NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
647935 | 6otb | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 2.803 -0.793 -1.219 3 HA3 GLY 1 HA3 GLY 1 1.385 -0.184 -2.061 4 H CYS 2 H CYS 2 1.398 1.852 -2.836 5 HA CYS 2 HA CYS 2 3.888 3.314 -2.687 6 HB2 CYS 2 HB2 CYS 2 1.322 3.908 -4.176 7 HB3 CYS 2 HB3 CYS 2 2.818 4.820 -4.340 8 H CYS 3 H CYS 3 4.279 5.141 -1.576 9 HA CYS 3 HA CYS 3 2.654 5.874 0.590 10 HB2 CYS 3 HB2 CYS 3 5.089 6.982 -0.711 11 HB3 CYS 3 HB3 CYS 3 4.189 8.054 0.358 12 H CYS 4 H CYS 4 1.308 7.624 0.957 13 HA CYS 4 HA CYS 4 0.597 9.293 -1.347 14 HB2 CYS 4 HB2 CYS 4 -1.386 7.791 0.377 15 HB3 CYS 4 HB3 CYS 4 -1.809 8.990 -0.842 16 H ASN 5 H ASN 5 0.301 8.722 2.131 17 HA ASN 5 HA ASN 5 -0.655 11.339 2.734 18 HB2 ASN 5 HB2 ASN 5 0.043 10.676 5.106 19 HB3 ASN 5 HB3 ASN 5 -1.179 9.676 4.327 20 HD21 ASN 5 HD21 ASN 5 -0.896 7.594 4.587 21 HD22 ASN 5 HD22 ASN 5 0.615 6.784 4.796 22 HA PRO 6 HA PRO 6 3.038 13.706 2.864 23 HB2 PRO 6 HB2 PRO 6 2.562 15.352 4.970 24 HB3 PRO 6 HB3 PRO 6 1.730 15.512 3.419 25 HG2 PRO 6 HG2 PRO 6 0.787 14.219 5.948 26 HG3 PRO 6 HG3 PRO 6 -0.098 15.279 4.836 27 HD2 PRO 6 HD2 PRO 6 -0.385 12.586 4.820 28 HD3 PRO 6 HD3 PRO 6 -0.528 13.570 3.350 29 H ALA 7 H ALA 7 2.001 12.290 5.935 30 HA ALA 7 HA ALA 7 4.248 12.665 7.484 31 HB1 ALA 7 HB1 ALA 7 2.212 10.478 7.372 32 HB2 ALA 7 HB2 ALA 7 3.584 10.362 8.475 33 HB3 ALA 7 HB3 ALA 7 2.460 11.716 8.603 34 H CYS 8 H CYS 8 3.711 10.326 4.916 35 HA CYS 8 HA CYS 8 5.830 8.593 5.342 36 HB2 CYS 8 HB2 CYS 8 4.188 8.111 3.651 37 HB3 CYS 8 HB3 CYS 8 4.611 9.565 2.754 38 H GLY 9 H GLY 9 5.797 11.721 3.682 39 HA2 GLY 9 HA2 GLY 9 8.391 12.438 4.356 40 HA3 GLY 9 HA3 GLY 9 8.498 11.611 2.808 41 HA PRO 10 HA PRO 10 7.728 16.107 1.992 42 HB2 PRO 10 HB2 PRO 10 9.619 16.318 0.055 43 HB3 PRO 10 HB3 PRO 10 9.977 16.524 1.774 44 HG2 PRO 10 HG2 PRO 10 10.386 14.126 0.028 45 HG3 PRO 10 HG3 PRO 10 11.468 14.818 1.251 46 HD2 PRO 10 HD2 PRO 10 9.917 12.651 1.736 47 HD3 PRO 10 HD3 PRO 10 10.332 13.830 2.997 48 H ASN 11 H ASN 11 8.184 13.336 -0.144 49 HA ASN 11 HA ASN 11 5.972 14.316 -1.797 50 HB2 ASN 11 HB2 ASN 11 7.870 14.967 -3.089 51 HB3 ASN 11 HB3 ASN 11 8.675 13.426 -2.806 52 HD21 ASN 11 HD21 ASN 11 5.343 14.130 -3.755 53 HD22 ASN 11 HD22 ASN 11 5.400 13.262 -5.248 54 H TYR 12 H TYR 12 4.562 12.768 -2.412 55 HA TYR 12 HA TYR 12 5.285 9.973 -1.817 56 HB2 TYR 12 HB2 TYR 12 2.623 9.869 -1.590 57 HB3 TYR 12 HB3 TYR 12 3.668 10.269 -0.232 58 HD1 TYR 12 HD1 TYR 12 3.376 12.279 0.918 59 HD2 TYR 12 HD2 TYR 12 1.664 11.833 -2.952 60 HE1 TYR 12 HE1 TYR 12 2.198 14.420 1.198 61 HE2 TYR 12 HE2 TYR 12 0.483 13.973 -2.683 62 HH TYR 12 HH TYR 12 0.239 15.795 -1.415 63 H GLY 13 H GLY 13 3.540 12.173 -3.937 64 HA2 GLY 13 HA2 GLY 13 2.683 11.907 -6.052 65 HA3 GLY 13 HA3 GLY 13 4.037 10.811 -6.285 66 H CYS 14 H CYS 14 1.046 10.649 -4.352 67 HA CYS 14 HA CYS 14 0.657 7.905 -4.677 68 HB2 CYS 14 HB2 CYS 14 -0.476 9.492 -3.023 69 HB3 CYS 14 HB3 CYS 14 -1.589 9.886 -4.329 70 H GLY 15 H GLY 15 -0.084 6.681 -6.293 71 HA2 GLY 15 HA2 GLY 15 -1.118 8.058 -8.680 72 HA3 GLY 15 HA3 GLY 15 -0.359 6.473 -8.668 73 H THR 16 H THR 16 -2.861 7.136 -9.878 74 HA THR 16 HA THR 16 -5.064 6.398 -8.282 75 HB THR 16 HB THR 16 -4.890 5.947 -11.259 76 HG1 THR 16 HG1 THR 16 -4.520 8.029 -11.371 77 HG21 THR 16 HG21 THR 16 -7.128 6.512 -9.323 78 HG22 THR 16 HG22 THR 16 -6.918 5.104 -10.364 79 HG23 THR 16 HG23 THR 16 -7.312 6.671 -11.069 80 H SER 17 H SER 17 -2.911 4.520 -10.369 81 HA SER 17 HA SER 17 -4.333 2.067 -10.029 82 HB2 SER 17 HB2 SER 17 -3.063 2.093 -11.981 83 HB3 SER 17 HB3 SER 17 -1.673 2.832 -11.187 84 HG SER 17 HG SER 17 -2.385 0.179 -11.400 85 H CYS 18 H CYS 18 -1.600 3.606 -8.441 86 HA CYS 18 HA CYS 18 -1.455 1.344 -6.562 87 HB2 CYS 18 HB2 CYS 18 0.615 2.112 -7.905 88 HB3 CYS 18 HB3 CYS 18 0.635 3.494 -6.815 89 H SER 19 H SER 19 -3.546 2.677 -5.910 90 HA SER 19 HA SER 19 -3.013 4.984 -4.267 91 HB2 SER 19 HB2 SER 19 -5.393 4.994 -3.824 92 HB3 SER 19 HB3 SER 19 -5.144 4.686 -5.542 93 HG SER 19 HG SER 19 -5.873 2.858 -3.513 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 2.639 0.198 1.066 2 HA2 GLY 1 HA2 GLY 1 2.444 -0.745 -1.625 3 HA3 GLY 1 HA3 GLY 1 0.988 0.107 -1.135 4 H CYS 2 H CYS 2 1.400 1.713 -2.711 5 HA CYS 2 HA CYS 2 3.819 3.256 -2.633 6 HB2 CYS 2 HB2 CYS 2 1.203 3.940 -3.987 7 HB3 CYS 2 HB3 CYS 2 2.786 4.623 -4.341 8 H CYS 3 H CYS 3 4.234 5.105 -1.572 9 HA CYS 3 HA CYS 3 2.649 5.877 0.622 10 HB2 CYS 3 HB2 CYS 3 5.092 6.914 -0.715 11 HB3 CYS 3 HB3 CYS 3 4.218 8.032 0.327 12 H CYS 4 H CYS 4 1.292 7.608 0.964 13 HA CYS 4 HA CYS 4 0.609 9.285 -1.343 14 HB2 CYS 4 HB2 CYS 4 -1.400 7.809 0.372 15 HB3 CYS 4 HB3 CYS 4 -1.798 8.992 -0.869 16 H ASN 5 H ASN 5 0.291 8.717 2.133 17 HA ASN 5 HA ASN 5 -0.660 11.334 2.733 18 HB2 ASN 5 HB2 ASN 5 0.043 10.673 5.107 19 HB3 ASN 5 HB3 ASN 5 -1.182 9.673 4.330 20 HD21 ASN 5 HD21 ASN 5 -0.899 7.587 4.556 21 HD22 ASN 5 HD22 ASN 5 0.611 6.776 4.775 22 HA PRO 6 HA PRO 6 3.029 13.707 2.861 23 HB2 PRO 6 HB2 PRO 6 2.552 15.351 4.967 24 HB3 PRO 6 HB3 PRO 6 1.718 15.510 3.416 25 HG2 PRO 6 HG2 PRO 6 0.780 14.215 5.947 26 HG3 PRO 6 HG3 PRO 6 -0.108 15.274 4.836 27 HD2 PRO 6 HD2 PRO 6 -0.390 12.581 4.821 28 HD3 PRO 6 HD3 PRO 6 -0.537 13.564 3.350 29 H ALA 7 H ALA 7 1.997 12.292 5.934 30 HA ALA 7 HA ALA 7 4.247 12.670 7.479 31 HB1 ALA 7 HB1 ALA 7 3.595 10.560 8.640 32 HB2 ALA 7 HB2 ALA 7 2.275 11.711 8.431 33 HB3 ALA 7 HB3 ALA 7 2.389 10.300 7.381 34 H CYS 8 H CYS 8 3.706 10.328 4.914 35 HA CYS 8 HA CYS 8 5.822 8.593 5.337 36 HB2 CYS 8 HB2 CYS 8 4.182 8.117 3.643 37 HB3 CYS 8 HB3 CYS 8 4.607 9.572 2.750 38 H GLY 9 H GLY 9 5.797 11.722 3.679 39 HA2 GLY 9 HA2 GLY 9 8.392 12.434 4.359 40 HA3 GLY 9 HA3 GLY 9 8.498 11.609 2.810 41 HA PRO 10 HA PRO 10 7.740 16.108 2.000 42 HB2 PRO 10 HB2 PRO 10 9.630 16.317 0.063 43 HB3 PRO 10 HB3 PRO 10 9.990 16.519 1.782 44 HG2 PRO 10 HG2 PRO 10 10.391 14.123 0.033 45 HG3 PRO 10 HG3 PRO 10 11.475 14.810 1.256 46 HD2 PRO 10 HD2 PRO 10 9.919 12.646 1.737 47 HD3 PRO 10 HD3 PRO 10 10.338 13.822 3.000 48 H ASN 11 H ASN 11 8.185 13.338 -0.139 49 HA ASN 11 HA ASN 11 5.973 14.322 -1.787 50 HB2 ASN 11 HB2 ASN 11 7.867 14.984 -3.079 51 HB3 ASN 11 HB3 ASN 11 8.676 13.443 -2.805 52 HD21 ASN 11 HD21 ASN 11 5.342 14.153 -3.748 53 HD22 ASN 11 HD22 ASN 11 5.398 13.291 -5.244 54 H TYR 12 H TYR 12 4.568 12.773 -2.416 55 HA TYR 12 HA TYR 12 5.296 9.977 -1.827 56 HB2 TYR 12 HB2 TYR 12 2.634 9.866 -1.609 57 HB3 TYR 12 HB3 TYR 12 3.674 10.266 -0.246 58 HD1 TYR 12 HD1 TYR 12 3.370 12.270 0.909 59 HD2 TYR 12 HD2 TYR 12 1.677 11.832 -2.969 60 HE1 TYR 12 HE1 TYR 12 2.185 14.408 1.191 61 HE2 TYR 12 HE2 TYR 12 0.489 13.969 -2.699 62 HH TYR 12 HH TYR 12 1.236 16.233 -0.582 63 H GLY 13 H GLY 13 3.556 12.180 -3.947 64 HA2 GLY 13 HA2 GLY 13 2.706 11.917 -6.066 65 HA3 GLY 13 HA3 GLY 13 4.062 10.825 -6.297 66 H CYS 14 H CYS 14 1.065 10.651 -4.375 67 HA CYS 14 HA CYS 14 0.688 7.904 -4.728 68 HB2 CYS 14 HB2 CYS 14 -0.433 9.472 -3.041 69 HB3 CYS 14 HB3 CYS 14 -1.565 9.867 -4.330 70 H GLY 15 H GLY 15 0.307 6.822 -6.539 71 HA2 GLY 15 HA2 GLY 15 -1.072 8.199 -8.744 72 HA3 GLY 15 HA3 GLY 15 -0.027 6.795 -8.914 73 H THR 16 H THR 16 -2.690 7.126 -9.959 74 HA THR 16 HA THR 16 -4.579 5.729 -8.369 75 HB THR 16 HB THR 16 -4.526 6.081 -11.373 76 HG1 THR 16 HG1 THR 16 -5.410 7.686 -9.234 77 HG21 THR 16 HG21 THR 16 -6.994 5.749 -11.158 78 HG22 THR 16 HG22 THR 16 -6.733 5.267 -9.482 79 HG23 THR 16 HG23 THR 16 -6.042 4.311 -10.792 80 H SER 17 H SER 17 -2.263 4.729 -10.830 81 HA SER 17 HA SER 17 -3.189 1.989 -10.802 82 HB2 SER 17 HB2 SER 17 -0.594 2.873 -12.031 83 HB3 SER 17 HB3 SER 17 -1.698 1.602 -12.560 84 HG SER 17 HG SER 17 -1.617 4.163 -13.316 85 H CYS 18 H CYS 18 -0.529 3.864 -9.472 86 HA CYS 18 HA CYS 18 1.148 1.834 -8.609 87 HB2 CYS 18 HB2 CYS 18 1.344 4.455 -8.465 88 HB3 CYS 18 HB3 CYS 18 0.683 4.211 -6.851 89 H SER 19 H SER 19 0.858 0.194 -7.264 90 HA SER 19 HA SER 19 -1.095 0.487 -5.078 91 HB2 SER 19 HB2 SER 19 -0.754 -1.733 -7.059 92 HB3 SER 19 HB3 SER 19 -1.319 -2.112 -5.433 93 HG SER 19 HG SER 19 -3.179 -1.627 -6.332 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 3.211 -0.397 0.424 2 HA2 GLY 1 HA2 GLY 1 1.856 -0.550 -2.055 3 HA3 GLY 1 HA3 GLY 1 0.839 0.272 -0.880 4 H CYS 2 H CYS 2 1.313 1.845 -2.830 5 HA CYS 2 HA CYS 2 3.822 3.252 -2.635 6 HB2 CYS 2 HB2 CYS 2 1.328 4.099 -4.117 7 HB3 CYS 2 HB3 CYS 2 2.974 4.658 -4.395 8 H CYS 3 H CYS 3 4.258 5.054 -1.509 9 HA CYS 3 HA CYS 3 2.653 5.864 0.626 10 HB2 CYS 3 HB2 CYS 3 5.092 6.916 -0.707 11 HB3 CYS 3 HB3 CYS 3 4.211 8.027 0.336 12 H CYS 4 H CYS 4 1.303 7.609 0.971 13 HA CYS 4 HA CYS 4 0.609 9.272 -1.341 14 HB2 CYS 4 HB2 CYS 4 -1.392 7.790 0.379 15 HB3 CYS 4 HB3 CYS 4 -1.799 8.976 -0.856 16 H ASN 5 H ASN 5 0.294 8.711 2.136 17 HA ASN 5 HA ASN 5 -0.661 11.329 2.731 18 HB2 ASN 5 HB2 ASN 5 0.042 10.675 5.106 19 HB3 ASN 5 HB3 ASN 5 -1.181 9.673 4.331 20 HD21 ASN 5 HD21 ASN 5 -0.902 7.637 4.851 21 HD22 ASN 5 HD22 ASN 5 0.611 6.809 4.960 22 HA PRO 6 HA PRO 6 3.026 13.706 2.855 23 HB2 PRO 6 HB2 PRO 6 2.548 15.355 4.957 24 HB3 PRO 6 HB3 PRO 6 1.715 15.510 3.406 25 HG2 PRO 6 HG2 PRO 6 0.776 14.219 5.939 26 HG3 PRO 6 HG3 PRO 6 -0.113 15.274 4.826 27 HD2 PRO 6 HD2 PRO 6 -0.393 12.581 4.816 28 HD3 PRO 6 HD3 PRO 6 -0.539 13.562 3.343 29 H ALA 7 H ALA 7 1.994 12.295 5.929 30 HA ALA 7 HA ALA 7 4.244 12.678 7.474 31 HB1 ALA 7 HB1 ALA 7 2.497 11.729 8.630 32 HB2 ALA 7 HB2 ALA 7 2.180 10.526 7.379 33 HB3 ALA 7 HB3 ALA 7 3.575 10.346 8.442 34 H CYS 8 H CYS 8 3.704 10.331 4.914 35 HA CYS 8 HA CYS 8 5.819 8.595 5.341 36 HB2 CYS 8 HB2 CYS 8 4.180 8.121 3.644 37 HB3 CYS 8 HB3 CYS 8 4.610 9.575 2.750 38 H GLY 9 H GLY 9 5.800 11.721 3.672 39 HA2 GLY 9 HA2 GLY 9 8.395 12.430 4.358 40 HA3 GLY 9 HA3 GLY 9 8.501 11.607 2.809 41 HA PRO 10 HA PRO 10 7.750 16.107 2.000 42 HB2 PRO 10 HB2 PRO 10 9.638 16.311 0.060 43 HB3 PRO 10 HB3 PRO 10 10.001 16.512 1.779 44 HG2 PRO 10 HG2 PRO 10 10.394 14.115 0.028 45 HG3 PRO 10 HG3 PRO 10 11.482 14.800 1.250 46 HD2 PRO 10 HD2 PRO 10 9.921 12.640 1.734 47 HD3 PRO 10 HD3 PRO 10 10.343 13.815 2.996 48 H ASN 11 H ASN 11 8.184 13.335 -0.138 49 HA ASN 11 HA ASN 11 5.971 14.324 -1.783 50 HB2 ASN 11 HB2 ASN 11 7.864 14.986 -3.077 51 HB3 ASN 11 HB3 ASN 11 8.671 13.443 -2.808 52 HD21 ASN 11 HD21 ASN 11 5.338 14.162 -3.743 53 HD22 ASN 11 HD22 ASN 11 5.387 13.302 -5.240 54 H TYR 12 H TYR 12 4.566 12.776 -2.415 55 HA TYR 12 HA TYR 12 5.292 9.980 -1.827 56 HB2 TYR 12 HB2 TYR 12 2.629 9.871 -1.610 57 HB3 TYR 12 HB3 TYR 12 3.668 10.269 -0.246 58 HD1 TYR 12 HD1 TYR 12 3.365 12.275 0.907 59 HD2 TYR 12 HD2 TYR 12 1.672 11.836 -2.972 60 HE1 TYR 12 HE1 TYR 12 2.183 14.413 1.188 61 HE2 TYR 12 HE2 TYR 12 0.485 13.973 -2.701 62 HH TYR 12 HH TYR 12 0.224 15.786 -1.428 63 H GLY 13 H GLY 13 3.553 12.184 -3.947 64 HA2 GLY 13 HA2 GLY 13 2.704 11.922 -6.066 65 HA3 GLY 13 HA3 GLY 13 4.062 10.829 -6.297 66 H CYS 14 H CYS 14 1.062 10.656 -4.378 67 HA CYS 14 HA CYS 14 0.686 7.908 -4.738 68 HB2 CYS 14 HB2 CYS 14 -0.428 9.471 -3.040 69 HB3 CYS 14 HB3 CYS 14 -1.567 9.867 -4.323 70 H GLY 15 H GLY 15 0.266 6.820 -6.536 71 HA2 GLY 15 HA2 GLY 15 -1.105 8.213 -8.738 72 HA3 GLY 15 HA3 GLY 15 -0.071 6.802 -8.914 73 H THR 16 H THR 16 -2.705 7.110 -9.979 74 HA THR 16 HA THR 16 -4.619 5.753 -8.380 75 HB THR 16 HB THR 16 -4.636 5.867 -11.395 76 HG1 THR 16 HG1 THR 16 -4.646 7.968 -11.101 77 HG21 THR 16 HG21 THR 16 -6.992 6.063 -9.547 78 HG22 THR 16 HG22 THR 16 -6.323 4.494 -9.998 79 HG23 THR 16 HG23 THR 16 -6.946 5.578 -11.242 80 H SER 17 H SER 17 -2.299 4.706 -10.822 81 HA SER 17 HA SER 17 -3.236 1.968 -10.735 82 HB2 SER 17 HB2 SER 17 -0.914 3.286 -12.158 83 HB3 SER 17 HB3 SER 17 -1.281 1.564 -12.276 84 HG SER 17 HG SER 17 -2.207 2.809 -13.983 85 H CYS 18 H CYS 18 -0.557 3.868 -9.482 86 HA CYS 18 HA CYS 18 1.117 1.833 -8.597 87 HB2 CYS 18 HB2 CYS 18 1.365 4.453 -8.559 88 HB3 CYS 18 HB3 CYS 18 0.738 4.286 -6.923 89 H SER 19 H SER 19 0.617 0.166 -7.347 90 HA SER 19 HA SER 19 -1.005 0.651 -4.941 91 HB2 SER 19 HB2 SER 19 -2.340 -1.253 -5.290 92 HB3 SER 19 HB3 SER 19 -2.244 -0.516 -6.888 93 HG SER 19 HG SER 19 -0.296 -2.029 -7.048 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 2.887 -0.511 0.746 2 HA2 GLY 1 HA2 GLY 1 2.521 -0.610 -2.156 3 HA3 GLY 1 HA3 GLY 1 1.429 0.133 -0.997 4 H CYS 2 H CYS 2 1.576 1.796 -2.809 5 HA CYS 2 HA CYS 2 3.971 3.422 -2.792 6 HB2 CYS 2 HB2 CYS 2 1.335 4.044 -4.127 7 HB3 CYS 2 HB3 CYS 2 2.916 4.716 -4.511 8 H CYS 3 H CYS 3 4.316 5.154 -1.560 9 HA CYS 3 HA CYS 3 2.636 5.842 0.572 10 HB2 CYS 3 HB2 CYS 3 5.080 7.010 -0.663 11 HB3 CYS 3 HB3 CYS 3 4.147 8.040 0.418 12 H CYS 4 H CYS 4 1.319 7.637 0.955 13 HA CYS 4 HA CYS 4 0.604 9.290 -1.357 14 HB2 CYS 4 HB2 CYS 4 -1.373 7.778 0.363 15 HB3 CYS 4 HB3 CYS 4 -1.806 8.993 -0.835 16 H ASN 5 H ASN 5 0.300 8.729 2.122 17 HA ASN 5 HA ASN 5 -0.650 11.352 2.712 18 HB2 ASN 5 HB2 ASN 5 0.035 10.693 5.091 19 HB3 ASN 5 HB3 ASN 5 -1.189 9.697 4.308 20 HD21 ASN 5 HD21 ASN 5 -0.924 7.629 4.665 21 HD22 ASN 5 HD22 ASN 5 0.584 6.804 4.848 22 HA PRO 6 HA PRO 6 3.053 13.703 2.855 23 HB2 PRO 6 HB2 PRO 6 2.574 15.357 4.954 24 HB3 PRO 6 HB3 PRO 6 1.751 15.516 3.398 25 HG2 PRO 6 HG2 PRO 6 0.790 14.234 5.926 26 HG3 PRO 6 HG3 PRO 6 -0.085 15.295 4.807 27 HD2 PRO 6 HD2 PRO 6 -0.384 12.604 4.797 28 HD3 PRO 6 HD3 PRO 6 -0.515 13.585 3.323 29 H ALA 7 H ALA 7 1.995 12.289 5.917 30 HA ALA 7 HA ALA 7 4.232 12.661 7.482 31 HB1 ALA 7 HB1 ALA 7 2.958 9.994 7.634 32 HB2 ALA 7 HB2 ALA 7 3.316 11.157 8.912 33 HB3 ALA 7 HB3 ALA 7 1.915 11.397 7.868 34 H CYS 8 H CYS 8 3.711 10.327 4.907 35 HA CYS 8 HA CYS 8 5.831 8.596 5.350 36 HB2 CYS 8 HB2 CYS 8 4.173 8.126 3.655 37 HB3 CYS 8 HB3 CYS 8 4.643 9.555 2.741 38 H GLY 9 H GLY 9 5.794 11.721 3.689 39 HA2 GLY 9 HA2 GLY 9 8.386 12.443 4.359 40 HA3 GLY 9 HA3 GLY 9 8.495 11.614 2.814 41 HA PRO 10 HA PRO 10 7.713 16.109 1.995 42 HB2 PRO 10 HB2 PRO 10 9.614 16.329 0.069 43 HB3 PRO 10 HB3 PRO 10 9.961 16.538 1.791 44 HG2 PRO 10 HG2 PRO 10 10.391 14.142 0.047 45 HG3 PRO 10 HG3 PRO 10 11.464 14.839 1.276 46 HD2 PRO 10 HD2 PRO 10 9.921 12.665 1.752 47 HD3 PRO 10 HD3 PRO 10 10.322 13.845 3.014 48 H ASN 11 H ASN 11 8.197 13.342 -0.139 49 HA ASN 11 HA ASN 11 5.996 14.317 -1.810 50 HB2 ASN 11 HB2 ASN 11 8.700 14.289 -2.629 51 HB3 ASN 11 HB3 ASN 11 7.912 12.954 -3.463 52 HD21 ASN 11 HD21 ASN 11 5.392 13.942 -3.830 53 HD22 ASN 11 HD22 ASN 11 5.450 15.304 -4.892 54 H TYR 12 H TYR 12 4.578 12.773 -2.413 55 HA TYR 12 HA TYR 12 5.292 9.977 -1.812 56 HB2 TYR 12 HB2 TYR 12 2.629 9.884 -1.585 57 HB3 TYR 12 HB3 TYR 12 3.676 10.282 -0.227 58 HD1 TYR 12 HD1 TYR 12 3.392 12.295 0.917 59 HD2 TYR 12 HD2 TYR 12 1.680 11.850 -2.952 60 HE1 TYR 12 HE1 TYR 12 2.222 14.441 1.194 61 HE2 TYR 12 HE2 TYR 12 0.506 13.995 -2.686 62 HH TYR 12 HH TYR 12 0.492 15.717 0.356 63 H GLY 13 H GLY 13 3.558 12.180 -3.937 64 HA2 GLY 13 HA2 GLY 13 2.699 11.912 -6.052 65 HA3 GLY 13 HA3 GLY 13 4.048 10.810 -6.283 66 H CYS 14 H CYS 14 1.057 10.662 -4.348 67 HA CYS 14 HA CYS 14 0.658 7.921 -4.660 68 HB2 CYS 14 HB2 CYS 14 -0.480 9.515 -3.021 69 HB3 CYS 14 HB3 CYS 14 -1.578 9.920 -4.336 70 H GLY 15 H GLY 15 0.211 6.764 -6.408 71 HA2 GLY 15 HA2 GLY 15 -1.065 8.110 -8.695 72 HA3 GLY 15 HA3 GLY 15 -0.066 6.667 -8.794 73 H THR 16 H THR 16 -2.706 7.060 -9.892 74 HA THR 16 HA THR 16 -4.571 5.628 -8.236 75 HB THR 16 HB THR 16 -4.850 6.160 -11.193 76 HG1 THR 16 HG1 THR 16 -5.489 8.179 -10.720 77 HG21 THR 16 HG21 THR 16 -6.561 5.093 -9.092 78 HG22 THR 16 HG22 THR 16 -6.754 5.034 -10.844 79 HG23 THR 16 HG23 THR 16 -7.296 6.450 -9.945 80 H SER 17 H SER 17 -2.504 4.885 -10.995 81 HA SER 17 HA SER 17 -3.500 2.351 -11.616 82 HB2 SER 17 HB2 SER 17 -1.792 3.744 -12.912 83 HB3 SER 17 HB3 SER 17 -0.582 3.096 -11.805 84 HG SER 17 HG SER 17 -1.568 1.960 -13.977 85 H CYS 18 H CYS 18 -1.199 3.388 -9.168 86 HA CYS 18 HA CYS 18 -0.276 0.830 -8.415 87 HB2 CYS 18 HB2 CYS 18 0.924 2.847 -7.772 88 HB3 CYS 18 HB3 CYS 18 -0.451 3.394 -6.819 89 H SER 19 H SER 19 -2.978 2.813 -7.300 90 HA SER 19 HA SER 19 -3.764 1.337 -5.086 91 HB2 SER 19 HB2 SER 19 -5.471 2.853 -7.073 92 HB3 SER 19 HB3 SER 19 -6.047 2.261 -5.516 93 HG SER 19 HG SER 19 -4.362 4.387 -6.104 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 0.543 -0.896 0.148 2 HA2 GLY 1 HA2 GLY 1 1.705 -0.539 -2.220 3 HA3 GLY 1 HA3 GLY 1 0.339 0.457 -1.741 4 H CYS 2 H CYS 2 1.377 1.985 -3.259 5 HA CYS 2 HA CYS 2 3.874 3.186 -2.572 6 HB2 CYS 2 HB2 CYS 2 1.683 4.306 -4.331 7 HB3 CYS 2 HB3 CYS 2 3.376 4.788 -4.321 8 H CYS 3 H CYS 3 4.304 5.066 -1.492 9 HA CYS 3 HA CYS 3 2.647 5.836 0.609 10 HB2 CYS 3 HB2 CYS 3 5.090 6.951 -0.669 11 HB3 CYS 3 HB3 CYS 3 4.176 8.022 0.388 12 H CYS 4 H CYS 4 1.321 7.614 0.971 13 HA CYS 4 HA CYS 4 0.610 9.261 -1.347 14 HB2 CYS 4 HB2 CYS 4 -1.374 7.761 0.376 15 HB3 CYS 4 HB3 CYS 4 -1.800 8.964 -0.838 16 H ASN 5 H ASN 5 0.298 8.710 2.133 17 HA ASN 5 HA ASN 5 -0.658 11.331 2.718 18 HB2 ASN 5 HB2 ASN 5 0.037 10.682 5.097 19 HB3 ASN 5 HB3 ASN 5 -1.185 9.679 4.321 20 HD21 ASN 5 HD21 ASN 5 -0.911 7.628 4.764 21 HD22 ASN 5 HD22 ASN 5 0.602 6.805 4.914 22 HA PRO 6 HA PRO 6 3.033 13.701 2.845 23 HB2 PRO 6 HB2 PRO 6 2.551 15.357 4.941 24 HB3 PRO 6 HB3 PRO 6 1.723 15.509 3.387 25 HG2 PRO 6 HG2 PRO 6 0.775 14.228 5.921 26 HG3 PRO 6 HG3 PRO 6 -0.109 15.282 4.802 27 HD2 PRO 6 HD2 PRO 6 -0.393 12.589 4.800 28 HD3 PRO 6 HD3 PRO 6 -0.533 13.565 3.323 29 H ALA 7 H ALA 7 1.990 12.299 5.920 30 HA ALA 7 HA ALA 7 4.234 12.685 7.472 31 HB1 ALA 7 HB1 ALA 7 2.565 11.722 8.682 32 HB2 ALA 7 HB2 ALA 7 2.110 10.614 7.387 33 HB3 ALA 7 HB3 ALA 7 3.539 10.286 8.367 34 H CYS 8 H CYS 8 3.704 10.332 4.914 35 HA CYS 8 HA CYS 8 5.819 8.600 5.351 36 HB2 CYS 8 HB2 CYS 8 4.172 8.135 3.650 37 HB3 CYS 8 HB3 CYS 8 4.636 9.573 2.746 38 H GLY 9 H GLY 9 5.801 11.716 3.664 39 HA2 GLY 9 HA2 GLY 9 8.397 12.429 4.359 40 HA3 GLY 9 HA3 GLY 9 8.503 11.605 2.809 41 HA PRO 10 HA PRO 10 7.751 16.105 2.000 42 HB2 PRO 10 HB2 PRO 10 9.642 16.309 0.063 43 HB3 PRO 10 HB3 PRO 10 10.002 16.511 1.781 44 HG2 PRO 10 HG2 PRO 10 10.399 14.115 0.032 45 HG3 PRO 10 HG3 PRO 10 11.485 14.799 1.255 46 HD2 PRO 10 HD2 PRO 10 9.925 12.639 1.737 47 HD3 PRO 10 HD3 PRO 10 10.345 13.814 3.000 48 H ASN 11 H ASN 11 8.190 13.333 -0.139 49 HA ASN 11 HA ASN 11 5.982 14.324 -1.788 50 HB2 ASN 11 HB2 ASN 11 7.879 14.976 -3.079 51 HB3 ASN 11 HB3 ASN 11 8.681 13.432 -2.804 52 HD21 ASN 11 HD21 ASN 11 5.350 14.153 -3.748 53 HD22 ASN 11 HD22 ASN 11 5.403 13.289 -5.243 54 H TYR 12 H TYR 12 4.570 12.780 -2.414 55 HA TYR 12 HA TYR 12 5.286 9.982 -1.821 56 HB2 TYR 12 HB2 TYR 12 2.624 9.883 -1.604 57 HB3 TYR 12 HB3 TYR 12 3.664 10.280 -0.242 58 HD1 TYR 12 HD1 TYR 12 3.370 12.289 0.909 59 HD2 TYR 12 HD2 TYR 12 1.672 11.849 -2.969 60 HE1 TYR 12 HE1 TYR 12 2.194 14.432 1.186 61 HE2 TYR 12 HE2 TYR 12 0.494 13.991 -2.702 62 HH TYR 12 HH TYR 12 1.142 16.128 -0.046 63 H GLY 13 H GLY 13 3.553 12.189 -3.945 64 HA2 GLY 13 HA2 GLY 13 2.703 11.926 -6.063 65 HA3 GLY 13 HA3 GLY 13 4.056 10.830 -6.293 66 H CYS 14 H CYS 14 1.059 10.666 -4.372 67 HA CYS 14 HA CYS 14 0.674 7.920 -4.723 68 HB2 CYS 14 HB2 CYS 14 -0.439 9.487 -3.034 69 HB3 CYS 14 HB3 CYS 14 -1.571 9.890 -4.321 70 H GLY 15 H GLY 15 0.273 6.833 -6.526 71 HA2 GLY 15 HA2 GLY 15 -1.074 8.218 -8.744 72 HA3 GLY 15 HA3 GLY 15 -0.068 6.784 -8.895 73 H THR 16 H THR 16 -2.629 7.046 -10.037 74 HA THR 16 HA THR 16 -4.653 5.852 -8.459 75 HB THR 16 HB THR 16 -4.528 5.621 -11.457 76 HG1 THR 16 HG1 THR 16 -4.564 7.726 -11.572 77 HG21 THR 16 HG21 THR 16 -6.401 4.504 -10.496 78 HG22 THR 16 HG22 THR 16 -7.001 6.022 -11.165 79 HG23 THR 16 HG23 THR 16 -6.743 5.864 -9.427 80 H SER 17 H SER 17 -2.302 4.533 -10.756 81 HA SER 17 HA SER 17 -3.245 1.892 -10.781 82 HB2 SER 17 HB2 SER 17 -0.325 2.571 -11.033 83 HB3 SER 17 HB3 SER 17 -1.247 1.325 -11.877 84 HG SER 17 HG SER 17 -0.792 3.147 -13.205 85 H CYS 18 H CYS 18 -1.068 3.578 -8.597 86 HA CYS 18 HA CYS 18 -0.176 1.285 -7.185 87 HB2 CYS 18 HB2 CYS 18 -0.147 4.235 -6.664 88 HB3 CYS 18 HB3 CYS 18 0.273 3.122 -5.365 89 H SER 19 H SER 19 -2.765 3.632 -6.597 90 HA SER 19 HA SER 19 -3.689 2.058 -4.312 91 HB2 SER 19 HB2 SER 19 -3.807 4.262 -3.654 92 HB3 SER 19 HB3 SER 19 -4.154 4.841 -5.283 93 HG SER 19 HG SER 19 -5.878 4.540 -3.394 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 0.349 -1.576 -0.966 2 HA2 GLY 1 HA2 GLY 1 0.304 0.248 -2.894 3 HA3 GLY 1 HA3 GLY 1 -0.285 0.650 -1.288 4 H CYS 2 H CYS 2 1.061 2.279 -3.399 5 HA CYS 2 HA CYS 2 3.651 2.939 -2.342 6 HB2 CYS 2 HB2 CYS 2 1.976 4.513 -4.307 7 HB3 CYS 2 HB3 CYS 2 3.712 4.651 -4.047 8 H CYS 3 H CYS 3 4.233 5.049 -1.516 9 HA CYS 3 HA CYS 3 2.648 5.871 0.636 10 HB2 CYS 3 HB2 CYS 3 5.092 6.890 -0.712 11 HB3 CYS 3 HB3 CYS 3 4.224 8.022 0.320 12 H CYS 4 H CYS 4 1.288 7.598 0.973 13 HA CYS 4 HA CYS 4 0.608 9.275 -1.335 14 HB2 CYS 4 HB2 CYS 4 -1.407 7.810 0.382 15 HB3 CYS 4 HB3 CYS 4 -1.798 8.983 -0.869 16 H ASN 5 H ASN 5 0.288 8.708 2.141 17 HA ASN 5 HA ASN 5 -0.664 11.324 2.743 18 HB2 ASN 5 HB2 ASN 5 0.046 10.666 5.114 19 HB3 ASN 5 HB3 ASN 5 -1.179 9.664 4.341 20 HD21 ASN 5 HD21 ASN 5 -0.897 7.608 4.755 21 HD22 ASN 5 HD22 ASN 5 0.619 6.789 4.898 22 HA PRO 6 HA PRO 6 3.020 13.705 2.860 23 HB2 PRO 6 HB2 PRO 6 2.545 15.351 4.965 24 HB3 PRO 6 HB3 PRO 6 1.708 15.507 3.417 25 HG2 PRO 6 HG2 PRO 6 0.778 14.212 5.950 26 HG3 PRO 6 HG3 PRO 6 -0.116 15.268 4.840 27 HD2 PRO 6 HD2 PRO 6 -0.392 12.574 4.828 28 HD3 PRO 6 HD3 PRO 6 -0.543 13.557 3.357 29 H ALA 7 H ALA 7 1.998 12.296 5.940 30 HA ALA 7 HA ALA 7 4.252 12.679 7.476 31 HB1 ALA 7 HB1 ALA 7 3.217 10.007 7.852 32 HB2 ALA 7 HB2 ALA 7 3.151 11.403 8.928 33 HB3 ALA 7 HB3 ALA 7 1.916 11.187 7.688 34 H CYS 8 H CYS 8 3.705 10.331 4.918 35 HA CYS 8 HA CYS 8 5.821 8.596 5.338 36 HB2 CYS 8 HB2 CYS 8 4.178 8.123 3.643 37 HB3 CYS 8 HB3 CYS 8 4.608 9.579 2.750 38 H GLY 9 H GLY 9 5.800 11.722 3.672 39 HA2 GLY 9 HA2 GLY 9 8.396 12.430 4.356 40 HA3 GLY 9 HA3 GLY 9 8.500 11.608 2.806 41 HA PRO 10 HA PRO 10 7.750 16.108 2.000 42 HB2 PRO 10 HB2 PRO 10 9.637 16.312 0.058 43 HB3 PRO 10 HB3 PRO 10 10.001 16.513 1.776 44 HG2 PRO 10 HG2 PRO 10 10.391 14.116 0.023 45 HG3 PRO 10 HG3 PRO 10 11.481 14.799 1.245 46 HD2 PRO 10 HD2 PRO 10 9.920 12.640 1.729 47 HD3 PRO 10 HD3 PRO 10 10.344 13.815 2.992 48 H ASN 11 H ASN 11 8.178 13.335 -0.139 49 HA ASN 11 HA ASN 11 5.963 14.324 -1.779 50 HB2 ASN 11 HB2 ASN 11 7.849 14.993 -3.077 51 HB3 ASN 11 HB3 ASN 11 8.663 13.454 -2.811 52 HD21 ASN 11 HD21 ASN 11 5.327 14.170 -3.745 53 HD22 ASN 11 HD22 ASN 11 5.378 13.307 -5.242 54 H TYR 12 H TYR 12 4.562 12.772 -2.418 55 HA TYR 12 HA TYR 12 5.294 9.978 -1.832 56 HB2 TYR 12 HB2 TYR 12 2.631 9.862 -1.618 57 HB3 TYR 12 HB3 TYR 12 3.668 10.260 -0.253 58 HD1 TYR 12 HD1 TYR 12 3.358 12.263 0.905 59 HD2 TYR 12 HD2 TYR 12 1.674 11.830 -2.978 60 HE1 TYR 12 HE1 TYR 12 2.171 14.398 1.188 61 HE2 TYR 12 HE2 TYR 12 0.483 13.964 -2.706 62 HH TYR 12 HH TYR 12 1.171 16.142 -0.168 63 H GLY 13 H GLY 13 3.555 12.180 -3.952 64 HA2 GLY 13 HA2 GLY 13 2.709 11.919 -6.073 65 HA3 GLY 13 HA3 GLY 13 4.068 10.828 -6.302 66 H CYS 14 H CYS 14 1.065 10.651 -4.387 67 HA CYS 14 HA CYS 14 0.694 7.901 -4.758 68 HB2 CYS 14 HB2 CYS 14 -0.412 9.457 -3.046 69 HB3 CYS 14 HB3 CYS 14 -1.561 9.851 -4.319 70 H GLY 15 H GLY 15 0.239 6.815 -6.550 71 HA2 GLY 15 HA2 GLY 15 -1.093 8.229 -8.758 72 HA3 GLY 15 HA3 GLY 15 -0.118 6.775 -8.916 73 H THR 16 H THR 16 -2.479 6.786 -10.176 74 HA THR 16 HA THR 16 -4.647 5.813 -8.606 75 HB THR 16 HB THR 16 -4.377 5.252 -11.542 76 HG1 THR 16 HG1 THR 16 -4.624 7.325 -12.018 77 HG21 THR 16 HG21 THR 16 -6.623 5.746 -9.613 78 HG22 THR 16 HG22 THR 16 -6.373 4.378 -10.699 79 HG23 THR 16 HG23 THR 16 -6.854 5.946 -11.349 80 H SER 17 H SER 17 -2.208 4.257 -10.656 81 HA SER 17 HA SER 17 -3.207 1.626 -10.348 82 HB2 SER 17 HB2 SER 17 -0.298 2.144 -10.838 83 HB3 SER 17 HB3 SER 17 -1.357 0.935 -11.564 84 HG SER 17 HG SER 17 -0.658 3.139 -12.665 85 H CYS 18 H CYS 18 -0.895 3.563 -8.542 86 HA CYS 18 HA CYS 18 0.142 1.494 -6.926 87 HB2 CYS 18 HB2 CYS 18 0.086 4.471 -6.801 88 HB3 CYS 18 HB3 CYS 18 0.493 3.597 -5.328 89 H SER 19 H SER 19 -2.560 3.741 -6.472 90 HA SER 19 HA SER 19 -3.221 2.679 -3.881 91 HB2 SER 19 HB2 SER 19 -5.070 4.228 -3.911 92 HB3 SER 19 HB3 SER 19 -3.655 5.055 -4.563 93 HG SER 19 HG SER 19 -5.835 3.953 -6.002 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 4.107 -1.955 -1.069 2 HA2 GLY 1 HA2 GLY 1 2.515 -0.332 -0.383 3 HA3 GLY 1 HA3 GLY 1 3.864 -0.098 0.720 4 H CYS 2 H CYS 2 2.195 1.133 -2.087 5 HA CYS 2 HA CYS 2 3.942 3.288 -2.647 6 HB2 CYS 2 HB2 CYS 2 0.981 3.022 -3.210 7 HB3 CYS 2 HB3 CYS 2 2.056 4.211 -3.937 8 H CYS 3 H CYS 3 4.109 5.286 -1.807 9 HA CYS 3 HA CYS 3 2.643 5.851 0.633 10 HB2 CYS 3 HB2 CYS 3 5.094 6.893 -0.682 11 HB3 CYS 3 HB3 CYS 3 4.206 8.014 0.346 12 H CYS 4 H CYS 4 1.295 7.597 0.974 13 HA CYS 4 HA CYS 4 0.612 9.262 -1.340 14 HB2 CYS 4 HB2 CYS 4 -1.393 7.781 0.375 15 HB3 CYS 4 HB3 CYS 4 -1.799 8.975 -0.853 16 H ASN 5 H ASN 5 0.289 8.706 2.138 17 HA ASN 5 HA ASN 5 -0.662 11.325 2.729 18 HB2 ASN 5 HB2 ASN 5 0.041 10.673 5.105 19 HB3 ASN 5 HB3 ASN 5 -1.182 9.669 4.331 20 HD21 ASN 5 HD21 ASN 5 -0.902 7.633 4.841 21 HD22 ASN 5 HD22 ASN 5 0.611 6.806 4.957 22 HA PRO 6 HA PRO 6 3.026 13.700 2.848 23 HB2 PRO 6 HB2 PRO 6 2.548 15.353 4.948 24 HB3 PRO 6 HB3 PRO 6 1.715 15.505 3.396 25 HG2 PRO 6 HG2 PRO 6 0.777 14.220 5.932 26 HG3 PRO 6 HG3 PRO 6 -0.112 15.274 4.817 27 HD2 PRO 6 HD2 PRO 6 -0.392 12.580 4.812 28 HD3 PRO 6 HD3 PRO 6 -0.539 13.559 3.337 29 H ALA 7 H ALA 7 1.993 12.298 5.928 30 HA ALA 7 HA ALA 7 4.242 12.683 7.471 31 HB1 ALA 7 HB1 ALA 7 2.059 10.708 7.418 32 HB2 ALA 7 HB2 ALA 7 3.516 10.215 8.281 33 HB3 ALA 7 HB3 ALA 7 2.673 11.691 8.748 34 H CYS 8 H CYS 8 3.706 10.333 4.914 35 HA CYS 8 HA CYS 8 5.821 8.599 5.343 36 HB2 CYS 8 HB2 CYS 8 4.176 8.130 3.645 37 HB3 CYS 8 HB3 CYS 8 4.624 9.576 2.746 38 H GLY 9 H GLY 9 5.801 11.721 3.668 39 HA2 GLY 9 HA2 GLY 9 8.397 12.432 4.357 40 HA3 GLY 9 HA3 GLY 9 8.503 11.608 2.808 41 HA PRO 10 HA PRO 10 7.751 16.108 1.998 42 HB2 PRO 10 HB2 PRO 10 9.640 16.312 0.060 43 HB3 PRO 10 HB3 PRO 10 10.002 16.514 1.777 44 HG2 PRO 10 HG2 PRO 10 10.395 14.117 0.028 45 HG3 PRO 10 HG3 PRO 10 11.484 14.801 1.249 46 HD2 PRO 10 HD2 PRO 10 9.922 12.641 1.733 47 HD3 PRO 10 HD3 PRO 10 10.346 13.817 2.995 48 H ASN 11 H ASN 11 8.183 13.335 -0.138 49 HA ASN 11 HA ASN 11 5.973 14.324 -1.784 50 HB2 ASN 11 HB2 ASN 11 7.869 14.983 -3.077 51 HB3 ASN 11 HB3 ASN 11 8.671 13.437 -2.808 52 HD21 ASN 11 HD21 ASN 11 5.340 14.167 -3.743 53 HD22 ASN 11 HD22 ASN 11 5.386 13.307 -5.241 54 H TYR 12 H TYR 12 4.567 12.776 -2.419 55 HA TYR 12 HA TYR 12 5.288 9.980 -1.826 56 HB2 TYR 12 HB2 TYR 12 2.626 9.875 -1.611 57 HB3 TYR 12 HB3 TYR 12 3.665 10.273 -0.247 58 HD1 TYR 12 HD1 TYR 12 3.363 12.278 0.907 59 HD2 TYR 12 HD2 TYR 12 1.675 11.843 -2.974 60 HE1 TYR 12 HE1 TYR 12 2.183 14.417 1.187 61 HE2 TYR 12 HE2 TYR 12 0.491 13.982 -2.705 62 HH TYR 12 HH TYR 12 -0.107 15.582 -1.233 63 H GLY 13 H GLY 13 3.555 12.186 -3.949 64 HA2 GLY 13 HA2 GLY 13 2.707 11.923 -6.070 65 HA3 GLY 13 HA3 GLY 13 4.062 10.828 -6.297 66 H CYS 14 H CYS 14 1.062 10.662 -4.380 67 HA CYS 14 HA CYS 14 0.680 7.914 -4.741 68 HB2 CYS 14 HB2 CYS 14 -0.426 9.473 -3.037 69 HB3 CYS 14 HB3 CYS 14 -1.565 9.880 -4.316 70 H GLY 15 H GLY 15 0.200 6.809 -6.514 71 HA2 GLY 15 HA2 GLY 15 -1.086 8.218 -8.750 72 HA3 GLY 15 HA3 GLY 15 -0.151 6.736 -8.877 73 H THR 16 H THR 16 -2.506 6.796 -10.152 74 HA THR 16 HA THR 16 -4.683 5.862 -8.548 75 HB THR 16 HB THR 16 -4.461 5.438 -11.519 76 HG1 THR 16 HG1 THR 16 -4.510 7.528 -11.808 77 HG21 THR 16 HG21 THR 16 -6.923 6.345 -10.124 78 HG22 THR 16 HG22 THR 16 -6.406 4.678 -9.872 79 HG23 THR 16 HG23 THR 16 -6.738 5.262 -11.503 80 H SER 17 H SER 17 -2.288 4.327 -10.654 81 HA SER 17 HA SER 17 -3.299 1.732 -10.636 82 HB2 SER 17 HB2 SER 17 -0.952 1.027 -11.114 83 HB3 SER 17 HB3 SER 17 -1.498 2.360 -12.132 84 HG SER 17 HG SER 17 0.611 2.690 -11.254 85 H CYS 18 H CYS 18 -1.320 3.428 -8.278 86 HA CYS 18 HA CYS 18 -0.760 1.133 -6.679 87 HB2 CYS 18 HB2 CYS 18 -0.481 4.096 -6.299 88 HB3 CYS 18 HB3 CYS 18 -0.264 3.010 -4.930 89 H SER 19 H SER 19 -1.569 0.710 -4.545 90 HA SER 19 HA SER 19 -4.114 1.936 -3.828 91 HB2 SER 19 HB2 SER 19 -4.691 0.007 -5.281 92 HB3 SER 19 HB3 SER 19 -3.824 -1.059 -4.174 93 HG SER 19 HG SER 19 -6.308 -0.471 -4.009 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 1.905 -0.223 1.311 2 HA2 GLY 1 HA2 GLY 1 2.506 -0.655 -1.507 3 HA3 GLY 1 HA3 GLY 1 1.065 0.109 -0.853 4 H CYS 2 H CYS 2 1.669 1.539 -2.767 5 HA CYS 2 HA CYS 2 3.887 3.267 -2.638 6 HB2 CYS 2 HB2 CYS 2 1.200 3.547 -3.991 7 HB3 CYS 2 HB3 CYS 2 2.501 4.717 -4.185 8 H CYS 3 H CYS 3 4.246 5.157 -1.618 9 HA CYS 3 HA CYS 3 2.654 5.862 0.615 10 HB2 CYS 3 HB2 CYS 3 5.092 6.937 -0.704 11 HB3 CYS 3 HB3 CYS 3 4.201 8.034 0.347 12 H CYS 4 H CYS 4 1.307 7.611 0.970 13 HA CYS 4 HA CYS 4 0.603 9.274 -1.341 14 HB2 CYS 4 HB2 CYS 4 -1.390 7.787 0.384 15 HB3 CYS 4 HB3 CYS 4 -1.802 8.974 -0.849 16 H ASN 5 H ASN 5 0.296 8.711 2.138 17 HA ASN 5 HA ASN 5 -0.660 11.327 2.735 18 HB2 ASN 5 HB2 ASN 5 0.045 10.671 5.110 19 HB3 ASN 5 HB3 ASN 5 -1.178 9.669 4.334 20 HD21 ASN 5 HD21 ASN 5 -0.880 7.571 4.452 21 HD22 ASN 5 HD22 ASN 5 0.627 6.768 4.715 22 HA PRO 6 HA PRO 6 3.026 13.706 2.857 23 HB2 PRO 6 HB2 PRO 6 2.547 15.354 4.960 24 HB3 PRO 6 HB3 PRO 6 1.713 15.509 3.409 25 HG2 PRO 6 HG2 PRO 6 0.778 14.217 5.943 26 HG3 PRO 6 HG3 PRO 6 -0.113 15.273 4.830 27 HD2 PRO 6 HD2 PRO 6 -0.391 12.579 4.820 28 HD3 PRO 6 HD3 PRO 6 -0.539 13.560 3.348 29 H ALA 7 H ALA 7 1.996 12.297 5.934 30 HA ALA 7 HA ALA 7 4.247 12.680 7.476 31 HB1 ALA 7 HB1 ALA 7 2.411 11.737 8.560 32 HB2 ALA 7 HB2 ALA 7 2.258 10.439 7.376 33 HB3 ALA 7 HB3 ALA 7 3.596 10.431 8.526 34 H CYS 8 H CYS 8 3.706 10.330 4.918 35 HA CYS 8 HA CYS 8 5.821 8.596 5.344 36 HB2 CYS 8 HB2 CYS 8 4.181 8.122 3.648 37 HB3 CYS 8 HB3 CYS 8 4.612 9.576 2.753 38 H GLY 9 H GLY 9 5.801 11.719 3.669 39 HA2 GLY 9 HA2 GLY 9 8.397 12.430 4.356 40 HA3 GLY 9 HA3 GLY 9 8.502 11.607 2.807 41 HA PRO 10 HA PRO 10 7.750 16.105 1.997 42 HB2 PRO 10 HB2 PRO 10 9.636 16.309 0.055 43 HB3 PRO 10 HB3 PRO 10 10.000 16.511 1.773 44 HG2 PRO 10 HG2 PRO 10 10.391 14.113 0.023 45 HG3 PRO 10 HG3 PRO 10 11.481 14.797 1.244 46 HD2 PRO 10 HD2 PRO 10 9.920 12.639 1.730 47 HD3 PRO 10 HD3 PRO 10 10.345 13.814 2.991 48 H ASN 11 H ASN 11 8.180 13.332 -0.140 49 HA ASN 11 HA ASN 11 5.965 14.321 -1.782 50 HB2 ASN 11 HB2 ASN 11 7.851 14.983 -3.082 51 HB3 ASN 11 HB3 ASN 11 8.666 13.447 -2.808 52 HD21 ASN 11 HD21 ASN 11 5.332 14.156 -3.751 53 HD22 ASN 11 HD22 ASN 11 5.385 13.286 -5.243 54 H TYR 12 H TYR 12 4.561 12.771 -2.414 55 HA TYR 12 HA TYR 12 5.286 9.977 -1.825 56 HB2 TYR 12 HB2 TYR 12 2.624 9.868 -1.608 57 HB3 TYR 12 HB3 TYR 12 3.663 10.265 -0.245 58 HD1 TYR 12 HD1 TYR 12 3.363 12.272 0.908 59 HD2 TYR 12 HD2 TYR 12 1.668 11.834 -2.969 60 HE1 TYR 12 HE1 TYR 12 2.181 14.410 1.190 61 HE2 TYR 12 HE2 TYR 12 0.482 13.971 -2.699 62 HH TYR 12 HH TYR 12 0.010 15.655 -1.330 63 H GLY 13 H GLY 13 3.548 12.180 -3.946 64 HA2 GLY 13 HA2 GLY 13 2.700 11.917 -6.065 65 HA3 GLY 13 HA3 GLY 13 4.056 10.823 -6.295 66 H CYS 14 H CYS 14 1.057 10.652 -4.375 67 HA CYS 14 HA CYS 14 0.679 7.905 -4.732 68 HB2 CYS 14 HB2 CYS 14 -0.435 9.472 -3.037 69 HB3 CYS 14 HB3 CYS 14 -1.574 9.866 -4.321 70 H GLY 15 H GLY 15 0.129 6.767 -6.464 71 HA2 GLY 15 HA2 GLY 15 -1.127 8.177 -8.724 72 HA3 GLY 15 HA3 GLY 15 -0.192 6.694 -8.843 73 H THR 16 H THR 16 -2.671 6.947 -10.046 74 HA THR 16 HA THR 16 -4.748 5.868 -8.403 75 HB THR 16 HB THR 16 -4.635 5.851 -11.421 76 HG1 THR 16 HG1 THR 16 -5.993 7.867 -10.931 77 HG21 THR 16 HG21 THR 16 -7.216 6.291 -10.724 78 HG22 THR 16 HG22 THR 16 -6.687 5.269 -9.388 79 HG23 THR 16 HG23 THR 16 -6.540 4.695 -11.048 80 H SER 17 H SER 17 -2.528 4.532 -10.820 81 HA SER 17 HA SER 17 -3.571 1.936 -10.910 82 HB2 SER 17 HB2 SER 17 -1.289 1.289 -11.724 83 HB3 SER 17 HB3 SER 17 -1.987 2.665 -12.579 84 HG SER 17 HG SER 17 -0.484 3.928 -11.787 85 H CYS 18 H CYS 18 -1.291 3.449 -8.703 86 HA CYS 18 HA CYS 18 -1.042 0.926 -7.220 87 HB2 CYS 18 HB2 CYS 18 0.993 2.348 -7.949 88 HB3 CYS 18 HB3 CYS 18 0.522 3.429 -6.641 89 H SER 19 H SER 19 -2.477 0.658 -5.651 90 HA SER 19 HA SER 19 -3.555 3.009 -4.272 91 HB2 SER 19 HB2 SER 19 -5.195 1.445 -5.225 92 HB3 SER 19 HB3 SER 19 -4.512 0.135 -4.264 93 HG SER 19 HG SER 19 -5.454 2.490 -3.036 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 2.890 -1.155 0.924 2 HA2 GLY 1 HA2 GLY 1 3.496 -0.680 -1.453 3 HA3 GLY 1 HA3 GLY 1 1.880 -0.118 -1.051 4 H CYS 2 H CYS 2 1.980 1.468 -2.680 5 HA CYS 2 HA CYS 2 4.041 3.425 -2.787 6 HB2 CYS 2 HB2 CYS 2 1.233 3.702 -3.866 7 HB3 CYS 2 HB3 CYS 2 2.682 4.533 -4.422 8 H CYS 3 H CYS 3 4.314 5.217 -1.628 9 HA CYS 3 HA CYS 3 2.636 5.810 0.581 10 HB2 CYS 3 HB2 CYS 3 5.078 7.004 -0.634 11 HB3 CYS 3 HB3 CYS 3 4.129 8.020 0.446 12 H CYS 4 H CYS 4 1.341 7.637 0.965 13 HA CYS 4 HA CYS 4 0.612 9.263 -1.360 14 HB2 CYS 4 HB2 CYS 4 -1.351 7.735 0.362 15 HB3 CYS 4 HB3 CYS 4 -1.803 8.967 -0.812 16 H ASN 5 H ASN 5 0.304 8.722 2.123 17 HA ASN 5 HA ASN 5 -0.648 11.349 2.695 18 HB2 ASN 5 HB2 ASN 5 0.028 10.702 5.079 19 HB3 ASN 5 HB3 ASN 5 -1.194 9.704 4.300 20 HD21 ASN 5 HD21 ASN 5 -0.928 7.686 4.903 21 HD22 ASN 5 HD22 ASN 5 0.576 6.842 5.003 22 HA PRO 6 HA PRO 6 3.056 13.699 2.839 23 HB2 PRO 6 HB2 PRO 6 2.571 15.362 4.928 24 HB3 PRO 6 HB3 PRO 6 1.752 15.514 3.369 25 HG2 PRO 6 HG2 PRO 6 0.783 14.245 5.901 26 HG3 PRO 6 HG3 PRO 6 -0.089 15.301 4.774 27 HD2 PRO 6 HD2 PRO 6 -0.388 12.610 4.776 28 HD3 PRO 6 HD3 PRO 6 -0.515 13.584 3.297 29 H ALA 7 H ALA 7 1.989 12.293 5.902 30 HA ALA 7 HA ALA 7 4.220 12.674 7.473 31 HB1 ALA 7 HB1 ALA 7 3.549 10.386 8.477 32 HB2 ALA 7 HB2 ALA 7 2.407 11.729 8.566 33 HB3 ALA 7 HB3 ALA 7 2.197 10.473 7.347 34 H CYS 8 H CYS 8 3.708 10.330 4.904 35 HA CYS 8 HA CYS 8 5.828 8.600 5.360 36 HB2 CYS 8 HB2 CYS 8 4.168 8.137 3.658 37 HB3 CYS 8 HB3 CYS 8 4.663 9.554 2.737 38 H GLY 9 H GLY 9 5.796 11.715 3.673 39 HA2 GLY 9 HA2 GLY 9 8.389 12.438 4.358 40 HA3 GLY 9 HA3 GLY 9 8.498 11.610 2.812 41 HA PRO 10 HA PRO 10 7.723 16.107 1.998 42 HB2 PRO 10 HB2 PRO 10 9.626 16.327 0.075 43 HB3 PRO 10 HB3 PRO 10 9.971 16.533 1.797 44 HG2 PRO 10 HG2 PRO 10 10.402 14.139 0.051 45 HG3 PRO 10 HG3 PRO 10 11.473 14.834 1.282 46 HD2 PRO 10 HD2 PRO 10 9.927 12.660 1.753 47 HD3 PRO 10 HD3 PRO 10 10.328 13.840 3.019 48 H ASN 11 H ASN 11 8.202 13.339 -0.136 49 HA ASN 11 HA ASN 11 6.007 14.322 -1.811 50 HB2 ASN 11 HB2 ASN 11 8.712 14.285 -2.625 51 HB3 ASN 11 HB3 ASN 11 7.924 12.949 -3.458 52 HD21 ASN 11 HD21 ASN 11 5.409 13.932 -3.845 53 HD22 ASN 11 HD22 ASN 11 5.471 15.295 -4.905 54 H TYR 12 H TYR 12 4.583 12.784 -2.410 55 HA TYR 12 HA TYR 12 5.286 9.985 -1.810 56 HB2 TYR 12 HB2 TYR 12 2.624 9.901 -1.582 57 HB3 TYR 12 HB3 TYR 12 3.672 10.298 -0.225 58 HD1 TYR 12 HD1 TYR 12 3.396 12.317 0.916 59 HD2 TYR 12 HD2 TYR 12 1.677 11.866 -2.951 60 HE1 TYR 12 HE1 TYR 12 2.232 14.465 1.188 61 HE2 TYR 12 HE2 TYR 12 0.509 14.014 -2.688 62 HH TYR 12 HH TYR 12 1.284 16.289 -0.644 63 H GLY 13 H GLY 13 3.555 12.192 -3.934 64 HA2 GLY 13 HA2 GLY 13 2.694 11.927 -6.048 65 HA3 GLY 13 HA3 GLY 13 4.043 10.824 -6.280 66 H CYS 14 H CYS 14 1.053 10.679 -4.345 67 HA CYS 14 HA CYS 14 0.650 7.938 -4.660 68 HB2 CYS 14 HB2 CYS 14 -0.482 9.527 -3.014 69 HB3 CYS 14 HB3 CYS 14 -1.581 9.939 -4.327 70 H GLY 15 H GLY 15 0.218 6.792 -6.419 71 HA2 GLY 15 HA2 GLY 15 -1.081 8.141 -8.692 72 HA3 GLY 15 HA3 GLY 15 -0.067 6.709 -8.804 73 H THR 16 H THR 16 -2.856 7.291 -9.717 74 HA THR 16 HA THR 16 -4.722 5.891 -8.159 75 HB THR 16 HB THR 16 -4.866 5.948 -11.161 76 HG1 THR 16 HG1 THR 16 -5.417 8.073 -11.100 77 HG21 THR 16 HG21 THR 16 -6.680 4.804 -10.105 78 HG22 THR 16 HG22 THR 16 -7.283 6.379 -10.619 79 HG23 THR 16 HG23 THR 16 -6.884 6.097 -8.924 80 H SER 17 H SER 17 -2.433 4.810 -10.600 81 HA SER 17 HA SER 17 -3.465 2.103 -10.577 82 HB2 SER 17 HB2 SER 17 -2.621 2.955 -12.681 83 HB3 SER 17 HB3 SER 17 -1.063 3.335 -11.947 84 HG SER 17 HG SER 17 -0.664 1.409 -12.797 85 H CYS 18 H CYS 18 -0.732 3.891 -9.277 86 HA CYS 18 HA CYS 18 0.880 1.802 -8.424 87 HB2 CYS 18 HB2 CYS 18 1.120 4.447 -8.283 88 HB3 CYS 18 HB3 CYS 18 0.565 4.167 -6.635 89 H SER 19 H SER 19 -1.676 3.470 -6.585 90 HA SER 19 HA SER 19 -1.507 1.733 -4.345 91 HB2 SER 19 HB2 SER 19 -3.211 2.997 -3.423 92 HB3 SER 19 HB3 SER 19 -2.568 4.137 -4.605 93 HG SER 19 HG SER 19 -5.027 3.279 -4.430 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 2.237 -1.745 0.739 2 HA2 GLY 1 HA2 GLY 1 2.194 -0.797 -1.574 3 HA3 GLY 1 HA3 GLY 1 1.017 -0.035 -0.515 4 H CYS 2 H CYS 2 1.689 1.417 -2.605 5 HA CYS 2 HA CYS 2 3.998 3.021 -2.358 6 HB2 CYS 2 HB2 CYS 2 1.371 3.665 -3.716 7 HB3 CYS 2 HB3 CYS 2 2.892 4.517 -3.967 8 H CYS 3 H CYS 3 4.130 5.271 -1.779 9 HA CYS 3 HA CYS 3 2.640 5.843 0.637 10 HB2 CYS 3 HB2 CYS 3 5.091 6.899 -0.670 11 HB3 CYS 3 HB3 CYS 3 4.199 8.007 0.368 12 H CYS 4 H CYS 4 1.296 7.594 0.981 13 HA CYS 4 HA CYS 4 0.613 9.256 -1.337 14 HB2 CYS 4 HB2 CYS 4 -1.393 7.779 0.382 15 HB3 CYS 4 HB3 CYS 4 -1.797 8.970 -0.852 16 H ASN 5 H ASN 5 0.288 8.705 2.142 17 HA ASN 5 HA ASN 5 -0.663 11.323 2.731 18 HB2 ASN 5 HB2 ASN 5 0.040 10.674 5.107 19 HB3 ASN 5 HB3 ASN 5 -1.183 9.670 4.335 20 HD21 ASN 5 HD21 ASN 5 -0.904 7.625 4.807 21 HD22 ASN 5 HD22 ASN 5 0.609 6.802 4.938 22 HA PRO 6 HA PRO 6 3.025 13.699 2.848 23 HB2 PRO 6 HB2 PRO 6 2.546 15.355 4.945 24 HB3 PRO 6 HB3 PRO 6 1.714 15.504 3.393 25 HG2 PRO 6 HG2 PRO 6 0.775 14.222 5.930 26 HG3 PRO 6 HG3 PRO 6 -0.114 15.275 4.813 27 HD2 PRO 6 HD2 PRO 6 -0.394 12.581 4.812 28 HD3 PRO 6 HD3 PRO 6 -0.540 13.558 3.336 29 H ALA 7 H ALA 7 1.993 12.299 5.927 30 HA ALA 7 HA ALA 7 4.241 12.686 7.472 31 HB1 ALA 7 HB1 ALA 7 3.592 10.572 8.635 32 HB2 ALA 7 HB2 ALA 7 2.276 11.729 8.435 33 HB3 ALA 7 HB3 ALA 7 2.378 10.319 7.380 34 H CYS 8 H CYS 8 3.705 10.330 4.918 35 HA CYS 8 HA CYS 8 5.821 8.599 5.349 36 HB2 CYS 8 HB2 CYS 8 4.170 8.140 3.647 37 HB3 CYS 8 HB3 CYS 8 4.639 9.576 2.743 38 H GLY 9 H GLY 9 5.802 11.715 3.658 39 HA2 GLY 9 HA2 GLY 9 8.399 12.427 4.355 40 HA3 GLY 9 HA3 GLY 9 8.503 11.606 2.804 41 HA PRO 10 HA PRO 10 7.753 16.106 1.999 42 HB2 PRO 10 HB2 PRO 10 9.640 16.311 0.058 43 HB3 PRO 10 HB3 PRO 10 10.004 16.510 1.776 44 HG2 PRO 10 HG2 PRO 10 10.394 14.115 0.023 45 HG3 PRO 10 HG3 PRO 10 11.484 14.797 1.244 46 HD2 PRO 10 HD2 PRO 10 9.923 12.638 1.728 47 HD3 PRO 10 HD3 PRO 10 10.347 13.812 2.992 48 H ASN 11 H ASN 11 8.184 13.335 -0.142 49 HA ASN 11 HA ASN 11 5.971 14.326 -1.784 50 HB2 ASN 11 HB2 ASN 11 7.864 14.986 -3.079 51 HB3 ASN 11 HB3 ASN 11 8.668 13.443 -2.812 52 HD21 ASN 11 HD21 ASN 11 5.336 14.171 -3.746 53 HD22 ASN 11 HD22 ASN 11 5.384 13.310 -5.243 54 H TYR 12 H TYR 12 4.565 12.778 -2.419 55 HA TYR 12 HA TYR 12 5.287 9.982 -1.829 56 HB2 TYR 12 HB2 TYR 12 2.625 9.875 -1.616 57 HB3 TYR 12 HB3 TYR 12 3.663 10.272 -0.251 58 HD1 TYR 12 HD1 TYR 12 3.360 12.276 0.904 59 HD2 TYR 12 HD2 TYR 12 1.674 11.844 -2.978 60 HE1 TYR 12 HE1 TYR 12 2.179 14.416 1.186 61 HE2 TYR 12 HE2 TYR 12 0.489 13.982 -2.708 62 HH TYR 12 HH TYR 12 0.065 15.695 -1.368 63 H GLY 13 H GLY 13 3.554 12.188 -3.953 64 HA2 GLY 13 HA2 GLY 13 2.707 11.926 -6.073 65 HA3 GLY 13 HA3 GLY 13 4.063 10.831 -6.302 66 H CYS 14 H CYS 14 1.062 10.663 -4.385 67 HA CYS 14 HA CYS 14 0.683 7.914 -4.755 68 HB2 CYS 14 HB2 CYS 14 -0.416 9.467 -3.038 69 HB3 CYS 14 HB3 CYS 14 -1.563 9.873 -4.310 70 H GLY 15 H GLY 15 0.186 6.815 -6.527 71 HA2 GLY 15 HA2 GLY 15 -1.128 8.237 -8.743 72 HA3 GLY 15 HA3 GLY 15 -0.166 6.775 -8.898 73 H THR 16 H THR 16 -2.633 6.962 -10.093 74 HA THR 16 HA THR 16 -4.708 5.863 -8.468 75 HB THR 16 HB THR 16 -4.571 5.733 -11.480 76 HG1 THR 16 HG1 THR 16 -5.690 7.863 -9.970 77 HG21 THR 16 HG21 THR 16 -6.623 4.889 -11.294 78 HG22 THR 16 HG22 THR 16 -7.143 6.348 -10.450 79 HG23 THR 16 HG23 THR 16 -6.512 4.978 -9.537 80 H SER 17 H SER 17 -2.325 4.528 -10.700 81 HA SER 17 HA SER 17 -3.312 1.922 -10.884 82 HB2 SER 17 HB2 SER 17 -1.592 2.453 -12.390 83 HB3 SER 17 HB3 SER 17 -0.551 3.094 -11.120 84 HG SER 17 HG SER 17 -0.550 0.660 -12.115 85 H CYS 18 H CYS 18 -1.319 3.461 -8.429 86 HA CYS 18 HA CYS 18 -1.216 0.945 -6.922 87 HB2 CYS 18 HB2 CYS 18 0.839 2.510 -7.418 88 HB3 CYS 18 HB3 CYS 18 0.208 3.432 -6.056 89 H SER 19 H SER 19 -1.539 1.097 -4.553 90 HA SER 19 HA SER 19 -3.986 2.529 -4.004 91 HB2 SER 19 HB2 SER 19 -2.436 0.867 -2.023 92 HB3 SER 19 HB3 SER 19 -4.168 1.192 -2.060 93 HG SER 19 HG SER 19 -3.470 -0.932 -2.842 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 4.203 -1.670 0.561 2 HA2 GLY 1 HA2 GLY 1 3.106 -0.863 -1.339 3 HA3 GLY 1 HA3 GLY 1 2.102 -0.180 -0.068 4 H CYS 2 H CYS 2 1.828 1.280 -2.100 5 HA CYS 2 HA CYS 2 3.917 3.199 -2.553 6 HB2 CYS 2 HB2 CYS 2 1.008 3.310 -3.377 7 HB3 CYS 2 HB3 CYS 2 2.312 4.301 -4.022 8 H CYS 3 H CYS 3 4.118 5.238 -1.761 9 HA CYS 3 HA CYS 3 2.644 5.854 0.649 10 HB2 CYS 3 HB2 CYS 3 5.092 6.875 -0.690 11 HB3 CYS 3 HB3 CYS 3 4.218 8.006 0.338 12 H CYS 4 H CYS 4 1.292 7.591 0.983 13 HA CYS 4 HA CYS 4 0.613 9.257 -1.333 14 HB2 CYS 4 HB2 CYS 4 -1.400 7.789 0.384 15 HB3 CYS 4 HB3 CYS 4 -1.796 8.970 -0.860 16 H ASN 5 H ASN 5 0.287 8.702 2.144 17 HA ASN 5 HA ASN 5 -0.666 11.319 2.737 18 HB2 ASN 5 HB2 ASN 5 0.044 10.669 5.112 19 HB3 ASN 5 HB3 ASN 5 -1.181 9.665 4.341 20 HD21 ASN 5 HD21 ASN 5 -0.899 7.623 4.827 21 HD22 ASN 5 HD22 ASN 5 0.615 6.800 4.949 22 HA PRO 6 HA PRO 6 3.019 13.701 2.850 23 HB2 PRO 6 HB2 PRO 6 2.541 15.354 4.951 24 HB3 PRO 6 HB3 PRO 6 1.705 15.505 3.401 25 HG2 PRO 6 HG2 PRO 6 0.773 14.217 5.938 26 HG3 PRO 6 HG3 PRO 6 -0.119 15.269 4.824 27 HD2 PRO 6 HD2 PRO 6 -0.395 12.576 4.819 28 HD3 PRO 6 HD3 PRO 6 -0.546 13.554 3.345 29 H ALA 7 H ALA 7 1.994 12.298 5.931 30 HA ALA 7 HA ALA 7 4.246 12.686 7.470 31 HB1 ALA 7 HB1 ALA 7 3.440 11.054 8.886 32 HB2 ALA 7 HB2 ALA 7 1.982 11.519 8.008 33 HB3 ALA 7 HB3 ALA 7 2.848 10.048 7.564 34 H CYS 8 H CYS 8 3.704 10.330 4.918 35 HA CYS 8 HA CYS 8 5.819 8.598 5.342 36 HB2 CYS 8 HB2 CYS 8 4.174 8.134 3.642 37 HB3 CYS 8 HB3 CYS 8 4.623 9.581 2.746 38 H GLY 9 H GLY 9 5.803 11.718 3.662 39 HA2 GLY 9 HA2 GLY 9 8.399 12.427 4.355 40 HA3 GLY 9 HA3 GLY 9 8.504 11.606 2.805 41 HA PRO 10 HA PRO 10 7.758 16.106 2.000 42 HB2 PRO 10 HB2 PRO 10 9.643 16.308 0.056 43 HB3 PRO 10 HB3 PRO 10 10.010 16.508 1.775 44 HG2 PRO 10 HG2 PRO 10 10.394 14.111 0.021 45 HG3 PRO 10 HG3 PRO 10 11.486 14.792 1.241 46 HD2 PRO 10 HD2 PRO 10 9.922 12.635 1.726 47 HD3 PRO 10 HD3 PRO 10 10.350 13.808 2.988 48 H ASN 11 H ASN 11 8.180 13.335 -0.141 49 HA ASN 11 HA ASN 11 5.965 14.327 -1.778 50 HB2 ASN 11 HB2 ASN 11 7.852 14.994 -3.076 51 HB3 ASN 11 HB3 ASN 11 8.664 13.453 -2.812 52 HD21 ASN 11 HD21 ASN 11 5.330 14.179 -3.745 53 HD22 ASN 11 HD22 ASN 11 5.377 13.316 -5.242 54 H TYR 12 H TYR 12 4.563 12.778 -2.420 55 HA TYR 12 HA TYR 12 5.290 9.982 -1.832 56 HB2 TYR 12 HB2 TYR 12 2.627 9.870 -1.621 57 HB3 TYR 12 HB3 TYR 12 3.664 10.267 -0.254 58 HD1 TYR 12 HD1 TYR 12 3.355 12.269 0.903 59 HD2 TYR 12 HD2 TYR 12 1.674 11.839 -2.982 60 HE1 TYR 12 HE1 TYR 12 2.170 14.406 1.185 61 HE2 TYR 12 HE2 TYR 12 0.486 13.975 -2.711 62 HH TYR 12 HH TYR 12 0.739 16.066 -1.364 63 H GLY 13 H GLY 13 3.556 12.188 -3.955 64 HA2 GLY 13 HA2 GLY 13 2.711 11.927 -6.076 65 HA3 GLY 13 HA3 GLY 13 4.069 10.834 -6.305 66 H CYS 14 H CYS 14 1.066 10.660 -4.391 67 HA CYS 14 HA CYS 14 0.693 7.909 -4.771 68 HB2 CYS 14 HB2 CYS 14 -0.403 9.457 -3.043 69 HB3 CYS 14 HB3 CYS 14 -1.558 9.859 -4.310 70 H GLY 15 H GLY 15 0.222 6.832 -6.562 71 HA2 GLY 15 HA2 GLY 15 -1.100 8.259 -8.766 72 HA3 GLY 15 HA3 GLY 15 -0.153 6.787 -8.922 73 H THR 16 H THR 16 -2.626 7.013 -10.111 74 HA THR 16 HA THR 16 -4.739 5.985 -8.520 75 HB THR 16 HB THR 16 -4.552 5.609 -11.500 76 HG1 THR 16 HG1 THR 16 -5.276 7.984 -10.094 77 HG21 THR 16 HG21 THR 16 -6.727 5.784 -9.461 78 HG22 THR 16 HG22 THR 16 -6.524 4.645 -10.792 79 HG23 THR 16 HG23 THR 16 -7.055 6.294 -11.116 80 H SER 17 H SER 17 -2.359 4.483 -10.664 81 HA SER 17 HA SER 17 -3.372 1.888 -10.683 82 HB2 SER 17 HB2 SER 17 -0.491 2.812 -10.803 83 HB3 SER 17 HB3 SER 17 -1.043 1.186 -11.206 84 HG SER 17 HG SER 17 -2.248 2.057 -12.897 85 H CYS 18 H CYS 18 -1.372 3.546 -8.315 86 HA CYS 18 HA CYS 18 -0.846 1.206 -6.749 87 HB2 CYS 18 HB2 CYS 18 -0.413 4.149 -6.388 88 HB3 CYS 18 HB3 CYS 18 -0.251 3.072 -5.004 89 H SER 19 H SER 19 -1.470 1.193 -4.370 90 HA SER 19 HA SER 19 -3.089 0.934 -2.792 91 HB2 SER 19 HB2 SER 19 -3.050 3.494 -3.075 92 HB3 SER 19 HB3 SER 19 -4.534 3.285 -4.006 93 HG SER 19 HG SER 19 -5.524 2.429 -2.206 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 2.672 -1.533 -0.177 2 HA2 GLY 1 HA2 GLY 1 1.508 -0.589 -2.025 3 HA3 GLY 1 HA3 GLY 1 0.447 0.239 -0.895 4 H CYS 2 H CYS 2 1.347 1.740 -2.876 5 HA CYS 2 HA CYS 2 3.852 3.002 -2.367 6 HB2 CYS 2 HB2 CYS 2 1.523 4.081 -3.964 7 HB3 CYS 2 HB3 CYS 2 3.208 4.577 -4.085 8 H CYS 3 H CYS 3 4.186 5.194 -1.686 9 HA CYS 3 HA CYS 3 2.648 5.866 0.629 10 HB2 CYS 3 HB2 CYS 3 5.092 6.904 -0.707 11 HB3 CYS 3 HB3 CYS 3 4.215 8.024 0.330 12 H CYS 4 H CYS 4 1.295 7.603 0.973 13 HA CYS 4 HA CYS 4 0.608 9.275 -1.337 14 HB2 CYS 4 HB2 CYS 4 -1.402 7.804 0.382 15 HB3 CYS 4 HB3 CYS 4 -1.799 8.981 -0.866 16 H ASN 5 H ASN 5 0.290 8.709 2.139 17 HA ASN 5 HA ASN 5 -0.663 11.325 2.741 18 HB2 ASN 5 HB2 ASN 5 0.045 10.668 5.113 19 HB3 ASN 5 HB3 ASN 5 -1.178 9.665 4.338 20 HD21 ASN 5 HD21 ASN 5 -0.890 7.579 4.560 21 HD22 ASN 5 HD22 ASN 5 0.621 6.772 4.780 22 HA PRO 6 HA PRO 6 3.023 13.705 2.859 23 HB2 PRO 6 HB2 PRO 6 2.546 15.351 4.964 24 HB3 PRO 6 HB3 PRO 6 1.710 15.507 3.416 25 HG2 PRO 6 HG2 PRO 6 0.778 14.213 5.949 26 HG3 PRO 6 HG3 PRO 6 -0.114 15.269 4.838 27 HD2 PRO 6 HD2 PRO 6 -0.392 12.576 4.825 28 HD3 PRO 6 HD3 PRO 6 -0.542 13.557 3.355 29 H ALA 7 H ALA 7 1.997 12.297 5.939 30 HA ALA 7 HA ALA 7 4.250 12.679 7.477 31 HB1 ALA 7 HB1 ALA 7 2.311 10.385 7.378 32 HB2 ALA 7 HB2 ALA 7 3.604 10.482 8.573 33 HB3 ALA 7 HB3 ALA 7 2.362 11.732 8.515 34 H CYS 8 H CYS 8 3.705 10.330 4.919 35 HA CYS 8 HA CYS 8 5.820 8.595 5.340 36 HB2 CYS 8 HB2 CYS 8 4.179 8.125 3.644 37 HB3 CYS 8 HB3 CYS 8 4.612 9.578 2.751 38 H GLY 9 H GLY 9 5.801 11.720 3.670 39 HA2 GLY 9 HA2 GLY 9 8.396 12.430 4.356 40 HA3 GLY 9 HA3 GLY 9 8.501 11.607 2.806 41 HA PRO 10 HA PRO 10 7.751 16.107 1.999 42 HB2 PRO 10 HB2 PRO 10 9.636 16.310 0.057 43 HB3 PRO 10 HB3 PRO 10 10.001 16.512 1.774 44 HG2 PRO 10 HG2 PRO 10 10.391 14.115 0.023 45 HG3 PRO 10 HG3 PRO 10 11.480 14.798 1.244 46 HD2 PRO 10 HD2 PRO 10 9.919 12.640 1.730 47 HD3 PRO 10 HD3 PRO 10 10.345 13.815 2.991 48 H ASN 11 H ASN 11 8.179 13.335 -0.140 49 HA ASN 11 HA ASN 11 5.963 14.324 -1.779 50 HB2 ASN 11 HB2 ASN 11 7.850 14.991 -3.079 51 HB3 ASN 11 HB3 ASN 11 8.663 13.452 -2.810 52 HD21 ASN 11 HD21 ASN 11 5.329 14.169 -3.748 53 HD22 ASN 11 HD22 ASN 11 5.380 13.304 -5.243 54 H TYR 12 H TYR 12 4.562 12.772 -2.416 55 HA TYR 12 HA TYR 12 5.293 9.978 -1.829 56 HB2 TYR 12 HB2 TYR 12 2.630 9.863 -1.616 57 HB3 TYR 12 HB3 TYR 12 3.667 10.261 -0.251 58 HD1 TYR 12 HD1 TYR 12 3.361 12.265 0.905 59 HD2 TYR 12 HD2 TYR 12 1.674 11.831 -2.977 60 HE1 TYR 12 HE1 TYR 12 2.174 14.400 1.189 61 HE2 TYR 12 HE2 TYR 12 0.483 13.967 -2.703 62 HH TYR 12 HH TYR 12 0.607 15.991 -1.414 63 H GLY 13 H GLY 13 3.554 12.181 -3.951 64 HA2 GLY 13 HA2 GLY 13 2.708 11.919 -6.071 65 HA3 GLY 13 HA3 GLY 13 4.066 10.827 -6.301 66 H CYS 14 H CYS 14 1.065 10.651 -4.385 67 HA CYS 14 HA CYS 14 0.691 7.902 -4.753 68 HB2 CYS 14 HB2 CYS 14 -0.417 9.460 -3.044 69 HB3 CYS 14 HB3 CYS 14 -1.563 9.855 -4.320 70 H GLY 15 H GLY 15 0.226 6.808 -6.536 71 HA2 GLY 15 HA2 GLY 15 -1.117 8.218 -8.743 72 HA3 GLY 15 HA3 GLY 15 -0.117 6.782 -8.912 73 H THR 16 H THR 16 -2.523 6.819 -10.145 74 HA THR 16 HA THR 16 -4.636 5.754 -8.559 75 HB THR 16 HB THR 16 -4.339 5.442 -11.547 76 HG1 THR 16 HG1 THR 16 -4.188 7.602 -11.314 77 HG21 THR 16 HG21 THR 16 -6.177 4.179 -10.803 78 HG22 THR 16 HG22 THR 16 -6.880 5.704 -11.344 79 HG23 THR 16 HG23 THR 16 -6.648 5.402 -9.622 80 H SER 17 H SER 17 -2.303 4.300 -10.814 81 HA SER 17 HA SER 17 -3.206 1.667 -10.662 82 HB2 SER 17 HB2 SER 17 -1.503 2.579 -12.281 83 HB3 SER 17 HB3 SER 17 -0.318 2.505 -10.978 84 HG SER 17 HG SER 17 -1.581 0.423 -12.364 85 H CYS 18 H CYS 18 -1.059 3.481 -8.552 86 HA CYS 18 HA CYS 18 -0.137 1.301 -7.009 87 HB2 CYS 18 HB2 CYS 18 -0.221 4.266 -6.661 88 HB3 CYS 18 HB3 CYS 18 0.124 3.270 -5.252 89 H SER 19 H SER 19 -0.952 0.285 -5.256 90 HA SER 19 HA SER 19 -3.707 0.283 -4.779 91 HB2 SER 19 HB2 SER 19 -3.022 -0.965 -2.633 92 HB3 SER 19 HB3 SER 19 -2.544 -1.677 -4.173 93 HG SER 19 HG SER 19 -0.989 -0.931 -2.151 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 0.820 -0.294 0.713 2 HA2 GLY 1 HA2 GLY 1 2.721 -0.805 -1.275 3 HA3 GLY 1 HA3 GLY 1 1.150 -0.064 -1.546 4 H CYS 2 H CYS 2 1.399 1.720 -2.705 5 HA CYS 2 HA CYS 2 3.827 3.256 -2.633 6 HB2 CYS 2 HB2 CYS 2 1.210 3.907 -4.004 7 HB3 CYS 2 HB3 CYS 2 2.778 4.637 -4.335 8 H CYS 3 H CYS 3 4.243 5.083 -1.545 9 HA CYS 3 HA CYS 3 2.649 5.863 0.633 10 HB2 CYS 3 HB2 CYS 3 5.093 6.905 -0.700 11 HB3 CYS 3 HB3 CYS 3 4.213 8.022 0.338 12 H CYS 4 H CYS 4 1.295 7.600 0.974 13 HA CYS 4 HA CYS 4 0.608 9.269 -1.338 14 HB2 CYS 4 HB2 CYS 4 -1.398 7.793 0.382 15 HB3 CYS 4 HB3 CYS 4 -1.800 8.976 -0.858 16 H ASN 5 H ASN 5 0.291 8.708 2.140 17 HA ASN 5 HA ASN 5 -0.662 11.325 2.737 18 HB2 ASN 5 HB2 ASN 5 0.045 10.670 5.110 19 HB3 ASN 5 HB3 ASN 5 -1.180 9.668 4.337 20 HD21 ASN 5 HD21 ASN 5 -0.900 7.621 4.800 21 HD22 ASN 5 HD22 ASN 5 0.615 6.799 4.929 22 HA PRO 6 HA PRO 6 3.024 13.704 2.855 23 HB2 PRO 6 HB2 PRO 6 2.547 15.353 4.959 24 HB3 PRO 6 HB3 PRO 6 1.711 15.507 3.408 25 HG2 PRO 6 HG2 PRO 6 0.777 14.216 5.942 26 HG3 PRO 6 HG3 PRO 6 -0.114 15.272 4.829 27 HD2 PRO 6 HD2 PRO 6 -0.392 12.578 4.821 28 HD3 PRO 6 HD3 PRO 6 -0.540 13.558 3.348 29 H ALA 7 H ALA 7 1.996 12.296 5.934 30 HA ALA 7 HA ALA 7 4.248 12.680 7.474 31 HB1 ALA 7 HB1 ALA 7 3.137 11.413 8.924 32 HB2 ALA 7 HB2 ALA 7 1.911 11.180 7.676 33 HB3 ALA 7 HB3 ALA 7 3.220 10.010 7.858 34 H CYS 8 H CYS 8 3.705 10.329 4.918 35 HA CYS 8 HA CYS 8 5.822 8.596 5.342 36 HB2 CYS 8 HB2 CYS 8 4.179 8.125 3.645 37 HB3 CYS 8 HB3 CYS 8 4.617 9.577 2.750 38 H GLY 9 H GLY 9 5.801 11.718 3.667 39 HA2 GLY 9 HA2 GLY 9 8.397 12.430 4.356 40 HA3 GLY 9 HA3 GLY 9 8.502 11.607 2.806 41 HA PRO 10 HA PRO 10 7.751 16.106 1.998 42 HB2 PRO 10 HB2 PRO 10 9.636 16.310 0.056 43 HB3 PRO 10 HB3 PRO 10 10.001 16.512 1.773 44 HG2 PRO 10 HG2 PRO 10 10.391 14.115 0.023 45 HG3 PRO 10 HG3 PRO 10 11.481 14.798 1.243 46 HD2 PRO 10 HD2 PRO 10 9.920 12.639 1.729 47 HD3 PRO 10 HD3 PRO 10 10.345 13.814 2.990 48 H ASN 11 H ASN 11 8.180 13.334 -0.141 49 HA ASN 11 HA ASN 11 5.964 14.323 -1.782 50 HB2 ASN 11 HB2 ASN 11 7.852 14.988 -3.081 51 HB3 ASN 11 HB3 ASN 11 8.665 13.449 -2.810 52 HD21 ASN 11 HD21 ASN 11 5.330 14.165 -3.749 53 HD22 ASN 11 HD22 ASN 11 5.381 13.298 -5.243 54 H TYR 12 H TYR 12 4.561 12.773 -2.417 55 HA TYR 12 HA TYR 12 5.289 9.978 -1.829 56 HB2 TYR 12 HB2 TYR 12 2.626 9.867 -1.613 57 HB3 TYR 12 HB3 TYR 12 3.665 10.265 -0.249 58 HD1 TYR 12 HD1 TYR 12 3.362 12.270 0.906 59 HD2 TYR 12 HD2 TYR 12 1.671 11.835 -2.974 60 HE1 TYR 12 HE1 TYR 12 2.177 14.406 1.188 61 HE2 TYR 12 HE2 TYR 12 0.482 13.970 -2.703 62 HH TYR 12 HH TYR 12 -0.348 15.349 -0.510 63 H GLY 13 H GLY 13 3.551 12.182 -3.950 64 HA2 GLY 13 HA2 GLY 13 2.704 11.920 -6.070 65 HA3 GLY 13 HA3 GLY 13 4.060 10.827 -6.300 66 H CYS 14 H CYS 14 1.060 10.654 -4.381 67 HA CYS 14 HA CYS 14 0.684 7.905 -4.746 68 HB2 CYS 14 HB2 CYS 14 -0.422 9.464 -3.039 69 HB3 CYS 14 HB3 CYS 14 -1.567 9.863 -4.316 70 H GLY 15 H GLY 15 0.144 6.781 -6.490 71 HA2 GLY 15 HA2 GLY 15 -1.119 8.199 -8.738 72 HA3 GLY 15 HA3 GLY 15 -0.194 6.709 -8.861 73 H THR 16 H THR 16 -2.604 6.869 -10.104 74 HA THR 16 HA THR 16 -4.742 5.889 -8.474 75 HB THR 16 HB THR 16 -4.529 5.713 -11.482 76 HG1 THR 16 HG1 THR 16 -4.722 7.811 -11.481 77 HG21 THR 16 HG21 THR 16 -6.825 5.407 -11.513 78 HG22 THR 16 HG22 THR 16 -7.044 6.110 -9.911 79 HG23 THR 16 HG23 THR 16 -6.360 4.494 -10.079 80 H SER 17 H SER 17 -2.362 4.430 -10.634 81 HA SER 17 HA SER 17 -3.409 1.844 -10.748 82 HB2 SER 17 HB2 SER 17 -1.387 2.932 -12.003 83 HB3 SER 17 HB3 SER 17 -0.445 2.305 -10.650 84 HG SER 17 HG SER 17 -1.745 0.951 -12.697 85 H CYS 18 H CYS 18 -1.407 3.415 -8.322 86 HA CYS 18 HA CYS 18 -0.880 1.036 -6.828 87 HB2 CYS 18 HB2 CYS 18 -0.623 3.971 -6.164 88 HB3 CYS 18 HB3 CYS 18 -0.181 2.692 -5.036 89 H SER 19 H SER 19 -1.674 0.565 -4.692 90 HA SER 19 HA SER 19 -4.510 0.786 -4.516 91 HB2 SER 19 HB2 SER 19 -2.772 -0.125 -2.239 92 HB3 SER 19 HB3 SER 19 -4.373 -0.696 -2.708 93 HG SER 19 HG SER 19 -3.483 -1.791 -4.407 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 5.117 -1.386 -0.921 2 HA2 GLY 1 HA2 GLY 1 2.336 -0.460 -0.693 3 HA3 GLY 1 HA3 GLY 1 3.578 -0.281 0.538 4 H CYS 2 H CYS 2 1.894 1.253 -1.924 5 HA CYS 2 HA CYS 2 3.932 3.206 -2.559 6 HB2 CYS 2 HB2 CYS 2 0.990 3.221 -3.261 7 HB3 CYS 2 HB3 CYS 2 2.243 4.223 -3.983 8 H CYS 3 H CYS 3 4.093 5.255 -1.788 9 HA CYS 3 HA CYS 3 2.642 5.848 0.652 10 HB2 CYS 3 HB2 CYS 3 5.090 6.870 -0.683 11 HB3 CYS 3 HB3 CYS 3 4.214 8.001 0.342 12 H CYS 4 H CYS 4 1.294 7.592 0.986 13 HA CYS 4 HA CYS 4 0.615 9.256 -1.331 14 HB2 CYS 4 HB2 CYS 4 -1.400 7.788 0.385 15 HB3 CYS 4 HB3 CYS 4 -1.794 8.970 -0.860 16 H ASN 5 H ASN 5 0.288 8.702 2.146 17 HA ASN 5 HA ASN 5 -0.665 11.320 2.738 18 HB2 ASN 5 HB2 ASN 5 0.044 10.670 5.113 19 HB3 ASN 5 HB3 ASN 5 -1.180 9.666 4.342 20 HD21 ASN 5 HD21 ASN 5 -0.899 7.593 4.659 21 HD22 ASN 5 HD22 ASN 5 0.614 6.780 4.846 22 HA PRO 6 HA PRO 6 3.019 13.702 2.851 23 HB2 PRO 6 HB2 PRO 6 2.541 15.353 4.952 24 HB3 PRO 6 HB3 PRO 6 1.705 15.505 3.402 25 HG2 PRO 6 HG2 PRO 6 0.774 14.217 5.939 26 HG3 PRO 6 HG3 PRO 6 -0.119 15.270 4.824 27 HD2 PRO 6 HD2 PRO 6 -0.394 12.575 4.820 28 HD3 PRO 6 HD3 PRO 6 -0.545 13.554 3.346 29 H ALA 7 H ALA 7 1.995 12.298 5.932 30 HA ALA 7 HA ALA 7 4.246 12.686 7.470 31 HB1 ALA 7 HB1 ALA 7 3.534 10.864 8.813 32 HB2 ALA 7 HB2 ALA 7 2.077 11.632 8.181 33 HB3 ALA 7 HB3 ALA 7 2.660 10.129 7.468 34 H CYS 8 H CYS 8 3.704 10.332 4.918 35 HA CYS 8 HA CYS 8 5.820 8.599 5.342 36 HB2 CYS 8 HB2 CYS 8 4.172 8.137 3.644 37 HB3 CYS 8 HB3 CYS 8 4.626 9.581 2.745 38 H GLY 9 H GLY 9 5.802 11.719 3.662 39 HA2 GLY 9 HA2 GLY 9 8.399 12.427 4.354 40 HA3 GLY 9 HA3 GLY 9 8.503 11.606 2.803 41 HA PRO 10 HA PRO 10 7.757 16.106 1.999 42 HB2 PRO 10 HB2 PRO 10 9.641 16.309 0.055 43 HB3 PRO 10 HB3 PRO 10 10.008 16.509 1.773 44 HG2 PRO 10 HG2 PRO 10 10.393 14.113 0.020 45 HG3 PRO 10 HG3 PRO 10 11.485 14.794 1.240 46 HD2 PRO 10 HD2 PRO 10 9.921 12.637 1.725 47 HD3 PRO 10 HD3 PRO 10 10.349 13.809 2.987 48 H ASN 11 H ASN 11 8.180 13.335 -0.142 49 HA ASN 11 HA ASN 11 5.964 14.328 -1.779 50 HB2 ASN 11 HB2 ASN 11 7.849 14.995 -3.080 51 HB3 ASN 11 HB3 ASN 11 8.663 13.457 -2.812 52 HD21 ASN 11 HD21 ASN 11 5.329 14.174 -3.749 53 HD22 ASN 11 HD22 ASN 11 5.378 13.308 -5.243 54 H TYR 12 H TYR 12 4.562 12.778 -2.420 55 HA TYR 12 HA TYR 12 5.290 9.982 -1.834 56 HB2 TYR 12 HB2 TYR 12 2.627 9.870 -1.622 57 HB3 TYR 12 HB3 TYR 12 3.663 10.267 -0.256 58 HD1 TYR 12 HD1 TYR 12 3.356 12.269 0.902 59 HD2 TYR 12 HD2 TYR 12 1.674 11.839 -2.982 60 HE1 TYR 12 HE1 TYR 12 2.170 14.406 1.185 61 HE2 TYR 12 HE2 TYR 12 0.485 13.975 -2.711 62 HH TYR 12 HH TYR 12 -0.154 15.390 0.003 63 H GLY 13 H GLY 13 3.555 12.187 -3.955 64 HA2 GLY 13 HA2 GLY 13 2.710 11.927 -6.077 65 HA3 GLY 13 HA3 GLY 13 4.067 10.834 -6.305 66 H CYS 14 H CYS 14 1.065 10.660 -4.392 67 HA CYS 14 HA CYS 14 0.692 7.909 -4.774 68 HB2 CYS 14 HB2 CYS 14 -0.401 9.454 -3.042 69 HB3 CYS 14 HB3 CYS 14 -1.558 9.858 -4.305 70 H GLY 15 H GLY 15 0.169 6.814 -6.541 71 HA2 GLY 15 HA2 GLY 15 -1.149 8.253 -8.745 72 HA3 GLY 15 HA3 GLY 15 -0.191 6.788 -8.912 73 H THR 16 H THR 16 -2.684 7.016 -10.081 74 HA THR 16 HA THR 16 -4.789 5.983 -8.499 75 HB THR 16 HB THR 16 -4.663 5.447 -11.441 76 HG1 THR 16 HG1 THR 16 -5.207 8.004 -10.301 77 HG21 THR 16 HG21 THR 16 -6.624 5.235 -9.500 78 HG22 THR 16 HG22 THR 16 -6.883 5.244 -11.244 79 HG23 THR 16 HG23 THR 16 -7.016 6.743 -10.325 80 H SER 17 H SER 17 -2.401 4.449 -10.616 81 HA SER 17 HA SER 17 -3.413 1.844 -10.537 82 HB2 SER 17 HB2 SER 17 -0.526 2.731 -10.769 83 HB3 SER 17 HB3 SER 17 -1.144 1.132 -11.184 84 HG SER 17 HG SER 17 -1.029 3.257 -12.729 85 H CYS 18 H CYS 18 -1.334 3.589 -8.303 86 HA CYS 18 HA CYS 18 -0.707 1.310 -6.694 87 HB2 CYS 18 HB2 CYS 18 -0.276 4.253 -6.507 88 HB3 CYS 18 HB3 CYS 18 -0.169 3.313 -5.021 89 H SER 19 H SER 19 -2.105 0.286 -5.439 90 HA SER 19 HA SER 19 -4.588 1.502 -4.641 91 HB2 SER 19 HB2 SER 19 -3.433 -1.189 -3.872 92 HB3 SER 19 HB3 SER 19 -5.106 -0.674 -3.659 93 HG SER 19 HG SER 19 -4.244 -1.934 -5.685 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 2.891 0.222 1.714 2 HA2 GLY 1 HA2 GLY 1 3.834 -0.767 -0.905 3 HA3 GLY 1 HA3 GLY 1 2.167 -0.326 -0.565 4 H CYS 2 H CYS 2 2.012 1.202 -2.185 5 HA CYS 2 HA CYS 2 3.917 3.254 -2.612 6 HB2 CYS 2 HB2 CYS 2 0.982 3.268 -3.344 7 HB3 CYS 2 HB3 CYS 2 2.249 4.258 -4.061 8 H CYS 3 H CYS 3 4.142 5.233 -1.741 9 HA CYS 3 HA CYS 3 2.642 5.844 0.648 10 HB2 CYS 3 HB2 CYS 3 5.091 6.885 -0.676 11 HB3 CYS 3 HB3 CYS 3 4.207 8.004 0.357 12 H CYS 4 H CYS 4 1.296 7.592 0.986 13 HA CYS 4 HA CYS 4 0.613 9.251 -1.333 14 HB2 CYS 4 HB2 CYS 4 -1.395 7.779 0.386 15 HB3 CYS 4 HB3 CYS 4 -1.797 8.964 -0.852 16 H ASN 5 H ASN 5 0.288 8.702 2.146 17 HA ASN 5 HA ASN 5 -0.664 11.321 2.733 18 HB2 ASN 5 HB2 ASN 5 0.042 10.674 5.110 19 HB3 ASN 5 HB3 ASN 5 -1.183 9.670 4.339 20 HD21 ASN 5 HD21 ASN 5 -0.906 7.618 4.774 21 HD22 ASN 5 HD22 ASN 5 0.607 6.797 4.919 22 HA PRO 6 HA PRO 6 3.022 13.700 2.847 23 HB2 PRO 6 HB2 PRO 6 2.544 15.355 4.944 24 HB3 PRO 6 HB3 PRO 6 1.710 15.505 3.393 25 HG2 PRO 6 HG2 PRO 6 0.774 14.222 5.931 26 HG3 PRO 6 HG3 PRO 6 -0.116 15.273 4.815 27 HD2 PRO 6 HD2 PRO 6 -0.394 12.580 4.813 28 HD3 PRO 6 HD3 PRO 6 -0.543 13.556 3.338 29 H ALA 7 H ALA 7 1.993 12.298 5.927 30 HA ALA 7 HA ALA 7 4.243 12.687 7.469 31 HB1 ALA 7 HB1 ALA 7 2.762 10.080 7.513 32 HB2 ALA 7 HB2 ALA 7 3.479 10.971 8.856 33 HB3 ALA 7 HB3 ALA 7 2.015 11.574 8.079 34 H CYS 8 H CYS 8 3.705 10.330 4.918 35 HA CYS 8 HA CYS 8 5.821 8.599 5.345 36 HB2 CYS 8 HB2 CYS 8 4.173 8.139 3.644 37 HB3 CYS 8 HB3 CYS 8 4.634 9.579 2.743 38 H GLY 9 H GLY 9 5.804 11.716 3.657 39 HA2 GLY 9 HA2 GLY 9 8.400 12.427 4.354 40 HA3 GLY 9 HA3 GLY 9 8.505 11.606 2.803 41 HA PRO 10 HA PRO 10 7.758 16.106 1.999 42 HB2 PRO 10 HB2 PRO 10 9.643 16.309 0.056 43 HB3 PRO 10 HB3 PRO 10 10.009 16.508 1.774 44 HG2 PRO 10 HG2 PRO 10 10.395 14.113 0.020 45 HG3 PRO 10 HG3 PRO 10 11.487 14.792 1.240 46 HD2 PRO 10 HD2 PRO 10 9.923 12.636 1.726 47 HD3 PRO 10 HD3 PRO 10 10.351 13.809 2.988 48 H ASN 11 H ASN 11 8.181 13.334 -0.141 49 HA ASN 11 HA ASN 11 5.966 14.328 -1.779 50 HB2 ASN 11 HB2 ASN 11 7.853 14.991 -3.080 51 HB3 ASN 11 HB3 ASN 11 8.665 13.452 -2.811 52 HD21 ASN 11 HD21 ASN 11 5.332 14.172 -3.749 53 HD22 ASN 11 HD22 ASN 11 5.381 13.304 -5.243 54 H TYR 12 H TYR 12 4.562 12.779 -2.420 55 HA TYR 12 HA TYR 12 5.286 9.983 -1.831 56 HB2 TYR 12 HB2 TYR 12 2.624 9.875 -1.619 57 HB3 TYR 12 HB3 TYR 12 3.660 10.272 -0.253 58 HD1 TYR 12 HD1 TYR 12 3.357 12.275 0.903 59 HD2 TYR 12 HD2 TYR 12 1.672 11.843 -2.980 60 HE1 TYR 12 HE1 TYR 12 2.174 14.413 1.184 61 HE2 TYR 12 HE2 TYR 12 0.485 13.980 -2.710 62 HH TYR 12 HH TYR 12 -0.003 15.653 -1.332 63 H GLY 13 H GLY 13 3.552 12.189 -3.953 64 HA2 GLY 13 HA2 GLY 13 2.707 11.928 -6.074 65 HA3 GLY 13 HA3 GLY 13 4.063 10.835 -6.303 66 H CYS 14 H CYS 14 1.061 10.662 -4.388 67 HA CYS 14 HA CYS 14 0.687 7.912 -4.766 68 HB2 CYS 14 HB2 CYS 14 -0.408 9.460 -3.040 69 HB3 CYS 14 HB3 CYS 14 -1.563 9.864 -4.306 70 H GLY 15 H GLY 15 0.153 6.808 -6.524 71 HA2 GLY 15 HA2 GLY 15 -1.153 8.243 -8.739 72 HA3 GLY 15 HA3 GLY 15 -0.199 6.776 -8.899 73 H THR 16 H THR 16 -2.730 7.071 -10.040 74 HA THR 16 HA THR 16 -4.813 6.009 -8.455 75 HB THR 16 HB THR 16 -4.570 5.726 -11.452 76 HG1 THR 16 HG1 THR 16 -5.856 7.788 -11.298 77 HG21 THR 16 HG21 THR 16 -6.472 4.566 -10.935 78 HG22 THR 16 HG22 THR 16 -7.151 6.192 -11.022 79 HG23 THR 16 HG23 THR 16 -6.760 5.482 -9.457 80 H SER 17 H SER 17 -2.443 4.504 -10.609 81 HA SER 17 HA SER 17 -3.461 1.905 -10.600 82 HB2 SER 17 HB2 SER 17 -1.693 2.580 -12.134 83 HB3 SER 17 HB3 SER 17 -0.584 2.833 -10.785 84 HG SER 17 HG SER 17 -0.081 0.819 -11.069 85 H CYS 18 H CYS 18 -1.417 3.582 -8.284 86 HA CYS 18 HA CYS 18 -0.854 1.252 -6.716 87 HB2 CYS 18 HB2 CYS 18 -0.393 4.191 -6.414 88 HB3 CYS 18 HB3 CYS 18 -0.248 3.158 -4.995 89 H SER 19 H SER 19 -2.479 0.219 -5.742 90 HA SER 19 HA SER 19 -4.938 1.308 -5.003 91 HB2 SER 19 HB2 SER 19 -3.460 -1.161 -4.108 92 HB3 SER 19 HB3 SER 19 -5.050 -0.752 -3.464 93 HG SER 19 HG SER 19 -5.482 -0.529 -5.924 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 4.605 -0.929 -2.051 2 HA2 GLY 1 HA2 GLY 1 2.591 -0.313 -0.752 3 HA3 GLY 1 HA3 GLY 1 3.673 -0.007 0.598 4 H CYS 2 H CYS 2 2.430 1.188 -2.420 5 HA CYS 2 HA CYS 2 4.086 3.422 -2.766 6 HB2 CYS 2 HB2 CYS 2 1.163 3.128 -3.493 7 HB3 CYS 2 HB3 CYS 2 2.270 4.332 -4.146 8 H CYS 3 H CYS 3 4.251 5.308 -1.739 9 HA CYS 3 HA CYS 3 2.632 5.797 0.594 10 HB2 CYS 3 HB2 CYS 3 5.082 6.987 -0.607 11 HB3 CYS 3 HB3 CYS 3 4.125 8.008 0.462 12 H CYS 4 H CYS 4 1.333 7.621 0.974 13 HA CYS 4 HA CYS 4 0.612 9.244 -1.357 14 HB2 CYS 4 HB2 CYS 4 -1.353 7.721 0.366 15 HB3 CYS 4 HB3 CYS 4 -1.804 8.953 -0.809 16 H ASN 5 H ASN 5 0.303 8.715 2.127 17 HA ASN 5 HA ASN 5 -0.649 11.343 2.692 18 HB2 ASN 5 HB2 ASN 5 0.026 10.703 5.078 19 HB3 ASN 5 HB3 ASN 5 -1.196 9.703 4.299 20 HD21 ASN 5 HD21 ASN 5 -0.937 7.650 4.746 21 HD22 ASN 5 HD22 ASN 5 0.570 6.820 4.913 22 HA PRO 6 HA PRO 6 3.054 13.692 2.829 23 HB2 PRO 6 HB2 PRO 6 2.569 15.362 4.915 24 HB3 PRO 6 HB3 PRO 6 1.752 15.510 3.355 25 HG2 PRO 6 HG2 PRO 6 0.781 14.248 5.890 26 HG3 PRO 6 HG3 PRO 6 -0.090 15.301 4.760 27 HD2 PRO 6 HD2 PRO 6 -0.389 12.610 4.769 28 HD3 PRO 6 HD3 PRO 6 -0.516 13.579 3.287 29 H ALA 7 H ALA 7 1.986 12.300 5.899 30 HA ALA 7 HA ALA 7 4.217 12.683 7.469 31 HB1 ALA 7 HB1 ALA 7 3.477 10.212 8.264 32 HB2 ALA 7 HB2 ALA 7 2.637 11.691 8.731 33 HB3 ALA 7 HB3 ALA 7 2.029 10.716 7.393 34 H CYS 8 H CYS 8 3.709 10.334 4.905 35 HA CYS 8 HA CYS 8 5.826 8.605 5.364 36 HB2 CYS 8 HB2 CYS 8 4.164 8.150 3.658 37 HB3 CYS 8 HB3 CYS 8 4.678 9.559 2.735 38 H GLY 9 H GLY 9 5.801 11.711 3.660 39 HA2 GLY 9 HA2 GLY 9 8.396 12.432 4.357 40 HA3 GLY 9 HA3 GLY 9 8.503 11.607 2.810 41 HA PRO 10 HA PRO 10 7.740 16.105 1.997 42 HB2 PRO 10 HB2 PRO 10 9.637 16.318 0.067 43 HB3 PRO 10 HB3 PRO 10 9.989 16.521 1.787 44 HG2 PRO 10 HG2 PRO 10 10.403 14.126 0.040 45 HG3 PRO 10 HG3 PRO 10 11.482 14.816 1.267 46 HD2 PRO 10 HD2 PRO 10 9.929 12.649 1.744 47 HD3 PRO 10 HD3 PRO 10 10.339 13.826 3.008 48 H ASN 11 H ASN 11 8.203 13.337 -0.142 49 HA ASN 11 HA ASN 11 6.003 14.326 -1.806 50 HB2 ASN 11 HB2 ASN 11 8.711 14.271 -2.629 51 HB3 ASN 11 HB3 ASN 11 7.896 12.958 -3.475 52 HD21 ASN 11 HD21 ASN 11 5.382 14.013 -3.795 53 HD22 ASN 11 HD22 ASN 11 5.463 15.378 -4.851 54 H TYR 12 H TYR 12 4.579 12.789 -2.413 55 HA TYR 12 HA TYR 12 5.278 9.989 -1.814 56 HB2 TYR 12 HB2 TYR 12 2.617 9.906 -1.585 57 HB3 TYR 12 HB3 TYR 12 3.664 10.303 -0.228 58 HD1 TYR 12 HD1 TYR 12 3.390 12.322 0.912 59 HD2 TYR 12 HD2 TYR 12 1.670 11.870 -2.953 60 HE1 TYR 12 HE1 TYR 12 2.227 14.471 1.185 61 HE2 TYR 12 HE2 TYR 12 0.503 14.019 -2.692 62 HH TYR 12 HH TYR 12 -0.068 15.479 0.050 63 H GLY 13 H GLY 13 3.547 12.198 -3.934 64 HA2 GLY 13 HA2 GLY 13 2.685 11.934 -6.049 65 HA3 GLY 13 HA3 GLY 13 4.035 10.834 -6.283 66 H CYS 14 H CYS 14 1.046 10.681 -4.345 67 HA CYS 14 HA CYS 14 0.648 7.939 -4.671 68 HB2 CYS 14 HB2 CYS 14 -0.478 9.518 -3.012 69 HB3 CYS 14 HB3 CYS 14 -1.585 9.935 -4.315 70 H GLY 15 H GLY 15 0.114 6.769 -6.386 71 HA2 GLY 15 HA2 GLY 15 -1.116 8.141 -8.684 72 HA3 GLY 15 HA3 GLY 15 -0.171 6.662 -8.772 73 H THR 16 H THR 16 -2.562 6.760 -10.050 74 HA THR 16 HA THR 16 -4.682 5.734 -8.401 75 HB THR 16 HB THR 16 -4.665 5.467 -11.387 76 HG1 THR 16 HG1 THR 16 -4.595 7.562 -11.625 77 HG21 THR 16 HG21 THR 16 -6.601 5.370 -9.229 78 HG22 THR 16 HG22 THR 16 -6.756 4.843 -10.904 79 HG23 THR 16 HG23 THR 16 -7.068 6.524 -10.477 80 H SER 17 H SER 17 -2.291 4.393 -10.615 81 HA SER 17 HA SER 17 -3.321 1.783 -10.771 82 HB2 SER 17 HB2 SER 17 -1.342 1.216 -11.847 83 HB3 SER 17 HB3 SER 17 -1.391 2.960 -12.107 84 HG SER 17 HG SER 17 0.620 2.557 -11.349 85 H CYS 18 H CYS 18 -1.206 3.344 -8.436 86 HA CYS 18 HA CYS 18 -0.424 1.011 -7.044 87 HB2 CYS 18 HB2 CYS 18 -0.438 3.940 -6.424 88 HB3 CYS 18 HB3 CYS 18 -0.123 2.791 -5.128 89 H SER 19 H SER 19 -1.005 0.701 -4.666 90 HA SER 19 HA SER 19 -3.935 0.852 -4.395 91 HB2 SER 19 HB2 SER 19 -3.952 -1.237 -3.355 92 HB3 SER 19 HB3 SER 19 -2.699 -1.439 -4.580 93 HG SER 19 HG SER 19 -1.196 -0.817 -2.852 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 3.720 -1.857 -1.378 2 HA2 GLY 1 HA2 GLY 1 1.894 -0.461 -1.505 3 HA3 GLY 1 HA3 GLY 1 2.159 -0.061 0.187 4 H CYS 2 H CYS 2 1.567 1.519 -2.369 5 HA CYS 2 HA CYS 2 3.873 3.244 -2.617 6 HB2 CYS 2 HB2 CYS 2 1.096 3.369 -3.801 7 HB3 CYS 2 HB3 CYS 2 2.349 4.561 -4.131 8 H CYS 3 H CYS 3 4.227 5.112 -1.585 9 HA CYS 3 HA CYS 3 2.639 5.830 0.655 10 HB2 CYS 3 HB2 CYS 3 5.089 6.878 -0.662 11 HB3 CYS 3 HB3 CYS 3 4.200 7.991 0.372 12 H CYS 4 H CYS 4 1.302 7.592 0.990 13 HA CYS 4 HA CYS 4 0.619 9.240 -1.336 14 HB2 CYS 4 HB2 CYS 4 -1.382 7.753 0.380 15 HB3 CYS 4 HB3 CYS 4 -1.797 8.959 -0.835 16 H ASN 5 H ASN 5 0.289 8.701 2.144 17 HA ASN 5 HA ASN 5 -0.662 11.324 2.721 18 HB2 ASN 5 HB2 ASN 5 0.038 10.682 5.102 19 HB3 ASN 5 HB3 ASN 5 -1.188 9.680 4.330 20 HD21 ASN 5 HD21 ASN 5 -0.916 7.640 4.834 21 HD22 ASN 5 HD22 ASN 5 0.594 6.810 4.961 22 HA PRO 6 HA PRO 6 3.028 13.696 2.839 23 HB2 PRO 6 HB2 PRO 6 2.548 15.357 4.931 24 HB3 PRO 6 HB3 PRO 6 1.718 15.504 3.378 25 HG2 PRO 6 HG2 PRO 6 0.774 14.229 5.917 26 HG3 PRO 6 HG3 PRO 6 -0.112 15.280 4.796 27 HD2 PRO 6 HD2 PRO 6 -0.395 12.587 4.800 28 HD3 PRO 6 HD3 PRO 6 -0.538 13.560 3.322 29 H ALA 7 H ALA 7 1.991 12.296 5.915 30 HA ALA 7 HA ALA 7 4.235 12.687 7.465 31 HB1 ALA 7 HB1 ALA 7 2.244 11.727 8.399 32 HB2 ALA 7 HB2 ALA 7 2.401 10.298 7.377 33 HB3 ALA 7 HB3 ALA 7 3.581 10.604 8.651 34 H CYS 8 H CYS 8 3.706 10.333 4.910 35 HA CYS 8 HA CYS 8 5.822 8.601 5.347 36 HB2 CYS 8 HB2 CYS 8 4.171 8.140 3.645 37 HB3 CYS 8 HB3 CYS 8 4.643 9.574 2.739 38 H GLY 9 H GLY 9 5.802 11.717 3.659 39 HA2 GLY 9 HA2 GLY 9 8.398 12.431 4.353 40 HA3 GLY 9 HA3 GLY 9 8.504 11.608 2.804 41 HA PRO 10 HA PRO 10 7.750 16.108 1.998 42 HB2 PRO 10 HB2 PRO 10 9.641 16.315 0.060 43 HB3 PRO 10 HB3 PRO 10 10.001 16.516 1.779 44 HG2 PRO 10 HG2 PRO 10 10.399 14.122 0.028 45 HG3 PRO 10 HG3 PRO 10 11.485 14.805 1.252 46 HD2 PRO 10 HD2 PRO 10 9.925 12.644 1.732 47 HD3 PRO 10 HD3 PRO 10 10.345 13.818 2.995 48 H ASN 11 H ASN 11 8.188 13.337 -0.141 49 HA ASN 11 HA ASN 11 5.980 14.329 -1.791 50 HB2 ASN 11 HB2 ASN 11 7.877 14.982 -3.082 51 HB3 ASN 11 HB3 ASN 11 8.680 13.439 -2.807 52 HD21 ASN 11 HD21 ASN 11 5.349 14.160 -3.752 53 HD22 ASN 11 HD22 ASN 11 5.402 13.297 -5.247 54 H TYR 12 H TYR 12 4.569 12.785 -2.417 55 HA TYR 12 HA TYR 12 5.285 9.987 -1.825 56 HB2 TYR 12 HB2 TYR 12 2.622 9.888 -1.610 57 HB3 TYR 12 HB3 TYR 12 3.662 10.285 -0.247 58 HD1 TYR 12 HD1 TYR 12 3.363 12.292 0.906 59 HD2 TYR 12 HD2 TYR 12 1.675 11.857 -2.976 60 HE1 TYR 12 HE1 TYR 12 2.188 14.434 1.184 61 HE2 TYR 12 HE2 TYR 12 0.496 13.999 -2.709 62 HH TYR 12 HH TYR 12 0.398 15.676 0.333 63 H GLY 13 H GLY 13 3.557 12.195 -3.951 64 HA2 GLY 13 HA2 GLY 13 2.708 11.933 -6.070 65 HA3 GLY 13 HA3 GLY 13 4.061 10.834 -6.298 66 H CYS 14 H CYS 14 1.061 10.676 -4.379 67 HA CYS 14 HA CYS 14 0.675 7.927 -4.746 68 HB2 CYS 14 HB2 CYS 14 -0.420 9.479 -3.030 69 HB3 CYS 14 HB3 CYS 14 -1.563 9.897 -4.303 70 H GLY 15 H GLY 15 0.121 6.806 -6.486 71 HA2 GLY 15 HA2 GLY 15 -1.104 8.231 -8.746 72 HA3 GLY 15 HA3 GLY 15 -0.239 6.704 -8.845 73 H THR 16 H THR 16 -2.588 6.854 -10.125 74 HA THR 16 HA THR 16 -4.790 6.017 -8.484 75 HB THR 16 HB THR 16 -5.292 5.288 -11.172 76 HG1 THR 16 HG1 THR 16 -3.692 6.529 -11.998 77 HG21 THR 16 HG21 THR 16 -6.994 6.151 -9.733 78 HG22 THR 16 HG22 THR 16 -6.805 7.291 -11.067 79 HG23 THR 16 HG23 THR 16 -6.106 7.654 -9.488 80 H SER 17 H SER 17 -2.707 4.403 -10.880 81 HA SER 17 HA SER 17 -3.817 1.857 -10.704 82 HB2 SER 17 HB2 SER 17 -2.299 2.211 -12.472 83 HB3 SER 17 HB3 SER 17 -1.047 2.823 -11.390 84 HG SER 17 HG SER 17 -1.023 0.495 -12.263 85 H CYS 18 H CYS 18 -1.423 3.441 -8.675 86 HA CYS 18 HA CYS 18 -1.438 1.086 -6.905 87 HB2 CYS 18 HB2 CYS 18 0.771 1.782 -7.986 88 HB3 CYS 18 HB3 CYS 18 0.705 3.206 -6.952 89 H SER 19 H SER 19 -2.852 1.453 -5.320 90 HA SER 19 HA SER 19 -3.768 3.924 -4.432 91 HB2 SER 19 HB2 SER 19 -3.809 1.152 -3.335 92 HB3 SER 19 HB3 SER 19 -4.220 2.471 -2.239 93 HG SER 19 HG SER 19 -5.928 3.001 -3.500 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 0.666 -1.759 -1.181 2 HA2 GLY 1 HA2 GLY 1 0.531 0.080 -2.732 3 HA3 GLY 1 HA3 GLY 1 -0.194 0.634 -1.229 4 H CYS 2 H CYS 2 1.177 2.134 -3.371 5 HA CYS 2 HA CYS 2 3.715 2.974 -2.371 6 HB2 CYS 2 HB2 CYS 2 1.907 4.439 -4.301 7 HB3 CYS 2 HB3 CYS 2 3.644 4.655 -4.104 8 H CYS 3 H CYS 3 4.253 5.012 -1.464 9 HA CYS 3 HA CYS 3 2.637 5.837 0.655 10 HB2 CYS 3 HB2 CYS 3 5.089 6.875 -0.667 11 HB3 CYS 3 HB3 CYS 3 4.204 7.994 0.366 12 H CYS 4 H CYS 4 1.295 7.589 0.988 13 HA CYS 4 HA CYS 4 0.616 9.246 -1.334 14 HB2 CYS 4 HB2 CYS 4 -1.391 7.769 0.382 15 HB3 CYS 4 HB3 CYS 4 -1.797 8.965 -0.844 16 H ASN 5 H ASN 5 0.284 8.702 2.145 17 HA ASN 5 HA ASN 5 -0.664 11.324 2.727 18 HB2 ASN 5 HB2 ASN 5 0.040 10.678 5.106 19 HB3 ASN 5 HB3 ASN 5 -1.187 9.677 4.336 20 HD21 ASN 5 HD21 ASN 5 -0.906 7.586 4.536 21 HD22 ASN 5 HD22 ASN 5 0.600 6.776 4.774 22 HA PRO 6 HA PRO 6 3.025 13.697 2.842 23 HB2 PRO 6 HB2 PRO 6 2.547 15.356 4.937 24 HB3 PRO 6 HB3 PRO 6 1.715 15.504 3.384 25 HG2 PRO 6 HG2 PRO 6 0.775 14.226 5.924 26 HG3 PRO 6 HG3 PRO 6 -0.113 15.278 4.804 27 HD2 PRO 6 HD2 PRO 6 -0.395 12.585 4.807 28 HD3 PRO 6 HD3 PRO 6 -0.541 13.558 3.329 29 H ALA 7 H ALA 7 1.991 12.295 5.920 30 HA ALA 7 HA ALA 7 4.238 12.686 7.467 31 HB1 ALA 7 HB1 ALA 7 2.576 10.171 7.427 32 HB2 ALA 7 HB2 ALA 7 3.547 10.782 8.766 33 HB3 ALA 7 HB3 ALA 7 2.115 11.667 8.240 34 H CYS 8 H CYS 8 3.706 10.332 4.911 35 HA CYS 8 HA CYS 8 5.822 8.601 5.345 36 HB2 CYS 8 HB2 CYS 8 4.171 8.141 3.644 37 HB3 CYS 8 HB3 CYS 8 4.642 9.576 2.738 38 H GLY 9 H GLY 9 5.802 11.718 3.660 39 HA2 GLY 9 HA2 GLY 9 8.398 12.430 4.354 40 HA3 GLY 9 HA3 GLY 9 8.504 11.608 2.804 41 HA PRO 10 HA PRO 10 7.751 16.108 1.998 42 HB2 PRO 10 HB2 PRO 10 9.640 16.314 0.059 43 HB3 PRO 10 HB3 PRO 10 10.002 16.515 1.778 44 HG2 PRO 10 HG2 PRO 10 10.396 14.121 0.026 45 HG3 PRO 10 HG3 PRO 10 11.484 14.804 1.249 46 HD2 PRO 10 HD2 PRO 10 9.924 12.644 1.730 47 HD3 PRO 10 HD3 PRO 10 10.346 13.817 2.994 48 H ASN 11 H ASN 11 8.186 13.338 -0.141 49 HA ASN 11 HA ASN 11 5.975 14.329 -1.787 50 HB2 ASN 11 HB2 ASN 11 7.868 14.987 -3.081 51 HB3 ASN 11 HB3 ASN 11 8.676 13.446 -2.809 52 HD21 ASN 11 HD21 ASN 11 5.344 14.163 -3.752 53 HD22 ASN 11 HD22 ASN 11 5.396 13.298 -5.247 54 H TYR 12 H TYR 12 4.568 12.782 -2.419 55 HA TYR 12 HA TYR 12 5.289 9.985 -1.828 56 HB2 TYR 12 HB2 TYR 12 2.625 9.882 -1.616 57 HB3 TYR 12 HB3 TYR 12 3.663 10.277 -0.251 58 HD1 TYR 12 HD1 TYR 12 3.360 12.281 0.904 59 HD2 TYR 12 HD2 TYR 12 1.679 11.851 -2.980 60 HE1 TYR 12 HE1 TYR 12 2.181 14.422 1.184 61 HE2 TYR 12 HE2 TYR 12 0.496 13.991 -2.712 62 HH TYR 12 HH TYR 12 0.380 15.886 -1.458 63 H GLY 13 H GLY 13 3.561 12.192 -3.954 64 HA2 GLY 13 HA2 GLY 13 2.716 11.930 -6.075 65 HA3 GLY 13 HA3 GLY 13 4.070 10.831 -6.301 66 H CYS 14 H CYS 14 1.065 10.671 -4.387 67 HA CYS 14 HA CYS 14 0.683 7.922 -4.760 68 HB2 CYS 14 HB2 CYS 14 -0.408 9.472 -3.037 69 HB3 CYS 14 HB3 CYS 14 -1.558 9.886 -4.304 70 H GLY 15 H GLY 15 0.191 6.832 -6.539 71 HA2 GLY 15 HA2 GLY 15 -1.141 8.261 -8.741 72 HA3 GLY 15 HA3 GLY 15 -0.166 6.808 -8.911 73 H THR 16 H THR 16 -2.432 6.667 -10.197 74 HA THR 16 HA THR 16 -4.628 5.733 -8.607 75 HB THR 16 HB THR 16 -4.178 5.490 -11.588 76 HG1 THR 16 HG1 THR 16 -5.786 7.289 -11.488 77 HG21 THR 16 HG21 THR 16 -6.919 5.594 -10.927 78 HG22 THR 16 HG22 THR 16 -6.186 4.389 -9.868 79 HG23 THR 16 HG23 THR 16 -6.022 4.242 -11.618 80 H SER 17 H SER 17 -2.173 4.208 -10.659 81 HA SER 17 HA SER 17 -3.128 1.573 -10.445 82 HB2 SER 17 HB2 SER 17 -1.571 1.732 -12.128 83 HB3 SER 17 HB3 SER 17 -0.543 2.840 -11.219 84 HG SER 17 HG SER 17 -0.842 0.063 -10.702 85 H CYS 18 H CYS 18 -0.988 3.479 -8.407 86 HA CYS 18 HA CYS 18 -0.149 1.327 -6.747 87 HB2 CYS 18 HB2 CYS 18 -0.076 4.321 -6.501 88 HB3 CYS 18 HB3 CYS 18 0.393 3.299 -5.147 89 H SER 19 H SER 19 -1.471 0.191 -5.501 90 HA SER 19 HA SER 19 -4.036 1.074 -4.691 91 HB2 SER 19 HB2 SER 19 -4.244 -1.016 -3.580 92 HB3 SER 19 HB3 SER 19 -3.248 -1.336 -5.000 93 HG SER 19 HG SER 19 -2.544 -1.291 -2.297 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 4.944 -1.216 -1.081 2 HA2 GLY 1 HA2 GLY 1 2.096 -0.501 -0.819 3 HA3 GLY 1 HA3 GLY 1 3.177 -0.345 0.558 4 H CYS 2 H CYS 2 1.781 1.277 -1.975 5 HA CYS 2 HA CYS 2 3.942 3.133 -2.476 6 HB2 CYS 2 HB2 CYS 2 1.043 3.309 -3.320 7 HB3 CYS 2 HB3 CYS 2 2.381 4.253 -3.966 8 H CYS 3 H CYS 3 4.083 5.238 -1.776 9 HA CYS 3 HA CYS 3 2.636 5.839 0.666 10 HB2 CYS 3 HB2 CYS 3 5.088 6.850 -0.672 11 HB3 CYS 3 HB3 CYS 3 4.214 7.987 0.348 12 H CYS 4 H CYS 4 1.290 7.583 0.994 13 HA CYS 4 HA CYS 4 0.617 9.243 -1.328 14 HB2 CYS 4 HB2 CYS 4 -1.400 7.778 0.388 15 HB3 CYS 4 HB3 CYS 4 -1.794 8.964 -0.853 16 H ASN 5 H ASN 5 0.283 8.698 2.150 17 HA ASN 5 HA ASN 5 -0.667 11.317 2.736 18 HB2 ASN 5 HB2 ASN 5 0.043 10.672 5.113 19 HB3 ASN 5 HB3 ASN 5 -1.184 9.669 4.345 20 HD21 ASN 5 HD21 ASN 5 -0.906 7.600 4.688 21 HD22 ASN 5 HD22 ASN 5 0.606 6.785 4.868 22 HA PRO 6 HA PRO 6 3.018 13.698 2.844 23 HB2 PRO 6 HB2 PRO 6 2.541 15.355 4.942 24 HB3 PRO 6 HB3 PRO 6 1.706 15.503 3.391 25 HG2 PRO 6 HG2 PRO 6 0.773 14.221 5.932 26 HG3 PRO 6 HG3 PRO 6 -0.119 15.272 4.815 27 HD2 PRO 6 HD2 PRO 6 -0.396 12.578 4.816 28 HD3 PRO 6 HD3 PRO 6 -0.546 13.552 3.340 29 H ALA 7 H ALA 7 1.994 12.299 5.927 30 HA ALA 7 HA ALA 7 4.245 12.691 7.467 31 HB1 ALA 7 HB1 ALA 7 3.515 10.208 8.264 32 HB2 ALA 7 HB2 ALA 7 2.700 11.693 8.760 33 HB3 ALA 7 HB3 ALA 7 2.052 10.734 7.429 34 H CYS 8 H CYS 8 3.705 10.334 4.916 35 HA CYS 8 HA CYS 8 5.820 8.600 5.343 36 HB2 CYS 8 HB2 CYS 8 4.169 8.142 3.643 37 HB3 CYS 8 HB3 CYS 8 4.634 9.581 2.741 38 H GLY 9 H GLY 9 5.803 11.718 3.658 39 HA2 GLY 9 HA2 GLY 9 8.400 12.428 4.351 40 HA3 GLY 9 HA3 GLY 9 8.503 11.607 2.801 41 HA PRO 10 HA PRO 10 7.757 16.107 1.999 42 HB2 PRO 10 HB2 PRO 10 9.643 16.311 0.057 43 HB3 PRO 10 HB3 PRO 10 10.008 16.510 1.775 44 HG2 PRO 10 HG2 PRO 10 10.395 14.115 0.020 45 HG3 PRO 10 HG3 PRO 10 11.486 14.796 1.241 46 HD2 PRO 10 HD2 PRO 10 9.923 12.639 1.724 47 HD3 PRO 10 HD3 PRO 10 10.350 13.811 2.988 48 H ASN 11 H ASN 11 8.180 13.337 -0.142 49 HA ASN 11 HA ASN 11 5.966 14.330 -1.780 50 HB2 ASN 11 HB2 ASN 11 7.854 14.996 -3.079 51 HB3 ASN 11 HB3 ASN 11 8.665 13.456 -2.813 52 HD21 ASN 11 HD21 ASN 11 5.330 14.177 -3.747 53 HD22 ASN 11 HD22 ASN 11 5.379 13.315 -5.243 54 H TYR 12 H TYR 12 4.563 12.781 -2.420 55 HA TYR 12 HA TYR 12 5.289 9.985 -1.833 56 HB2 TYR 12 HB2 TYR 12 2.626 9.875 -1.623 57 HB3 TYR 12 HB3 TYR 12 3.662 10.272 -0.256 58 HD1 TYR 12 HD1 TYR 12 3.353 12.273 0.901 59 HD2 TYR 12 HD2 TYR 12 1.676 11.846 -2.986 60 HE1 TYR 12 HE1 TYR 12 2.169 14.411 1.184 61 HE2 TYR 12 HE2 TYR 12 0.488 13.982 -2.715 62 HH TYR 12 HH TYR 12 -0.088 15.423 0.075 63 H GLY 13 H GLY 13 3.558 12.191 -3.957 64 HA2 GLY 13 HA2 GLY 13 2.714 11.931 -6.079 65 HA3 GLY 13 HA3 GLY 13 4.070 10.837 -6.306 66 H CYS 14 H CYS 14 1.067 10.667 -4.394 67 HA CYS 14 HA CYS 14 0.692 7.915 -4.782 68 HB2 CYS 14 HB2 CYS 14 -0.392 9.454 -3.041 69 HB3 CYS 14 HB3 CYS 14 -1.555 9.864 -4.298 70 H GLY 15 H GLY 15 0.139 6.820 -6.541 71 HA2 GLY 15 HA2 GLY 15 -1.144 8.271 -8.754 72 HA3 GLY 15 HA3 GLY 15 -0.237 6.773 -8.903 73 H THR 16 H THR 16 -2.556 6.798 -10.170 74 HA THR 16 HA THR 16 -4.757 5.933 -8.549 75 HB THR 16 HB THR 16 -4.604 5.408 -11.497 76 HG1 THR 16 HG1 THR 16 -4.152 7.476 -11.716 77 HG21 THR 16 HG21 THR 16 -6.636 4.670 -10.648 78 HG22 THR 16 HG22 THR 16 -7.027 6.305 -11.184 79 HG23 THR 16 HG23 THR 16 -6.737 5.982 -9.474 80 H SER 17 H SER 17 -2.353 4.349 -10.599 81 HA SER 17 HA SER 17 -3.427 1.759 -10.524 82 HB2 SER 17 HB2 SER 17 -1.350 1.016 -11.384 83 HB3 SER 17 HB3 SER 17 -1.533 2.658 -12.000 84 HG SER 17 HG SER 17 0.309 1.631 -10.238 85 H CYS 18 H CYS 18 -1.326 3.486 -8.298 86 HA CYS 18 HA CYS 18 -0.727 1.217 -6.670 87 HB2 CYS 18 HB2 CYS 18 -0.320 4.168 -6.457 88 HB3 CYS 18 HB3 CYS 18 -0.174 3.194 -4.998 89 H SER 19 H SER 19 -3.119 3.806 -6.552 90 HA SER 19 HA SER 19 -4.155 3.235 -3.998 91 HB2 SER 19 HB2 SER 19 -4.819 5.311 -4.800 92 HB3 SER 19 HB3 SER 19 -5.186 4.688 -6.409 93 HG SER 19 HG SER 19 -7.094 5.133 -5.269 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 4.377 -1.467 -0.298 2 HA2 GLY 1 HA2 GLY 1 2.414 -0.712 -1.347 3 HA3 GLY 1 HA3 GLY 1 1.859 -0.079 0.196 4 H CYS 2 H CYS 2 1.764 1.302 -2.290 5 HA CYS 2 HA CYS 2 3.912 3.155 -2.504 6 HB2 CYS 2 HB2 CYS 2 1.073 3.427 -3.514 7 HB3 CYS 2 HB3 CYS 2 2.465 4.359 -4.056 8 H CYS 3 H CYS 3 4.151 5.191 -1.698 9 HA CYS 3 HA CYS 3 2.635 5.836 0.665 10 HB2 CYS 3 HB2 CYS 3 5.089 6.861 -0.661 11 HB3 CYS 3 HB3 CYS 3 4.209 7.987 0.368 12 H CYS 4 H CYS 4 1.288 7.583 0.991 13 HA CYS 4 HA CYS 4 0.618 9.239 -1.335 14 HB2 CYS 4 HB2 CYS 4 -1.393 7.767 0.379 15 HB3 CYS 4 HB3 CYS 4 -1.796 8.962 -0.849 16 H ASN 5 H ASN 5 0.286 8.701 2.144 17 HA ASN 5 HA ASN 5 -0.663 11.325 2.721 18 HB2 ASN 5 HB2 ASN 5 0.037 10.683 5.101 19 HB3 ASN 5 HB3 ASN 5 -1.190 9.681 4.331 20 HD21 ASN 5 HD21 ASN 5 -0.922 7.633 4.792 21 HD22 ASN 5 HD22 ASN 5 0.589 6.805 4.934 22 HA PRO 6 HA PRO 6 3.029 13.695 2.837 23 HB2 PRO 6 HB2 PRO 6 2.549 15.357 4.931 24 HB3 PRO 6 HB3 PRO 6 1.719 15.504 3.378 25 HG2 PRO 6 HG2 PRO 6 0.775 14.229 5.916 26 HG3 PRO 6 HG3 PRO 6 -0.110 15.280 4.795 27 HD2 PRO 6 HD2 PRO 6 -0.395 12.588 4.800 28 HD3 PRO 6 HD3 PRO 6 -0.538 13.561 3.322 29 H ALA 7 H ALA 7 1.990 12.296 5.915 30 HA ALA 7 HA ALA 7 4.234 12.686 7.465 31 HB1 ALA 7 HB1 ALA 7 3.585 10.477 8.553 32 HB2 ALA 7 HB2 ALA 7 2.354 11.740 8.508 33 HB3 ALA 7 HB3 ALA 7 2.286 10.401 7.362 34 H CYS 8 H CYS 8 3.706 10.330 4.910 35 HA CYS 8 HA CYS 8 5.822 8.600 5.347 36 HB2 CYS 8 HB2 CYS 8 4.171 8.142 3.644 37 HB3 CYS 8 HB3 CYS 8 4.648 9.574 2.737 38 H GLY 9 H GLY 9 5.803 11.713 3.653 39 HA2 GLY 9 HA2 GLY 9 8.399 12.427 4.351 40 HA3 GLY 9 HA3 GLY 9 8.505 11.606 2.801 41 HA PRO 10 HA PRO 10 7.753 16.107 1.999 42 HB2 PRO 10 HB2 PRO 10 9.641 16.315 0.060 43 HB3 PRO 10 HB3 PRO 10 10.003 16.514 1.779 44 HG2 PRO 10 HG2 PRO 10 10.397 14.120 0.025 45 HG3 PRO 10 HG3 PRO 10 11.485 14.802 1.248 46 HD2 PRO 10 HD2 PRO 10 9.925 12.642 1.729 47 HD3 PRO 10 HD3 PRO 10 10.347 13.815 2.993 48 H ASN 11 H ASN 11 8.188 13.339 -0.143 49 HA ASN 11 HA ASN 11 5.977 14.332 -1.788 50 HB2 ASN 11 HB2 ASN 11 7.868 14.989 -3.084 51 HB3 ASN 11 HB3 ASN 11 8.677 13.449 -2.808 52 HD21 ASN 11 HD21 ASN 11 5.345 14.161 -3.754 53 HD22 ASN 11 HD22 ASN 11 5.400 13.293 -5.248 54 H TYR 12 H TYR 12 4.567 12.786 -2.416 55 HA TYR 12 HA TYR 12 5.285 9.989 -1.828 56 HB2 TYR 12 HB2 TYR 12 2.622 9.887 -1.615 57 HB3 TYR 12 HB3 TYR 12 3.661 10.283 -0.250 58 HD1 TYR 12 HD1 TYR 12 3.363 12.289 0.903 59 HD2 TYR 12 HD2 TYR 12 1.675 11.857 -2.978 60 HE1 TYR 12 HE1 TYR 12 2.185 14.430 1.183 61 HE2 TYR 12 HE2 TYR 12 0.493 13.996 -2.709 62 HH TYR 12 HH TYR 12 1.249 16.245 -0.465 63 H GLY 13 H GLY 13 3.556 12.197 -3.951 64 HA2 GLY 13 HA2 GLY 13 2.708 11.935 -6.071 65 HA3 GLY 13 HA3 GLY 13 4.063 10.840 -6.300 66 H CYS 14 H CYS 14 1.062 10.672 -4.383 67 HA CYS 14 HA CYS 14 0.683 7.923 -4.756 68 HB2 CYS 14 HB2 CYS 14 -0.411 9.470 -3.033 69 HB3 CYS 14 HB3 CYS 14 -1.560 9.885 -4.302 70 H GLY 15 H GLY 15 0.161 6.819 -6.517 71 HA2 GLY 15 HA2 GLY 15 -1.031 8.244 -8.784 72 HA3 GLY 15 HA3 GLY 15 -0.241 6.675 -8.849 73 H THR 16 H THR 16 -2.621 7.019 -10.124 74 HA THR 16 HA THR 16 -4.845 6.267 -8.484 75 HB THR 16 HB THR 16 -4.612 6.056 -11.491 76 HG1 THR 16 HG1 THR 16 -5.422 8.224 -9.828 77 HG21 THR 16 HG21 THR 16 -6.652 5.161 -11.320 78 HG22 THR 16 HG22 THR 16 -7.210 6.730 -10.737 79 HG23 THR 16 HG23 THR 16 -6.717 5.486 -9.589 80 H SER 17 H SER 17 -2.644 4.563 -10.666 81 HA SER 17 HA SER 17 -3.925 2.072 -10.653 82 HB2 SER 17 HB2 SER 17 -2.288 2.154 -12.270 83 HB3 SER 17 HB3 SER 17 -1.156 3.023 -11.233 84 HG SER 17 HG SER 17 -0.789 0.665 -11.743 85 H CYS 18 H CYS 18 -1.644 3.529 -8.409 86 HA CYS 18 HA CYS 18 -1.866 1.145 -6.694 87 HB2 CYS 18 HB2 CYS 18 0.438 1.943 -7.529 88 HB3 CYS 18 HB3 CYS 18 0.238 3.280 -6.402 89 H SER 19 H SER 19 -3.539 1.504 -5.359 90 HA SER 19 HA SER 19 -3.364 3.796 -3.565 91 HB2 SER 19 HB2 SER 19 -5.523 4.616 -3.953 92 HB3 SER 19 HB3 SER 19 -4.938 4.261 -5.579 93 HG SER 19 HG SER 19 -6.547 2.941 -5.763
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