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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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643257 |
6pqf ![]() ![]() |
30630 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 1.589 -0.651 -1.943 3 HB1 ALA 1 HB1 ALA 1 2.818 1.413 -2.673 4 HB2 ALA 1 HB2 ALA 1 1.144 1.672 -2.178 5 HB3 ALA 1 HB3 ALA 1 2.463 2.100 -1.088 6 H CYS 2 H CYS 2 3.410 -1.608 -2.690 7 HA CYS 2 HA CYS 2 5.672 -1.771 -0.823 8 HB2 CYS 2 HB2 CYS 2 4.348 -3.679 -2.607 9 HB3 CYS 2 HB3 CYS 2 6.103 -3.704 -2.741 10 H GLY 3 H GLY 3 5.450 -2.238 -4.343 11 HA2 GLY 3 HA2 GLY 3 6.379 -0.486 -5.821 12 HA3 GLY 3 HA3 GLY 3 7.653 -0.287 -4.627 13 H DBB 4 H DBB 4 6.656 -3.517 -5.155 14 HA DBB 4 HA DBB 4 8.108 -4.202 -7.408 15 HB2 DBB 4 HB DBB 4 6.544 -5.616 -6.310 16 HG1 DBB 4 HG21 DBB 4 9.246 -6.863 -6.602 17 HG2 DBB 4 HG22 DBB 4 8.083 -6.557 -7.893 18 HG3 DBB 4 HG23 DBB 4 7.715 -7.737 -6.633 19 H GLY 5 H GLY 5 10.250 -5.017 -7.806 20 HA2 GLY 5 HA2 GLY 5 12.534 -4.267 -7.405 21 HA3 GLY 5 HA3 GLY 5 12.178 -4.311 -5.685 22 H IAS 6 H IAS 6 13.531 -5.818 -4.830 23 HA IAS 6 HA IAS 6 14.298 -8.173 -6.199 24 HB2 IAS 6 HB2 IAS 6 15.631 -7.419 -4.333 25 HB3 IAS 6 HB3 IAS 6 15.019 -9.037 -3.992 26 HXT IAS 6 HD2 IAS 6 12.441 -9.874 -6.827 27 H GLY 7 H GLY 7 13.105 -9.095 -2.545 28 HA2 GLY 7 HA2 GLY 7 13.020 -8.500 -0.138 29 HA3 GLY 7 HA3 GLY 7 13.121 -6.823 -0.654 30 H CYS 8 H CYS 8 11.298 -7.427 -2.958 31 HA CYS 8 HA CYS 8 8.857 -6.790 -1.617 32 HB2 CYS 8 HB2 CYS 8 9.663 -6.035 -3.958 33 HB3 CYS 8 HB3 CYS 8 9.044 -7.588 -4.510 34 H ALA 9 H ALA 9 7.603 -8.226 -0.643 35 HA ALA 9 HA ALA 9 7.815 -11.023 -1.014 36 HB1 ALA 9 HB1 ALA 9 5.728 -9.350 0.370 37 HB2 ALA 9 HB2 ALA 9 5.762 -11.113 0.409 38 HB3 ALA 9 HB3 ALA 9 7.094 -10.191 1.103 39 H LYS 10 H LYS 10 5.995 -12.449 -1.628 40 HA LYS 10 HA LYS 10 4.671 -11.402 -4.032 41 HB2 LYS 10 HB2 LYS 10 5.455 -14.188 -3.191 42 HB3 LYS 10 HB3 LYS 10 4.355 -13.891 -4.531 43 HG2 LYS 10 HG2 LYS 10 6.242 -12.364 -5.426 44 HG3 LYS 10 HG3 LYS 10 7.266 -13.263 -4.303 45 HD2 LYS 10 HD2 LYS 10 6.561 -15.364 -5.362 46 HD3 LYS 10 HD3 LYS 10 5.565 -14.449 -6.497 47 HE2 LYS 10 HE2 LYS 10 7.463 -13.458 -7.504 48 HE3 LYS 10 HE3 LYS 10 8.525 -14.001 -6.206 49 HZ1 LYS 10 HZ1 LYS 10 8.752 -16.014 -7.127 50 HZ2 LYS 10 HZ2 LYS 10 8.230 -15.264 -8.550 51 HZ3 LYS 10 HZ3 LYS 10 7.129 -16.119 -7.592 52 H DBB 11 H DBB 11 2.601 -12.954 -4.480 53 HA DBB 11 HA DBB 11 1.050 -13.810 -2.359 54 HB2 DBB 11 HB DBB 11 0.612 -14.279 -4.648 55 HG1 DBB 11 HG21 DBB 11 -1.090 -14.572 -2.944 56 HG2 DBB 11 HG22 DBB 11 -1.789 -14.280 -4.538 57 HG3 DBB 11 HG23 DBB 11 -1.750 -12.986 -3.339 58 H CYS 12 H CYS 12 -0.684 -12.886 -1.105 59 HA CYS 12 HA CYS 12 -1.323 -10.099 -1.381 60 HB2 CYS 12 HB2 CYS 12 -2.973 -11.853 -0.688 61 HB3 CYS 12 HB3 CYS 12 -2.112 -11.991 0.841 62 H ALA 13 H ALA 13 1.199 -9.821 -1.045 63 HA ALA 13 HA ALA 13 1.557 -9.052 1.775 64 HB1 ALA 13 HB1 ALA 13 2.889 -11.059 1.267 65 HB2 ALA 13 HB2 ALA 13 3.713 -10.168 -0.013 66 HB3 ALA 13 HB3 ALA 13 3.896 -9.667 1.668 67 H ALA 14 H ALA 14 2.302 -8.439 -1.581 68 HA ALA 14 HA ALA 14 2.237 -5.641 -1.373 69 HB1 ALA 14 HB1 ALA 14 4.830 -6.850 -0.911 70 HB2 ALA 14 HB2 ALA 14 4.781 -5.990 -2.446 71 H SER 15 H SER 15 3.332 -8.476 -3.171 72 HA SER 15 HA SER 15 3.234 -7.237 -5.730 73 HB2 SER 15 HB2 SER 15 4.579 -9.254 -5.305 74 HB3 SER 15 HB3 SER 15 3.106 -10.175 -5.002 75 HG SER 15 HG SER 15 4.250 -9.425 -7.375 76 H CYS 16 H CYS 16 1.198 -9.925 -4.582 77 HA CYS 16 HA CYS 16 -0.905 -9.200 -6.401 78 HB2 CYS 16 HB2 CYS 16 -1.111 -11.210 -4.163 79 HB3 CYS 16 HB3 CYS 16 -2.006 -11.174 -5.679 80 H ALA 17 H ALA 17 -3.024 -8.567 -5.851 81 HA ALA 17 HA ALA 17 -3.165 -7.043 -3.345 82 HB1 ALA 17 HB1 ALA 17 -5.339 -6.253 -4.787 83 HB2 ALA 17 HB2 ALA 17 -3.768 -5.451 -4.803 84 HB3 ALA 17 HB3 ALA 17 -4.174 -6.620 -6.060 85 H ALA 18 H ALA 18 -3.653 -8.917 -2.101 86 HA ALA 18 HA ALA 18 -5.772 -10.690 -2.464 87 HB1 ALA 18 HB1 ALA 18 -5.782 -10.142 0.267 88 HB2 ALA 18 HB2 ALA 18 -4.900 -11.423 -0.559 89 H SER 19 H SER 19 -7.715 -10.058 -3.112 90 HA SER 19 HA SER 19 -8.931 -7.602 -2.575 91 HB2 SER 19 HB2 SER 19 -9.494 -9.504 -4.319 92 HB3 SER 19 HB3 SER 19 -10.623 -10.021 -3.067 93 HG SER 19 HG SER 19 -11.661 -8.580 -4.431 Start of MODEL 2 1 H1 ALA 1 H ALA 1 0.922 2.687 0.126 2 HA ALA 1 HA ALA 1 0.759 0.182 -0.820 3 HB1 ALA 1 HB1 ALA 1 1.061 2.573 -2.003 4 HB2 ALA 1 HB2 ALA 1 2.627 1.853 -2.379 5 HB3 ALA 1 HB3 ALA 1 1.141 1.041 -2.874 6 H CYS 2 H CYS 2 2.443 -1.097 -2.091 7 HA CYS 2 HA CYS 2 4.658 -1.660 -0.284 8 HB2 CYS 2 HB2 CYS 2 2.959 -3.319 -1.601 9 HB3 CYS 2 HB3 CYS 2 4.321 -3.303 -2.716 10 H GLY 3 H GLY 3 6.723 -1.169 -0.691 11 HA2 GLY 3 HA2 GLY 3 7.503 0.607 -2.671 12 HA3 GLY 3 HA3 GLY 3 8.605 -0.437 -1.785 13 H DBB 4 H DBB 4 7.684 -2.938 -2.695 14 HA DBB 4 HA DBB 4 7.790 -2.819 -5.584 15 HB2 DBB 4 HB DBB 4 6.308 -4.312 -4.477 16 HG1 DBB 4 HG21 DBB 4 8.351 -5.894 -5.974 17 HG2 DBB 4 HG22 DBB 4 7.239 -4.753 -6.732 18 HG3 DBB 4 HG23 DBB 4 6.613 -6.179 -5.901 19 H GLY 5 H GLY 5 9.514 -3.406 -6.938 20 HA2 GLY 5 HA2 GLY 5 11.927 -3.221 -7.102 21 HA3 GLY 5 HA3 GLY 5 12.039 -4.027 -5.544 22 H IAS 6 H IAS 6 12.570 -6.142 -5.556 23 HA IAS 6 HA IAS 6 12.345 -7.554 -8.106 24 HB2 IAS 6 HB2 IAS 6 14.454 -7.871 -6.976 25 HB3 IAS 6 HB3 IAS 6 13.572 -9.398 -6.995 26 HXT IAS 6 HD2 IAS 6 9.993 -9.374 -8.080 27 H GLY 7 H GLY 7 12.187 -9.640 -4.905 28 HA2 GLY 7 HA2 GLY 7 13.195 -10.327 -2.715 29 HA3 GLY 7 HA3 GLY 7 13.762 -8.668 -2.600 30 H CYS 8 H CYS 8 11.170 -7.747 -3.835 31 HA CYS 8 HA CYS 8 9.830 -6.992 -1.542 32 HB2 CYS 8 HB2 CYS 8 9.563 -6.115 -3.939 33 HB3 CYS 8 HB3 CYS 8 8.414 -7.429 -4.166 34 H ALA 9 H ALA 9 7.710 -7.606 -0.737 35 HA ALA 9 HA ALA 9 7.515 -10.276 -0.018 36 HB1 ALA 9 HB1 ALA 9 6.290 -8.050 0.809 37 HB2 ALA 9 HB2 ALA 9 4.985 -8.750 -0.150 38 HB3 ALA 9 HB3 ALA 9 5.692 -9.668 1.180 39 H LYS 10 H LYS 10 6.003 -11.922 -0.592 40 HA LYS 10 HA LYS 10 5.202 -11.793 -3.422 41 HB2 LYS 10 HB2 LYS 10 6.881 -13.574 -2.402 42 HB3 LYS 10 HB3 LYS 10 5.386 -14.383 -1.950 43 HG2 LYS 10 HG2 LYS 10 4.754 -14.727 -4.155 44 HG3 LYS 10 HG3 LYS 10 5.829 -13.464 -4.762 45 HD2 LYS 10 HD2 LYS 10 7.716 -14.989 -3.827 46 HD3 LYS 10 HD3 LYS 10 6.482 -16.250 -3.880 47 HE2 LYS 10 HE2 LYS 10 7.106 -14.514 -6.253 48 HE3 LYS 10 HE3 LYS 10 7.993 -16.001 -5.921 49 HZ1 LYS 10 HZ1 LYS 10 5.272 -16.578 -5.736 50 HZ2 LYS 10 HZ2 LYS 10 6.374 -17.122 -6.898 51 HZ3 LYS 10 HZ3 LYS 10 5.496 -15.701 -7.166 52 H DBB 11 H DBB 11 3.316 -13.389 -3.893 53 HA DBB 11 HA DBB 11 1.449 -14.047 -1.965 54 HB2 DBB 11 HB DBB 11 1.449 -14.858 -4.200 55 HG1 DBB 11 HG21 DBB 11 -1.161 -13.550 -3.556 56 HG2 DBB 11 HG22 DBB 11 -0.536 -15.001 -2.772 57 HG3 DBB 11 HG23 DBB 11 -0.923 -15.023 -4.494 58 H CYS 12 H CYS 12 -0.507 -13.074 -1.162 59 HA CYS 12 HA CYS 12 -1.219 -10.411 -1.963 60 HB2 CYS 12 HB2 CYS 12 -2.877 -12.162 -1.280 61 HB3 CYS 12 HB3 CYS 12 -2.284 -12.010 0.371 62 H ALA 13 H ALA 13 1.192 -9.903 -1.275 63 HA ALA 13 HA ALA 13 1.032 -8.715 1.415 64 HB1 ALA 13 HB1 ALA 13 3.487 -9.090 1.624 65 HB2 ALA 13 HB2 ALA 13 2.530 -10.572 1.601 66 HB3 ALA 13 HB3 ALA 13 3.412 -10.069 0.159 67 H ALA 14 H ALA 14 2.297 -8.528 -1.835 68 HA ALA 14 HA ALA 14 2.045 -5.748 -2.082 69 HB1 ALA 14 HB1 ALA 14 4.677 -6.765 -1.196 70 HB2 ALA 14 HB2 ALA 14 4.675 -5.787 -2.660 71 H SER 15 H SER 15 3.610 -8.711 -3.194 72 HA SER 15 HA SER 15 3.922 -7.874 -5.892 73 HB2 SER 15 HB2 SER 15 4.084 -10.494 -4.451 74 HB3 SER 15 HB3 SER 15 4.025 -10.486 -6.213 75 HG SER 15 HG SER 15 5.999 -9.758 -6.266 76 H CYS 16 H CYS 16 1.818 -10.482 -4.680 77 HA CYS 16 HA CYS 16 0.062 -10.201 -6.943 78 HB2 CYS 16 HB2 CYS 16 -0.454 -11.866 -4.482 79 HB3 CYS 16 HB3 CYS 16 -1.069 -12.118 -6.113 80 H ALA 17 H ALA 17 -2.207 -9.763 -6.816 81 HA ALA 17 HA ALA 17 -2.853 -7.849 -4.679 82 HB1 ALA 17 HB1 ALA 17 -4.017 -8.134 -7.446 83 HB2 ALA 17 HB2 ALA 17 -4.534 -6.953 -6.242 84 HB3 ALA 17 HB3 ALA 17 -2.898 -6.886 -6.897 85 H ALA 18 H ALA 18 -3.450 -9.533 -3.233 86 HA ALA 18 HA ALA 18 -5.364 -11.519 -3.637 87 HB1 ALA 18 HB1 ALA 18 -5.887 -10.532 -1.078 88 HB2 ALA 18 HB2 ALA 18 -4.825 -11.867 -1.514 89 H SER 19 H SER 19 -6.015 -8.298 -2.217 90 HA SER 19 HA SER 19 -8.828 -8.562 -2.444 91 HB2 SER 19 HB2 SER 19 -7.002 -6.220 -1.934 92 HB3 SER 19 HB3 SER 19 -8.748 -6.015 -2.074 93 HG SER 19 HG SER 19 -7.611 -6.515 0.096 Start of MODEL 3 1 H1 ALA 1 H ALA 1 1.730 2.522 0.624 2 HA ALA 1 HA ALA 1 0.961 -0.304 0.776 3 HB1 ALA 1 HB1 ALA 1 -0.299 0.206 -0.977 4 HB2 ALA 1 HB2 ALA 1 0.409 1.820 -1.069 5 HB3 ALA 1 HB3 ALA 1 1.172 0.472 -1.913 6 H CYS 2 H CYS 2 2.090 -1.855 -0.597 7 HA CYS 2 HA CYS 2 4.859 -1.849 -0.174 8 HB2 CYS 2 HB2 CYS 2 3.397 -3.870 -0.540 9 HB3 CYS 2 HB3 CYS 2 3.392 -3.476 -2.256 10 H GLY 3 H GLY 3 6.613 -1.678 -1.627 11 HA2 GLY 3 HA2 GLY 3 6.111 0.240 -3.782 12 HA3 GLY 3 HA3 GLY 3 7.671 -0.116 -3.056 13 H DBB 4 H DBB 4 7.447 -2.985 -3.265 14 HA DBB 4 HA DBB 4 7.166 -3.427 -6.125 15 HB2 DBB 4 HB DBB 4 6.203 -4.964 -4.588 16 HG1 DBB 4 HG21 DBB 4 8.412 -6.212 -6.169 17 HG2 DBB 4 HG22 DBB 4 6.859 -5.676 -6.811 18 HG3 DBB 4 HG23 DBB 4 6.926 -7.009 -5.656 19 H GLY 5 H GLY 5 9.824 -3.931 -3.739 20 HA2 GLY 5 HA2 GLY 5 11.808 -2.795 -5.295 21 HA3 GLY 5 HA3 GLY 5 12.096 -4.018 -4.066 22 H IAS 6 H IAS 6 12.379 -6.206 -4.650 23 HA IAS 6 HA IAS 6 12.909 -6.561 -7.510 24 HB2 IAS 6 HB2 IAS 6 14.693 -7.349 -6.086 25 HB3 IAS 6 HB3 IAS 6 13.934 -8.726 -6.883 26 HXT IAS 6 HD2 IAS 6 11.018 -9.092 -8.400 27 H GLY 7 H GLY 7 14.031 -6.786 -3.922 28 HA2 GLY 7 HA2 GLY 7 13.870 -9.220 -2.319 29 HA3 GLY 7 HA3 GLY 7 14.317 -7.621 -1.741 30 H CYS 8 H CYS 8 11.512 -7.846 -3.718 31 HA CYS 8 HA CYS 8 9.858 -7.070 -1.460 32 HB2 CYS 8 HB2 CYS 8 9.889 -6.151 -3.968 33 HB3 CYS 8 HB3 CYS 8 8.699 -7.432 -4.178 34 H ALA 9 H ALA 9 7.818 -8.084 -1.000 35 HA ALA 9 HA ALA 9 8.003 -10.934 -0.949 36 HB1 ALA 9 HB1 ALA 9 5.652 -9.208 -0.185 37 HB2 ALA 9 HB2 ALA 9 5.952 -10.876 0.307 38 HB3 ALA 9 HB3 ALA 9 7.009 -9.584 0.878 39 H LYS 10 H LYS 10 6.148 -12.334 -1.624 40 HA LYS 10 HA LYS 10 5.204 -11.507 -4.287 41 HB2 LYS 10 HB2 LYS 10 5.067 -13.922 -4.801 42 HB3 LYS 10 HB3 LYS 10 6.699 -13.413 -4.387 43 HG2 LYS 10 HG2 LYS 10 6.730 -15.134 -2.984 44 HG3 LYS 10 HG3 LYS 10 5.645 -14.188 -1.963 45 HD2 LYS 10 HD2 LYS 10 4.504 -16.193 -2.187 46 HD3 LYS 10 HD3 LYS 10 3.773 -15.197 -3.447 47 HE2 LYS 10 HE2 LYS 10 4.186 -17.222 -4.520 48 HE3 LYS 10 HE3 LYS 10 5.555 -16.217 -4.995 49 HZ1 LYS 10 HZ1 LYS 10 5.753 -18.688 -3.952 50 HZ2 LYS 10 HZ2 LYS 10 5.978 -17.730 -2.576 51 HZ3 LYS 10 HZ3 LYS 10 6.987 -17.531 -3.919 52 H DBB 11 H DBB 11 3.219 -13.160 -4.851 53 HA DBB 11 HA DBB 11 1.424 -13.838 -2.860 54 HB2 DBB 11 HB DBB 11 1.285 -14.550 -5.124 55 HG1 DBB 11 HG21 DBB 11 -1.194 -13.196 -4.147 56 HG2 DBB 11 HG22 DBB 11 -0.622 -14.805 -3.703 57 HG3 DBB 11 HG23 DBB 11 -1.155 -14.480 -5.354 58 H CYS 12 H CYS 12 -0.491 -12.833 -1.966 59 HA CYS 12 HA CYS 12 -1.092 -10.097 -2.597 60 HB2 CYS 12 HB2 CYS 12 -2.199 -11.655 -0.267 61 HB3 CYS 12 HB3 CYS 12 -2.949 -10.324 -1.141 62 H ALA 13 H ALA 13 1.368 -9.775 -1.923 63 HA ALA 13 HA ALA 13 1.310 -8.729 0.830 64 HB1 ALA 13 HB1 ALA 13 3.771 -9.227 0.927 65 HB2 ALA 13 HB2 ALA 13 2.716 -10.641 0.927 66 HB3 ALA 13 HB3 ALA 13 3.563 -10.174 -0.547 67 H ALA 14 H ALA 14 2.516 -8.418 -2.432 68 HA ALA 14 HA ALA 14 2.439 -5.605 -2.470 69 HB1 ALA 14 HB1 ALA 14 4.921 -6.733 -1.555 70 HB2 ALA 14 HB2 ALA 14 5.101 -6.129 -3.199 71 H SER 15 H SER 15 3.711 -8.579 -3.890 72 HA SER 15 HA SER 15 3.889 -7.548 -6.541 73 HB2 SER 15 HB2 SER 15 5.219 -9.480 -5.842 74 HB3 SER 15 HB3 SER 15 3.747 -10.411 -5.563 75 HG SER 15 HG SER 15 4.453 -9.297 -8.073 76 H CYS 16 H CYS 16 1.806 -10.221 -5.457 77 HA CYS 16 HA CYS 16 -0.101 -9.691 -7.528 78 HB2 CYS 16 HB2 CYS 16 -0.540 -11.498 -5.156 79 HB3 CYS 16 HB3 CYS 16 -1.242 -11.623 -6.765 80 H ALA 17 H ALA 17 -2.359 -9.226 -7.189 81 HA ALA 17 HA ALA 17 -2.799 -7.493 -4.848 82 HB1 ALA 17 HB1 ALA 17 -4.223 -7.321 -7.496 83 HB2 ALA 17 HB2 ALA 17 -4.267 -6.158 -6.171 84 HB3 ALA 17 HB3 ALA 17 -2.782 -6.388 -7.093 85 H ALA 18 H ALA 18 -3.506 -9.278 -3.602 86 HA ALA 18 HA ALA 18 -5.910 -10.719 -4.366 87 HB1 ALA 18 HB1 ALA 18 -4.848 -10.716 -1.578 88 HB2 ALA 18 HB2 ALA 18 -5.615 -12.003 -2.503 89 H SER 19 H SER 19 -4.994 -8.180 -2.070 90 HA SER 19 HA SER 19 -7.849 -7.509 -1.814 91 HB2 SER 19 HB2 SER 19 -6.828 -8.638 0.242 92 HB3 SER 19 HB3 SER 19 -5.871 -7.171 0.440 93 HG SER 19 HG SER 19 -8.675 -7.481 0.569 Start of MODEL 4 1 H1 ALA 1 H ALA 1 2.571 1.208 1.855 2 HA ALA 1 HA ALA 1 0.976 -0.408 -0.018 3 HB1 ALA 1 HB1 ALA 1 0.764 1.240 -1.522 4 HB2 ALA 1 HB2 ALA 1 1.079 2.308 -0.154 5 HB3 ALA 1 HB3 ALA 1 2.395 1.848 -1.233 6 H CYS 2 H CYS 2 2.137 -1.477 -1.651 7 HA CYS 2 HA CYS 2 4.980 -1.838 -1.024 8 HB2 CYS 2 HB2 CYS 2 3.390 -3.812 -1.038 9 HB3 CYS 2 HB3 CYS 2 3.263 -3.593 -2.780 10 H GLY 3 H GLY 3 6.532 -2.002 -2.740 11 HA2 GLY 3 HA2 GLY 3 5.755 -0.394 -5.092 12 HA3 GLY 3 HA3 GLY 3 7.362 -0.399 -4.379 13 H DBB 4 H DBB 4 7.215 -3.377 -4.042 14 HA DBB 4 HA DBB 4 7.186 -4.241 -6.819 15 HB2 DBB 4 HB DBB 4 6.103 -5.555 -5.161 16 HG1 DBB 4 HG21 DBB 4 8.451 -6.920 -6.410 17 HG2 DBB 4 HG22 DBB 4 6.885 -6.611 -7.162 18 HG3 DBB 4 HG23 DBB 4 7.010 -7.738 -5.809 19 H GLY 5 H GLY 5 9.626 -4.364 -4.163 20 HA2 GLY 5 HA2 GLY 5 11.734 -3.411 -5.679 21 HA3 GLY 5 HA3 GLY 5 11.919 -4.452 -4.276 22 H IAS 6 H IAS 6 12.259 -6.696 -4.532 23 HA IAS 6 HA IAS 6 13.053 -7.420 -7.257 24 HB2 IAS 6 HB2 IAS 6 14.693 -7.993 -5.581 25 HB3 IAS 6 HB3 IAS 6 14.010 -9.473 -6.253 26 HXT IAS 6 HD2 IAS 6 12.289 -10.182 -7.589 27 H GLY 7 H GLY 7 13.862 -7.160 -3.579 28 HA2 GLY 7 HA2 GLY 7 13.494 -9.369 -1.699 29 HA3 GLY 7 HA3 GLY 7 13.963 -7.725 -1.291 30 H CYS 8 H CYS 8 11.277 -8.323 -3.416 31 HA CYS 8 HA CYS 8 9.495 -7.108 -1.453 32 HB2 CYS 8 HB2 CYS 8 9.726 -6.577 -4.048 33 HB3 CYS 8 HB3 CYS 8 8.558 -7.888 -4.176 34 H ALA 9 H ALA 9 7.664 -8.070 -0.642 35 HA ALA 9 HA ALA 9 7.697 -10.868 -0.301 36 HB1 ALA 9 HB1 ALA 9 5.277 -9.152 0.159 37 HB2 ALA 9 HB2 ALA 9 5.784 -10.602 1.027 38 HB3 ALA 9 HB3 ALA 9 6.679 -9.096 1.227 39 H LYS 10 H LYS 10 5.751 -12.271 -0.769 40 HA LYS 10 HA LYS 10 4.854 -11.797 -3.535 41 HB2 LYS 10 HB2 LYS 10 5.364 -14.402 -2.089 42 HB3 LYS 10 HB3 LYS 10 4.657 -14.281 -3.694 43 HG2 LYS 10 HG2 LYS 10 7.268 -12.952 -3.219 44 HG3 LYS 10 HG3 LYS 10 7.233 -14.713 -3.334 45 HD2 LYS 10 HD2 LYS 10 6.377 -14.658 -5.525 46 HD3 LYS 10 HD3 LYS 10 5.928 -12.955 -5.394 47 HE2 LYS 10 HE2 LYS 10 8.122 -12.231 -5.624 48 HE3 LYS 10 HE3 LYS 10 8.791 -13.788 -5.139 49 HZ1 LYS 10 HZ1 LYS 10 7.600 -13.032 -7.735 50 HZ2 LYS 10 HZ2 LYS 10 7.752 -14.653 -7.276 51 HZ3 LYS 10 HZ3 LYS 10 9.130 -13.684 -7.426 52 H DBB 11 H DBB 11 2.865 -13.542 -3.859 53 HA DBB 11 HA DBB 11 1.067 -13.894 -1.784 54 HB2 DBB 11 HB DBB 11 0.936 -14.970 -3.899 55 HG1 DBB 11 HG21 DBB 11 -1.559 -13.478 -3.201 56 HG2 DBB 11 HG22 DBB 11 -0.977 -14.961 -2.442 57 HG3 DBB 11 HG23 DBB 11 -1.492 -14.974 -4.130 58 H CYS 12 H CYS 12 -0.882 -12.767 -1.107 59 HA CYS 12 HA CYS 12 -1.452 -10.159 -2.168 60 HB2 CYS 12 HB2 CYS 12 -2.618 -11.357 0.343 61 HB3 CYS 12 HB3 CYS 12 -3.335 -10.147 -0.716 62 H ALA 13 H ALA 13 0.993 -9.741 -1.497 63 HA ALA 13 HA ALA 13 0.872 -8.254 1.041 64 HB1 ALA 13 HB1 ALA 13 3.273 -9.773 0.029 65 HB2 ALA 13 HB2 ALA 13 3.178 -8.829 1.517 66 HB3 ALA 13 HB3 ALA 13 2.212 -10.294 1.339 67 H ALA 14 H ALA 14 2.213 -8.544 -2.170 68 HA ALA 14 HA ALA 14 2.233 -5.767 -2.676 69 HB1 ALA 14 HB1 ALA 14 4.597 -6.699 -1.444 70 HB2 ALA 14 HB2 ALA 14 4.901 -6.665 -3.178 71 H SER 15 H SER 15 3.433 -8.971 -3.572 72 HA SER 15 HA SER 15 3.666 -8.393 -6.351 73 HB2 SER 15 HB2 SER 15 4.931 -10.222 -5.335 74 HB3 SER 15 HB3 SER 15 3.431 -11.050 -4.916 75 HG SER 15 HG SER 15 4.518 -10.573 -7.484 76 H CYS 16 H CYS 16 1.497 -10.806 -4.896 77 HA CYS 16 HA CYS 16 -0.374 -10.544 -7.051 78 HB2 CYS 16 HB2 CYS 16 -0.887 -11.974 -4.449 79 HB3 CYS 16 HB3 CYS 16 -1.566 -12.320 -6.036 80 H ALA 17 H ALA 17 -2.589 -9.922 -6.860 81 HA ALA 17 HA ALA 17 -3.021 -7.882 -4.779 82 HB1 ALA 17 HB1 ALA 17 -2.953 -6.966 -7.030 83 HB2 ALA 17 HB2 ALA 17 -4.229 -8.074 -7.536 84 HB3 ALA 17 HB3 ALA 17 -4.573 -6.816 -6.348 85 H ALA 18 H ALA 18 -3.801 -9.458 -3.311 86 HA ALA 18 HA ALA 18 -6.245 -10.912 -3.913 87 HB1 ALA 18 HB1 ALA 18 -5.238 -10.579 -1.129 88 HB2 ALA 18 HB2 ALA 18 -5.999 -11.962 -1.909 89 H SER 19 H SER 19 -5.260 -8.022 -2.164 90 HA SER 19 HA SER 19 -7.887 -7.542 -1.087 91 HB2 SER 19 HB2 SER 19 -6.276 -6.630 0.302 92 HB3 SER 19 HB3 SER 19 -5.264 -6.102 -1.042 93 HG SER 19 HG SER 19 -7.529 -4.883 0.074 Start of MODEL 5 1 H1 ALA 1 H ALA 1 2.233 0.466 -4.462 2 HA ALA 1 HA ALA 1 2.343 1.582 -2.107 3 HB1 ALA 1 HB1 ALA 1 1.093 -0.981 -2.904 4 HB2 ALA 1 HB2 ALA 1 1.125 -0.600 -1.182 5 HB3 ALA 1 HB3 ALA 1 0.355 0.509 -2.316 6 H CYS 2 H CYS 2 3.264 -1.865 -2.214 7 HA CYS 2 HA CYS 2 4.571 -1.785 0.297 8 HB2 CYS 2 HB2 CYS 2 5.222 -4.039 -0.138 9 HB3 CYS 2 HB3 CYS 2 3.613 -3.834 -0.822 10 H GLY 3 H GLY 3 5.584 -1.052 -2.927 11 HA2 GLY 3 HA2 GLY 3 7.580 0.413 -3.025 12 HA3 GLY 3 HA3 GLY 3 8.354 -0.736 -1.943 13 H DBB 4 H DBB 4 7.755 -3.150 -3.053 14 HA DBB 4 HA DBB 4 8.345 -3.030 -5.876 15 HB2 DBB 4 HB DBB 4 6.805 -4.615 -5.000 16 HG1 DBB 4 HG21 DBB 4 9.205 -5.933 -6.202 17 HG2 DBB 4 HG22 DBB 4 7.965 -5.040 -7.083 18 HG3 DBB 4 HG23 DBB 4 7.553 -6.545 -6.257 19 H GLY 5 H GLY 5 10.312 -3.398 -6.914 20 HA2 GLY 5 HA2 GLY 5 12.693 -3.099 -6.716 21 HA3 GLY 5 HA3 GLY 5 12.615 -3.875 -5.141 22 H IAS 6 H IAS 6 13.383 -5.909 -5.049 23 HA IAS 6 HA IAS 6 13.637 -7.382 -7.551 24 HB2 IAS 6 HB2 IAS 6 15.538 -7.537 -6.074 25 HB3 IAS 6 HB3 IAS 6 14.777 -9.121 -6.202 26 HXT IAS 6 HD2 IAS 6 13.260 -9.705 -7.381 27 H GLY 7 H GLY 7 13.073 -9.428 -4.370 28 HA2 GLY 7 HA2 GLY 7 13.789 -9.997 -2.017 29 HA3 GLY 7 HA3 GLY 7 14.126 -8.279 -1.861 30 H CYS 8 H CYS 8 11.719 -7.638 -3.515 31 HA CYS 8 HA CYS 8 9.915 -7.074 -1.505 32 HB2 CYS 8 HB2 CYS 8 10.013 -6.247 -3.965 33 HB3 CYS 8 HB3 CYS 8 8.976 -7.628 -4.305 34 H ALA 9 H ALA 9 7.756 -7.925 -1.107 35 HA ALA 9 HA ALA 9 7.808 -10.818 -0.925 36 HB1 ALA 9 HB1 ALA 9 5.756 -8.857 0.096 37 HB2 ALA 9 HB2 ALA 9 5.853 -10.572 0.498 38 HB3 ALA 9 HB3 ALA 9 7.133 -9.473 1.011 39 H LYS 10 H LYS 10 6.021 -12.155 -1.586 40 HA LYS 10 HA LYS 10 4.720 -11.135 -4.021 41 HB2 LYS 10 HB2 LYS 10 5.227 -14.009 -3.230 42 HB3 LYS 10 HB3 LYS 10 4.585 -13.445 -4.768 43 HG2 LYS 10 HG2 LYS 10 6.783 -12.166 -5.012 44 HG3 LYS 10 HG3 LYS 10 7.369 -13.178 -3.690 45 HD2 LYS 10 HD2 LYS 10 6.038 -14.494 -6.006 46 HD3 LYS 10 HD3 LYS 10 7.683 -13.890 -6.213 47 HE2 LYS 10 HE2 LYS 10 8.564 -15.375 -4.698 48 HE3 LYS 10 HE3 LYS 10 7.049 -15.532 -3.810 49 HZ1 LYS 10 HZ1 LYS 10 6.337 -17.173 -5.145 50 HZ2 LYS 10 HZ2 LYS 10 7.980 -17.378 -5.488 51 HZ3 LYS 10 HZ3 LYS 10 7.000 -16.494 -6.546 52 H DBB 11 H DBB 11 2.739 -12.957 -4.394 53 HA DBB 11 HA DBB 11 1.216 -13.618 -2.165 54 HB2 DBB 11 HB DBB 11 0.886 -14.501 -4.347 55 HG1 DBB 11 HG21 DBB 11 -0.836 -14.654 -2.648 56 HG2 DBB 11 HG22 DBB 11 -1.513 -14.685 -4.277 57 HG3 DBB 11 HG23 DBB 11 -1.610 -13.214 -3.307 58 H CYS 12 H CYS 12 -0.688 -12.658 -1.173 59 HA CYS 12 HA CYS 12 -1.481 -9.998 -1.907 60 HB2 CYS 12 HB2 CYS 12 -2.299 -11.443 0.607 61 HB3 CYS 12 HB3 CYS 12 -3.194 -10.220 -0.289 62 H ALA 13 H ALA 13 1.010 -9.523 -1.478 63 HA ALA 13 HA ALA 13 1.116 -8.252 1.174 64 HB1 ALA 13 HB1 ALA 13 2.549 -10.142 1.367 65 HB2 ALA 13 HB2 ALA 13 3.316 -9.795 -0.184 66 HB3 ALA 13 HB3 ALA 13 3.578 -8.720 1.190 67 H ALA 14 H ALA 14 2.127 -8.254 -2.167 68 HA ALA 14 HA ALA 14 2.046 -5.437 -2.429 69 HB1 ALA 14 HB1 ALA 14 4.492 -6.248 -1.474 70 HB2 ALA 14 HB2 ALA 14 4.670 -6.441 -3.215 71 H SER 15 H SER 15 3.278 -8.481 -3.784 72 HA SER 15 HA SER 15 3.098 -7.663 -6.491 73 HB2 SER 15 HB2 SER 15 4.528 -9.525 -5.844 74 HB3 SER 15 HB3 SER 15 3.129 -10.437 -5.277 75 HG SER 15 HG SER 15 2.968 -11.141 -7.239 76 H CYS 16 H CYS 16 1.178 -10.250 -4.979 77 HA CYS 16 HA CYS 16 -0.961 -9.848 -6.857 78 HB2 CYS 16 HB2 CYS 16 -1.112 -11.566 -4.389 79 HB3 CYS 16 HB3 CYS 16 -1.951 -11.776 -5.922 80 H ALA 17 H ALA 17 -3.168 -9.395 -6.275 81 HA ALA 17 HA ALA 17 -3.368 -7.610 -3.937 82 HB1 ALA 17 HB1 ALA 17 -3.914 -6.087 -5.481 83 HB2 ALA 17 HB2 ALA 17 -4.211 -7.311 -6.716 84 HB3 ALA 17 HB3 ALA 17 -5.470 -6.915 -5.546 85 H ALA 18 H ALA 18 -3.947 -9.364 -2.593 86 HA ALA 18 HA ALA 18 -6.432 -10.797 -3.091 87 HB1 ALA 18 HB1 ALA 18 -5.174 -10.881 -0.417 88 HB2 ALA 18 HB2 ALA 18 -5.863 -12.169 -1.399 89 H SER 19 H SER 19 -8.260 -9.735 -2.834 90 HA SER 19 HA SER 19 -8.457 -7.479 -1.038 91 HB2 SER 19 HB2 SER 19 -10.590 -7.070 -2.028 92 HB3 SER 19 HB3 SER 19 -9.528 -7.586 -3.338 93 HG SER 19 HG SER 19 -11.467 -8.699 -3.491 Start of MODEL 6 1 H1 ALA 1 H ALA 1 3.776 2.874 -1.562 2 HA ALA 1 HA ALA 1 2.896 0.785 0.304 3 HB1 ALA 1 HB1 ALA 1 0.844 1.203 -0.645 4 HB2 ALA 1 HB2 ALA 1 1.535 1.656 -2.203 5 HB3 ALA 1 HB3 ALA 1 1.472 -0.041 -1.726 6 H CYS 2 H CYS 2 2.885 -1.411 -1.036 7 HA CYS 2 HA CYS 2 5.578 -1.932 -1.690 8 HB2 CYS 2 HB2 CYS 2 3.502 -3.486 -0.950 9 HB3 CYS 2 HB3 CYS 2 3.512 -3.813 -2.680 10 H GLY 3 H GLY 3 6.344 -2.879 -3.748 11 HA2 GLY 3 HA2 GLY 3 4.973 -2.542 -6.184 12 HA3 GLY 3 HA3 GLY 3 5.964 -1.120 -5.894 13 H DBB 4 H DBB 4 6.357 -4.659 -5.561 14 HA DBB 4 HA DBB 4 8.226 -4.925 -7.585 15 HB2 DBB 4 HB DBB 4 7.070 -6.726 -6.550 16 HG1 DBB 4 HG21 DBB 4 10.025 -7.129 -6.348 17 HG2 DBB 4 HG22 DBB 4 9.115 -7.074 -7.858 18 HG3 DBB 4 HG23 DBB 4 8.812 -8.361 -6.689 19 H GLY 5 H GLY 5 9.058 -4.578 -4.088 20 HA2 GLY 5 HA2 GLY 5 11.070 -2.722 -4.436 21 HA3 GLY 5 HA3 GLY 5 11.013 -3.872 -3.108 22 H IAS 6 H IAS 6 12.237 -5.811 -3.195 23 HA IAS 6 HA IAS 6 14.357 -5.703 -5.219 24 HB2 IAS 6 HB2 IAS 6 15.191 -5.966 -2.968 25 HB3 IAS 6 HB3 IAS 6 15.502 -7.442 -3.880 26 HXT IAS 6 HD2 IAS 6 12.653 -7.775 -7.201 27 H GLY 7 H GLY 7 13.376 -5.845 -1.554 28 HA2 GLY 7 HA2 GLY 7 13.002 -8.419 -0.184 29 HA3 GLY 7 HA3 GLY 7 12.816 -6.833 0.549 30 H CYS 8 H CYS 8 11.451 -7.921 -2.521 31 HA CYS 8 HA CYS 8 8.806 -7.169 -1.572 32 HB2 CYS 8 HB2 CYS 8 9.857 -6.612 -3.891 33 HB3 CYS 8 HB3 CYS 8 9.382 -8.254 -4.311 34 H ALA 9 H ALA 9 7.160 -8.542 -1.165 35 HA ALA 9 HA ALA 9 7.795 -11.380 -1.047 36 HB1 ALA 9 HB1 ALA 9 5.635 -9.673 0.129 37 HB2 ALA 9 HB2 ALA 9 5.482 -11.430 0.095 38 HB3 ALA 9 HB3 ALA 9 6.832 -10.678 0.946 39 H LYS 10 H LYS 10 5.639 -12.768 -1.426 40 HA LYS 10 HA LYS 10 4.726 -12.094 -4.145 41 HB2 LYS 10 HB2 LYS 10 6.203 -14.228 -3.561 42 HB3 LYS 10 HB3 LYS 10 4.632 -14.900 -3.145 43 HG2 LYS 10 HG2 LYS 10 3.847 -14.743 -5.327 44 HG3 LYS 10 HG3 LYS 10 5.080 -13.566 -5.786 45 HD2 LYS 10 HD2 LYS 10 5.889 -16.312 -4.922 46 HD3 LYS 10 HD3 LYS 10 5.294 -16.046 -6.562 47 HE2 LYS 10 HE2 LYS 10 7.604 -14.600 -5.269 48 HE3 LYS 10 HE3 LYS 10 7.739 -15.909 -6.442 49 HZ1 LYS 10 HZ1 LYS 10 7.951 -14.052 -7.753 50 HZ2 LYS 10 HZ2 LYS 10 6.850 -13.136 -6.854 51 HZ3 LYS 10 HZ3 LYS 10 6.292 -14.351 -7.890 52 H DBB 11 H DBB 11 2.598 -13.261 -4.701 53 HA DBB 11 HA DBB 11 0.815 -13.962 -2.658 54 HB2 DBB 11 HB DBB 11 0.567 -14.590 -4.937 55 HG1 DBB 11 HG21 DBB 11 -1.815 -14.456 -5.069 56 HG2 DBB 11 HG22 DBB 11 -1.828 -13.058 -3.992 57 HG3 DBB 11 HG23 DBB 11 -1.317 -14.636 -3.387 58 H CYS 12 H CYS 12 -0.866 -12.842 -1.553 59 HA CYS 12 HA CYS 12 -1.407 -10.085 -2.147 60 HB2 CYS 12 HB2 CYS 12 -2.325 -11.563 0.314 61 HB3 CYS 12 HB3 CYS 12 -3.112 -10.221 -0.511 62 H ALA 13 H ALA 13 1.121 -9.865 -1.744 63 HA ALA 13 HA ALA 13 1.404 -8.796 0.986 64 HB1 ALA 13 HB1 ALA 13 3.559 -10.188 -0.600 65 HB2 ALA 13 HB2 ALA 13 3.743 -9.469 1.001 66 HB3 ALA 13 HB3 ALA 13 2.692 -10.868 0.778 67 H ALA 14 H ALA 14 2.274 -8.568 -2.388 68 HA ALA 14 HA ALA 14 2.299 -5.761 -2.474 69 HB1 ALA 14 HB1 ALA 14 4.860 -7.055 -1.903 70 HB2 ALA 14 HB2 ALA 14 4.831 -6.200 -3.442 71 H SER 15 H SER 15 3.604 -8.701 -3.997 72 HA SER 15 HA SER 15 3.518 -7.753 -6.643 73 HB2 SER 15 HB2 SER 15 3.603 -10.166 -7.274 74 HB3 SER 15 HB3 SER 15 4.817 -9.721 -6.076 75 HG SER 15 HG SER 15 3.429 -10.583 -4.471 76 H CYS 16 H CYS 16 1.329 -10.160 -5.174 77 HA CYS 16 HA CYS 16 -0.687 -9.580 -7.172 78 HB2 CYS 16 HB2 CYS 16 -1.045 -11.411 -4.810 79 HB3 CYS 16 HB3 CYS 16 -1.823 -11.489 -6.388 80 H ALA 17 H ALA 17 -2.926 -9.122 -6.566 81 HA ALA 17 HA ALA 17 -3.075 -7.412 -4.168 82 HB1 ALA 17 HB1 ALA 17 -4.662 -6.011 -5.347 83 HB2 ALA 17 HB2 ALA 17 -3.169 -6.147 -6.276 84 HB3 ALA 17 HB3 ALA 17 -4.591 -7.074 -6.753 85 H ALA 18 H ALA 18 -3.783 -9.193 -2.929 86 HA ALA 18 HA ALA 18 -6.256 -10.556 -3.560 87 HB1 ALA 18 HB1 ALA 18 -5.050 -10.500 -0.821 88 HB2 ALA 18 HB2 ALA 18 -5.955 -11.772 -1.634 89 H SER 19 H SER 19 -5.225 -7.992 -1.339 90 HA SER 19 HA SER 19 -8.020 -7.134 -1.146 91 HB2 SER 19 HB2 SER 19 -6.199 -7.833 1.135 92 HB3 SER 19 HB3 SER 19 -7.435 -6.592 1.345 93 HG SER 19 HG SER 19 -7.976 -8.905 1.830 Start of MODEL 7 1 H1 ALA 1 H ALA 1 0.556 -1.240 0.691 2 HA ALA 1 HA ALA 1 1.336 -3.957 -0.047 3 HB1 ALA 1 HB1 ALA 1 0.314 -1.903 -1.996 4 HB2 ALA 1 HB2 ALA 1 1.242 -3.325 -2.475 5 HB3 ALA 1 HB3 ALA 1 -0.325 -3.519 -1.690 6 H CYS 2 H CYS 2 3.205 -3.769 -1.754 7 HA CYS 2 HA CYS 2 5.084 -1.774 -0.692 8 HB2 CYS 2 HB2 CYS 2 5.833 -4.249 -2.240 9 HB3 CYS 2 HB3 CYS 2 6.851 -3.273 -1.186 10 H GLY 3 H GLY 3 4.341 -3.465 -3.747 11 HA2 GLY 3 HA2 GLY 3 3.880 -2.204 -5.756 12 HA3 GLY 3 HA3 GLY 3 4.960 -0.952 -5.159 13 H DBB 4 H DBB 4 6.121 -4.111 -4.652 14 HA DBB 4 HA DBB 4 7.476 -4.178 -7.222 15 HB2 DBB 4 HB DBB 4 6.478 -6.153 -6.354 16 HG1 DBB 4 HG21 DBB 4 8.386 -7.681 -6.692 17 HG2 DBB 4 HG22 DBB 4 9.456 -6.280 -6.623 18 HG3 DBB 4 HG23 DBB 4 8.247 -6.408 -7.902 19 H GLY 5 H GLY 5 9.733 -3.983 -7.572 20 HA2 GLY 5 HA2 GLY 5 11.562 -2.520 -6.883 21 HA3 GLY 5 HA3 GLY 5 11.247 -3.018 -5.227 22 H IAS 6 H IAS 6 11.268 -5.637 -5.074 23 HA IAS 6 HA IAS 6 13.401 -6.654 -6.783 24 HB2 IAS 6 HB2 IAS 6 14.676 -5.936 -4.863 25 HB3 IAS 6 HB3 IAS 6 14.608 -7.698 -4.889 26 HXT IAS 6 HD2 IAS 6 10.596 -8.205 -6.989 27 H GLY 7 H GLY 7 13.750 -8.700 -3.114 28 HA2 GLY 7 HA2 GLY 7 13.179 -8.927 -0.897 29 HA3 GLY 7 HA3 GLY 7 13.501 -7.210 -0.706 30 H CYS 8 H CYS 8 11.289 -7.799 -3.179 31 HA CYS 8 HA CYS 8 9.137 -6.712 -1.572 32 HB2 CYS 8 HB2 CYS 8 9.408 -5.773 -3.766 33 HB3 CYS 8 HB3 CYS 8 9.365 -7.368 -4.512 34 H ALA 9 H ALA 9 7.681 -7.910 -0.558 35 HA ALA 9 HA ALA 9 7.611 -10.662 -0.477 36 HB1 ALA 9 HB1 ALA 9 5.137 -9.011 -0.076 37 HB2 ALA 9 HB2 ALA 9 5.627 -10.488 0.756 38 HB3 ALA 9 HB3 ALA 9 6.479 -8.975 1.069 39 H LYS 10 H LYS 10 5.820 -12.119 -1.158 40 HA LYS 10 HA LYS 10 5.038 -11.519 -3.933 41 HB2 LYS 10 HB2 LYS 10 6.569 -13.562 -3.192 42 HB3 LYS 10 HB3 LYS 10 5.007 -14.306 -2.872 43 HG2 LYS 10 HG2 LYS 10 4.383 -14.262 -5.102 44 HG3 LYS 10 HG3 LYS 10 5.553 -13.003 -5.507 45 HD2 LYS 10 HD2 LYS 10 6.549 -14.887 -6.402 46 HD3 LYS 10 HD3 LYS 10 7.312 -14.794 -4.813 47 HE2 LYS 10 HE2 LYS 10 5.685 -16.421 -3.954 48 HE3 LYS 10 HE3 LYS 10 4.955 -16.525 -5.555 49 HZ1 LYS 10 HZ1 LYS 10 7.776 -16.970 -5.623 50 HZ2 LYS 10 HZ2 LYS 10 6.521 -17.929 -6.228 51 HZ3 LYS 10 HZ3 LYS 10 6.992 -18.075 -4.609 52 H DBB 11 H DBB 11 3.029 -12.863 -4.610 53 HA DBB 11 HA DBB 11 1.119 -13.655 -2.773 54 HB2 DBB 11 HB DBB 11 1.050 -14.123 -5.103 55 HG1 DBB 11 HG21 DBB 11 -1.420 -12.746 -4.131 56 HG2 DBB 11 HG22 DBB 11 -0.930 -14.399 -3.759 57 HG3 DBB 11 HG23 DBB 11 -1.360 -13.955 -5.413 58 H CYS 12 H CYS 12 -0.824 -12.652 -1.902 59 HA CYS 12 HA CYS 12 -1.236 -9.831 -2.242 60 HB2 CYS 12 HB2 CYS 12 -2.575 -11.576 -0.180 61 HB3 CYS 12 HB3 CYS 12 -3.194 -10.111 -0.935 62 H ALA 13 H ALA 13 1.190 -9.744 -1.387 63 HA ALA 13 HA ALA 13 1.000 -8.995 1.455 64 HB1 ALA 13 HB1 ALA 13 2.265 -11.039 1.353 65 HB2 ALA 13 HB2 ALA 13 3.311 -10.375 0.096 66 HB3 ALA 13 HB3 ALA 13 3.358 -9.706 1.727 67 H ALA 14 H ALA 14 2.445 -8.427 -1.670 68 HA ALA 14 HA ALA 14 2.553 -5.629 -1.404 69 HB1 ALA 14 HB1 ALA 14 4.949 -7.100 -0.606 70 HB2 ALA 14 HB2 ALA 14 5.194 -6.086 -2.025 71 H SER 15 H SER 15 3.715 -8.524 -3.059 72 HA SER 15 HA SER 15 4.150 -7.236 -5.565 73 HB2 SER 15 HB2 SER 15 5.346 -9.260 -5.178 74 HB3 SER 15 HB3 SER 15 3.871 -10.135 -4.765 75 HG SER 15 HG SER 15 4.680 -10.525 -6.925 76 H CYS 16 H CYS 16 1.832 -9.856 -4.930 77 HA CYS 16 HA CYS 16 0.114 -8.975 -7.041 78 HB2 CYS 16 HB2 CYS 16 -0.599 -10.978 -4.902 79 HB3 CYS 16 HB3 CYS 16 -1.217 -10.879 -6.547 80 H ALA 17 H ALA 17 -2.179 -8.477 -6.756 81 HA ALA 17 HA ALA 17 -2.647 -6.918 -4.297 82 HB1 ALA 17 HB1 ALA 17 -4.096 -5.464 -5.637 83 HB2 ALA 17 HB2 ALA 17 -2.445 -5.497 -6.259 84 HB3 ALA 17 HB3 ALA 17 -3.713 -6.414 -7.073 85 H ALA 18 H ALA 18 -3.535 -8.765 -3.280 86 HA ALA 18 HA ALA 18 -5.983 -9.944 -4.321 87 HB1 ALA 18 HB1 ALA 18 -5.089 -10.354 -1.509 88 HB2 ALA 18 HB2 ALA 18 -5.853 -11.469 -2.638 89 H SER 19 H SER 19 -4.999 -7.682 -1.796 90 HA SER 19 HA SER 19 -7.662 -7.367 -0.765 91 HB2 SER 19 HB2 SER 19 -5.204 -5.657 -0.314 92 HB3 SER 19 HB3 SER 19 -6.691 -5.605 0.633 93 HG SER 19 HG SER 19 -6.260 -7.858 1.130 Start of MODEL 8 1 H1 ALA 1 H ALA 1 -0.096 0.439 0.081 2 HA ALA 1 HA ALA 1 1.068 0.139 -2.529 3 HB1 ALA 1 HB1 ALA 1 2.510 1.826 -0.622 4 HB2 ALA 1 HB2 ALA 1 1.859 2.211 -2.216 5 HB3 ALA 1 HB3 ALA 1 0.804 2.236 -0.802 6 H CYS 2 H CYS 2 3.242 -0.370 -3.001 7 HA CYS 2 HA CYS 2 4.935 -1.456 -0.920 8 HB2 CYS 2 HB2 CYS 2 3.315 -3.298 -1.695 9 HB3 CYS 2 HB3 CYS 2 4.216 -3.279 -3.208 10 H GLY 3 H GLY 3 7.019 -1.094 -1.380 11 HA2 GLY 3 HA2 GLY 3 7.825 0.427 -3.569 12 HA3 GLY 3 HA3 GLY 3 8.908 -0.495 -2.537 13 H DBB 4 H DBB 4 7.464 -3.023 -3.286 14 HA DBB 4 HA DBB 4 7.564 -3.441 -6.026 15 HB2 DBB 4 HB DBB 4 6.563 -4.921 -4.459 16 HG1 DBB 4 HG21 DBB 4 8.644 -6.307 -6.099 17 HG2 DBB 4 HG22 DBB 4 7.119 -5.661 -6.707 18 HG3 DBB 4 HG23 DBB 4 7.116 -6.998 -5.555 19 H GLY 5 H GLY 5 10.265 -4.093 -3.726 20 HA2 GLY 5 HA2 GLY 5 12.259 -3.077 -5.348 21 HA3 GLY 5 HA3 GLY 5 12.516 -4.313 -4.126 22 H IAS 6 H IAS 6 12.646 -6.516 -4.713 23 HA IAS 6 HA IAS 6 13.061 -6.901 -7.588 24 HB2 IAS 6 HB2 IAS 6 14.846 -7.787 -6.224 25 HB3 IAS 6 HB3 IAS 6 13.986 -9.120 -6.992 26 HXT IAS 6 HD2 IAS 6 10.322 -7.738 -8.445 27 H GLY 7 H GLY 7 14.293 -7.190 -4.040 28 HA2 GLY 7 HA2 GLY 7 14.065 -9.609 -2.426 29 HA3 GLY 7 HA3 GLY 7 14.594 -8.030 -1.866 30 H CYS 8 H CYS 8 11.744 -8.053 -3.757 31 HA CYS 8 HA CYS 8 10.186 -7.242 -1.450 32 HB2 CYS 8 HB2 CYS 8 10.192 -6.316 -3.960 33 HB3 CYS 8 HB3 CYS 8 8.929 -7.531 -4.132 34 H ALA 9 H ALA 9 7.903 -8.083 -1.269 35 HA ALA 9 HA ALA 9 8.008 -10.994 -1.237 36 HB1 ALA 9 HB1 ALA 9 6.081 -9.029 -0.012 37 HB2 ALA 9 HB2 ALA 9 5.914 -10.781 0.108 38 HB3 ALA 9 HB3 ALA 9 7.318 -9.979 0.812 39 H LYS 10 H LYS 10 6.289 -12.305 -2.045 40 HA LYS 10 HA LYS 10 4.982 -11.119 -4.395 41 HB2 LYS 10 HB2 LYS 10 4.787 -13.440 -5.218 42 HB3 LYS 10 HB3 LYS 10 6.456 -12.974 -4.919 43 HG2 LYS 10 HG2 LYS 10 6.665 -14.370 -3.105 44 HG3 LYS 10 HG3 LYS 10 4.929 -14.390 -2.785 45 HD2 LYS 10 HD2 LYS 10 4.521 -16.004 -4.356 46 HD3 LYS 10 HD3 LYS 10 5.899 -15.536 -5.354 47 HE2 LYS 10 HE2 LYS 10 6.182 -16.847 -2.659 48 HE3 LYS 10 HE3 LYS 10 6.095 -17.756 -4.167 49 HZ1 LYS 10 HZ1 LYS 10 8.293 -17.500 -4.220 50 HZ2 LYS 10 HZ2 LYS 10 8.288 -16.282 -3.046 51 HZ3 LYS 10 HZ3 LYS 10 8.000 -15.895 -4.668 52 H DBB 11 H DBB 11 2.961 -12.778 -4.934 53 HA DBB 11 HA DBB 11 1.415 -13.664 -2.801 54 HB2 DBB 11 HB DBB 11 1.062 -14.259 -5.075 55 HG1 DBB 11 HG21 DBB 11 -1.414 -13.020 -3.950 56 HG2 DBB 11 HG22 DBB 11 -0.684 -14.512 -3.356 57 HG3 DBB 11 HG23 DBB 11 -1.314 -14.431 -5.003 58 H CYS 12 H CYS 12 -0.447 -12.777 -1.679 59 HA CYS 12 HA CYS 12 -1.162 -10.022 -2.080 60 HB2 CYS 12 HB2 CYS 12 -2.032 -11.730 0.243 61 HB3 CYS 12 HB3 CYS 12 -2.892 -10.394 -0.516 62 H ALA 13 H ALA 13 1.347 -9.692 -1.595 63 HA ALA 13 HA ALA 13 1.495 -8.800 1.208 64 HB1 ALA 13 HB1 ALA 13 2.890 -10.801 0.880 65 HB2 ALA 13 HB2 ALA 13 3.787 -9.952 -0.380 66 HB3 ALA 13 HB3 ALA 13 3.846 -9.376 1.286 67 H ALA 14 H ALA 14 2.447 -8.309 -2.114 68 HA ALA 14 HA ALA 14 2.358 -5.496 -1.991 69 HB1 ALA 14 HB1 ALA 14 4.878 -6.594 -1.271 70 HB2 ALA 14 HB2 ALA 14 4.970 -6.078 -2.952 71 H SER 15 H SER 15 3.506 -8.379 -3.680 72 HA SER 15 HA SER 15 3.453 -7.203 -6.274 73 HB2 SER 15 HB2 SER 15 4.842 -9.156 -5.828 74 HB3 SER 15 HB3 SER 15 3.415 -10.110 -5.427 75 HG SER 15 HG SER 15 4.207 -10.404 -7.603 76 H CYS 16 H CYS 16 1.476 -9.951 -5.184 77 HA CYS 16 HA CYS 16 -0.604 -9.306 -7.042 78 HB2 CYS 16 HB2 CYS 16 -0.824 -11.259 -4.756 79 HB3 CYS 16 HB3 CYS 16 -1.679 -11.285 -6.295 80 H ALA 17 H ALA 17 -2.888 -9.057 -6.377 81 HA ALA 17 HA ALA 17 -3.105 -7.408 -3.942 82 HB1 ALA 17 HB1 ALA 17 -3.690 -5.767 -5.334 83 HB2 ALA 17 HB2 ALA 17 -3.887 -6.877 -6.691 84 HB3 ALA 17 HB3 ALA 17 -5.208 -6.640 -5.547 85 H ALA 18 H ALA 18 -3.681 -9.258 -2.737 86 HA ALA 18 HA ALA 18 -6.162 -10.655 -3.364 87 HB1 ALA 18 HB1 ALA 18 -4.866 -10.972 -0.718 88 HB2 ALA 18 HB2 ALA 18 -5.601 -12.166 -1.783 89 H SER 19 H SER 19 -7.989 -9.624 -3.000 90 HA SER 19 HA SER 19 -8.335 -7.355 -1.437 91 HB2 SER 19 HB2 SER 19 -10.831 -8.106 -1.490 92 HB3 SER 19 HB3 SER 19 -10.025 -7.716 -3.009 93 HG SER 19 HG SER 19 -11.068 -9.657 -3.283 Start of MODEL 9 1 H1 ALA 1 H ALA 1 1.861 1.315 2.913 2 HA ALA 1 HA ALA 1 1.385 -0.507 0.876 3 HB1 ALA 1 HB1 ALA 1 2.634 2.226 0.848 4 HB2 ALA 1 HB2 ALA 1 2.337 1.307 -0.629 5 HB3 ALA 1 HB3 ALA 1 0.988 1.764 0.412 6 H CYS 2 H CYS 2 2.713 -1.417 -0.740 7 HA CYS 2 HA CYS 2 5.390 -2.085 0.218 8 HB2 CYS 2 HB2 CYS 2 3.519 -3.726 -0.706 9 HB3 CYS 2 HB3 CYS 2 4.236 -3.293 -2.255 10 H GLY 3 H GLY 3 7.225 -2.044 -1.209 11 HA2 GLY 3 HA2 GLY 3 7.150 0.286 -2.969 12 HA3 GLY 3 HA3 GLY 3 8.592 -0.521 -2.372 13 H DBB 4 H DBB 4 7.208 -3.146 -3.205 14 HA DBB 4 HA DBB 4 6.842 -3.133 -5.960 15 HB2 DBB 4 HB DBB 4 6.213 -4.912 -4.514 16 HG1 DBB 4 HG21 DBB 4 8.069 -6.012 -6.573 17 HG2 DBB 4 HG22 DBB 4 6.570 -5.174 -6.976 18 HG3 DBB 4 HG23 DBB 4 6.523 -6.669 -6.040 19 H GLY 5 H GLY 5 9.930 -3.922 -4.269 20 HA2 GLY 5 HA2 GLY 5 11.513 -2.517 -6.102 21 HA3 GLY 5 HA3 GLY 5 12.094 -3.772 -5.017 22 H IAS 6 H IAS 6 12.666 -5.760 -5.820 23 HA IAS 6 HA IAS 6 12.501 -6.044 -8.713 24 HB2 IAS 6 HB2 IAS 6 14.600 -6.712 -7.726 25 HB3 IAS 6 HB3 IAS 6 13.801 -8.130 -8.402 26 HXT IAS 6 HD2 IAS 6 11.015 -8.828 -9.289 27 H GLY 7 H GLY 7 12.398 -9.273 -6.657 28 HA2 GLY 7 HA2 GLY 7 13.084 -10.786 -4.904 29 HA3 GLY 7 HA3 GLY 7 14.044 -9.483 -4.220 30 H CYS 8 H CYS 8 11.334 -7.968 -5.101 31 HA CYS 8 HA CYS 8 10.392 -7.460 -2.556 32 HB2 CYS 8 HB2 CYS 8 9.850 -6.327 -4.846 33 HB3 CYS 8 HB3 CYS 8 8.505 -7.463 -4.889 34 H ALA 9 H ALA 9 8.282 -8.022 -1.601 35 HA ALA 9 HA ALA 9 8.018 -10.748 -1.139 36 HB1 ALA 9 HB1 ALA 9 7.083 -8.665 0.142 37 HB2 ALA 9 HB2 ALA 9 5.643 -8.972 -0.830 38 HB3 ALA 9 HB3 ALA 9 6.263 -10.223 0.247 39 H LYS 10 H LYS 10 6.200 -12.172 -1.620 40 HA LYS 10 HA LYS 10 5.167 -11.725 -4.343 41 HB2 LYS 10 HB2 LYS 10 4.944 -14.308 -4.285 42 HB3 LYS 10 HB3 LYS 10 6.534 -13.598 -4.531 43 HG2 LYS 10 HG2 LYS 10 6.737 -15.402 -2.981 44 HG3 LYS 10 HG3 LYS 10 6.980 -13.887 -2.107 45 HD2 LYS 10 HD2 LYS 10 4.984 -14.061 -0.979 46 HD3 LYS 10 HD3 LYS 10 4.240 -15.056 -2.233 47 HE2 LYS 10 HE2 LYS 10 5.530 -16.967 -1.556 48 HE3 LYS 10 HE3 LYS 10 6.457 -15.991 -0.417 49 HZ1 LYS 10 HZ1 LYS 10 4.914 -16.975 0.943 50 HZ2 LYS 10 HZ2 LYS 10 3.683 -16.941 -0.216 51 HZ3 LYS 10 HZ3 LYS 10 4.128 -15.519 0.585 52 H DBB 11 H DBB 11 3.124 -13.143 -4.743 53 HA DBB 11 HA DBB 11 1.428 -13.862 -2.682 54 HB2 DBB 11 HB DBB 11 1.128 -14.449 -4.966 55 HG1 DBB 11 HG21 DBB 11 -1.282 -14.363 -5.032 56 HG2 DBB 11 HG22 DBB 11 -1.278 -13.056 -3.846 57 HG3 DBB 11 HG23 DBB 11 -0.697 -14.661 -3.396 58 H CYS 12 H CYS 12 -0.345 -12.845 -1.574 59 HA CYS 12 HA CYS 12 -0.935 -10.074 -2.049 60 HB2 CYS 12 HB2 CYS 12 -2.640 -11.772 -1.342 61 HB3 CYS 12 HB3 CYS 12 -1.865 -11.820 0.238 62 H ALA 13 H ALA 13 1.571 -9.804 -1.593 63 HA ALA 13 HA ALA 13 1.788 -8.877 1.194 64 HB1 ALA 13 HB1 ALA 13 3.166 -10.801 1.101 65 HB2 ALA 13 HB2 ALA 13 3.866 -10.311 -0.443 66 HB3 ALA 13 HB3 ALA 13 4.246 -9.408 1.023 67 H ALA 14 H ALA 14 2.712 -8.453 -2.148 68 HA ALA 14 HA ALA 14 2.649 -5.649 -2.105 69 HB1 ALA 14 HB1 ALA 14 5.269 -6.922 -1.619 70 HB2 ALA 14 HB2 ALA 14 5.192 -5.830 -2.997 71 H SER 15 H SER 15 3.844 -8.582 -3.667 72 HA SER 15 HA SER 15 3.911 -7.497 -6.294 73 HB2 SER 15 HB2 SER 15 4.098 -10.226 -5.103 74 HB3 SER 15 HB3 SER 15 3.733 -10.099 -6.824 75 HG SER 15 HG SER 15 5.971 -10.195 -6.489 76 H CYS 16 H CYS 16 1.773 -10.084 -5.099 77 HA CYS 16 HA CYS 16 -0.204 -9.460 -7.093 78 HB2 CYS 16 HB2 CYS 16 -0.567 -11.331 -4.756 79 HB3 CYS 16 HB3 CYS 16 -1.370 -11.379 -6.322 80 H ALA 17 H ALA 17 -2.375 -8.834 -6.686 81 HA ALA 17 HA ALA 17 -2.641 -7.138 -4.301 82 HB1 ALA 17 HB1 ALA 17 -3.146 -5.641 -5.890 83 HB2 ALA 17 HB2 ALA 17 -3.496 -6.886 -7.091 84 HB3 ALA 17 HB3 ALA 17 -4.723 -6.432 -5.908 85 H ALA 18 H ALA 18 -3.211 -8.924 -2.969 86 HA ALA 18 HA ALA 18 -5.309 -10.720 -3.341 87 HB1 ALA 18 HB1 ALA 18 -5.479 -9.978 -0.656 88 HB2 ALA 18 HB2 ALA 18 -4.570 -11.323 -1.337 89 H SER 19 H SER 19 -7.209 -10.137 -4.145 90 HA SER 19 HA SER 19 -8.449 -7.624 -3.552 91 HB2 SER 19 HB2 SER 19 -10.000 -9.848 -4.799 92 HB3 SER 19 HB3 SER 19 -9.948 -8.137 -5.223 93 HG SER 19 HG SER 19 -8.147 -10.193 -5.892 Start of MODEL 10 1 H1 ALA 1 H ALA 1 5.639 0.953 3.288 2 HA ALA 1 HA ALA 1 3.830 0.804 1.157 3 HB1 ALA 1 HB1 ALA 1 4.742 2.845 1.047 4 HB2 ALA 1 HB2 ALA 1 6.254 2.315 1.785 5 HB3 ALA 1 HB3 ALA 1 5.983 2.073 0.060 6 H CYS 2 H CYS 2 3.648 -0.679 -0.377 7 HA CYS 2 HA CYS 2 6.078 -2.090 -1.268 8 HB2 CYS 2 HB2 CYS 2 3.722 -3.165 -0.165 9 HB3 CYS 2 HB3 CYS 2 3.659 -3.533 -1.886 10 H GLY 3 H GLY 3 6.178 -2.697 -3.499 11 HA2 GLY 3 HA2 GLY 3 4.269 -2.018 -5.436 12 HA3 GLY 3 HA3 GLY 3 5.373 -0.661 -5.268 13 H DBB 4 H DBB 4 5.961 -4.172 -5.133 14 HA DBB 4 HA DBB 4 7.055 -4.362 -7.698 15 HB2 DBB 4 HB DBB 4 6.308 -6.213 -6.409 16 HG1 DBB 4 HG21 DBB 4 8.411 -7.688 -6.826 17 HG2 DBB 4 HG22 DBB 4 9.029 -6.210 -7.565 18 HG3 DBB 4 HG23 DBB 4 7.539 -6.942 -8.165 19 H GLY 5 H GLY 5 8.821 -3.803 -4.613 20 HA2 GLY 5 HA2 GLY 5 10.670 -2.055 -5.721 21 HA3 GLY 5 HA3 GLY 5 10.935 -2.983 -4.252 22 H IAS 6 H IAS 6 11.776 -5.231 -4.482 23 HA IAS 6 HA IAS 6 13.548 -5.353 -6.826 24 HB2 IAS 6 HB2 IAS 6 14.782 -5.572 -4.772 25 HB3 IAS 6 HB3 IAS 6 14.786 -7.127 -5.602 26 HXT IAS 6 HD2 IAS 6 11.892 -6.828 -8.557 27 H GLY 7 H GLY 7 13.930 -8.858 -4.515 28 HA2 GLY 7 HA2 GLY 7 13.180 -10.109 -2.743 29 HA3 GLY 7 HA3 GLY 7 13.751 -8.795 -1.725 30 H CYS 8 H CYS 8 11.388 -8.002 -4.087 31 HA CYS 8 HA CYS 8 9.569 -6.916 -2.321 32 HB2 CYS 8 HB2 CYS 8 9.689 -6.705 -4.883 33 HB3 CYS 8 HB3 CYS 8 8.710 -8.168 -4.921 34 H ALA 9 H ALA 9 7.576 -7.597 -1.475 35 HA ALA 9 HA ALA 9 7.529 -10.238 -0.474 36 HB1 ALA 9 HB1 ALA 9 5.006 -8.697 -0.488 37 HB2 ALA 9 HB2 ALA 9 5.814 -9.544 0.832 38 HB3 ALA 9 HB3 ALA 9 6.386 -7.956 0.322 39 H LYS 10 H LYS 10 6.319 -12.013 -1.021 40 HA LYS 10 HA LYS 10 5.211 -11.998 -3.726 41 HB2 LYS 10 HB2 LYS 10 6.882 -13.761 -2.535 42 HB3 LYS 10 HB3 LYS 10 5.336 -14.528 -2.197 43 HG2 LYS 10 HG2 LYS 10 5.607 -13.641 -4.961 44 HG3 LYS 10 HG3 LYS 10 6.810 -14.839 -4.479 45 HD2 LYS 10 HD2 LYS 10 4.650 -15.993 -3.429 46 HD3 LYS 10 HD3 LYS 10 3.863 -15.088 -4.724 47 HE2 LYS 10 HE2 LYS 10 4.347 -17.044 -5.815 48 HE3 LYS 10 HE3 LYS 10 5.798 -16.110 -6.176 49 HZ1 LYS 10 HZ1 LYS 10 5.805 -18.576 -5.129 50 HZ2 LYS 10 HZ2 LYS 10 5.918 -17.639 -3.726 51 HZ3 LYS 10 HZ3 LYS 10 7.070 -17.466 -4.952 52 H DBB 11 H DBB 11 3.199 -13.211 -4.144 53 HA DBB 11 HA DBB 11 1.424 -13.983 -2.162 54 HB2 DBB 11 HB DBB 11 1.223 -14.540 -4.464 55 HG1 DBB 11 HG21 DBB 11 -0.669 -14.583 -2.827 56 HG2 DBB 11 HG22 DBB 11 -1.110 -14.677 -4.532 57 HG3 DBB 11 HG23 DBB 11 -1.296 -13.158 -3.653 58 H CYS 12 H CYS 12 -0.573 -12.973 -1.324 59 HA CYS 12 HA CYS 12 -1.138 -10.234 -1.731 60 HB2 CYS 12 HB2 CYS 12 -2.795 -11.948 -0.978 61 HB3 CYS 12 HB3 CYS 12 -2.001 -11.966 0.593 62 H ALA 13 H ALA 13 0.516 -8.861 -1.271 63 HA ALA 13 HA ALA 13 0.915 -8.045 1.386 64 HB1 ALA 13 HB1 ALA 13 2.256 -9.877 1.863 65 HB2 ALA 13 HB2 ALA 13 2.992 -9.883 0.260 66 HB3 ALA 13 HB3 ALA 13 3.428 -8.634 1.426 67 H ALA 14 H ALA 14 2.234 -8.204 -1.851 68 HA ALA 14 HA ALA 14 2.316 -5.386 -2.181 69 HB1 ALA 14 HB1 ALA 14 4.857 -6.893 -1.693 70 HB2 ALA 14 HB2 ALA 14 4.795 -5.669 -2.956 71 H SER 15 H SER 15 3.977 -8.263 -3.513 72 HA SER 15 HA SER 15 3.818 -7.533 -6.185 73 HB2 SER 15 HB2 SER 15 4.073 -9.974 -6.668 74 HB3 SER 15 HB3 SER 15 5.231 -9.368 -5.484 75 HG SER 15 HG SER 15 4.091 -10.343 -3.870 76 H CYS 16 H CYS 16 1.736 -9.970 -4.614 77 HA CYS 16 HA CYS 16 -0.250 -9.632 -6.705 78 HB2 CYS 16 HB2 CYS 16 -0.490 -11.409 -4.281 79 HB3 CYS 16 HB3 CYS 16 -1.296 -11.576 -5.838 80 H ALA 17 H ALA 17 -2.419 -9.046 -6.333 81 HA ALA 17 HA ALA 17 -2.779 -7.328 -3.975 82 HB1 ALA 17 HB1 ALA 17 -4.839 -6.687 -5.640 83 HB2 ALA 17 HB2 ALA 17 -3.286 -5.852 -5.583 84 HB3 ALA 17 HB3 ALA 17 -3.567 -7.111 -6.786 85 H ALA 18 H ALA 18 -3.349 -9.096 -2.633 86 HA ALA 18 HA ALA 18 -5.375 -10.963 -3.039 87 HB1 ALA 18 HB1 ALA 18 -5.645 -10.132 -0.372 88 HB2 ALA 18 HB2 ALA 18 -4.737 -11.508 -0.989 89 H SER 19 H SER 19 -7.266 -10.463 -3.916 90 HA SER 19 HA SER 19 -8.735 -8.130 -2.888 91 HB2 SER 19 HB2 SER 19 -8.127 -8.452 -5.416 92 HB3 SER 19 HB3 SER 19 -9.494 -9.566 -5.410 93 HG SER 19 HG SER 19 -10.790 -7.920 -5.369 Start of MODEL 11 1 H1 ALA 1 H ALA 1 0.942 -0.503 1.737 2 HA ALA 1 HA ALA 1 1.162 0.251 -1.077 3 HB1 ALA 1 HB1 ALA 1 1.540 2.073 1.191 4 HB2 ALA 1 HB2 ALA 1 2.852 2.077 0.011 5 HB3 ALA 1 HB3 ALA 1 1.201 2.421 -0.505 6 H CYS 2 H CYS 2 2.770 -0.851 -1.970 7 HA CYS 2 HA CYS 2 4.986 -1.747 -0.246 8 HB2 CYS 2 HB2 CYS 2 3.352 -3.473 -1.304 9 HB3 CYS 2 HB3 CYS 2 4.221 -3.134 -2.798 10 H GLY 3 H GLY 3 7.085 -1.591 -1.012 11 HA2 GLY 3 HA2 GLY 3 7.594 0.534 -2.836 12 HA3 GLY 3 HA3 GLY 3 8.800 -0.512 -2.101 13 H DBB 4 H DBB 4 8.003 -2.993 -3.065 14 HA DBB 4 HA DBB 4 7.807 -2.726 -5.944 15 HB2 DBB 4 HB DBB 4 6.533 -4.368 -4.789 16 HG1 DBB 4 HG21 DBB 4 7.501 -6.399 -6.190 17 HG2 DBB 4 HG22 DBB 4 8.430 -5.084 -6.911 18 HG3 DBB 4 HG23 DBB 4 6.666 -5.031 -6.924 19 H GLY 5 H GLY 5 10.214 -4.349 -3.794 20 HA2 GLY 5 HA2 GLY 5 12.462 -3.228 -4.924 21 HA3 GLY 5 HA3 GLY 5 12.434 -4.814 -4.169 22 H IAS 6 H IAS 6 12.191 -6.714 -5.461 23 HA IAS 6 HA IAS 6 12.864 -6.216 -8.274 24 HB2 IAS 6 HB2 IAS 6 14.342 -7.802 -7.210 25 HB3 IAS 6 HB3 IAS 6 13.367 -8.637 -8.418 26 HXT IAS 6 HD2 IAS 6 11.492 -7.686 -10.030 27 H GLY 7 H GLY 7 13.874 -7.964 -5.003 28 HA2 GLY 7 HA2 GLY 7 12.733 -10.596 -4.350 29 HA3 GLY 7 HA3 GLY 7 13.895 -9.715 -3.369 30 H CYS 8 H CYS 8 10.924 -8.460 -4.814 31 HA CYS 8 HA CYS 8 10.107 -7.366 -2.285 32 HB2 CYS 8 HB2 CYS 8 9.757 -6.334 -4.615 33 HB3 CYS 8 HB3 CYS 8 8.416 -7.464 -4.776 34 H ALA 9 H ALA 9 8.023 -7.758 -1.296 35 HA ALA 9 HA ALA 9 7.529 -10.421 -0.707 36 HB1 ALA 9 HB1 ALA 9 5.244 -8.547 -0.499 37 HB2 ALA 9 HB2 ALA 9 5.908 -9.666 0.692 38 HB3 ALA 9 HB3 ALA 9 6.716 -8.130 0.379 39 H LYS 10 H LYS 10 6.549 -12.019 -1.753 40 HA LYS 10 HA LYS 10 5.168 -11.460 -4.246 41 HB2 LYS 10 HB2 LYS 10 5.142 -13.951 -4.469 42 HB3 LYS 10 HB3 LYS 10 6.751 -13.261 -4.306 43 HG2 LYS 10 HG2 LYS 10 6.995 -14.044 -2.120 44 HG3 LYS 10 HG3 LYS 10 5.263 -14.332 -1.936 45 HD2 LYS 10 HD2 LYS 10 5.363 -16.172 -3.499 46 HD3 LYS 10 HD3 LYS 10 7.064 -15.839 -3.832 47 HE2 LYS 10 HE2 LYS 10 7.650 -16.394 -1.549 48 HE3 LYS 10 HE3 LYS 10 5.951 -16.624 -1.140 49 HZ1 LYS 10 HZ1 LYS 10 7.687 -18.313 -2.824 50 HZ2 LYS 10 HZ2 LYS 10 6.005 -18.374 -2.990 51 HZ3 LYS 10 HZ3 LYS 10 6.723 -18.761 -1.508 52 H DBB 11 H DBB 11 3.162 -12.845 -4.707 53 HA DBB 11 HA DBB 11 1.527 -13.673 -2.582 54 HB2 DBB 11 HB DBB 11 1.290 -14.416 -4.827 55 HG1 DBB 11 HG21 DBB 11 -0.527 -14.566 -3.192 56 HG2 DBB 11 HG22 DBB 11 -1.086 -14.593 -4.865 57 HG3 DBB 11 HG23 DBB 11 -1.246 -13.122 -3.904 58 H CYS 12 H CYS 12 -0.419 -12.722 -1.651 59 HA CYS 12 HA CYS 12 -1.086 -9.994 -2.253 60 HB2 CYS 12 HB2 CYS 12 -2.110 -11.563 0.106 61 HB3 CYS 12 HB3 CYS 12 -2.911 -10.267 -0.776 62 H ALA 13 H ALA 13 1.384 -9.631 -1.635 63 HA ALA 13 HA ALA 13 1.361 -8.568 1.111 64 HB1 ALA 13 HB1 ALA 13 3.576 -10.070 -0.262 65 HB2 ALA 13 HB2 ALA 13 3.839 -9.064 1.163 66 HB3 ALA 13 HB3 ALA 13 2.768 -10.462 1.256 67 H ALA 14 H ALA 14 2.539 -8.307 -2.164 68 HA ALA 14 HA ALA 14 2.485 -5.487 -2.220 69 HB1 ALA 14 HB1 ALA 14 5.012 -6.719 -1.471 70 HB2 ALA 14 HB2 ALA 14 5.089 -5.938 -3.047 71 H SER 15 H SER 15 3.678 -8.484 -3.664 72 HA SER 15 HA SER 15 3.776 -7.465 -6.325 73 HB2 SER 15 HB2 SER 15 3.869 -10.226 -5.132 74 HB3 SER 15 HB3 SER 15 3.785 -9.998 -6.879 75 HG SER 15 HG SER 15 5.655 -8.458 -6.380 76 H CYS 16 H CYS 16 1.728 -10.140 -5.190 77 HA CYS 16 HA CYS 16 -0.248 -9.597 -7.188 78 HB2 CYS 16 HB2 CYS 16 -0.604 -11.407 -4.802 79 HB3 CYS 16 HB3 CYS 16 -1.376 -11.523 -6.380 80 H ALA 17 H ALA 17 -2.545 -9.252 -6.694 81 HA ALA 17 HA ALA 17 -2.886 -7.477 -4.365 82 HB1 ALA 17 HB1 ALA 17 -3.512 -7.107 -7.183 83 HB2 ALA 17 HB2 ALA 17 -4.882 -6.777 -6.123 84 HB3 ALA 17 HB3 ALA 17 -3.360 -5.918 -5.889 85 H ALA 18 H ALA 18 -3.551 -9.252 -3.093 86 HA ALA 18 HA ALA 18 -6.017 -10.651 -3.780 87 HB1 ALA 18 HB1 ALA 18 -4.879 -10.858 -1.056 88 HB2 ALA 18 HB2 ALA 18 -5.553 -12.094 -2.113 89 H SER 19 H SER 19 -7.842 -9.574 -3.565 90 HA SER 19 HA SER 19 -8.197 -7.240 -2.061 91 HB2 SER 19 HB2 SER 19 -10.646 -7.634 -2.450 92 HB3 SER 19 HB3 SER 19 -9.665 -7.714 -3.914 93 HG SER 19 HG SER 19 -10.259 -10.041 -2.440 Start of MODEL 12 1 H1 ALA 1 H ALA 1 0.705 0.990 0.435 2 HA ALA 1 HA ALA 1 1.840 1.424 -1.883 3 HB1 ALA 1 HB1 ALA 1 3.289 2.460 0.539 4 HB2 ALA 1 HB2 ALA 1 3.067 3.245 -1.025 5 HB3 ALA 1 HB3 ALA 1 1.693 3.043 0.063 6 H CYS 2 H CYS 2 2.570 -1.256 -1.205 7 HA CYS 2 HA CYS 2 5.231 -1.679 -0.580 8 HB2 CYS 2 HB2 CYS 2 3.260 -3.343 -1.117 9 HB3 CYS 2 HB3 CYS 2 3.958 -3.320 -2.734 10 H GLY 3 H GLY 3 7.098 -1.200 -1.534 11 HA2 GLY 3 HA2 GLY 3 7.218 0.314 -3.917 12 HA3 GLY 3 HA3 GLY 3 8.592 -0.397 -3.083 13 H DBB 4 H DBB 4 7.129 -3.088 -3.386 14 HA DBB 4 HA DBB 4 6.898 -3.653 -6.108 15 HB2 DBB 4 HB DBB 4 6.051 -5.028 -4.363 16 HG1 DBB 4 HG21 DBB 4 7.908 -6.378 -6.270 17 HG2 DBB 4 HG22 DBB 4 6.202 -5.993 -6.507 18 HG3 DBB 4 HG23 DBB 4 6.676 -7.233 -5.344 19 H GLY 5 H GLY 5 9.812 -4.233 -4.062 20 HA2 GLY 5 HA2 GLY 5 11.644 -3.324 -5.921 21 HA3 GLY 5 HA3 GLY 5 12.008 -4.510 -4.677 22 H IAS 6 H IAS 6 12.040 -6.741 -5.173 23 HA IAS 6 HA IAS 6 12.168 -7.257 -8.055 24 HB2 IAS 6 HB2 IAS 6 14.059 -8.127 -6.832 25 HB3 IAS 6 HB3 IAS 6 13.100 -9.471 -7.448 26 HXT IAS 6 HD2 IAS 6 10.193 -9.980 -6.215 27 H GLY 7 H GLY 7 13.760 -7.425 -4.638 28 HA2 GLY 7 HA2 GLY 7 13.582 -9.767 -2.897 29 HA3 GLY 7 HA3 GLY 7 14.283 -8.211 -2.477 30 H CYS 8 H CYS 8 11.173 -8.351 -4.009 31 HA CYS 8 HA CYS 8 9.969 -7.211 -1.614 32 HB2 CYS 8 HB2 CYS 8 9.698 -6.453 -4.149 33 HB3 CYS 8 HB3 CYS 8 8.406 -7.649 -4.116 34 H ALA 9 H ALA 9 7.698 -7.918 -1.080 35 HA ALA 9 HA ALA 9 7.711 -10.708 -0.499 36 HB1 ALA 9 HB1 ALA 9 5.475 -8.711 -0.167 37 HB2 ALA 9 HB2 ALA 9 5.578 -10.302 0.588 38 HB3 ALA 9 HB3 ALA 9 6.736 -9.044 1.020 39 H LYS 10 H LYS 10 6.143 -12.275 -1.136 40 HA LYS 10 HA LYS 10 5.096 -11.798 -3.845 41 HB2 LYS 10 HB2 LYS 10 6.079 -14.270 -2.448 42 HB3 LYS 10 HB3 LYS 10 5.019 -14.391 -3.846 43 HG2 LYS 10 HG2 LYS 10 6.753 -12.852 -4.993 44 HG3 LYS 10 HG3 LYS 10 7.820 -13.364 -3.683 45 HD2 LYS 10 HD2 LYS 10 6.311 -15.428 -5.221 46 HD3 LYS 10 HD3 LYS 10 7.742 -14.691 -5.946 47 HE2 LYS 10 HE2 LYS 10 8.890 -15.260 -3.707 48 HE3 LYS 10 HE3 LYS 10 7.525 -16.346 -3.454 49 HZ1 LYS 10 HZ1 LYS 10 8.264 -17.774 -5.001 50 HZ2 LYS 10 HZ2 LYS 10 9.764 -17.046 -4.717 51 HZ3 LYS 10 HZ3 LYS 10 8.825 -16.559 -6.037 52 H DBB 11 H DBB 11 3.033 -12.742 -4.411 53 HA DBB 11 HA DBB 11 1.358 -13.760 -2.332 54 HB2 DBB 11 HB DBB 11 1.190 -14.482 -4.591 55 HG1 DBB 11 HG21 DBB 11 -0.668 -14.776 -3.128 56 HG2 DBB 11 HG22 DBB 11 -1.251 -14.490 -4.768 57 HG3 DBB 11 HG23 DBB 11 -1.313 -13.196 -3.569 58 H CYS 12 H CYS 12 -0.524 -12.800 -1.356 59 HA CYS 12 HA CYS 12 -1.252 -10.097 -2.000 60 HB2 CYS 12 HB2 CYS 12 -2.197 -11.630 0.414 61 HB3 CYS 12 HB3 CYS 12 -3.041 -10.370 -0.481 62 H ALA 13 H ALA 13 1.226 -9.682 -1.443 63 HA ALA 13 HA ALA 13 1.242 -8.557 1.277 64 HB1 ALA 13 HB1 ALA 13 3.564 -9.900 -0.102 65 HB2 ALA 13 HB2 ALA 13 3.635 -9.071 1.453 66 HB3 ALA 13 HB3 ALA 13 2.660 -10.530 1.275 67 H ALA 14 H ALA 14 2.356 -8.357 -2.025 68 HA ALA 14 HA ALA 14 2.272 -5.533 -2.128 69 HB1 ALA 14 HB1 ALA 14 4.852 -6.792 -1.533 70 HB2 ALA 14 HB2 ALA 14 4.822 -5.901 -3.051 71 H SER 15 H SER 15 3.661 -8.451 -3.621 72 HA SER 15 HA SER 15 3.561 -7.491 -6.273 73 HB2 SER 15 HB2 SER 15 3.767 -9.914 -6.894 74 HB3 SER 15 HB3 SER 15 4.981 -9.365 -5.740 75 HG SER 15 HG SER 15 3.776 -10.325 -4.088 76 H CYS 16 H CYS 16 1.567 -10.124 -4.938 77 HA CYS 16 HA CYS 16 -0.484 -9.632 -6.903 78 HB2 CYS 16 HB2 CYS 16 -0.750 -11.497 -4.557 79 HB3 CYS 16 HB3 CYS 16 -1.491 -11.621 -6.149 80 H ALA 17 H ALA 17 -2.709 -9.205 -6.393 81 HA ALA 17 HA ALA 17 -3.018 -7.587 -3.948 82 HB1 ALA 17 HB1 ALA 17 -3.679 -7.061 -6.730 83 HB2 ALA 17 HB2 ALA 17 -5.041 -6.795 -5.641 84 HB3 ALA 17 HB3 ALA 17 -3.518 -5.946 -5.373 85 H ALA 18 H ALA 18 -3.675 -9.416 -2.756 86 HA ALA 18 HA ALA 18 -6.110 -10.829 -3.483 87 HB1 ALA 18 HB1 ALA 18 -5.019 -11.006 -0.733 88 HB2 ALA 18 HB2 ALA 18 -5.666 -12.256 -1.791 89 H SER 19 H SER 19 -7.973 -9.815 -3.303 90 HA SER 19 HA SER 19 -8.413 -8.068 -0.969 91 HB2 SER 19 HB2 SER 19 -9.822 -6.653 -2.321 92 HB3 SER 19 HB3 SER 19 -8.289 -6.860 -3.168 93 HG SER 19 HG SER 19 -9.327 -7.767 -4.746 Start of MODEL 13 1 H1 ALA 1 H ALA 1 0.070 -0.808 0.151 2 HA ALA 1 HA ALA 1 0.927 -1.591 -2.559 3 HB1 ALA 1 HB1 ALA 1 -0.150 0.879 -1.735 4 HB2 ALA 1 HB2 ALA 1 1.567 1.144 -2.039 5 HB3 ALA 1 HB3 ALA 1 0.543 0.463 -3.303 6 H CYS 2 H CYS 2 2.941 -2.315 -2.613 7 HA CYS 2 HA CYS 2 4.772 -1.596 -0.437 8 HB2 CYS 2 HB2 CYS 2 5.998 -3.573 -0.949 9 HB3 CYS 2 HB3 CYS 2 4.296 -4.021 -0.973 10 H GLY 3 H GLY 3 7.202 -2.091 -1.587 11 HA2 GLY 3 HA2 GLY 3 7.421 0.187 -3.431 12 HA3 GLY 3 HA3 GLY 3 8.722 -0.461 -2.443 13 H DBB 4 H DBB 4 8.319 -3.218 -3.117 14 HA DBB 4 HA DBB 4 8.771 -3.197 -6.008 15 HB2 DBB 4 HB DBB 4 7.113 -4.669 -5.150 16 HG1 DBB 4 HG21 DBB 4 9.479 -6.085 -6.303 17 HG2 DBB 4 HG22 DBB 4 8.222 -5.227 -7.196 18 HG3 DBB 4 HG23 DBB 4 7.829 -6.705 -6.314 19 H GLY 5 H GLY 5 10.751 -3.640 -6.972 20 HA2 GLY 5 HA2 GLY 5 13.133 -3.517 -6.731 21 HA3 GLY 5 HA3 GLY 5 12.972 -4.240 -5.137 22 H IAS 6 H IAS 6 13.574 -6.326 -4.958 23 HA IAS 6 HA IAS 6 13.806 -7.878 -7.417 24 HB2 IAS 6 HB2 IAS 6 15.665 -8.123 -5.912 25 HB3 IAS 6 HB3 IAS 6 14.791 -9.652 -5.976 26 HXT IAS 6 HD2 IAS 6 12.124 -10.645 -6.515 27 H GLY 7 H GLY 7 13.040 -9.731 -4.156 28 HA2 GLY 7 HA2 GLY 7 13.712 -10.237 -1.766 29 HA3 GLY 7 HA3 GLY 7 14.140 -8.535 -1.690 30 H CYS 8 H CYS 8 11.767 -7.910 -3.442 31 HA CYS 8 HA CYS 8 9.982 -7.095 -1.505 32 HB2 CYS 8 HB2 CYS 8 10.121 -6.496 -4.027 33 HB3 CYS 8 HB3 CYS 8 9.029 -7.859 -4.250 34 H ALA 9 H ALA 9 7.769 -7.811 -1.076 35 HA ALA 9 HA ALA 9 7.702 -10.672 -0.610 36 HB1 ALA 9 HB1 ALA 9 5.757 -8.511 0.191 37 HB2 ALA 9 HB2 ALA 9 5.700 -10.194 0.717 38 HB3 ALA 9 HB3 ALA 9 7.054 -9.167 1.189 39 H LYS 10 H LYS 10 5.977 -12.040 -1.249 40 HA LYS 10 HA LYS 10 4.693 -11.180 -3.751 41 HB2 LYS 10 HB2 LYS 10 5.208 -13.981 -2.732 42 HB3 LYS 10 HB3 LYS 10 4.509 -13.563 -4.291 43 HG2 LYS 10 HG2 LYS 10 6.719 -12.245 -4.637 44 HG3 LYS 10 HG3 LYS 10 7.325 -13.284 -3.346 45 HD2 LYS 10 HD2 LYS 10 7.845 -14.329 -5.432 46 HD3 LYS 10 HD3 LYS 10 6.545 -15.254 -4.676 47 HE2 LYS 10 HE2 LYS 10 4.914 -14.277 -6.116 48 HE3 LYS 10 HE3 LYS 10 6.078 -13.107 -6.737 49 HZ1 LYS 10 HZ1 LYS 10 7.357 -15.104 -7.567 50 HZ2 LYS 10 HZ2 LYS 10 5.908 -14.757 -8.369 51 HZ3 LYS 10 HZ3 LYS 10 5.971 -16.020 -7.245 52 H DBB 11 H DBB 11 2.686 -12.976 -4.023 53 HA DBB 11 HA DBB 11 1.126 -13.524 -1.811 54 HB2 DBB 11 HB DBB 11 0.763 -14.401 -3.991 55 HG1 DBB 11 HG21 DBB 11 -1.639 -14.474 -3.936 56 HG2 DBB 11 HG22 DBB 11 -1.680 -13.015 -2.946 57 HG3 DBB 11 HG23 DBB 11 -0.976 -14.500 -2.303 58 H CYS 12 H CYS 12 -0.509 -12.451 -0.623 59 HA CYS 12 HA CYS 12 -1.411 -9.842 -1.432 60 HB2 CYS 12 HB2 CYS 12 -2.873 -11.532 -0.298 61 HB3 CYS 12 HB3 CYS 12 -1.936 -11.286 1.172 62 H ALA 13 H ALA 13 1.117 -9.356 -1.299 63 HA ALA 13 HA ALA 13 1.480 -7.888 1.222 64 HB1 ALA 13 HB1 ALA 13 2.864 -9.875 1.369 65 HB2 ALA 13 HB2 ALA 13 3.610 -9.496 -0.184 66 HB3 ALA 13 HB3 ALA 13 3.874 -8.439 1.203 67 H ALA 14 H ALA 14 2.215 -8.211 -2.175 68 HA ALA 14 HA ALA 14 2.113 -5.459 -2.736 69 HB1 ALA 14 HB1 ALA 14 4.581 -6.031 -1.736 70 HB2 ALA 14 HB2 ALA 14 4.760 -6.521 -3.418 71 H SER 15 H SER 15 3.652 -8.476 -3.873 72 HA SER 15 HA SER 15 3.392 -8.036 -6.598 73 HB2 SER 15 HB2 SER 15 4.697 -9.890 -5.604 74 HB3 SER 15 HB3 SER 15 3.191 -10.696 -5.164 75 HG SER 15 HG SER 15 4.491 -10.711 -7.515 76 H CYS 16 H CYS 16 1.210 -10.002 -4.569 77 HA CYS 16 HA CYS 16 -0.865 -9.745 -6.614 78 HB2 CYS 16 HB2 CYS 16 -1.081 -11.373 -4.090 79 HB3 CYS 16 HB3 CYS 16 -1.938 -11.591 -5.612 80 H ALA 17 H ALA 17 -3.067 -9.227 -5.975 81 HA ALA 17 HA ALA 17 -3.121 -7.274 -3.771 82 HB1 ALA 17 HB1 ALA 17 -4.132 -7.205 -6.506 83 HB2 ALA 17 HB2 ALA 17 -5.323 -6.711 -5.303 84 HB3 ALA 17 HB3 ALA 17 -3.768 -5.883 -5.396 85 H ALA 18 H ALA 18 -3.613 -8.911 -2.250 86 HA ALA 18 HA ALA 18 -5.714 -10.739 -2.328 87 HB1 ALA 18 HB1 ALA 18 -5.759 -9.802 0.279 88 HB2 ALA 18 HB2 ALA 18 -4.800 -11.142 -0.341 89 H SER 19 H SER 19 -7.668 -10.250 -3.058 90 HA SER 19 HA SER 19 -8.896 -7.714 -2.796 91 HB2 SER 19 HB2 SER 19 -10.740 -8.646 -3.941 92 HB3 SER 19 HB3 SER 19 -9.344 -9.527 -4.562 93 HG SER 19 HG SER 19 -10.423 -11.227 -3.968 Start of MODEL 14 1 H1 ALA 1 H ALA 1 -0.621 -3.477 -2.248 2 HA ALA 1 HA ALA 1 1.526 -4.227 -3.973 3 HB1 ALA 1 HB1 ALA 1 1.733 -1.727 -4.774 4 HB2 ALA 1 HB2 ALA 1 0.761 -2.897 -5.669 5 HB3 ALA 1 HB3 ALA 1 -0.019 -1.756 -4.573 6 H CYS 2 H CYS 2 3.298 -4.066 -2.776 7 HA CYS 2 HA CYS 2 3.286 -2.268 -0.464 8 HB2 CYS 2 HB2 CYS 2 5.010 -3.634 0.462 9 HB3 CYS 2 HB3 CYS 2 3.799 -4.727 -0.202 10 H GLY 3 H GLY 3 4.813 -2.765 -3.532 11 HA2 GLY 3 HA2 GLY 3 5.787 -0.358 -4.069 12 HA3 GLY 3 HA3 GLY 3 6.990 -0.921 -2.919 13 H DBB 4 H DBB 4 6.665 -3.729 -3.898 14 HA DBB 4 HA DBB 4 7.326 -3.770 -6.640 15 HB2 DBB 4 HB DBB 4 6.413 -5.623 -5.464 16 HG1 DBB 4 HG21 DBB 4 9.051 -6.525 -6.497 17 HG2 DBB 4 HG22 DBB 4 7.849 -5.782 -7.554 18 HG3 DBB 4 HG23 DBB 4 7.469 -7.277 -6.695 19 H GLY 5 H GLY 5 9.520 -3.945 -3.791 20 HA2 GLY 5 HA2 GLY 5 11.511 -2.393 -4.967 21 HA3 GLY 5 HA3 GLY 5 11.768 -3.512 -3.637 22 H IAS 6 H IAS 6 12.457 -5.684 -4.062 23 HA IAS 6 HA IAS 6 13.812 -5.906 -6.642 24 HB2 IAS 6 HB2 IAS 6 15.157 -6.551 -4.743 25 HB3 IAS 6 HB3 IAS 6 14.832 -7.972 -5.734 26 HXT IAS 6 HD2 IAS 6 10.888 -8.542 -6.177 27 H GLY 7 H GLY 7 13.480 -9.579 -4.844 28 HA2 GLY 7 HA2 GLY 7 12.729 -10.925 -3.141 29 HA3 GLY 7 HA3 GLY 7 13.652 -9.911 -2.042 30 H CYS 8 H CYS 8 10.895 -9.131 -4.144 31 HA CYS 8 HA CYS 8 9.601 -7.754 -1.958 32 HB2 CYS 8 HB2 CYS 8 9.651 -7.202 -4.559 33 HB3 CYS 8 HB3 CYS 8 8.217 -8.223 -4.558 34 H ALA 9 H ALA 9 7.762 -8.350 -0.894 35 HA ALA 9 HA ALA 9 7.216 -11.031 -0.464 36 HB1 ALA 9 HB1 ALA 9 6.507 -8.851 0.828 37 HB2 ALA 9 HB2 ALA 9 5.019 -9.057 -0.096 38 HB3 ALA 9 HB3 ALA 9 5.576 -10.342 0.976 39 H LYS 10 H LYS 10 5.894 -12.523 -1.354 40 HA LYS 10 HA LYS 10 4.658 -11.851 -3.904 41 HB2 LYS 10 HB2 LYS 10 5.595 -14.328 -2.579 42 HB3 LYS 10 HB3 LYS 10 4.202 -14.498 -3.638 43 HG2 LYS 10 HG2 LYS 10 6.161 -14.951 -4.912 44 HG3 LYS 10 HG3 LYS 10 5.519 -13.393 -5.439 45 HD2 LYS 10 HD2 LYS 10 7.271 -12.220 -4.563 46 HD3 LYS 10 HD3 LYS 10 7.547 -13.388 -3.269 47 HE2 LYS 10 HE2 LYS 10 9.337 -13.952 -4.515 48 HE3 LYS 10 HE3 LYS 10 8.156 -14.897 -5.419 49 HZ1 LYS 10 HZ1 LYS 10 9.783 -12.926 -6.414 50 HZ2 LYS 10 HZ2 LYS 10 8.256 -12.204 -6.334 51 HZ3 LYS 10 HZ3 LYS 10 8.467 -13.639 -7.203 52 H DBB 11 H DBB 11 2.554 -13.322 -4.278 53 HA DBB 11 HA DBB 11 0.804 -13.798 -2.191 54 HB2 DBB 11 HB DBB 11 0.520 -14.583 -4.416 55 HG1 DBB 11 HG21 DBB 11 -1.889 -14.410 -4.540 56 HG2 DBB 11 HG22 DBB 11 -1.849 -13.018 -3.456 57 HG3 DBB 11 HG23 DBB 11 -1.336 -14.605 -2.878 58 H CYS 12 H CYS 12 -1.042 -12.629 -1.310 59 HA CYS 12 HA CYS 12 -1.432 -9.870 -2.006 60 HB2 CYS 12 HB2 CYS 12 -2.618 -11.297 0.372 61 HB3 CYS 12 HB3 CYS 12 -3.267 -9.907 -0.491 62 H ALA 13 H ALA 13 1.058 -9.732 -1.377 63 HA ALA 13 HA ALA 13 1.122 -8.574 1.329 64 HB1 ALA 13 HB1 ALA 13 2.295 -10.715 1.368 65 HB2 ALA 13 HB2 ALA 13 3.336 -10.174 0.050 66 HB3 ALA 13 HB3 ALA 13 3.410 -9.371 1.618 67 H ALA 14 H ALA 14 2.355 -8.561 -1.937 68 HA ALA 14 HA ALA 14 2.597 -5.751 -2.089 69 HB1 ALA 14 HB1 ALA 14 4.926 -7.091 -1.135 70 HB2 ALA 14 HB2 ALA 14 5.157 -6.715 -2.840 71 H SER 15 H SER 15 3.507 -8.897 -3.434 72 HA SER 15 HA SER 15 3.698 -7.984 -6.124 73 HB2 SER 15 HB2 SER 15 3.319 -10.767 -4.996 74 HB3 SER 15 HB3 SER 15 3.655 -10.414 -6.691 75 HG SER 15 HG SER 15 5.608 -9.397 -5.967 76 H CYS 16 H CYS 16 1.382 -10.390 -4.904 77 HA CYS 16 HA CYS 16 -0.526 -9.703 -6.929 78 HB2 CYS 16 HB2 CYS 16 -1.076 -11.413 -4.509 79 HB3 CYS 16 HB3 CYS 16 -1.832 -11.495 -6.097 80 H ALA 17 H ALA 17 -2.674 -8.939 -6.571 81 HA ALA 17 HA ALA 17 -2.874 -7.159 -4.233 82 HB1 ALA 17 HB1 ALA 17 -2.812 -5.891 -6.257 83 HB2 ALA 17 HB2 ALA 17 -4.060 -6.899 -6.990 84 HB3 ALA 17 HB3 ALA 17 -4.463 -5.842 -5.638 85 H ALA 18 H ALA 18 -3.741 -8.847 -2.951 86 HA ALA 18 HA ALA 18 -6.319 -10.003 -3.638 87 HB1 ALA 18 HB1 ALA 18 -5.210 -10.138 -0.879 88 HB2 ALA 18 HB2 ALA 18 -6.100 -11.338 -1.812 89 H SER 19 H SER 19 -5.053 -7.700 -1.237 90 HA SER 19 HA SER 19 -7.437 -7.113 0.062 91 HB2 SER 19 HB2 SER 19 -5.361 -6.317 0.972 92 HB3 SER 19 HB3 SER 19 -5.025 -5.370 -0.476 93 HG SER 19 HG SER 19 -6.591 -4.769 1.689 Start of MODEL 15 1 H1 ALA 1 H ALA 1 0.027 0.301 -1.135 2 HA ALA 1 HA ALA 1 1.653 0.807 0.376 3 HB1 ALA 1 HB1 ALA 1 1.709 -0.686 2.442 4 HB2 ALA 1 HB2 ALA 1 0.192 0.140 2.086 5 HB3 ALA 1 HB3 ALA 1 0.378 -1.570 1.696 6 H CYS 2 H CYS 2 2.550 -0.520 -1.875 7 HA CYS 2 HA CYS 2 4.996 -1.679 -0.867 8 HB2 CYS 2 HB2 CYS 2 3.205 -3.547 -1.159 9 HB3 CYS 2 HB3 CYS 2 3.503 -3.332 -2.881 10 H GLY 3 H GLY 3 6.658 -1.823 -2.473 11 HA2 GLY 3 HA2 GLY 3 6.132 -0.039 -4.757 12 HA3 GLY 3 HA3 GLY 3 7.700 -0.279 -4.002 13 H DBB 4 H DBB 4 7.381 -3.201 -3.888 14 HA DBB 4 HA DBB 4 7.171 -3.942 -6.682 15 HB2 DBB 4 HB DBB 4 6.202 -5.304 -4.992 16 HG1 DBB 4 HG21 DBB 4 8.428 -6.727 -6.392 17 HG2 DBB 4 HG22 DBB 4 6.897 -6.245 -7.126 18 HG3 DBB 4 HG23 DBB 4 6.919 -7.445 -5.832 19 H GLY 5 H GLY 5 9.815 -4.141 -4.237 20 HA2 GLY 5 HA2 GLY 5 11.799 -3.196 -5.921 21 HA3 GLY 5 HA3 GLY 5 12.090 -4.237 -4.535 22 H IAS 6 H IAS 6 12.421 -6.473 -4.814 23 HA IAS 6 HA IAS 6 12.976 -7.212 -7.592 24 HB2 IAS 6 HB2 IAS 6 14.743 -7.788 -6.050 25 HB3 IAS 6 HB3 IAS 6 14.003 -9.265 -6.666 26 HXT IAS 6 HD2 IAS 6 10.569 -8.106 -8.555 27 H GLY 7 H GLY 7 14.064 -6.950 -3.989 28 HA2 GLY 7 HA2 GLY 7 13.975 -9.119 -2.061 29 HA3 GLY 7 HA3 GLY 7 14.245 -7.418 -1.709 30 H CYS 8 H CYS 8 11.597 -7.795 -3.731 31 HA CYS 8 HA CYS 8 9.784 -7.069 -1.610 32 HB2 CYS 8 HB2 CYS 8 9.894 -6.387 -4.219 33 HB3 CYS 8 HB3 CYS 8 8.717 -7.694 -4.302 34 H ALA 9 H ALA 9 7.514 -8.145 -1.728 35 HA ALA 9 HA ALA 9 7.949 -11.026 -1.414 36 HB1 ALA 9 HB1 ALA 9 5.770 -9.210 -0.398 37 HB2 ALA 9 HB2 ALA 9 5.777 -10.961 -0.185 38 HB3 ALA 9 HB3 ALA 9 7.051 -9.981 0.538 39 H LYS 10 H LYS 10 6.178 -12.487 -2.072 40 HA LYS 10 HA LYS 10 5.063 -11.629 -4.654 41 HB2 LYS 10 HB2 LYS 10 5.340 -13.763 -5.454 42 HB3 LYS 10 HB3 LYS 10 6.669 -13.696 -4.305 43 HG2 LYS 10 HG2 LYS 10 3.967 -14.938 -3.829 44 HG3 LYS 10 HG3 LYS 10 5.481 -15.797 -4.122 45 HD2 LYS 10 HD2 LYS 10 4.955 -13.955 -1.789 46 HD3 LYS 10 HD3 LYS 10 4.869 -15.718 -1.729 47 HE2 LYS 10 HE2 LYS 10 7.239 -15.822 -2.409 48 HE3 LYS 10 HE3 LYS 10 7.306 -14.061 -2.378 49 HZ1 LYS 10 HZ1 LYS 10 7.270 -15.956 -0.173 50 HZ2 LYS 10 HZ2 LYS 10 6.370 -14.543 0.054 51 HZ3 LYS 10 HZ3 LYS 10 8.023 -14.445 -0.291 52 H DBB 11 H DBB 11 3.005 -12.981 -5.230 53 HA DBB 11 HA DBB 11 1.316 -13.835 -3.166 54 HB2 DBB 11 HB DBB 11 1.069 -14.449 -5.449 55 HG1 DBB 11 HG21 DBB 11 -1.331 -14.451 -5.548 56 HG2 DBB 11 HG22 DBB 11 -1.399 -13.108 -4.405 57 HG3 DBB 11 HG23 DBB 11 -0.776 -14.677 -3.890 58 H CYS 12 H CYS 12 -0.499 -12.856 -2.092 59 HA CYS 12 HA CYS 12 -1.167 -10.113 -2.604 60 HB2 CYS 12 HB2 CYS 12 -2.061 -11.724 -0.219 61 HB3 CYS 12 HB3 CYS 12 -2.896 -10.391 -1.010 62 H ALA 13 H ALA 13 1.324 -9.752 -2.139 63 HA ALA 13 HA ALA 13 1.499 -8.788 0.639 64 HB1 ALA 13 HB1 ALA 13 3.825 -9.868 -0.942 65 HB2 ALA 13 HB2 ALA 13 3.815 -9.372 0.751 66 HB3 ALA 13 HB3 ALA 13 2.916 -10.802 0.246 67 H ALA 14 H ALA 14 2.407 -8.357 -2.706 68 HA ALA 14 HA ALA 14 2.267 -5.544 -2.649 69 HB1 ALA 14 HB1 ALA 14 4.884 -6.722 -2.129 70 HB2 ALA 14 HB2 ALA 14 4.820 -5.838 -3.650 71 H SER 15 H SER 15 3.570 -8.400 -4.298 72 HA SER 15 HA SER 15 3.435 -7.293 -6.907 73 HB2 SER 15 HB2 SER 15 3.651 -9.684 -7.648 74 HB3 SER 15 HB3 SER 15 4.893 -9.169 -6.506 75 HG SER 15 HG SER 15 3.340 -11.236 -6.268 76 H CYS 16 H CYS 16 1.516 -10.026 -5.669 77 HA CYS 16 HA CYS 16 -0.582 -9.501 -7.561 78 HB2 CYS 16 HB2 CYS 16 -0.773 -11.401 -5.233 79 HB3 CYS 16 HB3 CYS 16 -1.576 -11.501 -6.796 80 H ALA 17 H ALA 17 -2.775 -9.030 -7.044 81 HA ALA 17 HA ALA 17 -3.057 -7.451 -4.574 82 HB1 ALA 17 HB1 ALA 17 -3.226 -6.174 -6.681 83 HB2 ALA 17 HB2 ALA 17 -4.614 -7.161 -7.139 84 HB3 ALA 17 HB3 ALA 17 -4.705 -6.114 -5.723 85 H ALA 18 H ALA 18 -3.643 -9.317 -3.381 86 HA ALA 18 HA ALA 18 -6.053 -10.786 -4.036 87 HB1 ALA 18 HB1 ALA 18 -4.820 -10.791 -1.313 88 HB2 ALA 18 HB2 ALA 18 -5.644 -12.077 -2.188 89 H SER 19 H SER 19 -5.104 -8.304 -1.680 90 HA SER 19 HA SER 19 -7.579 -8.132 -0.357 91 HB2 SER 19 HB2 SER 19 -5.478 -5.983 -0.729 92 HB3 SER 19 HB3 SER 19 -6.775 -5.956 0.466 93 HG SER 19 HG SER 19 -4.381 -7.095 0.657 Start of MODEL 16 1 H1 ALA 1 H ALA 1 1.622 -1.708 -2.616 2 HA ALA 1 HA ALA 1 2.162 1.095 -1.886 3 HB1 ALA 1 HB1 ALA 1 2.438 0.146 0.489 4 HB2 ALA 1 HB2 ALA 1 0.804 0.380 -0.135 5 HB3 ALA 1 HB3 ALA 1 1.518 -1.233 -0.113 6 H CYS 2 H CYS 2 3.349 -2.231 -1.929 7 HA CYS 2 HA CYS 2 5.892 -1.882 -0.912 8 HB2 CYS 2 HB2 CYS 2 4.637 -3.786 -2.809 9 HB3 CYS 2 HB3 CYS 2 6.397 -3.725 -2.808 10 H GLY 3 H GLY 3 5.377 -2.230 -4.415 11 HA2 GLY 3 HA2 GLY 3 6.018 -0.421 -5.935 12 HA3 GLY 3 HA3 GLY 3 7.316 -0.037 -4.815 13 H DBB 4 H DBB 4 6.703 -3.376 -5.357 14 HA DBB 4 HA DBB 4 8.153 -3.838 -7.666 15 HB2 DBB 4 HB DBB 4 6.811 -5.452 -6.551 16 HG1 DBB 4 HG21 DBB 4 9.628 -6.383 -6.926 17 HG2 DBB 4 HG22 DBB 4 8.433 -6.144 -8.202 18 HG3 DBB 4 HG23 DBB 4 8.191 -7.402 -6.988 19 H GLY 5 H GLY 5 9.551 -3.940 -4.339 20 HA2 GLY 5 HA2 GLY 5 11.841 -2.518 -4.936 21 HA3 GLY 5 HA3 GLY 5 11.734 -3.718 -3.656 22 H IAS 6 H IAS 6 12.494 -5.854 -3.998 23 HA IAS 6 HA IAS 6 14.243 -6.057 -6.346 24 HB2 IAS 6 HB2 IAS 6 15.366 -6.596 -4.279 25 HB3 IAS 6 HB3 IAS 6 15.213 -8.057 -5.253 26 HXT IAS 6 HD2 IAS 6 11.767 -9.136 -6.050 27 H GLY 7 H GLY 7 13.766 -6.173 -2.624 28 HA2 GLY 7 HA2 GLY 7 13.195 -8.677 -1.195 29 HA3 GLY 7 HA3 GLY 7 13.355 -7.090 -0.457 30 H CYS 8 H CYS 8 11.453 -7.699 -3.337 31 HA CYS 8 HA CYS 8 9.094 -6.709 -1.961 32 HB2 CYS 8 HB2 CYS 8 9.942 -6.115 -4.379 33 HB3 CYS 8 HB3 CYS 8 9.082 -7.585 -4.824 34 H ALA 9 H ALA 9 7.846 -8.089 -0.897 35 HA ALA 9 HA ALA 9 7.920 -10.857 -1.049 36 HB1 ALA 9 HB1 ALA 9 5.555 -9.178 -0.223 37 HB2 ALA 9 HB2 ALA 9 5.867 -10.856 0.225 38 HB3 ALA 9 HB3 ALA 9 6.928 -9.575 0.811 39 H LYS 10 H LYS 10 6.249 -12.357 -1.790 40 HA LYS 10 HA LYS 10 5.114 -11.491 -4.365 41 HB2 LYS 10 HB2 LYS 10 5.206 -13.856 -5.028 42 HB3 LYS 10 HB3 LYS 10 6.794 -13.243 -4.587 43 HG2 LYS 10 HG2 LYS 10 6.925 -15.137 -3.399 44 HG3 LYS 10 HG3 LYS 10 5.972 -14.240 -2.214 45 HD2 LYS 10 HD2 LYS 10 4.667 -16.098 -2.377 46 HD3 LYS 10 HD3 LYS 10 3.972 -15.166 -3.706 47 HE2 LYS 10 HE2 LYS 10 6.285 -16.984 -4.221 48 HE3 LYS 10 HE3 LYS 10 4.665 -17.660 -4.062 49 HZ1 LYS 10 HZ1 LYS 10 4.150 -15.722 -5.760 50 HZ2 LYS 10 HZ2 LYS 10 4.674 -17.246 -6.274 51 HZ3 LYS 10 HZ3 LYS 10 5.775 -15.966 -6.164 52 H DBB 11 H DBB 11 3.041 -12.366 -4.994 53 HA DBB 11 HA DBB 11 1.460 -13.733 -3.048 54 HB2 DBB 11 HB DBB 11 1.209 -14.079 -5.386 55 HG1 DBB 11 HG21 DBB 11 -1.229 -14.086 -5.477 56 HG2 DBB 11 HG22 DBB 11 -1.266 -13.016 -4.075 57 HG3 DBB 11 HG23 DBB 11 -0.598 -14.643 -3.929 58 H CYS 12 H CYS 12 -0.386 -12.976 -1.852 59 HA CYS 12 HA CYS 12 -1.171 -10.218 -2.019 60 HB2 CYS 12 HB2 CYS 12 -1.994 -12.141 0.148 61 HB3 CYS 12 HB3 CYS 12 -2.888 -10.765 -0.490 62 H ALA 13 H ALA 13 1.326 -9.858 -1.503 63 HA ALA 13 HA ALA 13 1.438 -9.168 1.356 64 HB1 ALA 13 HB1 ALA 13 2.860 -11.084 1.085 65 HB2 ALA 13 HB2 ALA 13 3.669 -10.342 -0.297 66 HB3 ALA 13 HB3 ALA 13 3.872 -9.658 1.316 67 H ALA 14 H ALA 14 2.443 -8.469 -1.913 68 HA ALA 14 HA ALA 14 2.373 -5.658 -1.567 69 HB1 ALA 14 HB1 ALA 14 4.937 -6.964 -1.203 70 HB2 ALA 14 HB2 ALA 14 4.894 -6.015 -2.686 71 H SER 15 H SER 15 3.727 -8.263 -3.592 72 HA SER 15 HA SER 15 3.457 -6.901 -6.040 73 HB2 SER 15 HB2 SER 15 3.642 -9.183 -7.059 74 HB3 SER 15 HB3 SER 15 4.907 -8.826 -5.884 75 HG SER 15 HG SER 15 3.743 -10.042 -4.357 76 H CYS 16 H CYS 16 1.534 -9.722 -5.018 77 HA CYS 16 HA CYS 16 -0.624 -8.928 -6.767 78 HB2 CYS 16 HB2 CYS 16 -0.768 -11.183 -4.785 79 HB3 CYS 16 HB3 CYS 16 -1.563 -11.037 -6.348 80 H ALA 17 H ALA 17 -2.783 -8.536 -6.095 81 HA ALA 17 HA ALA 17 -2.969 -7.439 -3.366 82 HB1 ALA 17 HB1 ALA 17 -3.208 -5.957 -5.511 83 HB2 ALA 17 HB2 ALA 17 -4.846 -6.611 -5.529 84 HB3 ALA 17 HB3 ALA 17 -4.272 -5.708 -4.127 85 H ALA 18 H ALA 18 -3.588 -9.465 -2.520 86 HA ALA 18 HA ALA 18 -6.065 -10.712 -3.386 87 HB1 ALA 18 HB1 ALA 18 -4.888 -11.408 -0.763 88 HB2 ALA 18 HB2 ALA 18 -5.546 -12.435 -2.033 89 H SER 19 H SER 19 -7.878 -9.659 -2.980 90 HA SER 19 HA SER 19 -8.178 -8.293 -0.389 91 HB2 SER 19 HB2 SER 19 -9.579 -6.722 -1.399 92 HB3 SER 19 HB3 SER 19 -8.387 -7.030 -2.661 93 HG SER 19 HG SER 19 -10.007 -8.706 -3.356 Start of MODEL 17 1 H1 ALA 1 H ALA 1 0.792 2.389 -0.309 2 HA ALA 1 HA ALA 1 0.239 -0.321 -1.091 3 HB1 ALA 1 HB1 ALA 1 0.057 1.733 -2.571 4 HB2 ALA 1 HB2 ALA 1 1.817 1.682 -2.680 5 HB3 ALA 1 HB3 ALA 1 0.858 0.324 -3.268 6 H CYS 2 H CYS 2 1.782 -1.846 -1.855 7 HA CYS 2 HA CYS 2 4.026 -2.162 -0.187 8 HB2 CYS 2 HB2 CYS 2 2.708 -3.965 -1.438 9 HB3 CYS 2 HB3 CYS 2 3.673 -3.536 -2.847 10 H GLY 3 H GLY 3 6.273 -2.193 -0.732 11 HA2 GLY 3 HA2 GLY 3 7.068 0.077 -2.277 12 HA3 GLY 3 HA3 GLY 3 8.139 -1.062 -1.474 13 H DBB 4 H DBB 4 6.913 -3.364 -2.888 14 HA DBB 4 HA DBB 4 7.047 -3.076 -5.640 15 HB2 DBB 4 HB DBB 4 6.183 -4.980 -4.508 16 HG1 DBB 4 HG21 DBB 4 7.319 -6.742 -5.995 17 HG2 DBB 4 HG22 DBB 4 8.249 -5.373 -6.606 18 HG3 DBB 4 HG23 DBB 4 6.489 -5.377 -6.740 19 H GLY 5 H GLY 5 9.801 -3.747 -3.442 20 HA2 GLY 5 HA2 GLY 5 11.650 -2.323 -4.920 21 HA3 GLY 5 HA3 GLY 5 12.063 -3.640 -3.833 22 H IAS 6 H IAS 6 11.844 -5.910 -4.747 23 HA IAS 6 HA IAS 6 12.608 -5.825 -7.593 24 HB2 IAS 6 HB2 IAS 6 14.375 -6.817 -6.282 25 HB3 IAS 6 HB3 IAS 6 13.617 -8.065 -7.269 26 HXT IAS 6 HD2 IAS 6 10.353 -6.675 -8.943 27 H GLY 7 H GLY 7 12.610 -9.755 -6.201 28 HA2 GLY 7 HA2 GLY 7 12.316 -11.270 -4.499 29 HA3 GLY 7 HA3 GLY 7 13.481 -10.339 -3.570 30 H CYS 8 H CYS 8 10.786 -8.582 -4.724 31 HA CYS 8 HA CYS 8 9.937 -7.784 -2.189 32 HB2 CYS 8 HB2 CYS 8 9.447 -6.825 -4.595 33 HB3 CYS 8 HB3 CYS 8 8.004 -7.826 -4.472 34 H ALA 9 H ALA 9 7.735 -8.124 -1.265 35 HA ALA 9 HA ALA 9 7.322 -10.738 -0.491 36 HB1 ALA 9 HB1 ALA 9 4.910 -9.034 -0.607 37 HB2 ALA 9 HB2 ALA 9 5.594 -9.949 0.738 38 HB3 ALA 9 HB3 ALA 9 6.290 -8.393 0.286 39 H LYS 10 H LYS 10 5.659 -12.269 -0.973 40 HA LYS 10 HA LYS 10 4.756 -12.134 -3.774 41 HB2 LYS 10 HB2 LYS 10 5.734 -14.388 -2.070 42 HB3 LYS 10 HB3 LYS 10 4.577 -14.732 -3.349 43 HG2 LYS 10 HG2 LYS 10 6.199 -13.478 -4.887 44 HG3 LYS 10 HG3 LYS 10 7.368 -13.671 -3.579 45 HD2 LYS 10 HD2 LYS 10 6.597 -16.178 -3.686 46 HD3 LYS 10 HD3 LYS 10 6.102 -15.736 -5.322 47 HE2 LYS 10 HE2 LYS 10 8.291 -16.552 -5.548 48 HE3 LYS 10 HE3 LYS 10 8.452 -14.798 -5.604 49 HZ1 LYS 10 HZ1 LYS 10 8.646 -15.614 -2.935 50 HZ2 LYS 10 HZ2 LYS 10 9.840 -14.907 -3.903 51 HZ3 LYS 10 HZ3 LYS 10 9.684 -16.591 -3.847 52 H DBB 11 H DBB 11 2.781 -13.649 -4.134 53 HA DBB 11 HA DBB 11 0.994 -14.219 -2.104 54 HB2 DBB 11 HB DBB 11 0.838 -15.039 -4.330 55 HG1 DBB 11 HG21 DBB 11 -1.671 -13.617 -3.544 56 HG2 DBB 11 HG22 DBB 11 -1.069 -15.100 -2.803 57 HG3 DBB 11 HG23 DBB 11 -1.554 -15.093 -4.500 58 H CYS 12 H CYS 12 -0.788 -13.147 -1.116 59 HA CYS 12 HA CYS 12 -1.482 -10.472 -1.926 60 HB2 CYS 12 HB2 CYS 12 -3.085 -12.260 -1.033 61 HB3 CYS 12 HB3 CYS 12 -2.444 -11.875 0.562 62 H ALA 13 H ALA 13 1.027 -10.123 -1.389 63 HA ALA 13 HA ALA 13 1.085 -8.858 1.271 64 HB1 ALA 13 HB1 ALA 13 3.368 -10.282 -0.094 65 HB2 ALA 13 HB2 ALA 13 3.477 -9.390 1.425 66 HB3 ALA 13 HB3 ALA 13 2.483 -10.843 1.325 67 H ALA 14 H ALA 14 2.140 -8.800 -2.056 68 HA ALA 14 HA ALA 14 2.016 -6.026 -2.366 69 HB1 ALA 14 HB1 ALA 14 4.617 -7.099 -1.509 70 HB2 ALA 14 HB2 ALA 14 4.636 -6.266 -3.060 71 H SER 15 H SER 15 3.452 -9.062 -3.471 72 HA SER 15 HA SER 15 3.689 -8.332 -6.192 73 HB2 SER 15 HB2 SER 15 4.954 -10.207 -5.373 74 HB3 SER 15 HB3 SER 15 3.488 -11.037 -4.853 75 HG SER 15 HG SER 15 4.412 -11.738 -6.912 76 H CYS 16 H CYS 16 1.411 -10.700 -4.806 77 HA CYS 16 HA CYS 16 -0.390 -10.334 -7.034 78 HB2 CYS 16 HB2 CYS 16 -0.913 -11.950 -4.540 79 HB3 CYS 16 HB3 CYS 16 -1.632 -12.155 -6.134 80 H ALA 17 H ALA 17 -1.915 -8.836 -7.118 81 HA ALA 17 HA ALA 17 -2.551 -7.190 -4.873 82 HB1 ALA 17 HB1 ALA 17 -2.511 -6.344 -7.186 83 HB2 ALA 17 HB2 ALA 17 -3.922 -7.335 -7.556 84 HB3 ALA 17 HB3 ALA 17 -4.047 -6.028 -6.379 85 H ALA 18 H ALA 18 -3.275 -8.902 -3.448 86 HA ALA 18 HA ALA 18 -5.789 -10.235 -3.955 87 HB1 ALA 18 HB1 ALA 18 -5.605 -11.061 -1.683 88 HB2 ALA 18 HB2 ALA 18 -4.047 -11.217 -2.487 89 H SER 19 H SER 19 -4.705 -7.414 -2.124 90 HA SER 19 HA SER 19 -7.391 -6.863 -1.177 91 HB2 SER 19 HB2 SER 19 -6.359 -4.925 -0.057 92 HB3 SER 19 HB3 SER 19 -5.483 -6.413 0.301 93 HG SER 19 HG SER 19 -3.862 -5.163 -0.286 Start of MODEL 18 1 H1 ALA 1 H ALA 1 4.279 0.412 2.636 2 HA ALA 1 HA ALA 1 1.898 -0.161 0.995 3 HB1 ALA 1 HB1 ALA 1 2.421 2.100 0.656 4 HB2 ALA 1 HB2 ALA 1 4.154 1.776 0.579 5 HB3 ALA 1 HB3 ALA 1 3.101 1.264 -0.740 6 H CYS 2 H CYS 2 2.528 -0.846 -1.304 7 HA CYS 2 HA CYS 2 4.981 -2.367 -1.508 8 HB2 CYS 2 HB2 CYS 2 2.589 -3.628 -0.616 9 HB3 CYS 2 HB3 CYS 2 2.917 -4.194 -2.251 10 H GLY 3 H GLY 3 5.669 -2.478 -3.569 11 HA2 GLY 3 HA2 GLY 3 3.759 -2.270 -5.762 12 HA3 GLY 3 HA3 GLY 3 4.907 -0.949 -5.604 13 H DBB 4 H DBB 4 5.933 -4.119 -4.681 14 HA DBB 4 HA DBB 4 7.132 -4.535 -7.308 15 HB2 DBB 4 HB DBB 4 5.928 -6.319 -6.299 16 HG1 DBB 4 HG21 DBB 4 8.808 -7.090 -6.401 17 HG2 DBB 4 HG22 DBB 4 7.878 -6.643 -7.832 18 HG3 DBB 4 HG23 DBB 4 7.408 -8.050 -6.875 19 H GLY 5 H GLY 5 9.450 -5.073 -7.572 20 HA2 GLY 5 HA2 GLY 5 11.608 -4.196 -7.289 21 HA3 GLY 5 HA3 GLY 5 11.104 -3.511 -5.751 22 H IAS 6 H IAS 6 13.107 -5.765 -7.122 23 HA IAS 6 HA IAS 6 14.098 -7.672 -6.340 24 HB2 IAS 6 HB2 IAS 6 15.203 -5.947 -5.017 25 HB3 IAS 6 HB3 IAS 6 15.055 -7.442 -4.094 26 HXT IAS 6 HD2 IAS 6 11.500 -9.327 -6.111 27 H GLY 7 H GLY 7 13.044 -7.452 -2.654 28 HA2 GLY 7 HA2 GLY 7 12.772 -6.221 -0.533 29 HA3 GLY 7 HA3 GLY 7 12.669 -4.757 -1.500 30 H CYS 8 H CYS 8 11.118 -7.677 -2.567 31 HA CYS 8 HA CYS 8 8.522 -6.714 -1.599 32 HB2 CYS 8 HB2 CYS 8 9.021 -5.956 -3.994 33 HB3 CYS 8 HB3 CYS 8 8.888 -7.654 -4.440 34 H ALA 9 H ALA 9 7.060 -8.297 -1.113 35 HA ALA 9 HA ALA 9 8.101 -11.018 -1.056 36 HB1 ALA 9 HB1 ALA 9 5.705 -9.746 0.253 37 HB2 ALA 9 HB2 ALA 9 6.115 -11.456 0.395 38 HB3 ALA 9 HB3 ALA 9 7.219 -10.230 1.018 39 H LYS 10 H LYS 10 6.003 -12.633 -1.152 40 HA LYS 10 HA LYS 10 4.915 -12.218 -3.856 41 HB2 LYS 10 HB2 LYS 10 6.456 -14.267 -3.078 42 HB3 LYS 10 HB3 LYS 10 4.890 -14.917 -2.611 43 HG2 LYS 10 HG2 LYS 10 4.194 -15.160 -4.754 44 HG3 LYS 10 HG3 LYS 10 5.112 -13.766 -5.328 45 HD2 LYS 10 HD2 LYS 10 6.588 -16.179 -4.384 46 HD3 LYS 10 HD3 LYS 10 5.822 -16.215 -5.974 47 HE2 LYS 10 HE2 LYS 10 7.729 -14.067 -5.059 48 HE3 LYS 10 HE3 LYS 10 8.211 -15.485 -5.989 49 HZ1 LYS 10 HZ1 LYS 10 6.707 -13.131 -6.834 50 HZ2 LYS 10 HZ2 LYS 10 6.273 -14.610 -7.531 51 HZ3 LYS 10 HZ3 LYS 10 7.858 -14.039 -7.678 52 H DBB 11 H DBB 11 2.825 -13.655 -4.147 53 HA DBB 11 HA DBB 11 1.140 -14.074 -1.963 54 HB2 DBB 11 HB DBB 11 0.842 -15.050 -4.110 55 HG1 DBB 11 HG21 DBB 11 -1.527 -15.073 -4.138 56 HG2 DBB 11 HG22 DBB 11 -1.602 -13.491 -3.362 57 HG3 DBB 11 HG23 DBB 11 -0.985 -14.884 -2.471 58 H CYS 12 H CYS 12 -0.774 -12.898 -1.199 59 HA CYS 12 HA CYS 12 -1.422 -10.310 -2.106 60 HB2 CYS 12 HB2 CYS 12 -2.053 -11.725 0.489 61 HB3 CYS 12 HB3 CYS 12 -2.738 -10.168 0.034 62 H ALA 13 H ALA 13 1.154 -11.393 -0.229 63 HA ALA 13 HA ALA 13 1.609 -9.512 1.700 64 HB1 ALA 13 HB1 ALA 13 3.050 -11.499 1.084 65 HB2 ALA 13 HB2 ALA 13 3.793 -10.463 -0.135 66 HB3 ALA 13 HB3 ALA 13 3.906 -10.037 1.573 67 H ALA 14 H ALA 14 2.197 -9.199 -1.749 68 HA ALA 14 HA ALA 14 1.745 -6.459 -1.925 69 HB1 ALA 14 HB1 ALA 14 4.563 -7.273 -1.436 70 HB2 ALA 14 HB2 ALA 14 4.248 -6.193 -2.791 71 H SER 15 H SER 15 3.726 -9.073 -3.320 72 HA SER 15 HA SER 15 3.721 -8.331 -5.961 73 HB2 SER 15 HB2 SER 15 4.984 -10.250 -5.273 74 HB3 SER 15 HB3 SER 15 3.526 -11.095 -4.752 75 HG SER 15 HG SER 15 4.497 -11.602 -6.920 76 H CYS 16 H CYS 16 1.531 -10.909 -4.880 77 HA CYS 16 HA CYS 16 -0.285 -10.464 -7.015 78 HB2 CYS 16 HB2 CYS 16 -0.868 -11.965 -4.460 79 HB3 CYS 16 HB3 CYS 16 -1.617 -12.194 -6.037 80 H ALA 17 H ALA 17 -1.965 -9.126 -7.176 81 HA ALA 17 HA ALA 17 -2.512 -7.250 -5.075 82 HB1 ALA 17 HB1 ALA 17 -2.730 -6.211 -7.095 83 HB2 ALA 17 HB2 ALA 17 -3.419 -7.633 -7.879 84 HB3 ALA 17 HB3 ALA 17 -4.414 -6.649 -6.806 85 H ALA 18 H ALA 18 -3.138 -8.965 -3.538 86 HA ALA 18 HA ALA 18 -5.540 -10.449 -3.786 87 HB1 ALA 18 HB1 ALA 18 -3.955 -9.498 -1.402 88 HB2 ALA 18 HB2 ALA 18 -5.511 -10.309 -1.248 89 H SER 19 H SER 19 -4.873 -7.179 -2.652 90 HA SER 19 HA SER 19 -7.709 -6.757 -2.077 91 HB2 SER 19 HB2 SER 19 -6.535 -5.781 -0.347 92 HB3 SER 19 HB3 SER 19 -5.182 -5.323 -1.381 93 HG SER 19 HG SER 19 -7.658 -4.044 -1.016 Start of MODEL 19 1 H1 ALA 1 H ALA 1 6.975 0.741 1.217 2 HA ALA 1 HA ALA 1 4.365 -0.023 0.510 3 HB1 ALA 1 HB1 ALA 1 4.701 1.327 -1.825 4 HB2 ALA 1 HB2 ALA 1 3.677 1.863 -0.492 5 HB3 ALA 1 HB3 ALA 1 5.316 2.494 -0.654 6 H CYS 2 H CYS 2 4.323 -1.518 -1.197 7 HA CYS 2 HA CYS 2 6.944 -2.603 -1.861 8 HB2 CYS 2 HB2 CYS 2 4.437 -3.736 -1.272 9 HB3 CYS 2 HB3 CYS 2 4.737 -4.094 -2.970 10 H GLY 3 H GLY 3 7.767 -1.325 -3.477 11 HA2 GLY 3 HA2 GLY 3 6.225 -0.466 -5.723 12 HA3 GLY 3 HA3 GLY 3 7.972 -0.365 -5.562 13 H DBB 4 H DBB 4 8.081 -3.323 -5.015 14 HA DBB 4 HA DBB 4 7.230 -4.386 -7.582 15 HB2 DBB 4 HB DBB 4 6.804 -5.609 -5.589 16 HG1 DBB 4 HG21 DBB 4 8.557 -7.575 -6.669 17 HG2 DBB 4 HG22 DBB 4 7.882 -6.580 -7.960 18 HG3 DBB 4 HG23 DBB 4 6.809 -7.419 -6.837 19 H GLY 5 H GLY 5 10.388 -4.180 -5.852 20 HA2 GLY 5 HA2 GLY 5 11.932 -5.131 -7.997 21 HA3 GLY 5 HA3 GLY 5 11.782 -3.388 -8.156 22 H IAS 6 H IAS 6 12.087 -5.423 -5.207 23 HA IAS 6 HA IAS 6 14.237 -3.713 -4.295 24 HB2 IAS 6 HB2 IAS 6 12.723 -4.570 -2.610 25 HB3 IAS 6 HB3 IAS 6 14.347 -5.193 -2.322 26 HXT IAS 6 HD2 IAS 6 15.619 -6.760 -6.174 27 H GLY 7 H GLY 7 13.441 -6.890 -1.082 28 HA2 GLY 7 HA2 GLY 7 12.682 -9.203 -2.608 29 HA3 GLY 7 HA3 GLY 7 12.879 -9.122 -0.863 30 H CYS 8 H CYS 8 10.683 -7.946 -3.412 31 HA CYS 8 HA CYS 8 8.474 -7.568 -1.703 32 HB2 CYS 8 HB2 CYS 8 8.397 -8.166 -4.666 33 HB3 CYS 8 HB3 CYS 8 7.157 -7.350 -3.718 34 H ALA 9 H ALA 9 7.311 -9.037 -0.670 35 HA ALA 9 HA ALA 9 7.571 -11.822 -1.127 36 HB1 ALA 9 HB1 ALA 9 5.852 -10.128 0.627 37 HB2 ALA 9 HB2 ALA 9 5.481 -11.842 0.439 38 HB3 ALA 9 HB3 ALA 9 7.054 -11.343 1.063 39 H LYS 10 H LYS 10 5.518 -13.215 -1.351 40 HA LYS 10 HA LYS 10 4.165 -12.347 -3.792 41 HB2 LYS 10 HB2 LYS 10 4.358 -15.054 -2.461 42 HB3 LYS 10 HB3 LYS 10 3.462 -14.740 -3.942 43 HG2 LYS 10 HG2 LYS 10 6.415 -14.259 -3.623 44 HG3 LYS 10 HG3 LYS 10 5.710 -15.731 -4.296 45 HD2 LYS 10 HD2 LYS 10 4.723 -14.493 -6.107 46 HD3 LYS 10 HD3 LYS 10 5.226 -12.961 -5.389 47 HE2 LYS 10 HE2 LYS 10 7.582 -13.651 -5.656 48 HE3 LYS 10 HE3 LYS 10 7.037 -15.128 -6.450 49 HZ1 LYS 10 HZ1 LYS 10 6.617 -12.351 -7.412 50 HZ2 LYS 10 HZ2 LYS 10 5.972 -13.730 -8.149 51 HZ3 LYS 10 HZ3 LYS 10 7.648 -13.507 -8.091 52 H DBB 11 H DBB 11 1.835 -13.537 -3.893 53 HA DBB 11 HA DBB 11 0.288 -13.725 -1.612 54 HB2 DBB 11 HB DBB 11 -0.362 -14.482 -3.770 55 HG1 DBB 11 HG21 DBB 11 -2.691 -14.078 -3.577 56 HG2 DBB 11 HG22 DBB 11 -2.406 -12.571 -2.705 57 HG3 DBB 11 HG23 DBB 11 -1.986 -14.116 -1.962 58 H CYS 12 H CYS 12 -1.186 -12.300 -0.498 59 HA CYS 12 HA CYS 12 -1.329 -9.528 -1.239 60 HB2 CYS 12 HB2 CYS 12 -3.117 -11.048 -0.062 61 HB3 CYS 12 HB3 CYS 12 -2.279 -10.561 1.408 62 H ALA 13 H ALA 13 1.224 -9.698 -1.004 63 HA ALA 13 HA ALA 13 1.864 -8.551 1.633 64 HB1 ALA 13 HB1 ALA 13 3.879 -10.115 0.059 65 HB2 ALA 13 HB2 ALA 13 3.885 -9.699 1.774 66 HB3 ALA 13 HB3 ALA 13 2.762 -10.915 1.165 67 H ALA 14 H ALA 14 2.504 -8.622 -1.798 68 HA ALA 14 HA ALA 14 2.954 -5.863 -2.052 69 HB1 ALA 14 HB1 ALA 14 5.315 -7.466 -1.505 70 HB2 ALA 14 HB2 ALA 14 5.321 -6.812 -3.139 71 H SER 15 H SER 15 3.405 -9.098 -3.390 72 HA SER 15 HA SER 15 3.367 -8.274 -6.115 73 HB2 SER 15 HB2 SER 15 3.082 -10.919 -4.715 74 HB3 SER 15 HB3 SER 15 2.800 -10.790 -6.451 75 HG SER 15 HG SER 15 4.875 -10.801 -6.694 76 H CYS 16 H CYS 16 0.980 -10.358 -4.492 77 HA CYS 16 HA CYS 16 -1.078 -9.564 -6.326 78 HB2 CYS 16 HB2 CYS 16 -1.485 -11.106 -3.767 79 HB3 CYS 16 HB3 CYS 16 -2.456 -11.159 -5.235 80 H ALA 17 H ALA 17 -3.193 -8.741 -5.599 81 HA ALA 17 HA ALA 17 -2.811 -6.585 -3.649 82 HB1 ALA 17 HB1 ALA 17 -3.638 -6.246 -6.086 83 HB2 ALA 17 HB2 ALA 17 -5.190 -6.791 -5.448 84 HB3 ALA 17 HB3 ALA 17 -4.414 -5.358 -4.775 85 H ALA 18 H ALA 18 -3.818 -9.611 -3.535 86 HA ALA 18 HA ALA 18 -5.307 -10.862 -2.318 87 HB1 ALA 18 HB1 ALA 18 -5.811 -8.843 -0.278 88 HB2 ALA 18 HB2 ALA 18 -5.126 -10.459 -0.138 89 H SER 19 H SER 19 -7.021 -10.896 -3.720 90 HA SER 19 HA SER 19 -8.848 -8.848 -4.190 91 HB2 SER 19 HB2 SER 19 -10.398 -10.730 -4.904 92 HB3 SER 19 HB3 SER 19 -8.817 -10.709 -5.684 93 HG SER 19 HG SER 19 -9.449 -12.804 -4.930 Start of MODEL 20 1 H1 ALA 1 H ALA 1 0.649 1.227 -2.707 2 HA ALA 1 HA ALA 1 3.391 1.175 -2.599 3 HB1 ALA 1 HB1 ALA 1 3.158 1.239 -0.355 4 HB2 ALA 1 HB2 ALA 1 1.459 1.486 -0.759 5 HB3 ALA 1 HB3 ALA 1 2.036 -0.122 -0.322 6 H CYS 2 H CYS 2 4.922 -0.426 -1.933 7 HA CYS 2 HA CYS 2 5.958 -2.445 -2.078 8 HB2 CYS 2 HB2 CYS 2 3.812 -2.916 -0.548 9 HB3 CYS 2 HB3 CYS 2 3.406 -3.962 -1.905 10 H GLY 3 H GLY 3 5.168 -1.179 -4.487 11 HA2 GLY 3 HA2 GLY 3 4.069 -3.187 -6.250 12 HA3 GLY 3 HA3 GLY 3 4.662 -1.599 -6.714 13 H DBB 4 H DBB 4 6.077 -4.538 -5.246 14 HA DBB 4 HA DBB 4 7.885 -4.697 -7.509 15 HB2 DBB 4 HB DBB 4 6.783 -6.647 -6.712 16 HG1 DBB 4 HG21 DBB 4 9.729 -6.883 -6.269 17 HG2 DBB 4 HG22 DBB 4 8.962 -6.738 -7.851 18 HG3 DBB 4 HG23 DBB 4 8.635 -8.144 -6.835 19 H GLY 5 H GLY 5 10.238 -4.751 -7.352 20 HA2 GLY 5 HA2 GLY 5 11.819 -3.031 -6.424 21 HA3 GLY 5 HA3 GLY 5 11.266 -3.570 -4.846 22 H IAS 6 H IAS 6 12.453 -5.085 -3.808 23 HA IAS 6 HA IAS 6 14.482 -6.473 -5.397 24 HB2 IAS 6 HB2 IAS 6 15.327 -5.523 -3.346 25 HB3 IAS 6 HB3 IAS 6 15.379 -7.282 -3.234 26 HXT IAS 6 HD2 IAS 6 12.072 -8.868 -5.843 27 H GLY 7 H GLY 7 13.266 -8.162 -2.187 28 HA2 GLY 7 HA2 GLY 7 12.822 -8.139 0.254 29 HA3 GLY 7 HA3 GLY 7 12.558 -6.410 0.086 30 H CYS 8 H CYS 8 11.137 -6.815 -2.494 31 HA CYS 8 HA CYS 8 8.517 -6.850 -1.540 32 HB2 CYS 8 HB2 CYS 8 9.218 -5.864 -3.706 33 HB3 CYS 8 HB3 CYS 8 9.450 -7.487 -4.347 34 H ALA 9 H ALA 9 7.353 -8.464 -0.757 35 HA ALA 9 HA ALA 9 8.142 -11.204 -1.118 36 HB1 ALA 9 HB1 ALA 9 5.997 -9.813 0.430 37 HB2 ALA 9 HB2 ALA 9 5.936 -11.562 0.205 38 HB3 ALA 9 HB3 ALA 9 7.322 -10.823 1.008 39 H LYS 10 H LYS 10 6.015 -12.724 -1.380 40 HA LYS 10 HA LYS 10 4.848 -11.946 -3.972 41 HB2 LYS 10 HB2 LYS 10 5.769 -14.597 -2.905 42 HB3 LYS 10 HB3 LYS 10 4.571 -14.521 -4.189 43 HG2 LYS 10 HG2 LYS 10 7.126 -13.011 -4.474 44 HG3 LYS 10 HG3 LYS 10 7.097 -14.752 -4.761 45 HD2 LYS 10 HD2 LYS 10 5.011 -13.074 -6.059 46 HD3 LYS 10 HD3 LYS 10 6.652 -13.015 -6.707 47 HE2 LYS 10 HE2 LYS 10 6.603 -15.506 -6.850 48 HE3 LYS 10 HE3 LYS 10 4.905 -15.451 -6.379 49 HZ1 LYS 10 HZ1 LYS 10 4.316 -14.948 -8.443 50 HZ2 LYS 10 HZ2 LYS 10 5.904 -15.272 -8.927 51 HZ3 LYS 10 HZ3 LYS 10 5.442 -13.689 -8.549 52 H DBB 11 H DBB 11 2.773 -13.353 -4.405 53 HA DBB 11 HA DBB 11 1.187 -14.214 -2.298 54 HB2 DBB 11 HB DBB 11 0.781 -14.689 -4.591 55 HG1 DBB 11 HG21 DBB 11 -1.572 -14.759 -4.495 56 HG2 DBB 11 HG22 DBB 11 -1.633 -13.351 -3.434 57 HG3 DBB 11 HG23 DBB 11 -0.964 -14.875 -2.845 58 H CYS 12 H CYS 12 -0.438 -13.268 -0.974 59 HA CYS 12 HA CYS 12 -1.168 -10.512 -1.314 60 HB2 CYS 12 HB2 CYS 12 -1.810 -12.456 0.915 61 HB3 CYS 12 HB3 CYS 12 -2.549 -10.873 0.704 62 H ALA 13 H ALA 13 1.364 -10.165 -1.109 63 HA ALA 13 HA ALA 13 1.827 -9.271 1.658 64 HB1 ALA 13 HB1 ALA 13 3.912 -10.443 -0.181 65 HB2 ALA 13 HB2 ALA 13 4.185 -9.829 1.451 66 HB3 ALA 13 HB3 ALA 13 3.186 -11.260 1.203 67 H ALA 14 H ALA 14 2.418 -8.790 -1.751 68 HA ALA 14 HA ALA 14 2.254 -6.007 -1.715 69 HB1 ALA 14 HB1 ALA 14 4.954 -7.123 -1.315 70 HB2 ALA 14 HB2 ALA 14 4.771 -6.077 -2.719 71 H SER 15 H SER 15 3.651 -8.831 -3.340 72 HA SER 15 HA SER 15 3.555 -7.795 -5.957 73 HB2 SER 15 HB2 SER 15 4.906 -9.735 -5.504 74 HB3 SER 15 HB3 SER 15 3.503 -10.644 -4.940 75 HG SER 15 HG SER 15 4.421 -10.728 -7.312 76 H CYS 16 H CYS 16 1.387 -10.207 -4.464 77 HA CYS 16 HA CYS 16 -0.635 -9.639 -6.476 78 HB2 CYS 16 HB2 CYS 16 -0.880 -11.571 -4.173 79 HB3 CYS 16 HB3 CYS 16 -1.762 -11.581 -5.697 80 H ALA 17 H ALA 17 -2.471 -8.522 -6.149 81 HA ALA 17 HA ALA 17 -2.739 -6.666 -4.129 82 HB1 ALA 17 HB1 ALA 17 -5.251 -6.768 -4.787 83 HB2 ALA 17 HB2 ALA 17 -4.058 -6.247 -5.978 84 HB3 ALA 17 HB3 ALA 17 -4.694 -7.891 -6.028 85 H ALA 18 H ALA 18 -4.677 -9.622 -4.415 86 HA ALA 18 HA ALA 18 -5.731 -10.945 -2.884 87 HB1 ALA 18 HB1 ALA 18 -3.276 -10.087 -1.517 88 HB2 ALA 18 HB2 ALA 18 -4.644 -10.377 -0.447 89 H SER 19 H SER 19 -6.264 -7.957 -3.262 90 HA SER 19 HA SER 19 -7.692 -7.387 -0.768 91 HB2 SER 19 HB2 SER 19 -6.572 -5.444 -1.300 92 HB3 SER 19 HB3 SER 19 -6.692 -5.724 -3.037 93 HG SER 19 HG SER 19 -8.054 -4.004 -2.140
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