ILE 461 HG21 ILE 461 17.091 -6.676 -2.661 118 HG22 ILE 461 HG22 ILE 461 15.356 -6.385 -2.778 119 HG23 ILE 461 HG23 ILE 461 15.996 -7.373 -1.465 120 HD11 ILE 461 HD11 ILE 461 14.174 -3.053 0.223 121 HD12 ILE 461 HD12 ILE 461 15.907 -2.984 -0.095 122 HD13 ILE 461 HD13 ILE 461 15.284 -4.045 1.168 123 H ALA 462 HN ALA 462 19.477 -5.184 -0.852 124 HA ALA 462 HA ALA 462 20.097 -7.813 -1.765 125 HB1 ALA 462 HB1 ALA 462 22.301 -6.934 -2.219 126 HB2 ALA 462 HB2 ALA 462 22.016 -5.554 -1.159 127 HB3 ALA 462 HB3 ALA 462 21.114 -5.709 -2.667 128 H PHE 463 HN PHE 463 20.468 -6.135 1.258 129 HA PHE 463 HA PHE 463 22.314 -8.131 2.324 130 HB2 PHE 463 HB2 PHE 463 22.947 -6.316 3.487 131 HB3 PHE 463 HB1 PHE 463 21.489 -5.432 3.032 132 HD1 PHE 463 HD1 PHE 463 22.903 -7.876 5.442 133 HD2 PHE 463 HD2 PHE 463 19.589 -5.315 4.492 134 HE1 PHE 463 HE1 PHE 463 21.978 -8.228 7.717 135 HE2 PHE 463 HE2 PHE 463 18.664 -5.667 6.765 136 HZ PHE 463 HZ PHE 463 19.860 -7.124 8.377 137 H SER 464 HN SER 464 18.999 -6.975 2.905 138 HA SER 464 HA SER 464 18.337 -8.714 4.996 139 HB2 SER 464 HB2 SER 464 16.788 -7.005 4.634 140 HB3 SER 464 HB1 SER 464 16.737 -7.285 2.896 141 HG SER 464 HG SER 464 15.545 -8.735 4.995 142 H LEU 465 HN LEU 465 18.956 -9.376 1.712 143 HA LEU 465 HA LEU 465 17.360 -11.815 1.635 144 HB2 LEU 465 HB2 LEU 465 18.695 -10.106 -0.297 145 HB3 LEU 465 HB1 LEU 465 19.080 -11.805 -0.563 146 HG LEU 465 HG LEU 465 16.680 -12.362 -0.550 147 HD11 LEU 465 HD11 LEU 465 16.517 -9.674 0.540 148 HD12 LEU 465 HD12 LEU 465 15.295 -10.945 0.527 149 HD13 LEU 465 HD13 LEU 465 15.448 -9.855 -0.851 150 HD21 LEU 465 HD21 LEU 465 17.616 -11.861 -2.713 151 HD22 LEU 465 HD22 LEU 465 17.536 -10.126 -2.409 152 HD23 LEU 465 HD23 LEU 465 16.052 -11.051 -2.633 153 H GLY 466 HN GLY 466 20.814 -10.938 1.441 154 HA2 GLY 466 HA2 GLY 466 21.678 -13.676 1.679 155 HA3 GLY 466 HA1 GLY 466 22.709 -12.249 1.696 156 H TYR 467 HN TYR 467 20.330 -11.646 3.876 157 HA TYR 467 HA TYR 467 22.084 -12.293 6.118 158 HB2 TYR 467 HB2 TYR 467 21.298 -10.166 6.478 159 HB3 TYR 467 HB1 TYR 467 19.762 -10.481 5.668 160 HD1 TYR 467 HD1 TYR 467 21.713 -11.447 8.718 161 HD2 TYR 467 HD2 TYR 467 17.838 -10.902 6.945 162 HE1 TYR 467 HE1 TYR 467 20.647 -11.885 10.914 163 HE2 TYR 467 HE2 TYR 467 16.773 -11.341 9.140 164 HH TYR 467 HH TYR 467 17.950 -12.835 11.487 165 H LEU 468 HN LEU 468 18.868 -13.089 4.891 166 HA LEU 468 HA LEU 468 18.004 -14.608 7.117 167 HB2 LEU 468 HB2 LEU 468 17.213 -14.870 4.206 168 HB3 LEU 468 HB1 LEU 468 16.324 -15.525 5.582 169 HG LEU 468 HG LEU 468 16.977 -12.606 5.590 170 HD11 LEU 468 HD11 LEU 468 14.850 -13.927 3.892 171 HD12 LEU 468 HD12 LEU 468 16.129 -12.838 3.355 172 HD13 LEU 468 HD13 LEU 468 14.806 -12.222 4.347 173 HD21 LEU 468 HD21 LEU 468 15.180 -12.483 7.050 174 HD22 LEU 468 HD22 LEU 468 15.720 -14.131 7.367 175 HD23 LEU 468 HD23 LEU 468 14.345 -13.841 6.300 176 H LEU 469 HN LEU 469 18.660 -16.013 3.921 177 HA LEU 469 HA LEU 469 19.070 -18.612 4.700 178 HB2 LEU 469 HB2 LEU 469 20.408 -18.886 2.645 179 HB3 LEU 469 HB1 LEU 469 18.961 -17.921 2.350 180 HG LEU 469 HG LEU 469 20.817 -16.014 3.096 181 HD11 LEU 469 HD11 LEU 469 22.192 -17.973 1.237 182 HD12 LEU 469 HD12 LEU 469 22.567 -17.827 2.954 183 HD13 LEU 469 HD13 LEU 469 22.852 -16.466 1.868 184 HD21 LEU 469 HD21 LEU 469 19.304 -15.668 1.278 185 HD22 LEU 469 HD22 LEU 469 19.937 -17.056 0.393 186 HD23 LEU 469 HD23 LEU 469 20.917 -15.600 0.568 187 H ASP 470 HN ASP 470 21.046 -15.920 5.394 188 HA ASP 470 HA ASP 470 23.503 -17.408 5.763 189 HB2 ASP 470 HB2 ASP 470 23.976 -15.205 5.237 190 HB3 ASP 470 HB1 ASP 470 22.624 -14.579 6.178 191 H LYS 471 HN LYS 471 20.903 -16.126 7.783 192 HA LYS 471 HA LYS 471 22.160 -17.338 10.159 193 HB2 LYS 471 HB2 LYS 471 19.897 -15.341 9.912 194 HB3 LYS 471 HB1 LYS 471 20.513 -15.987 11.436 195 HG2 LYS 471 HG2 LYS 471 22.753 -15.080 9.928 196 HG3 LYS 471 HG1 LYS 471 21.540 -13.802 9.891 197 HD2 LYS 471 HD2 LYS 471 21.358 -13.866 12.335 198 HD3 LYS 471 HD1 LYS 471 22.520 -15.192 12.402 199 HE2 LYS 471 HE2 LYS 471 23.319 -12.683 10.979 200 HE3 LYS 471 HE1 LYS 471 23.307 -12.676 12.743 201 HZ1 LYS 471 HZ1 LYS 471 25.283 -13.669 11.114 202 HZ2 LYS 471 HZ2 LYS 471 24.501 -15.048 11.726 203 HZ3 LYS 471 HZ3 LYS 471 25.145 -13.891 12.790 204 H LYS 472 HN LYS 472 18.937 -17.005 8.656 205 HA LYS 472 HA LYS 472 17.449 -18.747 10.117 206 HB2 LYS 472 HB2 LYS 472 17.202 -17.548 7.611 207 HB3 LYS 472 HB1 LYS 472 17.030 -19.275 7.290 208 HG2 LYS 472 HG2 LYS 472 15.476 -17.694 9.361 209 HG3 LYS 472 HG1 LYS 472 14.843 -18.283 7.823 210 HD2 LYS 472 HD2 LYS 472 15.914 -20.573 8.898 211 HD3 LYS 472 HD1 LYS 472 15.322 -19.744 10.338 212 HE2 LYS 472 HE2 LYS 472 13.140 -19.380 9.030 213 HE3 LYS 472 HE1 LYS 472 13.757 -20.577 7.892 214 HZ1 LYS 472 HZ1 LYS 472 14.174 -21.718 10.321 215 HZ2 LYS 472 HZ2 LYS 472 12.890 -22.074 9.267 216 HZ3 LYS 472 HZ3 LYS 472 12.677 -20.946 10.520 217 HN1 NH2 473 H1 NH2 473 19.114 -19.927 7.133 218 HN2 NH2 473 H2 NH2 473 19.403 -21.483 7.747 Start of MODEL 36 1 H1 ACE 446 HA2 ACE 446 19.400 0.880 -21.757 2 H2 ACE 446 HA3 ACE 446 20.253 1.504 -20.345 3 H3 ACE 446 HA1 ACE 446 19.393 2.611 -21.415 4 H LYS 447 HN LYS 447 18.800 -0.282 -19.408 5 HA LYS 447 HA LYS 447 16.536 1.014 -18.142 6 HB2 LYS 447 HB2 LYS 447 15.795 -0.148 -20.379 7 HB3 LYS 447 HB1 LYS 447 15.957 -1.627 -19.437 8 HG2 LYS 447 HG2 LYS 447 13.691 -0.967 -19.148 9 HG3 LYS 447 HG1 LYS 447 14.504 -0.492 -17.660 10 HD2 LYS 447 HD2 LYS 447 14.759 1.691 -19.477 11 HD3 LYS 447 HD1 LYS 447 13.077 1.166 -19.519 12 HE2 LYS 447 HE2 LYS 447 12.932 1.321 -17.084 13 HE3 LYS 447 HE1 LYS 447 14.639 1.754 -16.988 14 HZ1 LYS 447 HZ1 LYS 447 13.523 3.776 -16.914 15 HZ2 LYS 447 HZ2 LYS 447 12.398 3.324 -18.103 16 HZ3 LYS 447 HZ3 LYS 447 14.007 3.657 -18.535 17 H ASP 448 HN ASP 448 17.565 -2.360 -18.670 18 HA ASP 448 HA ASP 448 17.200 -3.106 -15.957 19 HB2 ASP 448 HB2 ASP 448 18.662 -5.098 -16.680 20 HB3 ASP 448 HB1 ASP 448 17.129 -4.868 -17.519 21 H GLN 449 HN GLN 449 19.893 -1.761 -17.733 22 HA GLN 449 HA GLN 449 21.947 -2.405 -15.881 23 HB2 GLN 449 HB2 GLN 449 21.761 -0.099 -17.834 24 HB3 GLN 449 HB1 GLN 449 23.231 -0.638 -17.021 25 HG2 GLN 449 HG2 GLN 449 22.133 -2.960 -18.154 26 HG3 GLN 449 HG1 GLN 449 21.954 -1.718 -19.392 27 HE21 GLN 449 HE21 GLN 449 24.454 -2.936 -17.086 28 HE22 GLN 449 HE22 GLN 449 25.753 -2.698 -18.152 29 H PHE 450 HN PHE 450 19.372 -0.155 -15.793 30 HA PHE 450 HA PHE 450 20.680 1.583 -13.840 31 HB2 PHE 450 HB2 PHE 450 17.957 1.638 -15.151 32 HB3 PHE 450 HB1 PHE 450 18.451 2.776 -13.896 33 HD1 PHE 450 HD2 PHE 450 20.673 4.065 -14.281 34 HD2 PHE 450 HD1 PHE 450 18.508 2.052 -17.397 35 HE1 PHE 450 HE2 PHE 450 21.849 5.434 -15.983 36 HE2 PHE 450 HE1 PHE 450 19.682 3.421 -19.098 37 HZ PHE 450 HZ PHE 450 21.353 5.112 -18.391 38 H ILE 451 HN ILE 451 17.834 -0.552 -14.032 39 HA ILE 451 HA ILE 451 16.964 -0.334 -11.398 40 HB ILE 451 HB ILE 451 16.877 -2.685 -13.297 41 HG12 ILE 451 HG12 ILE 451 14.484 -1.120 -12.472 42 HG13 ILE 451 HG11 ILE 451 15.635 -0.298 -13.525 43 HG21 ILE 451 HG21 ILE 451 14.829 -3.115 -11.591 44 HG22 ILE 451 HG22 ILE 451 15.978 -2.366 -10.481 45 HG23 ILE 451 HG23 ILE 451 16.425 -3.827 -11.360 46 HD11 ILE 451 HD11 ILE 451 13.717 -1.720 -14.603 47 HD12 ILE 451 HD12 ILE 451 14.739 -3.093 -14.179 48 HD13 ILE 451 HD13 ILE 451 15.348 -1.840 -15.262 49 H ILE 452 HN ILE 452 18.976 -2.984 -12.709 50 HA ILE 452 HA ILE 452 19.632 -4.220 -10.329 51 HB ILE 452 HB ILE 452 21.653 -5.044 -11.481 52 HG12 ILE 452 HG12 ILE 452 21.479 -4.008 -14.042 53 HG13 ILE 452 HG11 ILE 452 21.190 -2.593 -13.031 54 HG21 ILE 452 HG21 ILE 452 20.230 -5.505 -13.772 55 HG22 ILE 452 HG22 ILE 452 18.945 -5.029 -12.662 56 HG23 ILE 452 HG23 ILE 452 19.993 -6.391 -12.265 57 HD11 ILE 452 HD11 ILE 452 23.242 -3.164 -11.722 58 HD12 ILE 452 HD12 ILE 452 23.586 -2.814 -13.416 59 HD13 ILE 452 HD13 ILE 452 23.554 -4.483 -12.850 60 H ALA 453 HN ALA 453 20.682 -1.160 -11.533 61 HA ALA 453 HA ALA 453 23.090 -0.903 -10.042 62 HB1 ALA 453 HB1 ALA 453 23.201 1.187 -10.939 63 HB2 ALA 453 HB2 ALA 453 21.507 1.539 -10.588 64 HB3 ALA 453 HB3 ALA 453 21.932 0.565 -11.996 65 H TYR 454 HN TYR 454 19.711 -0.072 -9.381 66 HA TYR 454 HA TYR 454 20.430 0.887 -6.706 67 HB2 TYR 454 HB2 TYR 454 17.862 0.918 -8.295 68 HB3 TYR 454 HB1 TYR 454 17.942 1.399 -6.601 69 HD1 TYR 454 HD1 TYR 454 19.054 2.208 -10.031 70 HD2 TYR 454 HD2 TYR 454 19.043 3.447 -5.918 71 HE1 TYR 454 HE1 TYR 454 19.869 4.451 -10.705 72 HE2 TYR 454 HE2 TYR 454 19.858 5.691 -6.591 73 HH TYR 454 HH TYR 454 20.476 6.992 -8.271 74 H GLY 455 HN GLY 455 19.533 -1.974 -8.238 75 HA2 GLY 455 HA2 GLY 455 19.150 -4.079 -7.361 76 HA3 GLY 455 HA1 GLY 455 19.290 -3.383 -5.749 77 H GLY 456 HN GLY 456 17.056 -2.934 -8.503 78 HA2 GLY 456 HA2 GLY 456 14.762 -3.165 -8.637 79 HA3 GLY 456 HA1 GLY 456 14.814 -4.037 -7.108 80 H LEU 457 HN LEU 457 16.083 -1.980 -5.581 81 HA LEU 457 HA LEU 457 14.031 -0.635 -4.426 82 HB2 LEU 457 HB2 LEU 457 16.206 -0.538 -3.431 83 HB3 LEU 457 HB1 LEU 457 16.885 0.272 -4.839 84 HG LEU 457 HG LEU 457 15.644 2.289 -4.376 85 HD11 LEU 457 HD11 LEU 457 14.205 2.281 -2.216 86 HD12 LEU 457 HD12 LEU 457 14.200 0.527 -2.396 87 HD13 LEU 457 HD13 LEU 457 13.515 1.545 -3.664 88 HD21 LEU 457 HD21 LEU 457 17.709 1.731 -2.986 89 HD22 LEU 457 HD22 LEU 457 16.602 1.278 -1.690 90 HD23 LEU 457 HD23 LEU 457 16.623 2.935 -2.291 91 H ARG 458 HN ARG 458 16.173 0.940 -6.817 92 HA ARG 458 HA ARG 458 15.703 2.461 -8.484 93 HB2 ARG 458 HB2 ARG 458 13.556 0.911 -8.625 94 HB3 ARG 458 HB1 ARG 458 12.765 2.341 -7.960 95 HG2 ARG 458 HG2 ARG 458 12.615 2.806 -10.227 96 HG3 ARG 458 HG1 ARG 458 14.152 3.583 -9.845 97 HD2 ARG 458 HD2 ARG 458 14.809 2.319 -11.661 98 HD3 ARG 458 HD1 ARG 458 15.105 1.156 -10.373 99 HE ARG 458 HE ARG 458 13.291 -0.100 -11.146 100 HH11 ARG 458 HH21 ARG 458 13.432 3.021 -12.634 101 HH12 ARG 458 HH22 ARG 458 12.232 2.657 -13.830 102 HH21 ARG 458 HH11 ARG 458 11.717 -0.585 -12.711 103 HH22 ARG 458 HH12 ARG 458 11.261 0.616 -13.873 104 H GLY 459 HN GLY 459 16.422 3.387 -6.024 105 HA2 GLY 459 HA2 GLY 459 14.907 5.084 -4.552 106 HA3 GLY 459 HA1 GLY 459 16.565 5.466 -5.002 107 H ALA 460 HN ALA 460 15.789 5.486 -7.897 108 HA ALA 460 HA ALA 460 15.528 8.177 -8.355 109 HB1 ALA 460 HB1 ALA 460 16.038 6.556 -10.126 110 HB2 ALA 460 HB2 ALA 460 14.691 7.593 -10.597 111 HB3 ALA 460 HB3 ALA 460 14.384 5.945 -10.050 112 H ILE 461 HN ILE 461 13.057 5.915 -7.436 113 HA ILE 461 HA ILE 461 10.907 7.807 -8.011 114 HB ILE 461 HB ILE 461 10.990 4.974 -6.992 115 HG12 ILE 461 HG12 ILE 461 9.669 4.564 -9.019 116 HG13 ILE 461 HG11 ILE 461 9.635 6.294 -9.367 117 HG21 ILE 461 HG21 ILE 461 8.378 5.341 -7.187 118 HG22 ILE 461 HG22 ILE 461 8.804 7.016 -6.835 119 HG23 ILE 461 HG23 ILE 461 9.225 5.740 -5.693 120 HD11 ILE 461 HD11 ILE 461 11.924 6.364 -9.887 121 HD12 ILE 461 HD12 ILE 461 11.419 4.818 -10.569 122 HD13 ILE 461 HD13 ILE 461 12.263 4.865 -9.022 123 H ALA 462 HN ALA 462 12.259 6.106 -5.187 124 HA ALA 462 HA ALA 462 10.733 7.185 -3.169 125 HB1 ALA 462 HB1 ALA 462 13.693 6.567 -3.194 126 HB2 ALA 462 HB2 ALA 462 12.384 5.505 -2.672 127 HB3 ALA 462 HB3 ALA 462 12.783 6.943 -1.730 128 H PHE 463 HN PHE 463 13.226 8.725 -5.066 129 HA PHE 463 HA PHE 463 13.276 11.083 -3.342 130 HB2 PHE 463 HB2 PHE 463 15.389 11.037 -4.123 131 HB3 PHE 463 HB1 PHE 463 14.962 9.963 -5.455 132 HD1 PHE 463 HD2 PHE 463 14.159 10.859 -7.598 133 HD2 PHE 463 HD1 PHE 463 15.313 13.458 -4.377 134 HE1 PHE 463 HE2 PHE 463 14.226 12.778 -9.168 135 HE2 PHE 463 HE1 PHE 463 15.382 15.375 -5.947 136 HZ PHE 463 HZ PHE 463 14.837 15.036 -8.343 137 H SER 464 HN SER 464 11.990 10.024 -6.430 138 HA SER 464 HA SER 464 11.284 12.546 -7.478 139 HB2 SER 464 HB2 SER 464 11.312 10.417 -8.778 140 HB3 SER 464 HB1 SER 464 9.865 9.909 -7.912 141 HG SER 464 HG SER 464 8.707 11.331 -8.994 142 H LEU 465 HN LEU 465 9.592 10.315 -5.317 143 HA LEU 465 HA LEU 465 7.246 12.039 -5.219 144 HB2 LEU 465 HB2 LEU 465 6.255 10.332 -3.849 145 HB3 LEU 465 HB1 LEU 465 7.092 9.527 -5.176 146 HG LEU 465 HG LEU 465 9.079 9.707 -3.280 147 HD11 LEU 465 HD11 LEU 465 7.186 10.509 -1.708 148 HD12 LEU 465 HD12 LEU 465 8.208 9.191 -1.136 149 HD13 LEU 465 HD13 LEU 465 6.603 8.847 -1.779 150 HD21 LEU 465 HD21 LEU 465 8.416 7.260 -2.828 151 HD22 LEU 465 HD22 LEU 465 8.725 7.701 -4.508 152 HD23 LEU 465 HD23 LEU 465 7.067 7.545 -3.927 153 H GLY 466 HN GLY 466 10.163 11.486 -3.447 154 HA2 GLY 466 HA2 GLY 466 9.182 12.832 -1.046 155 HA3 GLY 466 HA1 GLY 466 10.781 12.128 -1.270 156 H TYR 467 HN TYR 467 10.118 13.861 -3.995 157 HA TYR 467 HA TYR 467 11.812 16.075 -3.111 158 HB2 TYR 467 HB2 TYR 467 12.607 15.289 -5.144 159 HB3 TYR 467 HB1 TYR 467 10.991 14.949 -5.762 160 HD1 TYR 467 HD2 TYR 467 13.369 17.681 -4.917 161 HD2 TYR 467 HD1 TYR 467 9.738 16.600 -6.942 162 HE1 TYR 467 HE2 TYR 467 13.318 19.906 -6.013 163 HE2 TYR 467 HE1 TYR 467 9.684 18.825 -8.036 164 HH TYR 467 HH TYR 467 12.328 21.158 -7.581 165 H LEU 468 HN LEU 468 8.597 15.483 -4.474 166 HA LEU 468 HA LEU 468 7.819 18.150 -4.870 167 HB2 LEU 468 HB2 LEU 468 6.085 15.795 -4.084 168 HB3 LEU 468 HB1 LEU 468 5.519 17.304 -4.799 169 HG LEU 468 HG LEU 468 7.667 15.791 -6.230 170 HD11 LEU 468 HD11 LEU 468 6.092 14.021 -5.718 171 HD12 LEU 468 HD12 LEU 468 5.879 14.484 -7.406 172 HD13 LEU 468 HD13 LEU 468 4.732 15.041 -6.188 173 HD21 LEU 468 HD21 LEU 468 6.474 18.096 -6.792 174 HD22 LEU 468 HD22 LEU 468 5.234 17.033 -7.456 175 HD23 LEU 468 HD23 LEU 468 6.883 16.961 -8.076 176 H LEU 469 HN LEU 469 6.396 16.164 -2.292 177 HA LEU 469 HA LEU 469 5.477 18.162 -0.675 178 HB2 LEU 469 HB2 LEU 469 5.681 16.590 1.217 179 HB3 LEU 469 HB1 LEU 469 5.046 15.795 -0.223 180 HG LEU 469 HG LEU 469 7.768 15.490 -0.541 181 HD11 LEU 469 HD11 LEU 469 8.738 14.859 1.539 182 HD12 LEU 469 HD12 LEU 469 7.178 14.881 2.360 183 HD13 LEU 469 HD13 LEU 469 7.932 16.395 1.861 184 HD21 LEU 469 HD21 LEU 469 7.286 13.128 0.304 185 HD22 LEU 469 HD22 LEU 469 6.209 13.717 -0.963 186 HD23 LEU 469 HD23 LEU 469 5.671 13.703 0.717 187 H ASP 470 HN ASP 470 8.749 17.377 -1.311 188 HA ASP 470 HA ASP 470 9.881 18.514 1.072 189 HB2 ASP 470 HB2 ASP 470 10.831 17.153 -1.273 190 HB3 ASP 470 HB1 ASP 470 11.771 18.623 -1.026 191 H LYS 471 HN LYS 471 9.473 19.628 -2.285 192 HA LYS 471 HA LYS 471 10.375 22.307 -1.549 193 HB2 LYS 471 HB2 LYS 471 9.647 20.969 -4.145 194 HB3 LYS 471 HB1 LYS 471 9.837 22.720 -4.039 195 HG2 LYS 471 HG2 LYS 471 11.980 20.994 -2.864 196 HG3 LYS 471 HG1 LYS 471 11.908 21.156 -4.619 197 HD2 LYS 471 HD2 LYS 471 11.707 23.635 -2.953 198 HD3 LYS 471 HD1 LYS 471 13.290 22.888 -3.161 199 HE2 LYS 471 HE2 LYS 471 11.522 23.373 -5.548 200 HE3 LYS 471 HE1 LYS 471 12.514 24.677 -4.898 201 HZ1 LYS 471 HZ1 LYS 471 14.348 23.770 -5.729 202 HZ2 LYS 471 HZ2 LYS 471 13.338 22.755 -6.640 203 HZ3 LYS 471 HZ3 LYS 471 13.961 22.224 -5.151 204 H LYS 472 HN LYS 472 7.442 20.677 -2.700 205 HA LYS 472 HA LYS 472 5.900 23.144 -2.367 206 HB2 LYS 472 HB2 LYS 472 5.102 20.416 -3.411 207 HB3 LYS 472 HB1 LYS 472 4.049 21.832 -3.363 208 HG2 LYS 472 HG2 LYS 472 6.720 22.124 -4.672 209 HG3 LYS 472 HG1 LYS 472 5.467 21.236 -5.543 210 HD2 LYS 472 HD2 LYS 472 4.763 23.868 -4.291 211 HD3 LYS 472 HD1 LYS 472 5.667 23.862 -5.806 212 HE2 LYS 472 HE2 LYS 472 3.230 22.128 -5.543 213 HE3 LYS 472 HE1 LYS 472 3.034 23.853 -5.858 214 HZ1 LYS 472 HZ1 LYS 472 4.686 21.986 -7.474 215 HZ2 LYS 472 HZ2 LYS 472 4.459 23.641 -7.784 216 HZ3 LYS 472 HZ3 LYS 472 3.152 22.562 -7.907 217 HN1 NH2 473 H1 NH2 473 7.005 21.422 -0.043 218 HN2 NH2 473 H2 NH2 473 5.632 21.118 0.908 Start of MODEL 37 1 H1 ACE 446 HA2 ACE 446 21.159 1.340 -18.919 2 H2 ACE 446 HA3 ACE 446 20.765 3.016 -19.300 3 H3 ACE 446 HA1 ACE 446 20.369 1.736 -20.445 4 H LYS 447 HN LYS 447 18.683 0.228 -19.883 5 HA LYS 447 HA LYS 447 16.662 1.440 -18.123 6 HB2 LYS 447 HB2 LYS 447 16.430 0.540 -20.681 7 HB3 LYS 447 HB1 LYS 447 15.936 -0.894 -19.789 8 HG2 LYS 447 HG2 LYS 447 14.774 1.884 -19.392 9 HG3 LYS 447 HG1 LYS 447 14.012 0.597 -20.320 10 HD2 LYS 447 HD2 LYS 447 14.704 0.441 -17.366 11 HD3 LYS 447 HD1 LYS 447 13.095 0.734 -18.020 12 HE2 LYS 447 HE2 LYS 447 13.632 -1.502 -19.375 13 HE3 LYS 447 HE1 LYS 447 14.701 -1.785 -18.003 14 HZ1 LYS 447 HZ1 LYS 447 11.785 -1.611 -18.085 15 HZ2 LYS 447 HZ2 LYS 447 12.568 -1.029 -16.694 16 HZ3 LYS 447 HZ3 LYS 447 12.784 -2.642 -17.182 17 H ASP 448 HN ASP 448 17.854 -1.819 -18.980 18 HA ASP 448 HA ASP 448 16.841 -2.909 -16.487 19 HB2 ASP 448 HB2 ASP 448 17.624 -3.940 -19.046 20 HB3 ASP 448 HB1 ASP 448 18.536 -4.771 -17.786 21 H GLN 449 HN GLN 449 19.690 -1.409 -17.559 22 HA GLN 449 HA GLN 449 21.425 -2.763 -15.639 23 HB2 GLN 449 HB2 GLN 449 21.942 -0.510 -17.593 24 HB3 GLN 449 HB1 GLN 449 23.167 -1.229 -16.546 25 HG2 GLN 449 HG2 GLN 449 21.560 -3.135 -18.153 26 HG3 GLN 449 HG1 GLN 449 22.667 -2.107 -19.061 27 HE21 GLN 449 HE21 GLN 449 24.299 -3.676 -19.512 28 HE22 GLN 449 HE22 GLN 449 25.196 -4.450 -18.297 29 H PHE 450 HN PHE 450 19.323 -0.095 -15.744 30 HA PHE 450 HA PHE 450 20.729 1.473 -13.742 31 HB2 PHE 450 HB2 PHE 450 19.513 3.079 -14.726 32 HB3 PHE 450 HB1 PHE 450 18.538 1.886 -15.584 33 HD1 PHE 450 HD2 PHE 450 18.891 3.758 -12.395 34 HD2 PHE 450 HD1 PHE 450 16.370 1.241 -14.794 35 HE1 PHE 450 HE2 PHE 450 16.985 4.222 -10.879 36 HE2 PHE 450 HE1 PHE 450 14.462 1.704 -13.277 37 HZ PHE 450 HZ PHE 450 14.771 3.195 -11.318 38 H ILE 451 HN ILE 451 18.547 -1.145 -13.808 39 HA ILE 451 HA ILE 451 17.325 -0.590 -11.236 40 HB ILE 451 HB ILE 451 17.204 -2.891 -13.177 41 HG12 ILE 451 HG12 ILE 451 15.002 -1.185 -11.990 42 HG13 ILE 451 HG11 ILE 451 15.869 -0.725 -13.455 43 HG21 ILE 451 HG21 ILE 451 15.392 -3.691 -11.452 44 HG22 ILE 451 HG22 ILE 451 16.346 -2.758 -10.300 45 HG23 ILE 451 HG23 ILE 451 17.086 -4.096 -11.178 46 HD11 ILE 451 HD11 ILE 451 14.960 -3.509 -13.504 47 HD12 ILE 451 HD12 ILE 451 14.754 -2.241 -14.712 48 HD13 ILE 451 HD13 ILE 451 13.630 -2.359 -13.358 49 H ILE 452 HN ILE 452 19.473 -3.150 -12.504 50 HA ILE 452 HA ILE 452 20.060 -4.369 -10.061 51 HB ILE 452 HB ILE 452 22.079 -5.238 -11.191 52 HG12 ILE 452 HG12 ILE 452 21.814 -4.277 -13.800 53 HG13 ILE 452 HG11 ILE 452 21.640 -2.838 -12.796 54 HG21 ILE 452 HG21 ILE 452 20.690 -6.679 -12.219 55 HG22 ILE 452 HG22 ILE 452 20.332 -5.488 -13.469 56 HG23 ILE 452 HG23 ILE 452 19.374 -5.528 -11.988 57 HD11 ILE 452 HD11 ILE 452 23.993 -3.116 -13.247 58 HD12 ILE 452 HD12 ILE 452 23.935 -4.815 -12.778 59 HD13 ILE 452 HD13 ILE 452 23.725 -3.557 -11.561 60 H ALA 453 HN ALA 453 20.900 -1.276 -11.161 61 HA ALA 453 HA ALA 453 23.333 -1.072 -9.565 62 HB1 ALA 453 HB1 ALA 453 23.525 1.154 -10.465 63 HB2 ALA 453 HB2 ALA 453 21.862 1.115 -11.051 64 HB3 ALA 453 HB3 ALA 453 23.083 0.076 -11.788 65 H TYR 454 HN TYR 454 19.946 -0.228 -9.398 66 HA TYR 454 HA TYR 454 20.354 0.672 -6.627 67 HB2 TYR 454 HB2 TYR 454 18.688 2.139 -8.686 68 HB3 TYR 454 HB1 TYR 454 18.775 2.534 -6.970 69 HD1 TYR 454 HD2 TYR 454 21.135 2.998 -5.984 70 HD2 TYR 454 HD1 TYR 454 20.243 3.063 -10.185 71 HE1 TYR 454 HE2 TYR 454 23.173 4.349 -6.395 72 HE2 TYR 454 HE1 TYR 454 22.281 4.414 -10.595 73 HH TYR 454 HH TYR 454 24.240 5.645 -7.925 74 H GLY 455 HN GLY 455 17.614 0.462 -8.903 75 HA2 GLY 455 HA2 GLY 455 15.617 -0.299 -7.229 76 HA3 GLY 455 HA1 GLY 455 15.748 -0.914 -8.873 77 H GLY 456 HN GLY 456 18.404 -2.164 -8.073 78 HA2 GLY 456 HA2 GLY 456 17.236 -4.627 -6.967 79 HA3 GLY 456 HA1 GLY 456 18.747 -4.515 -7.865 80 H LEU 457 HN LEU 457 20.088 -2.524 -6.571 81 HA LEU 457 HA LEU 457 21.175 -3.836 -4.335 82 HB2 LEU 457 HB2 LEU 457 22.534 -2.262 -5.523 83 HB3 LEU 457 HB1 LEU 457 21.363 -0.970 -5.277 84 HG LEU 457 HG LEU 457 21.824 -0.894 -2.910 85 HD11 LEU 457 HD11 LEU 457 23.326 -3.449 -3.479 86 HD12 LEU 457 HD12 LEU 457 22.080 -3.154 -2.267 87 HD13 LEU 457 HD13 LEU 457 23.695 -2.478 -2.055 88 HD21 LEU 457 HD21 LEU 457 24.090 -0.148 -2.937 89 HD22 LEU 457 HD22 LEU 457 23.484 0.132 -4.569 90 HD23 LEU 457 HD23 LEU 457 24.516 -1.258 -4.240 91 H ARG 458 HN ARG 458 19.387 -0.742 -4.346 92 HA ARG 458 HA ARG 458 19.015 -0.403 -1.656 93 HB2 ARG 458 HB2 ARG 458 17.406 0.328 -4.058 94 HB3 ARG 458 HB1 ARG 458 16.652 0.522 -2.476 95 HG2 ARG 458 HG2 ARG 458 17.801 2.592 -3.140 96 HG3 ARG 458 HG1 ARG 458 18.582 1.881 -1.729 97 HD2 ARG 458 HD2 ARG 458 20.308 0.884 -3.157 98 HD3 ARG 458 HD1 ARG 458 19.504 1.507 -4.593 99 HE ARG 458 HE ARG 458 20.345 3.633 -4.096 100 HH11 ARG 458 HH21 ARG 458 20.844 1.396 -1.503 101 HH12 ARG 458 HH22 ARG 458 21.922 2.434 -0.632 102 HH21 ARG 458 HH11 ARG 458 21.759 5.000 -2.957 103 HH22 ARG 458 HH12 ARG 458 22.440 4.474 -1.455 104 H GLY 459 HN GLY 459 17.824 -2.959 -3.552 105 HA2 GLY 459 HA2 GLY 459 15.480 -3.577 -2.016 106 HA3 GLY 459 HA1 GLY 459 16.277 -4.633 -3.177 107 H ALA 460 HN ALA 460 17.957 -3.159 -0.483 108 HA ALA 460 HA ALA 460 17.966 -5.730 0.958 109 HB1 ALA 460 HB1 ALA 460 20.422 -5.376 1.383 110 HB2 ALA 460 HB2 ALA 460 20.383 -4.093 0.174 111 HB3 ALA 460 HB3 ALA 460 20.022 -5.755 -0.292 112 H ILE 461 HN ILE 461 19.329 -2.439 1.193 113 HA ILE 461 HA ILE 461 19.392 -2.238 3.956 114 HB ILE 461 HB ILE 461 19.080 -0.219 1.758 115 HG12 ILE 461 HG12 ILE 461 21.299 0.467 2.590 116 HG13 ILE 461 HG11 ILE 461 21.186 -0.725 3.886 117 HG21 ILE 461 HG21 ILE 461 18.794 0.209 4.728 118 HG22 ILE 461 HG22 ILE 461 17.828 0.887 3.416 119 HG23 ILE 461 HG23 ILE 461 19.467 1.473 3.699 120 HD11 ILE 461 HD11 ILE 461 22.510 -1.439 1.814 121 HD12 ILE 461 HD12 ILE 461 20.962 -1.491 0.971 122 HD13 ILE 461 HD13 ILE 461 21.250 -2.549 2.352 123 H ALA 462 HN ALA 462 16.697 -1.766 1.740 124 HA ALA 462 HA ALA 462 14.881 -0.627 3.591 125 HB1 ALA 462 HB1 ALA 462 14.455 -0.505 1.208 126 HB2 ALA 462 HB2 ALA 462 13.139 -1.389 1.978 127 HB3 ALA 462 HB3 ALA 462 14.390 -2.263 1.093 128 H PHE 463 HN PHE 463 15.923 -3.894 2.991 129 HA PHE 463 HA PHE 463 13.752 -5.047 4.564 130 HB2 PHE 463 HB2 PHE 463 14.189 -6.722 3.126 131 HB3 PHE 463 HB1 PHE 463 15.744 -6.024 2.671 132 HD1 PHE 463 HD2 PHE 463 14.006 -8.246 5.055 133 HD2 PHE 463 HD1 PHE 463 17.795 -6.654 3.804 134 HE1 PHE 463 HE2 PHE 463 15.175 -9.943 6.435 135 HE2 PHE 463 HE1 PHE 463 18.963 -8.351 5.184 136 HZ PHE 463 HZ PHE 463 17.654 -9.997 6.498 137 H SER 464 HN SER 464 17.308 -4.833 4.732 138 HA SER 464 HA SER 464 17.723 -6.082 7.167 139 HB2 SER 464 HB2 SER 464 19.171 -3.676 6.038 140 HB3 SER 464 HB1 SER 464 19.763 -4.691 7.352 141 HG SER 464 HG SER 464 20.002 -6.357 5.968 142 H LEU 465 HN LEU 465 16.052 -3.178 6.539 143 HA LEU 465 HA LEU 465 16.443 -2.070 9.207 144 HB2 LEU 465 HB2 LEU 465 15.375 -1.137 6.650 145 HB3 LEU 465 HB1 LEU 465 14.383 -0.655 8.026 146 HG LEU 465 HG LEU 465 16.336 0.303 9.144 147 HD11 LEU 465 HD11 LEU 465 18.330 0.398 7.217 148 HD12 LEU 465 HD12 LEU 465 17.723 -1.252 7.082 149 HD13 LEU 465 HD13 LEU 465 18.322 -0.657 8.630 150 HD21 LEU 465 HD21 LEU 465 16.850 2.113 7.495 151 HD22 LEU 465 HD22 LEU 465 15.124 1.769 7.611 152 HD23 LEU 465 HD23 LEU 465 16.055 1.157 6.243 153 H GLY 466 HN GLY 466 13.528 -2.868 7.304 154 HA2 GLY 466 HA2 GLY 466 11.827 -3.044 9.564 155 HA3 GLY 466 HA1 GLY 466 11.462 -3.651 7.952 156 H TYR 467 HN TYR 467 14.344 -4.992 8.817 157 HA TYR 467 HA TYR 467 13.062 -7.533 9.481 158 HB2 TYR 467 HB2 TYR 467 14.665 -7.907 7.846 159 HB3 TYR 467 HB1 TYR 467 15.775 -6.709 8.512 160 HD1 TYR 467 HD1 TYR 467 14.289 -10.074 9.112 161 HD2 TYR 467 HD2 TYR 467 17.421 -7.312 10.115 162 HE1 TYR 467 HE1 TYR 467 15.450 -11.854 10.390 163 HE2 TYR 467 HE2 TYR 467 18.581 -9.089 11.394 164 HH TYR 467 HH TYR 467 18.661 -11.328 11.769 165 H LEU 468 HN LEU 468 15.368 -5.221 10.851 166 HA LEU 468 HA LEU 468 16.097 -6.731 13.120 167 HB2 LEU 468 HB2 LEU 468 15.944 -3.720 12.840 168 HB3 LEU 468 HB1 LEU 468 16.851 -4.605 14.065 169 HG LEU 468 HG LEU 468 17.368 -5.243 11.186 170 HD11 LEU 468 HD11 LEU 468 19.059 -3.422 11.116 171 HD12 LEU 468 HD12 LEU 468 18.437 -2.815 12.650 172 HD13 LEU 468 HD13 LEU 468 17.411 -2.802 11.215 173 HD21 LEU 468 HD21 LEU 468 19.629 -5.637 12.077 174 HD22 LEU 468 HD22 LEU 468 18.434 -6.518 13.028 175 HD23 LEU 468 HD23 LEU 468 19.126 -5.020 13.651 176 H LEU 469 HN LEU 469 14.170 -3.759 13.335 177 HA LEU 469 HA LEU 469 13.012 -4.177 15.774 178 HB2 LEU 469 HB2 LEU 469 11.037 -2.836 14.843 179 HB3 LEU 469 HB1 LEU 469 12.628 -2.084 14.740 180 HG LEU 469 HG LEU 469 12.036 -3.766 12.420 181 HD11 LEU 469 HD11 LEU 469 9.746 -3.091 12.746 182 HD12 LEU 469 HD12 LEU 469 10.409 -2.078 11.463 183 HD13 LEU 469 HD13 LEU 469 10.228 -1.430 13.093 184 HD21 LEU 469 HD21 LEU 469 12.801 -1.733 11.249 185 HD22 LEU 469 HD22 LEU 469 13.890 -2.132 12.576 186 HD23 LEU 469 HD23 LEU 469 12.719 -0.826 12.759 187 H ASP 470 HN ASP 470 12.410 -5.916 12.881 188 HA ASP 470 HA ASP 470 9.797 -6.894 13.601 189 HB2 ASP 470 HB2 ASP 470 11.727 -7.305 11.402 190 HB3 ASP 470 HB1 ASP 470 10.703 -8.690 11.779 191 H LYS 471 HN LYS 471 13.125 -8.044 13.863 192 HA LYS 471 HA LYS 471 12.182 -10.448 15.285 193 HB2 LYS 471 HB2 LYS 471 14.957 -9.792 14.265 194 HB3 LYS 471 HB1 LYS 471 14.419 -11.337 14.925 195 HG2 LYS 471 HG2 LYS 471 13.305 -10.015 12.432 196 HG3 LYS 471 HG1 LYS 471 14.436 -11.368 12.449 197 HD2 LYS 471 HD2 LYS 471 12.598 -12.473 14.000 198 HD3 LYS 471 HD1 LYS 471 11.535 -11.314 13.201 199 HE2 LYS 471 HE2 LYS 471 13.134 -13.554 11.977 200 HE3 LYS 471 HE1 LYS 471 11.414 -13.202 11.800 201 HZ1 LYS 471 HZ1 LYS 471 11.897 -11.315 10.479 202 HZ2 LYS 471 HZ2 LYS 471 12.820 -12.596 9.850 203 HZ3 LYS 471 HZ3 LYS 471 13.557 -11.406 10.813 204 H LYS 472 HN LYS 472 14.883 -8.123 15.556 205 HA LYS 472 HA LYS 472 14.945 -8.559 18.449 206 HB2 LYS 472 HB2 LYS 472 16.747 -6.697 16.914 207 HB3 LYS 472 HB1 LYS 472 17.067 -7.548 18.428 208 HG2 LYS 472 HG2 LYS 472 16.798 -8.791 15.675 209 HG3 LYS 472 HG1 LYS 472 18.269 -8.676 16.641 210 HD2 LYS 472 HD2 LYS 472 16.930 -9.977 18.446 211 HD3 LYS 472 HD1 LYS 472 15.833 -10.384 17.125 212 HE2 LYS 472 HE2 LYS 472 17.300 -12.152 16.927 213 HE3 LYS 472 HE1 LYS 472 18.140 -10.982 15.908 214 HZ1 LYS 472 HZ1 LYS 472 19.378 -12.207 17.833 215 HZ2 LYS 472 HZ2 LYS 472 18.684 -10.984 18.788 216 HZ3 LYS 472 HZ3 LYS 472 19.708 -10.578 17.494 217 HN1 NH2 473 H1 NH2 473 15.366 -6.368 19.753 218 HN2 NH2 473 H2 NH2 473 14.281 -5.113 19.399 Start of MODEL 38 1 H1 ACE 446 HA2 ACE 446 19.200 2.873 -20.857 2 H2 ACE 446 HA3 ACE 446 18.105 1.656 -21.511 3 H3 ACE 446 HA1 ACE 446 19.603 1.161 -20.721 4 H LYS 447 HN LYS 447 17.758 -0.148 -19.602 5 HA LYS 447 HA LYS 447 17.038 1.306 -17.134 6 HB2 LYS 447 HB2 LYS 447 15.262 -0.615 -18.661 7 HB3 LYS 447 HB1 LYS 447 14.890 0.086 -17.086 8 HG2 LYS 447 HG2 LYS 447 15.589 2.275 -18.700 9 HG3 LYS 447 HG1 LYS 447 14.582 1.255 -19.726 10 HD2 LYS 447 HD2 LYS 447 13.123 2.762 -18.520 11 HD3 LYS 447 HD1 LYS 447 12.906 1.145 -17.851 12 HE2 LYS 447 HE2 LYS 447 13.436 1.951 -15.818 13 HE3 LYS 447 HE1 LYS 447 15.049 2.332 -16.421 14 HZ1 LYS 447 HZ1 LYS 447 13.607 4.341 -17.437 15 HZ2 LYS 447 HZ2 LYS 447 14.444 4.423 -15.961 16 HZ3 LYS 447 HZ3 LYS 447 12.781 4.073 -15.980 17 H ASP 448 HN ASP 448 17.296 -1.899 -18.668 18 HA ASP 448 HA ASP 448 17.358 -3.471 -16.376 19 HB2 ASP 448 HB2 ASP 448 17.630 -3.934 -19.067 20 HB3 ASP 448 HB1 ASP 448 19.240 -4.322 -18.464 21 H GLN 449 HN GLN 449 19.743 -1.302 -17.629 22 HA GLN 449 HA GLN 449 21.885 -2.439 -16.001 23 HB2 GLN 449 HB2 GLN 449 21.798 -0.055 -17.862 24 HB3 GLN 449 HB1 GLN 449 23.236 -0.579 -16.983 25 HG2 GLN 449 HG2 GLN 449 22.940 -2.854 -18.058 26 HG3 GLN 449 HG1 GLN 449 21.694 -2.132 -19.076 27 HE21 GLN 449 HE21 GLN 449 25.177 -1.938 -18.276 28 HE22 GLN 449 HE22 GLN 449 25.627 -1.184 -19.729 29 H PHE 450 HN PHE 450 19.467 -0.006 -15.823 30 HA PHE 450 HA PHE 450 20.836 1.476 -13.708 31 HB2 PHE 450 HB2 PHE 450 18.093 1.849 -14.939 32 HB3 PHE 450 HB1 PHE 450 18.846 2.933 -13.769 33 HD1 PHE 450 HD1 PHE 450 19.429 1.361 -17.117 34 HD2 PHE 450 HD2 PHE 450 20.245 4.671 -14.503 35 HE1 PHE 450 HE1 PHE 450 20.624 2.519 -18.956 36 HE2 PHE 450 HE2 PHE 450 21.439 5.829 -16.341 37 HZ PHE 450 HZ PHE 450 21.628 4.753 -18.568 38 H ILE 451 HN ILE 451 18.003 -0.607 -14.151 39 HA ILE 451 HA ILE 451 16.886 -0.453 -11.613 40 HB ILE 451 HB ILE 451 17.051 -2.735 -13.581 41 HG12 ILE 451 HG12 ILE 451 14.548 -1.322 -12.757 42 HG13 ILE 451 HG11 ILE 451 15.679 -0.448 -13.792 43 HG21 ILE 451 HG21 ILE 451 15.942 -2.620 -10.810 44 HG22 ILE 451 HG22 ILE 451 16.638 -3.985 -11.683 45 HG23 ILE 451 HG23 ILE 451 14.994 -3.458 -12.037 46 HD11 ILE 451 HD11 ILE 451 15.439 -1.947 -15.555 47 HD12 ILE 451 HD12 ILE 451 13.813 -1.974 -14.870 48 HD13 ILE 451 HD13 ILE 451 14.949 -3.271 -14.497 49 H ILE 452 HN ILE 452 19.034 -3.089 -12.712 50 HA ILE 452 HA ILE 452 19.523 -4.244 -10.248 51 HB ILE 452 HB ILE 452 21.517 -5.206 -11.227 52 HG12 ILE 452 HG12 ILE 452 21.231 -2.920 -13.193 53 HG13 ILE 452 HG11 ILE 452 22.611 -3.287 -12.156 54 HG21 ILE 452 HG21 ILE 452 19.602 -4.811 -13.527 55 HG22 ILE 452 HG22 ILE 452 19.153 -5.763 -12.113 56 HG23 ILE 452 HG23 ILE 452 20.527 -6.253 -13.105 57 HD11 ILE 452 HD11 ILE 452 22.683 -5.552 -13.428 58 HD12 ILE 452 HD12 ILE 452 23.284 -4.115 -14.255 59 HD13 ILE 452 HD13 ILE 452 21.676 -4.738 -14.625 60 H ALA 453 HN ALA 453 20.780 -1.285 -11.575 61 HA ALA 453 HA ALA 453 23.019 -0.992 -9.841 62 HB1 ALA 453 HB1 ALA 453 22.057 0.365 -12.031 63 HB2 ALA 453 HB2 ALA 453 23.373 0.916 -10.995 64 HB3 ALA 453 HB3 ALA 453 21.730 1.493 -10.716 65 H TYR 454 HN TYR 454 19.605 -0.271 -9.562 66 HA TYR 454 HA TYR 454 19.952 1.276 -7.125 67 HB2 TYR 454 HB2 TYR 454 17.713 0.588 -8.940 68 HB3 TYR 454 HB1 TYR 454 17.290 0.814 -7.243 69 HD1 TYR 454 HD2 TYR 454 19.292 2.413 -9.981 70 HD2 TYR 454 HD1 TYR 454 16.956 2.982 -6.419 71 HE1 TYR 454 HE2 TYR 454 19.451 4.871 -10.267 72 HE2 TYR 454 HE1 TYR 454 17.116 5.438 -6.708 73 HH TYR 454 HH TYR 454 17.947 7.097 -7.919 74 H GLY 455 HN GLY 455 18.337 -1.785 -8.006 75 HA2 GLY 455 HA2 GLY 455 19.095 -3.676 -6.444 76 HA3 GLY 455 HA1 GLY 455 18.497 -2.612 -5.175 77 H GLY 456 HN GLY 456 17.007 -2.947 -8.344 78 HA2 GLY 456 HA2 GLY 456 14.854 -3.521 -8.937 79 HA3 GLY 456 HA1 GLY 456 15.129 -4.923 -7.909 80 H LEU 457 HN LEU 457 15.394 -1.908 -6.326 81 HA LEU 457 HA LEU 457 13.030 -2.473 -4.744 82 HB2 LEU 457 HB2 LEU 457 13.766 -0.653 -3.337 83 HB3 LEU 457 HB1 LEU 457 15.167 -1.647 -3.738 84 HG LEU 457 HG LEU 457 15.104 0.173 -5.819 85 HD11 LEU 457 HD11 LEU 457 14.407 1.604 -3.234 86 HD12 LEU 457 HD12 LEU 457 13.363 1.487 -4.652 87 HD13 LEU 457 HD13 LEU 457 14.879 2.382 -4.745 88 HD21 LEU 457 HD21 LEU 457 16.584 0.244 -3.174 89 HD22 LEU 457 HD22 LEU 457 17.019 1.233 -4.569 90 HD23 LEU 457 HD23 LEU 457 17.119 -0.525 -4.667 91 H ARG 458 HN ARG 458 13.914 -0.449 -7.399 92 HA ARG 458 HA ARG 458 11.638 1.338 -7.035 93 HB2 ARG 458 HB2 ARG 458 12.544 2.122 -9.396 94 HB3 ARG 458 HB1 ARG 458 13.362 2.593 -7.910 95 HG2 ARG 458 HG2 ARG 458 14.948 1.755 -9.630 96 HG3 ARG 458 HG1 ARG 458 14.967 0.763 -8.174 97 HD2 ARG 458 HD2 ARG 458 14.902 -0.527 -10.360 98 HD3 ARG 458 HD1 ARG 458 13.630 -0.935 -9.215 99 HE ARG 458 HE ARG 458 12.947 1.110 -11.177 100 HH11 ARG 458 HH21 ARG 458 12.940 -2.230 -10.261 101 HH12 ARG 458 HH22 ARG 458 11.634 -2.655 -11.314 102 HH21 ARG 458 HH11 ARG 458 11.238 0.554 -12.563 103 HH22 ARG 458 HH12 ARG 458 10.672 -1.082 -12.618 104 H GLY 459 HN GLY 459 11.523 -1.656 -7.689 105 HA2 GLY 459 HA2 GLY 459 9.984 -1.511 -10.204 106 HA3 GLY 459 HA1 GLY 459 10.632 -2.985 -9.486 107 H ALA 460 HN ALA 460 9.348 -0.946 -7.146 108 HA ALA 460 HA ALA 460 6.727 -2.310 -7.213 109 HB1 ALA 460 HB1 ALA 460 8.727 -2.822 -5.377 110 HB2 ALA 460 HB2 ALA 460 7.009 -3.157 -5.146 111 HB3 ALA 460 HB3 ALA 460 7.704 -1.654 -4.539 112 H ILE 461 HN ILE 461 8.491 0.593 -6.944 113 HA ILE 461 HA ILE 461 6.369 2.062 -5.598 114 HB ILE 461 HB ILE 461 9.005 2.913 -6.811 115 HG12 ILE 461 HG12 ILE 461 9.546 3.374 -4.419 116 HG13 ILE 461 HG11 ILE 461 7.972 2.724 -3.960 117 HG21 ILE 461 HG21 ILE 461 6.657 4.464 -5.852 118 HG22 ILE 461 HG22 ILE 461 7.883 4.898 -7.042 119 HG23 ILE 461 HG23 ILE 461 8.242 5.023 -5.320 120 HD11 ILE 461 HD11 ILE 461 10.141 1.184 -3.958 121 HD12 ILE 461 HD12 ILE 461 9.753 1.030 -5.670 122 HD13 ILE 461 HD13 ILE 461 8.576 0.542 -4.452 123 H ALA 462 HN ALA 462 8.006 2.279 -8.765 124 HA ALA 462 HA ALA 462 6.430 4.131 -10.019 125 HB1 ALA 462 HB1 ALA 462 7.887 1.708 -10.989 126 HB2 ALA 462 HB2 ALA 462 8.176 3.410 -11.348 127 HB3 ALA 462 HB3 ALA 462 6.829 2.564 -12.110 128 H PHE 463 HN PHE 463 5.706 0.711 -9.500 129 HA PHE 463 HA PHE 463 3.267 0.763 -11.019 130 HB2 PHE 463 HB2 PHE 463 3.621 -1.444 -10.874 131 HB3 PHE 463 HB1 PHE 463 4.864 -1.202 -9.645 132 HD1 PHE 463 HD2 PHE 463 1.162 -1.394 -10.126 133 HD2 PHE 463 HD1 PHE 463 4.453 -1.755 -7.390 134 HE1 PHE 463 HE2 PHE 463 -0.376 -2.278 -8.392 135 HE2 PHE 463 HE1 PHE 463 2.916 -2.640 -5.657 136 HZ PHE 463 HZ PHE 463 0.501 -2.901 -6.158 137 H SER 464 HN SER 464 4.158 1.183 -7.642 138 HA SER 464 HA SER 464 1.517 1.102 -6.588 139 HB2 SER 464 HB2 SER 464 2.488 1.948 -4.562 140 HB3 SER 464 HB1 SER 464 3.643 0.820 -5.265 141 HG SER 464 HG SER 464 3.824 3.526 -4.863 142 H LEU 465 HN LEU 465 3.077 3.338 -8.555 143 HA LEU 465 HA LEU 465 1.746 5.700 -7.514 144 HB2 LEU 465 HB2 LEU 465 3.824 5.106 -9.501 145 HB3 LEU 465 HB1 LEU 465 2.712 6.377 -10.006 146 HG LEU 465 HG LEU 465 4.705 7.221 -8.725 147 HD11 LEU 465 HD11 LEU 465 2.733 8.027 -6.815 148 HD12 LEU 465 HD12 LEU 465 1.946 7.864 -8.384 149 HD13 LEU 465 HD13 LEU 465 3.340 8.928 -8.205 150 HD21 LEU 465 HD21 LEU 465 3.553 6.366 -6.151 151 HD22 LEU 465 HD22 LEU 465 5.240 6.434 -6.660 152 HD23 LEU 465 HD23 LEU 465 4.240 5.053 -7.105 153 H GLY 466 HN GLY 466 1.796 4.277 -10.784 154 HA2 GLY 466 HA2 GLY 466 -0.624 5.477 -11.605 155 HA3 GLY 466 HA1 GLY 466 0.164 4.116 -12.397 156 H TYR 467 HN TYR 467 -0.250 3.246 -9.245 157 HA TYR 467 HA TYR 467 -2.562 1.589 -9.914 158 HB2 TYR 467 HB2 TYR 467 -1.047 0.227 -8.856 159 HB3 TYR 467 HB1 TYR 467 -0.412 1.531 -7.852 160 HD1 TYR 467 HD2 TYR 467 -3.437 -0.605 -8.366 161 HD2 TYR 467 HD1 TYR 467 -1.174 1.826 -5.641 162 HE1 TYR 467 HE2 TYR 467 -4.915 -1.316 -6.505 163 HE2 TYR 467 HE1 TYR 467 -2.652 1.116 -3.781 164 HH TYR 467 HH TYR 467 -5.579 -0.190 -4.155 165 H LEU 468 HN LEU 468 -1.631 4.148 -7.665 166 HA LEU 468 HA LEU 468 -3.935 4.070 -6.034 167 HB2 LEU 468 HB2 LEU 468 -2.163 6.430 -6.707 168 HB3 LEU 468 HB1 LEU 468 -3.286 6.337 -5.352 169 HG LEU 468 HG LEU 468 -1.246 4.166 -5.642 170 HD11 LEU 468 HD11 LEU 468 0.388 5.529 -4.382 171 HD12 LEU 468 HD12 LEU 468 -0.676 6.928 -4.530 172 HD13 LEU 468 HD13 LEU 468 0.056 6.221 -5.970 173 HD21 LEU 468 HD21 LEU 468 -3.186 4.532 -3.858 174 HD22 LEU 468 HD22 LEU 468 -1.984 5.584 -3.110 175 HD23 LEU 468 HD23 LEU 468 -1.622 3.878 -3.372 176 H LEU 469 HN LEU 469 -3.213 6.791 -8.193 177 HA LEU 469 HA LEU 469 -5.720 7.833 -8.438 178 HB2 LEU 469 HB2 LEU 469 -5.026 8.725 -10.633 179 HB3 LEU 469 HB1 LEU 469 -3.747 8.887 -9.429 180 HG LEU 469 HG LEU 469 -3.253 6.386 -10.492 181 HD11 LEU 469 HD11 LEU 469 -4.083 8.256 -12.734 182 HD12 LEU 469 HD12 LEU 469 -4.937 6.788 -12.261 183 HD13 LEU 469 HD13 LEU 469 -3.311 6.683 -12.937 184 HD21 LEU 469 HD21 LEU 469 -1.488 7.932 -10.053 185 HD22 LEU 469 HD22 LEU 469 -2.171 9.136 -11.146 186 HD23 LEU 469 HD23 LEU 469 -1.446 7.665 -11.796 187 H ASP 470 HN ASP 470 -4.623 4.826 -9.656 188 HA ASP 470 HA ASP 470 -6.695 4.560 -11.670 189 HB2 ASP 470 HB2 ASP 470 -4.423 2.919 -10.681 190 HB3 ASP 470 HB1 ASP 470 -5.778 2.059 -11.408 191 H LYS 471 HN LYS 471 -6.031 3.328 -8.416 192 HA LYS 471 HA LYS 471 -8.739 2.149 -8.345 193 HB2 LYS 471 HB2 LYS 471 -6.315 1.624 -6.608 194 HB3 LYS 471 HB1 LYS 471 -7.895 0.868 -6.394 195 HG2 LYS 471 HG2 LYS 471 -7.180 0.587 -9.138 196 HG3 LYS 471 HG1 LYS 471 -5.789 0.092 -8.173 197 HD2 LYS 471 HD2 LYS 471 -7.236 -1.410 -6.852 198 HD3 LYS 471 HD1 LYS 471 -8.626 -0.922 -7.823 199 HE2 LYS 471 HE2 LYS 471 -6.125 -2.155 -9.004 200 HE3 LYS 471 HE1 LYS 471 -7.547 -3.094 -8.551 201 HZ1 LYS 471 HZ1 LYS 471 -7.167 -1.929 -10.949 202 HZ2 LYS 471 HZ2 LYS 471 -8.130 -0.774 -10.157 203 HZ3 LYS 471 HZ3 LYS 471 -8.677 -2.375 -10.319 204 H LYS 472 HN LYS 472 -6.444 3.803 -6.160 205 HA LYS 472 HA LYS 472 -8.147 4.503 -4.124 206 HB2 LYS 472 HB2 LYS 472 -5.592 5.009 -4.526 207 HB3 LYS 472 HB1 LYS 472 -6.206 6.558 -5.108 208 HG2 LYS 472 HG2 LYS 472 -5.992 7.056 -2.862 209 HG3 LYS 472 HG1 LYS 472 -7.639 6.424 -2.866 210 HD2 LYS 472 HD2 LYS 472 -6.554 4.120 -2.433 211 HD3 LYS 472 HD1 LYS 472 -5.100 5.031 -2.019 212 HE2 LYS 472 HE2 LYS 472 -6.009 5.104 0.066 213 HE3 LYS 472 HE1 LYS 472 -7.005 6.395 -0.604 214 HZ1 LYS 472 HZ1 LYS 472 -8.114 4.375 0.551 215 HZ2 LYS 472 HZ2 LYS 472 -7.848 3.600 -0.938 216 HZ3 LYS 472 HZ3 LYS 472 -8.794 5.010 -0.868 217 HN1 NH2 473 H1 NH2 473 -9.806 6.031 -3.851 218 HN2 NH2 473 H2 NH2 473 -10.316 7.103 -5.064 Start of MODEL 39 1 H1 ACE 446 HA2 ACE 446 19.862 2.420 -19.444 2 H2 ACE 446 HA3 ACE 446 19.854 3.252 -17.890 3 H3 ACE 446 HA1 ACE 446 19.180 4.042 -19.315 4 H LYS 447 HN LYS 447 18.746 0.672 -18.321 5 HA LYS 447 HA LYS 447 16.050 1.152 -17.363 6 HB2 LYS 447 HB2 LYS 447 16.082 0.948 -19.985 7 HB3 LYS 447 HB1 LYS 447 16.290 -0.769 -19.652 8 HG2 LYS 447 HG2 LYS 447 13.936 -0.459 -19.805 9 HG3 LYS 447 HG1 LYS 447 14.279 -0.568 -18.081 10 HD2 LYS 447 HD2 LYS 447 14.544 2.177 -18.807 11 HD3 LYS 447 HD1 LYS 447 13.044 1.588 -19.522 12 HE2 LYS 447 HE2 LYS 447 12.305 0.733 -17.357 13 HE3 LYS 447 HE1 LYS 447 13.832 1.214 -16.619 14 HZ1 LYS 447 HZ1 LYS 447 12.699 3.074 -16.144 15 HZ2 LYS 447 HZ2 LYS 447 11.547 2.829 -17.368 16 HZ3 LYS 447 HZ3 LYS 447 13.060 3.503 -17.744 17 H ASP 448 HN ASP 448 17.783 -1.620 -18.788 18 HA ASP 448 HA ASP 448 17.068 -3.270 -16.505 19 HB2 ASP 448 HB2 ASP 448 18.870 -4.051 -18.794 20 HB3 ASP 448 HB1 ASP 448 17.896 -5.100 -17.765 21 H GLN 449 HN GLN 449 19.835 -1.526 -17.709 22 HA GLN 449 HA GLN 449 21.657 -2.820 -15.827 23 HB2 GLN 449 HB2 GLN 449 21.908 -1.134 -18.217 24 HB3 GLN 449 HB1 GLN 449 23.040 -0.716 -16.930 25 HG2 GLN 449 HG2 GLN 449 22.616 -3.566 -17.838 26 HG3 GLN 449 HG1 GLN 449 23.816 -2.513 -18.584 27 HE21 GLN 449 HE21 GLN 449 25.493 -1.565 -17.046 28 HE22 GLN 449 HE22 GLN 449 25.943 -2.479 -15.690 29 H PHE 450 HN PHE 450 19.520 -0.182 -15.903 30 HA PHE 450 HA PHE 450 20.994 1.428 -13.975 31 HB2 PHE 450 HB2 PHE 450 19.780 3.034 -14.957 32 HB3 PHE 450 HB1 PHE 450 18.791 1.837 -15.794 33 HD1 PHE 450 HD2 PHE 450 19.192 3.702 -12.600 34 HD2 PHE 450 HD1 PHE 450 16.607 1.265 -15.015 35 HE1 PHE 450 HE2 PHE 450 17.301 4.199 -11.077 36 HE2 PHE 450 HE1 PHE 450 14.715 1.763 -13.492 37 HZ PHE 450 HZ PHE 450 15.061 3.230 -11.523 38 H ILE 451 HN ILE 451 18.393 -0.903 -14.049 39 HA ILE 451 HA ILE 451 17.346 -0.363 -11.455 40 HB ILE 451 HB ILE 451 17.161 -2.663 -13.376 41 HG12 ILE 451 HG12 ILE 451 14.960 -1.086 -12.039 42 HG13 ILE 451 HG11 ILE 451 15.797 -0.460 -13.459 43 HG21 ILE 451 HG21 ILE 451 17.182 -3.890 -11.370 44 HG22 ILE 451 HG22 ILE 451 15.467 -3.563 -11.611 45 HG23 ILE 451 HG23 ILE 451 16.396 -2.600 -10.463 46 HD11 ILE 451 HD11 ILE 451 14.813 -1.965 -14.859 47 HD12 ILE 451 HD12 ILE 451 13.606 -2.086 -13.578 48 HD13 ILE 451 HD13 ILE 451 14.909 -3.271 -13.678 49 H ILE 452 HN ILE 452 19.346 -3.094 -12.601 50 HA ILE 452 HA ILE 452 19.934 -4.273 -10.191 51 HB ILE 452 HB ILE 452 20.648 -5.197 -12.352 52 HG12 ILE 452 HG12 ILE 452 23.084 -4.656 -10.634 53 HG13 ILE 452 HG11 ILE 452 21.810 -5.777 -10.156 54 HG21 ILE 452 HG21 ILE 452 21.588 -2.658 -12.849 55 HG22 ILE 452 HG22 ILE 452 21.994 -4.085 -13.804 56 HG23 ILE 452 HG23 ILE 452 23.078 -3.543 -12.522 57 HD11 ILE 452 HD11 ILE 452 23.845 -6.763 -11.406 58 HD12 ILE 452 HD12 ILE 452 23.165 -5.998 -12.842 59 HD13 ILE 452 HD13 ILE 452 22.242 -7.226 -11.976 60 H ALA 453 HN ALA 453 20.925 -1.183 -11.314 61 HA ALA 453 HA ALA 453 23.248 -0.930 -9.628 62 HB1 ALA 453 HB1 ALA 453 23.377 1.301 -10.415 63 HB2 ALA 453 HB2 ALA 453 21.661 1.343 -10.816 64 HB3 ALA 453 HB3 ALA 453 22.768 0.369 -11.783 65 H TYR 454 HN TYR 454 19.826 -0.145 -9.397 66 HA TYR 454 HA TYR 454 20.194 0.382 -6.530 67 HB2 TYR 454 HB2 TYR 454 18.512 2.176 -8.284 68 HB3 TYR 454 HB1 TYR 454 18.903 2.398 -6.579 69 HD1 TYR 454 HD2 TYR 454 21.534 2.343 -6.056 70 HD2 TYR 454 HD1 TYR 454 19.779 3.374 -9.839 71 HE1 TYR 454 HE2 TYR 454 23.594 3.573 -6.677 72 HE2 TYR 454 HE1 TYR 454 21.839 4.604 -10.460 73 HH TYR 454 HH TYR 454 23.762 5.771 -9.101 74 H GLY 455 HN GLY 455 17.628 0.421 -9.020 75 HA2 GLY 455 HA2 GLY 455 15.497 -0.383 -7.473 76 HA3 GLY 455 HA1 GLY 455 15.664 -0.781 -9.179 77 H GLY 456 HN GLY 456 18.312 -2.142 -8.088 78 HA2 GLY 456 HA2 GLY 456 17.010 -4.652 -7.205 79 HA3 GLY 456 HA1 GLY 456 18.296 -4.637 -8.409 80 H LEU 457 HN LEU 457 19.802 -2.524 -7.082 81 HA LEU 457 HA LEU 457 21.010 -4.164 -4.962 82 HB2 LEU 457 HB2 LEU 457 22.469 -3.445 -6.829 83 HB3 LEU 457 HB1 LEU 457 22.117 -1.763 -6.445 84 HG LEU 457 HG LEU 457 23.098 -2.079 -4.188 85 HD11 LEU 457 HD11 LEU 457 24.571 -4.297 -4.130 86 HD12 LEU 457 HD12 LEU 457 23.293 -4.896 -5.186 87 HD13 LEU 457 HD13 LEU 457 22.898 -4.304 -3.573 88 HD21 LEU 457 HD21 LEU 457 24.588 -1.240 -5.872 89 HD22 LEU 457 HD22 LEU 457 24.796 -2.844 -6.574 90 HD23 LEU 457 HD23 LEU 457 25.477 -2.481 -4.989 91 H ARG 458 HN ARG 458 19.342 -3.569 -3.421 92 HA ARG 458 HA ARG 458 19.407 -0.769 -2.526 93 HB2 ARG 458 HB2 ARG 458 17.615 -2.848 -1.328 94 HB3 ARG 458 HB1 ARG 458 17.337 -1.119 -1.541 95 HG2 ARG 458 HG2 ARG 458 17.554 -1.791 -4.120 96 HG3 ARG 458 HG1 ARG 458 17.005 -3.347 -3.497 97 HD2 ARG 458 HD2 ARG 458 15.620 -0.684 -3.080 98 HD3 ARG 458 HD1 ARG 458 15.089 -1.961 -4.169 99 HE ARG 458 HE ARG 458 14.841 -1.939 -1.267 100 HH11 ARG 458 HH21 ARG 458 14.812 -3.750 -4.218 101 HH12 ARG 458 HH22 ARG 458 13.867 -5.050 -3.571 102 HH21 ARG 458 HH11 ARG 458 13.602 -3.640 -0.414 103 HH22 ARG 458 HH12 ARG 458 13.183 -4.987 -1.418 104 H GLY 459 HN GLY 459 21.670 -2.510 -2.077 105 HA2 GLY 459 HA2 GLY 459 23.107 -3.161 -0.398 106 HA3 GLY 459 HA1 GLY 459 22.326 -1.899 0.551 107 H ALA 460 HN ALA 460 20.053 -4.124 -0.491 108 HA ALA 460 HA ALA 460 20.276 -5.720 1.989 109 HB1 ALA 460 HB1 ALA 460 18.217 -3.878 1.258 110 HB2 ALA 460 HB2 ALA 460 18.318 -4.900 2.694 111 HB3 ALA 460 HB3 ALA 460 17.544 -5.509 1.230 112 H ILE 461 HN ILE 461 19.897 -5.641 -1.392 113 HA ILE 461 HA ILE 461 18.708 -8.308 -1.544 114 HB ILE 461 HB ILE 461 19.482 -6.238 -3.591 115 HG12 ILE 461 HG12 ILE 461 17.085 -6.359 -4.116 116 HG13 ILE 461 HG11 ILE 461 16.877 -7.650 -2.931 117 HG21 ILE 461 HG21 ILE 461 18.365 -8.062 -5.147 118 HG22 ILE 461 HG22 ILE 461 18.964 -9.171 -3.914 119 HG23 ILE 461 HG23 ILE 461 20.091 -8.134 -4.787 120 HD11 ILE 461 HD11 ILE 461 18.071 -5.016 -2.104 121 HD12 ILE 461 HD12 ILE 461 17.239 -6.214 -1.112 122 HD13 ILE 461 HD13 ILE 461 16.320 -5.198 -2.224 123 H ALA 462 HN ALA 462 21.755 -6.660 -2.306 124 HA ALA 462 HA ALA 462 23.078 -8.930 -3.377 125 HB1 ALA 462 HB1 ALA 462 25.106 -7.390 -2.394 126 HB2 ALA 462 HB2 ALA 462 23.810 -6.204 -2.533 127 HB3 ALA 462 HB3 ALA 462 24.318 -7.123 -3.950 128 H PHE 463 HN PHE 463 22.701 -7.672 -0.110 129 HA PHE 463 HA PHE 463 24.680 -9.244 1.152 130 HB2 PHE 463 HB2 PHE 463 24.013 -7.868 2.794 131 HB3 PHE 463 HB1 PHE 463 22.507 -7.499 1.952 132 HD1 PHE 463 HD1 PHE 463 20.509 -8.944 2.254 133 HD2 PHE 463 HD2 PHE 463 24.108 -9.552 4.518 134 HE1 PHE 463 HE1 PHE 463 19.259 -10.360 3.861 135 HE2 PHE 463 HE2 PHE 463 22.859 -10.969 6.124 136 HZ PHE 463 HZ PHE 463 20.434 -11.373 5.796 137 H SER 464 HN SER 464 21.239 -9.828 0.509 138 HA SER 464 HA SER 464 21.119 -12.335 1.847 139 HB2 SER 464 HB2 SER 464 19.176 -12.366 -0.160 140 HB3 SER 464 HB1 SER 464 18.955 -11.855 1.511 141 HG SER 464 HG SER 464 19.557 -9.754 0.863 142 H LEU 465 HN LEU 465 22.602 -11.373 -1.027 143 HA LEU 465 HA LEU 465 22.343 -13.968 -2.343 144 HB2 LEU 465 HB2 LEU 465 23.174 -11.258 -3.117 145 HB3 LEU 465 HB1 LEU 465 24.182 -12.530 -3.802 146 HG LEU 465 HG LEU 465 22.200 -11.919 -5.230 147 HD11 LEU 465 HD11 LEU 465 23.147 -14.505 -4.475 148 HD12 LEU 465 HD12 LEU 465 22.427 -14.014 -6.008 149 HD13 LEU 465 HD13 LEU 465 21.403 -14.617 -4.706 150 HD21 LEU 465 HD21 LEU 465 20.069 -11.987 -4.436 151 HD22 LEU 465 HD22 LEU 465 20.837 -11.878 -2.852 152 HD23 LEU 465 HD23 LEU 465 20.364 -13.450 -3.497 153 H GLY 466 HN GLY 466 24.872 -11.924 -0.908 154 HA2 GLY 466 HA2 GLY 466 26.842 -14.061 -1.178 155 HA3 GLY 466 HA1 GLY 466 27.142 -12.435 -0.581 156 H TYR 467 HN TYR 467 24.559 -12.976 1.099 157 HA TYR 467 HA TYR 467 25.737 -13.363 3.569 158 HB2 TYR 467 HB2 TYR 467 23.592 -12.651 3.854 159 HB3 TYR 467 HB1 TYR 467 22.988 -13.590 2.489 160 HD1 TYR 467 HD2 TYR 467 24.308 -13.958 5.969 161 HD2 TYR 467 HD1 TYR 467 21.881 -15.633 2.848 162 HE1 TYR 467 HE2 TYR 467 23.517 -15.717 7.529 163 HE2 TYR 467 HE1 TYR 467 21.090 -17.393 4.406 164 HH TYR 467 HH TYR 467 21.853 -17.294 7.826 165 H LEU 468 HN LEU 468 24.732 -15.754 1.212 166 HA LEU 468 HA LEU 468 24.896 -17.995 2.986 167 HB2 LEU 468 HB2 LEU 468 24.985 -17.898 -0.039 168 HB3 LEU 468 HB1 LEU 468 24.729 -19.344 0.938 169 HG LEU 468 HG LEU 468 22.846 -17.565 1.934 170 HD11 LEU 468 HD11 LEU 468 21.673 -16.707 -0.057 171 HD12 LEU 468 HD12 LEU 468 22.955 -17.339 -1.090 172 HD13 LEU 468 HD13 LEU 468 23.300 -16.034 0.045 173 HD21 LEU 468 HD21 LEU 468 22.540 -19.653 -0.250 174 HD22 LEU 468 HD22 LEU 468 21.232 -19.028 0.755 175 HD23 LEU 468 HD23 LEU 468 22.533 -19.971 1.484 176 H LEU 469 HN LEU 469 26.888 -17.322 0.101 177 HA LEU 469 HA LEU 469 28.994 -19.022 0.885 178 HB2 LEU 469 HB2 LEU 469 30.319 -17.491 -0.785 179 HB3 LEU 469 HB1 LEU 469 29.041 -18.547 -1.383 180 HG LEU 469 HG LEU 469 28.156 -15.864 -0.484 181 HD11 LEU 469 HD11 LEU 469 30.023 -16.300 -2.814 182 HD12 LEU 469 HD12 LEU 469 30.111 -15.068 -1.555 183 HD13 LEU 469 HD13 LEU 469 28.866 -14.971 -2.799 184 HD21 LEU 469 HD21 LEU 469 26.597 -16.136 -2.236 185 HD22 LEU 469 HD22 LEU 469 26.843 -17.786 -1.667 186 HD23 LEU 469 HD23 LEU 469 27.656 -17.227 -3.128 187 H ASP 470 HN ASP 470 28.013 -16.288 2.393 188 HA ASP 470 HA ASP 470 30.725 -15.405 3.125 189 HB2 ASP 470 HB2 ASP 470 29.231 -13.611 2.471 190 HB3 ASP 470 HB1 ASP 470 28.015 -14.156 3.625 191 H LYS 471 HN LYS 471 27.777 -16.813 4.413 192 HA LYS 471 HA LYS 471 29.015 -16.998 7.082 193 HB2 LYS 471 HB2 LYS 471 26.159 -17.258 6.134 194 HB3 LYS 471 HB1 LYS 471 26.667 -17.692 7.767 195 HG2 LYS 471 HG2 LYS 471 27.448 -15.010 6.671 196 HG3 LYS 471 HG1 LYS 471 25.796 -15.246 7.243 197 HD2 LYS 471 HD2 LYS 471 27.965 -16.234 9.028 198 HD3 LYS 471 HD1 LYS 471 27.802 -14.486 8.877 199 HE2 LYS 471 HE2 LYS 471 26.423 -15.372 10.736 200 HE3 LYS 471 HE1 LYS 471 25.429 -14.629 9.482 201 HZ1 LYS 471 HZ1 LYS 471 26.016 -17.532 9.558 202 HZ2 LYS 471 HZ2 LYS 471 24.842 -16.727 8.628 203 HZ3 LYS 471 HZ3 LYS 471 24.658 -16.850 10.312 204 H LYS 472 HN LYS 472 27.125 -18.977 4.790 205 HA LYS 472 HA LYS 472 27.751 -21.438 6.114 206 HB2 LYS 472 HB2 LYS 472 26.623 -20.848 3.370 207 HB3 LYS 472 HB1 LYS 472 26.777 -22.470 4.048 208 HG2 LYS 472 HG2 LYS 472 25.428 -20.407 5.728 209 HG3 LYS 472 HG1 LYS 472 24.536 -21.032 4.340 210 HD2 LYS 472 HD2 LYS 472 24.733 -23.295 5.131 211 HD3 LYS 472 HD1 LYS 472 25.868 -22.815 6.393 212 HE2 LYS 472 HE2 LYS 472 23.641 -23.126 7.361 213 HE3 LYS 472 HE1 LYS 472 24.088 -21.421 7.429 214 HZ1 LYS 472 HZ1 LYS 472 22.081 -22.753 5.777 215 HZ2 LYS 472 HZ2 LYS 472 22.910 -21.439 5.090 216 HZ3 LYS 472 HZ3 LYS 472 22.030 -21.235 6.530 217 HN1 NH2 473 H1 NH2 473 29.042 -19.857 3.154 218 HN2 NH2 473 H2 NH2 473 30.412 -20.854 3.046 Start of MODEL 40 1 H1 ACE 446 HA2 ACE 446 19.281 0.598 -20.801 2 H2 ACE 446 HA3 ACE 446 18.577 2.096 -21.410 3 H3 ACE 446 HA1 ACE 446 17.843 0.547 -21.822 4 H LYS 447 HN LYS 447 17.812 -0.738 -19.391 5 HA LYS 447 HA LYS 447 16.490 1.028 -17.468 6 HB2 LYS 447 HB2 LYS 447 15.132 -1.386 -18.694 7 HB3 LYS 447 HB1 LYS 447 14.506 -0.434 -17.345 8 HG2 LYS 447 HG2 LYS 447 14.728 1.599 -18.919 9 HG3 LYS 447 HG1 LYS 447 14.886 0.414 -20.217 10 HD2 LYS 447 HD2 LYS 447 12.547 0.789 -18.332 11 HD3 LYS 447 HD1 LYS 447 12.556 0.957 -20.088 12 HE2 LYS 447 HE2 LYS 447 13.282 -1.518 -20.137 13 HE3 LYS 447 HE1 LYS 447 12.772 -1.569 -18.450 14 HZ1 LYS 447 HZ1 LYS 447 10.709 -1.835 -19.165 15 HZ2 LYS 447 HZ2 LYS 447 11.185 -1.642 -20.784 16 HZ3 LYS 447 HZ3 LYS 447 10.758 -0.286 -19.852 17 H ASP 448 HN ASP 448 17.691 -2.176 -18.323 18 HA ASP 448 HA ASP 448 17.572 -3.280 -15.703 19 HB2 ASP 448 HB2 ASP 448 17.740 -4.706 -17.676 20 HB3 ASP 448 HB1 ASP 448 19.313 -4.015 -18.068 21 H GLN 449 HN GLN 449 20.399 -2.186 -17.598 22 HA GLN 449 HA GLN 449 22.335 -2.331 -15.656 23 HB2 GLN 449 HB2 GLN 449 21.926 -0.435 -17.950 24 HB3 GLN 449 HB1 GLN 449 23.297 -0.230 -16.860 25 HG2 GLN 449 HG2 GLN 449 22.813 -2.987 -17.855 26 HG3 GLN 449 HG1 GLN 449 23.391 -1.820 -19.042 27 HE21 GLN 449 HE21 GLN 449 24.151 -2.294 -15.542 28 HE22 GLN 449 HE22 GLN 449 25.830 -2.378 -15.775 29 H PHE 450 HN PHE 450 19.669 -0.150 -15.837 30 HA PHE 450 HA PHE 450 20.802 1.677 -13.854 31 HB2 PHE 450 HB2 PHE 450 18.088 1.674 -15.197 32 HB3 PHE 450 HB1 PHE 450 18.734 2.958 -14.174 33 HD1 PHE 450 HD2 PHE 450 20.718 4.273 -14.912 34 HD2 PHE 450 HD1 PHE 450 18.808 1.404 -17.475 35 HE1 PHE 450 HE2 PHE 450 21.871 5.259 -16.875 36 HE2 PHE 450 HE1 PHE 450 19.960 2.389 -19.437 37 HZ PHE 450 HZ PHE 450 21.492 4.317 -19.137 38 H ILE 451 HN ILE 451 18.055 -0.556 -14.189 39 HA ILE 451 HA ILE 451 17.029 -0.230 -11.584 40 HB ILE 451 HB ILE 451 16.828 -2.388 -13.663 41 HG12 ILE 451 HG12 ILE 451 14.585 -0.919 -12.303 42 HG13 ILE 451 HG11 ILE 451 15.542 -0.092 -13.533 43 HG21 ILE 451 HG21 ILE 451 15.052 -3.346 -12.013 44 HG22 ILE 451 HG22 ILE 451 15.976 -2.493 -10.775 45 HG23 ILE 451 HG23 ILE 451 16.750 -3.747 -11.745 46 HD11 ILE 451 HD11 ILE 451 13.420 -1.382 -14.301 47 HD12 ILE 451 HD12 ILE 451 14.397 -2.831 -14.057 48 HD13 ILE 451 HD13 ILE 451 14.909 -1.609 -15.221 49 H ILE 452 HN ILE 452 19.029 -2.900 -12.871 50 HA ILE 452 HA ILE 452 19.493 -4.237 -10.492 51 HB ILE 452 HB ILE 452 20.194 -4.932 -12.840 52 HG12 ILE 452 HG12 ILE 452 22.050 -5.152 -10.458 53 HG13 ILE 452 HG11 ILE 452 20.849 -6.322 -11.006 54 HG21 ILE 452 HG21 ILE 452 22.251 -4.159 -13.721 55 HG22 ILE 452 HG22 ILE 452 22.736 -3.439 -12.185 56 HG23 ILE 452 HG23 ILE 452 21.455 -2.694 -13.143 57 HD11 ILE 452 HD11 ILE 452 23.574 -5.762 -12.075 58 HD12 ILE 452 HD12 ILE 452 22.322 -6.184 -13.244 59 HD13 ILE 452 HD13 ILE 452 22.715 -7.295 -11.933 60 H ALA 453 HN ALA 453 21.179 -1.431 -11.835 61 HA ALA 453 HA ALA 453 23.282 -1.270 -9.989 62 HB1 ALA 453 HB1 ALA 453 21.873 0.675 -11.764 63 HB2 ALA 453 HB2 ALA 453 23.573 0.207 -11.735 64 HB3 ALA 453 HB3 ALA 453 22.940 1.311 -10.512 65 H TYR 454 HN TYR 454 19.909 -0.444 -9.737 66 HA TYR 454 HA TYR 454 20.355 0.789 -7.098 67 HB2 TYR 454 HB2 TYR 454 18.228 1.006 -9.178 68 HB3 TYR 454 HB1 TYR 454 17.746 1.205 -7.493 69 HD1 TYR 454 HD1 TYR 454 19.912 2.521 -10.190 70 HD2 TYR 454 HD2 TYR 454 18.463 3.102 -6.188 71 HE1 TYR 454 HE1 TYR 454 20.826 4.827 -10.194 72 HE2 TYR 454 HE2 TYR 454 19.377 5.407 -6.193 73 HH TYR 454 HH TYR 454 21.140 6.682 -7.369 74 H GLY 455 HN GLY 455 20.557 -2.093 -7.644 75 HA2 GLY 455 HA2 GLY 455 19.703 -4.133 -6.932 76 HA3 GLY 455 HA1 GLY 455 19.546 -3.246 -5.419 77 H GLY 456 HN GLY 456 17.727 -2.320 -8.243 78 HA2 GLY 456 HA2 GLY 456 15.446 -2.095 -8.527 79 HA3 GLY 456 HA1 GLY 456 15.436 -3.810 -8.127 80 H LEU 457 HN LEU 457 16.532 -1.449 -5.798 81 HA LEU 457 HA LEU 457 14.727 -2.330 -3.814 82 HB2 LEU 457 HB2 LEU 457 15.499 -0.343 -2.525 83 HB3 LEU 457 HB1 LEU 457 16.823 -1.304 -3.176 84 HG LEU 457 HG LEU 457 16.395 0.462 -5.230 85 HD11 LEU 457 HD11 LEU 457 16.217 2.162 -2.751 86 HD12 LEU 457 HD12 LEU 457 14.752 1.601 -3.552 87 HD13 LEU 457 HD13 LEU 457 15.898 2.613 -4.426 88 HD21 LEU 457 HD21 LEU 457 18.411 1.610 -4.379 89 HD22 LEU 457 HD22 LEU 457 18.565 -0.136 -4.197 90 HD23 LEU 457 HD23 LEU 457 18.171 0.863 -2.800 91 H ARG 458 HN ARG 458 14.716 0.554 -5.882 92 HA ARG 458 HA ARG 458 13.099 2.222 -6.096 93 HB2 ARG 458 HB2 ARG 458 11.919 -0.435 -6.798 94 HB3 ARG 458 HB1 ARG 458 10.889 0.996 -6.848 95 HG2 ARG 458 HG2 ARG 458 11.958 0.570 -9.043 96 HG3 ARG 458 HG1 ARG 458 12.478 2.110 -8.357 97 HD2 ARG 458 HD2 ARG 458 14.086 -0.329 -7.720 98 HD3 ARG 458 HD1 ARG 458 14.241 0.368 -9.330 99 HE ARG 458 HE ARG 458 15.165 1.539 -6.840 100 HH11 ARG 458 HH21 ARG 458 14.230 2.032 -10.136 101 HH12 ARG 458 HH22 ARG 458 15.123 3.505 -10.313 102 HH21 ARG 458 HH11 ARG 458 16.337 3.472 -7.065 103 HH22 ARG 458 HH12 ARG 458 16.314 4.321 -8.575 104 H GLY 459 HN GLY 459 13.264 2.539 -3.639 105 HA2 GLY 459 HA2 GLY 459 10.567 2.173 -2.476 106 HA3 GLY 459 HA1 GLY 459 12.021 1.920 -1.516 107 H ALA 460 HN ALA 460 12.949 4.296 -3.473 108 HA ALA 460 HA ALA 460 12.146 6.391 -1.559 109 HB1 ALA 460 HB1 ALA 460 14.502 6.134 -3.427 110 HB2 ALA 460 HB2 ALA 460 14.519 6.204 -1.665 111 HB3 ALA 460 HB3 ALA 460 14.100 7.638 -2.600 112 H ILE 461 HN ILE 461 12.808 6.010 -5.047 113 HA ILE 461 HA ILE 461 11.734 8.389 -5.953 114 HB ILE 461 HB ILE 461 11.956 5.651 -7.165 115 HG12 ILE 461 HG12 ILE 461 13.505 6.856 -8.661 116 HG13 ILE 461 HG11 ILE 461 13.108 8.374 -7.854 117 HG21 ILE 461 HG21 ILE 461 9.977 6.338 -8.240 118 HG22 ILE 461 HG22 ILE 461 11.239 6.904 -9.332 119 HG23 ILE 461 HG23 ILE 461 10.453 8.037 -8.232 120 HD11 ILE 461 HD11 ILE 461 15.245 7.210 -7.063 121 HD12 ILE 461 HD12 ILE 461 14.194 5.986 -6.352 122 HD13 ILE 461 HD13 ILE 461 14.095 7.659 -5.804 123 H ALA 462 HN ALA 462 10.078 5.371 -5.149 124 HA ALA 462 HA ALA 462 7.520 6.032 -6.109 125 HB1 ALA 462 HB1 ALA 462 7.741 3.795 -5.515 126 HB2 ALA 462 HB2 ALA 462 6.814 4.432 -4.157 127 HB3 ALA 462 HB3 ALA 462 8.551 4.171 -3.996 128 H PHE 463 HN PHE 463 9.228 6.962 -3.206 129 HA PHE 463 HA PHE 463 6.861 8.075 -1.941 130 HB2 PHE 463 HB2 PHE 463 8.144 7.654 -0.149 131 HB3 PHE 463 HB1 PHE 463 9.578 7.430 -1.151 132 HD1 PHE 463 HD2 PHE 463 7.452 9.981 0.526 133 HD2 PHE 463 HD1 PHE 463 11.198 9.164 -1.414 134 HE1 PHE 463 HE2 PHE 463 8.311 12.189 1.254 135 HE2 PHE 463 HE1 PHE 463 12.057 11.374 -0.684 136 HZ PHE 463 HZ PHE 463 10.615 12.886 0.649 137 H SER 464 HN SER 464 9.839 9.279 -3.462 138 HA SER 464 HA SER 464 9.405 12.019 -3.074 139 HB2 SER 464 HB2 SER 464 10.699 10.847 -5.533 140 HB3 SER 464 HB1 SER 464 11.052 12.380 -4.742 141 HG SER 464 HG SER 464 11.478 10.823 -2.851 142 H LEU 465 HN LEU 465 7.965 9.767 -5.298 143 HA LEU 465 HA LEU 465 6.873 11.828 -7.027 144 HB2 LEU 465 HB2 LEU 465 7.006 8.890 -7.003 145 HB3 LEU 465 HB1 LEU 465 5.492 9.540 -7.629 146 HG LEU 465 HG LEU 465 6.722 10.952 -9.209 147 HD11 LEU 465 HD11 LEU 465 8.799 11.558 -8.540 148 HD12 LEU 465 HD12 LEU 465 9.322 10.010 -9.206 149 HD13 LEU 465 HD13 LEU 465 8.958 10.154 -7.485 150 HD21 LEU 465 HD21 LEU 465 7.716 8.084 -9.253 151 HD22 LEU 465 HD22 LEU 465 7.636 9.174 -10.638 152 HD23 LEU 465 HD23 LEU 465 6.151 8.623 -9.862 153 H GLY 466 HN GLY 466 5.657 9.563 -4.573 154 HA2 GLY 466 HA2 GLY 466 2.970 10.638 -4.715 155 HA3 GLY 466 HA1 GLY 466 3.546 9.400 -3.602 156 H TYR 467 HN TYR 467 5.750 11.834 -3.467 157 HA TYR 467 HA TYR 467 4.800 12.734 -0.891 158 HB2 TYR 467 HB2 TYR 467 7.060 12.707 -0.724 159 HB3 TYR 467 HB1 TYR 467 7.290 12.913 -2.461 160 HD1 TYR 467 HD2 TYR 467 6.118 14.790 0.565 161 HD2 TYR 467 HD1 TYR 467 8.010 14.986 -3.286 162 HE1 TYR 467 HE2 TYR 467 6.586 17.200 0.917 163 HE2 TYR 467 HE1 TYR 467 8.478 17.395 -2.934 164 HH TYR 467 HH TYR 467 7.241 19.295 -1.366 165 H LEU 468 HN LEU 468 4.934 13.979 -4.163 166 HA LEU 468 HA LEU 468 4.407 16.702 -3.515 167 HB2 LEU 468 HB2 LEU 468 3.881 15.197 -6.088 168 HB3 LEU 468 HB1 LEU 468 3.908 16.951 -5.903 169 HG LEU 468 HG LEU 468 6.314 16.162 -4.773 170 HD11 LEU 468 HD11 LEU 468 5.802 14.546 -7.289 171 HD12 LEU 468 HD12 LEU 468 5.976 13.878 -5.666 172 HD13 LEU 468 HD13 LEU 468 7.344 14.674 -6.443 173 HD21 LEU 468 HD21 LEU 468 5.732 17.017 -7.626 174 HD22 LEU 468 HD22 LEU 468 7.296 17.145 -6.822 175 HD23 LEU 468 HD23 LEU 468 5.929 18.098 -6.249 176 H LEU 469 HN LEU 469 2.237 14.626 -5.411 177 HA LEU 469 HA LEU 469 -0.100 15.993 -4.987 178 HB2 LEU 469 HB2 LEU 469 -1.286 13.956 -5.541 179 HB3 LEU 469 HB1 LEU 469 0.183 14.036 -6.512 180 HG LEU 469 HG LEU 469 1.040 12.744 -4.219 181 HD11 LEU 469 HD11 LEU 469 -0.607 10.947 -3.837 182 HD12 LEU 469 HD12 LEU 469 -1.717 11.718 -4.969 183 HD13 LEU 469 HD13 LEU 469 -1.303 12.523 -3.456 184 HD21 LEU 469 HD21 LEU 469 0.071 11.726 -6.901 185 HD22 LEU 469 HD22 LEU 469 0.850 10.673 -5.721 186 HD23 LEU 469 HD23 LEU 469 1.731 12.043 -6.396 187 H ASP 470 HN ASP 470 1.716 14.277 -2.669 188 HA ASP 470 HA ASP 470 -0.498 13.758 -0.867 189 HB2 ASP 470 HB2 ASP 470 1.225 12.184 -0.643 190 HB3 ASP 470 HB1 ASP 470 2.485 13.415 -0.714 191 H LYS 471 HN LYS 471 2.184 16.058 -1.130 192 HA LYS 471 HA LYS 471 1.095 17.567 1.156 193 HB2 LYS 471 HB2 LYS 471 3.760 17.712 -0.271 194 HB3 LYS 471 HB1 LYS 471 3.266 18.813 1.017 195 HG2 LYS 471 HG2 LYS 471 2.785 16.078 1.817 196 HG3 LYS 471 HG1 LYS 471 4.464 16.277 1.318 197 HD2 LYS 471 HD2 LYS 471 4.670 18.237 2.817 198 HD3 LYS 471 HD1 LYS 471 3.002 18.000 3.339 199 HE2 LYS 471 HE2 LYS 471 4.108 15.488 3.680 200 HE3 LYS 471 HE1 LYS 471 5.426 16.562 4.145 201 HZ1 LYS 471 HZ1 LYS 471 4.132 16.188 6.067 202 HZ2 LYS 471 HZ2 LYS 471 2.676 16.490 5.245 203 HZ3 LYS 471 HZ3 LYS 471 3.762 17.760 5.550 204 H LYS 472 HN LYS 472 2.299 18.077 -2.162 205 HA LYS 472 HA LYS 472 1.344 20.770 -2.311 206 HB2 LYS 472 HB2 LYS 472 2.209 18.824 -4.462 207 HB3 LYS 472 HB1 LYS 472 1.844 20.527 -4.746 208 HG2 LYS 472 HG2 LYS 472 3.773 19.868 -2.564 209 HG3 LYS 472 HG1 LYS 472 4.332 19.711 -4.229 210 HD2 LYS 472 HD2 LYS 472 2.854 22.192 -3.413 211 HD3 LYS 472 HD1 LYS 472 4.558 22.024 -2.986 212 HE2 LYS 472 HE2 LYS 472 3.764 21.384 -5.792 213 HE3 LYS 472 HE1 LYS 472 3.806 23.082 -5.320 214 HZ1 LYS 472 HZ1 LYS 472 5.955 21.439 -5.974 215 HZ2 LYS 472 HZ2 LYS 472 6.088 21.783 -4.315 216 HZ3 LYS 472 HZ3 LYS 472 6.002 23.050 -5.445 217 HN1 NH2 473 H1 NH2 473 0.345 18.688 -4.947 218 HN2 NH2 473 H2 NH2 473 -1.325 18.862 -4.698
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