NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640316 | 6oqp | 30607 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 1.807 0.001 0.856 2 HA SER 1 HA SER 1 2.001 -0.976 -1.689 3 HB2 SER 1 HB2 SER 1 1.962 2.011 -1.980 4 HB3 SER 1 HB3 SER 1 1.789 0.770 -3.221 5 HG SER 1 HG SER 1 -0.173 1.973 -2.469 6 H LYS 2 H LYS 2 4.098 -0.859 -2.526 7 HA LYS 2 HA LYS 2 6.122 -0.249 -0.610 8 HB2 LYS 2 HB2 LYS 2 5.949 -1.576 -3.205 9 HB3 LYS 2 HB3 LYS 2 7.428 -0.642 -3.020 10 HG2 LYS 2 HG2 LYS 2 8.052 -2.706 -2.220 11 HG3 LYS 2 HG3 LYS 2 7.610 -1.858 -0.736 12 HD2 LYS 2 HD2 LYS 2 5.651 -3.055 -0.480 13 HD3 LYS 2 HD3 LYS 2 5.544 -3.446 -2.198 14 HE2 LYS 2 HE2 LYS 2 6.297 -5.462 -1.558 15 HE3 LYS 2 HE3 LYS 2 7.872 -4.670 -1.517 16 HZ1 LYS 2 HZ1 LYS 2 6.329 -5.734 0.632 17 HZ2 LYS 2 HZ2 LYS 2 7.955 -5.266 0.606 18 HZ3 LYS 2 HZ3 LYS 2 6.751 -4.120 0.919 19 H TRP 3 H TRP 3 8.163 0.960 -1.473 20 HA TRP 3 HA TRP 3 7.435 3.680 -1.778 21 HB2 TRP 3 HB2 TRP 3 9.613 4.122 -1.318 22 HB3 TRP 3 HB3 TRP 3 9.650 2.419 -0.869 23 HD1 TRP 3 HD1 TRP 3 11.677 4.722 -2.685 24 HE1 TRP 3 HE1 TRP 3 13.106 3.570 -4.490 25 HE3 TRP 3 HE3 TRP 3 9.214 0.249 -2.937 26 HZ2 TRP 3 HZ2 TRP 3 13.178 1.093 -5.842 27 HZ3 TRP 3 HZ3 TRP 3 10.027 -1.458 -4.512 28 HH2 TRP 3 HH2 TRP 3 11.968 -1.042 -5.934 29 H ILE 4 H ILE 4 8.104 5.118 -3.516 30 HA ILE 4 HA ILE 4 8.060 3.779 -6.143 31 HB ILE 4 HB ILE 4 7.063 6.578 -5.772 32 HG12 ILE 4 HG12 ILE 4 4.738 5.306 -5.720 33 HG13 ILE 4 HG13 ILE 4 5.704 4.041 -4.969 34 HG21 ILE 4 HG21 ILE 4 6.838 4.411 -7.798 35 HG22 ILE 4 HG22 ILE 4 5.517 5.571 -7.652 36 HG23 ILE 4 HG23 ILE 4 7.148 6.134 -8.014 37 HD11 ILE 4 HD11 ILE 4 4.680 6.483 -3.848 38 HD12 ILE 4 HD12 ILE 4 5.379 5.078 -3.044 39 HD13 ILE 4 HD13 ILE 4 6.427 6.367 -3.636 40 H CYS 5 H CYS 5 10.047 5.340 -4.116 41 HA CYS 5 HA CYS 5 12.040 6.410 -4.338 42 HB2 CYS 5 HB2 CYS 5 12.565 4.700 -5.981 43 HB3 CYS 5 HB3 CYS 5 11.705 5.594 -7.231 44 H ALA 6 H ALA 6 11.857 8.516 -3.922 45 HA ALA 6 HA ALA 6 10.453 10.272 -5.771 46 HB1 ALA 6 HB1 ALA 6 10.025 11.551 -3.993 47 HB2 ALA 6 HB2 ALA 6 10.657 10.218 -3.026 48 HB3 ALA 6 HB3 ALA 6 11.714 11.554 -3.483 49 H ASN 7 H ASN 7 13.700 9.569 -4.687 50 HA ASN 7 HA ASN 7 14.935 10.694 -6.925 51 HB2 ASN 7 HB2 ASN 7 14.167 12.667 -5.086 52 HB3 ASN 7 HB3 ASN 7 15.897 12.451 -4.836 53 HD21 ASN 7 HD21 ASN 7 13.627 14.089 -6.559 54 HD22 ASN 7 HD22 ASN 7 14.588 14.577 -7.909 55 H ARG 8 H ARG 8 17.412 11.305 -6.160 56 HA ARG 8 HA ARG 8 18.612 8.893 -5.555 57 HB2 ARG 8 HB2 ARG 8 19.819 11.576 -4.885 58 HB3 ARG 8 HB3 ARG 8 20.664 10.094 -5.310 59 HG2 ARG 8 HG2 ARG 8 18.906 10.711 -7.439 60 HG3 ARG 8 HG3 ARG 8 19.773 12.187 -7.007 61 HD2 ARG 8 HD2 ARG 8 21.387 9.719 -7.160 62 HD3 ARG 8 HD3 ARG 8 20.743 10.322 -8.687 63 HE ARG 8 HE ARG 8 21.916 12.455 -7.296 64 HH11 ARG 8 HH11 ARG 8 22.815 9.514 -8.928 65 HH12 ARG 8 HH12 ARG 8 24.384 10.092 -9.382 66 HH21 ARG 8 HH21 ARG 8 23.979 13.227 -7.888 67 HH22 ARG 8 HH22 ARG 8 25.045 12.204 -8.790 68 H SER 9 H SER 9 17.404 11.363 -3.402 69 HA SER 9 HA SER 9 18.713 10.577 -1.045 70 HB2 SER 9 HB2 SER 9 17.278 12.687 -1.527 71 HB3 SER 9 HB3 SER 9 15.913 11.678 -1.049 72 HG SER 9 HG SER 9 18.222 11.995 0.558 73 H VAL 10 H VAL 10 15.854 9.359 -2.656 74 HA VAL 10 HA VAL 10 15.788 7.135 -0.740 75 HB VAL 10 HB VAL 10 13.243 7.156 -1.033 76 HG11 VAL 10 HG11 VAL 10 14.843 8.097 0.919 77 HG12 VAL 10 HG12 VAL 10 13.945 9.561 0.519 78 HG13 VAL 10 HG13 VAL 10 13.082 8.103 1.009 79 HG21 VAL 10 HG21 VAL 10 13.761 9.192 -2.780 80 HG22 VAL 10 HG22 VAL 10 12.196 8.866 -2.037 81 HG23 VAL 10 HG23 VAL 10 13.276 10.066 -1.328 82 H CYS 11 H CYS 11 16.929 6.001 -2.417 83 HA CYS 11 HA CYS 11 15.148 4.636 -4.208 84 HB2 CYS 11 HB2 CYS 11 16.220 6.898 -5.270 85 HB3 CYS 11 HB3 CYS 11 17.450 5.717 -5.706 86 HA PRO 12 HA PRO 12 18.717 2.189 -2.538 87 HB2 PRO 12 HB2 PRO 12 17.191 0.109 -1.692 88 HB3 PRO 12 HB3 PRO 12 17.497 1.542 -0.702 89 HG2 PRO 12 HG2 PRO 12 15.103 0.866 -2.368 90 HG3 PRO 12 HG3 PRO 12 15.172 1.563 -0.738 91 HD2 PRO 12 HD2 PRO 12 14.734 3.066 -2.948 92 HD3 PRO 12 HD3 PRO 12 15.601 3.686 -1.528 93 H ILE 13 H ILE 13 18.681 2.311 -5.118 94 HA ILE 13 HA ILE 13 18.107 -0.413 -6.089 95 HB ILE 13 HB ILE 13 17.996 0.586 -8.373 96 HG12 ILE 13 HG12 ILE 13 17.361 3.269 -7.475 97 HG13 ILE 13 HG13 ILE 13 19.021 2.842 -7.076 98 HG21 ILE 13 HG21 ILE 13 16.008 1.558 -6.327 99 HG22 ILE 13 HG22 ILE 13 15.738 1.573 -8.070 100 HG23 ILE 13 HG23 ILE 13 15.957 0.041 -7.225 101 HD11 ILE 13 HD11 ILE 13 18.812 1.982 -9.656 102 HD12 ILE 13 HD12 ILE 13 17.801 3.427 -9.654 103 HD13 ILE 13 HD13 ILE 13 19.485 3.529 -9.141 Start of MODEL 2 1 H1 SER 1 H SER 1 1.733 -0.710 0.548 2 HA SER 1 HA SER 1 2.069 -1.087 -1.949 3 HB2 SER 1 HB2 SER 1 1.628 0.623 -3.386 4 HB3 SER 1 HB3 SER 1 0.548 1.146 -2.094 5 HG SER 1 HG SER 1 1.762 2.901 -2.496 6 H LYS 2 H LYS 2 4.172 -0.899 -2.755 7 HA LYS 2 HA LYS 2 6.165 -0.338 -0.784 8 HB2 LYS 2 HB2 LYS 2 6.038 -1.605 -3.408 9 HB3 LYS 2 HB3 LYS 2 7.501 -0.652 -3.193 10 HG2 LYS 2 HG2 LYS 2 8.084 -2.789 -2.474 11 HG3 LYS 2 HG3 LYS 2 7.776 -1.897 -0.982 12 HD2 LYS 2 HD2 LYS 2 5.308 -2.884 -1.508 13 HD3 LYS 2 HD3 LYS 2 6.325 -4.165 -2.170 14 HE2 LYS 2 HE2 LYS 2 7.596 -4.016 0.062 15 HE3 LYS 2 HE3 LYS 2 6.185 -3.132 0.643 16 HZ1 LYS 2 HZ1 LYS 2 5.990 -5.805 -0.620 17 HZ2 LYS 2 HZ2 LYS 2 6.182 -5.595 1.048 18 HZ3 LYS 2 HZ3 LYS 2 4.807 -4.988 0.271 19 H TRP 3 H TRP 3 8.206 0.913 -1.595 20 HA TRP 3 HA TRP 3 7.455 3.633 -1.833 21 HB2 TRP 3 HB2 TRP 3 9.624 4.082 -1.339 22 HB3 TRP 3 HB3 TRP 3 9.673 2.368 -0.936 23 HD1 TRP 3 HD1 TRP 3 11.695 4.739 -2.669 24 HE1 TRP 3 HE1 TRP 3 13.152 3.650 -4.490 25 HE3 TRP 3 HE3 TRP 3 9.278 0.251 -3.066 26 HZ2 TRP 3 HZ2 TRP 3 13.262 1.211 -5.908 27 HZ3 TRP 3 HZ3 TRP 3 10.123 -1.404 -4.679 28 HH2 TRP 3 HH2 TRP 3 12.073 -0.932 -6.070 29 H ILE 4 H ILE 4 8.127 5.124 -3.525 30 HA ILE 4 HA ILE 4 8.121 3.856 -6.187 31 HB ILE 4 HB ILE 4 7.093 6.634 -5.751 32 HG12 ILE 4 HG12 ILE 4 4.781 5.340 -5.756 33 HG13 ILE 4 HG13 ILE 4 5.752 4.064 -5.030 34 HG21 ILE 4 HG21 ILE 4 6.287 6.459 -7.853 35 HG22 ILE 4 HG22 ILE 4 7.536 5.222 -7.995 36 HG23 ILE 4 HG23 ILE 4 5.867 4.756 -7.665 37 HD11 ILE 4 HD11 ILE 4 4.690 6.462 -3.852 38 HD12 ILE 4 HD12 ILE 4 5.402 5.046 -3.080 39 HD13 ILE 4 HD13 ILE 4 6.437 6.364 -3.630 40 H CYS 5 H CYS 5 10.073 5.380 -4.099 41 HA CYS 5 HA CYS 5 12.058 6.474 -4.272 42 HB2 CYS 5 HB2 CYS 5 12.616 4.815 -5.955 43 HB3 CYS 5 HB3 CYS 5 11.759 5.734 -7.189 44 H ALA 6 H ALA 6 11.850 8.566 -3.801 45 HA ALA 6 HA ALA 6 10.448 10.359 -5.615 46 HB1 ALA 6 HB1 ALA 6 11.673 11.592 -3.283 47 HB2 ALA 6 HB2 ALA 6 9.989 11.583 -3.807 48 HB3 ALA 6 HB3 ALA 6 10.628 10.232 -2.871 49 H ASN 7 H ASN 7 13.691 9.658 -4.518 50 HA ASN 7 HA ASN 7 14.936 10.853 -6.713 51 HB2 ASN 7 HB2 ASN 7 14.132 12.769 -4.829 52 HB3 ASN 7 HB3 ASN 7 15.861 12.563 -4.568 53 HD21 ASN 7 HD21 ASN 7 13.592 14.225 -6.269 54 HD22 ASN 7 HD22 ASN 7 14.562 14.758 -7.596 55 H ARG 8 H ARG 8 17.400 11.468 -5.907 56 HA ARG 8 HA ARG 8 18.618 9.051 -5.355 57 HB2 ARG 8 HB2 ARG 8 19.792 11.727 -4.601 58 HB3 ARG 8 HB3 ARG 8 20.655 10.264 -5.057 59 HG2 ARG 8 HG2 ARG 8 18.912 10.923 -7.186 60 HG3 ARG 8 HG3 ARG 8 19.761 12.394 -6.707 61 HD2 ARG 8 HD2 ARG 8 21.830 10.727 -6.692 62 HD3 ARG 8 HD3 ARG 8 20.819 9.868 -7.852 63 HE ARG 8 HE ARG 8 20.823 12.466 -8.711 64 HH11 ARG 8 HH11 ARG 8 23.255 10.066 -8.047 65 HH12 ARG 8 HH12 ARG 8 24.366 10.677 -9.227 66 HH21 ARG 8 HH21 ARG 8 22.277 13.280 -10.268 67 HH22 ARG 8 HH22 ARG 8 23.809 12.506 -10.489 68 H SER 9 H SER 9 17.364 11.450 -3.149 69 HA SER 9 HA SER 9 18.657 10.614 -0.800 70 HB2 SER 9 HB2 SER 9 17.207 12.722 -1.241 71 HB3 SER 9 HB3 SER 9 15.847 11.688 -0.802 72 HG SER 9 HG SER 9 18.054 12.469 0.777 73 H VAL 10 H VAL 10 15.827 9.413 -2.473 74 HA VAL 10 HA VAL 10 15.764 7.137 -0.618 75 HB VAL 10 HB VAL 10 13.221 7.142 -0.935 76 HG11 VAL 10 HG11 VAL 10 13.028 8.038 1.129 77 HG12 VAL 10 HG12 VAL 10 14.791 8.040 1.058 78 HG13 VAL 10 HG13 VAL 10 13.891 9.511 0.688 79 HG21 VAL 10 HG21 VAL 10 13.737 9.230 -2.622 80 HG22 VAL 10 HG22 VAL 10 12.168 8.868 -1.904 81 HG23 VAL 10 HG23 VAL 10 13.228 10.060 -1.151 82 H CYS 11 H CYS 11 16.932 6.060 -2.313 83 HA CYS 11 HA CYS 11 15.181 4.727 -4.158 84 HB2 CYS 11 HB2 CYS 11 16.241 7.027 -5.148 85 HB3 CYS 11 HB3 CYS 11 17.487 5.870 -5.604 86 HA PRO 12 HA PRO 12 18.757 2.270 -2.519 87 HB2 PRO 12 HB2 PRO 12 17.243 0.154 -1.744 88 HB3 PRO 12 HB3 PRO 12 17.525 1.561 -0.713 89 HG2 PRO 12 HG2 PRO 12 15.154 0.909 -2.420 90 HG3 PRO 12 HG3 PRO 12 15.201 1.562 -0.772 91 HD2 PRO 12 HD2 PRO 12 14.770 3.120 -2.945 92 HD3 PRO 12 HD3 PRO 12 15.617 3.709 -1.500 93 H ILE 13 H ILE 13 18.744 2.460 -5.095 94 HA ILE 13 HA ILE 13 18.044 -0.170 -6.213 95 HB ILE 13 HB ILE 13 17.049 1.757 -7.378 96 HG12 ILE 13 HG12 ILE 13 17.794 1.151 -9.654 97 HG13 ILE 13 HG13 ILE 13 19.189 0.324 -8.969 98 HG21 ILE 13 HG21 ILE 13 18.744 3.424 -6.916 99 HG22 ILE 13 HG22 ILE 13 19.912 2.546 -7.904 100 HG23 ILE 13 HG23 ILE 13 18.498 3.283 -8.657 101 HD11 ILE 13 HD11 ILE 13 16.684 -0.595 -7.833 102 HD12 ILE 13 HD12 ILE 13 16.765 -0.808 -9.581 103 HD13 ILE 13 HD13 ILE 13 18.011 -1.509 -8.549 Start of MODEL 3 1 H1 SER 1 H SER 1 1.939 -0.360 -3.251 2 HA SER 1 HA SER 1 1.395 1.231 -0.841 3 HB2 SER 1 HB2 SER 1 0.494 -1.047 -0.797 4 HB3 SER 1 HB3 SER 1 2.100 -1.702 -1.117 5 HG SER 1 HG SER 1 2.200 -1.751 0.989 6 H LYS 2 H LYS 2 3.948 -0.653 -2.432 7 HA LYS 2 HA LYS 2 5.992 0.000 -0.592 8 HB2 LYS 2 HB2 LYS 2 5.775 -1.356 -3.168 9 HB3 LYS 2 HB3 LYS 2 7.277 -0.456 -3.004 10 HG2 LYS 2 HG2 LYS 2 7.731 -2.632 -2.238 11 HG3 LYS 2 HG3 LYS 2 7.595 -1.629 -0.792 12 HD2 LYS 2 HD2 LYS 2 5.627 -2.598 -0.139 13 HD3 LYS 2 HD3 LYS 2 5.145 -2.987 -1.792 14 HE2 LYS 2 HE2 LYS 2 5.917 -5.054 -1.544 15 HE3 LYS 2 HE3 LYS 2 7.524 -4.425 -1.187 16 HZ1 LYS 2 HZ1 LYS 2 7.151 -4.510 1.070 17 HZ2 LYS 2 HZ2 LYS 2 5.467 -4.481 0.918 18 HZ3 LYS 2 HZ3 LYS 2 6.325 -5.889 0.544 19 H TRP 3 H TRP 3 8.061 1.145 -1.479 20 HA TRP 3 HA TRP 3 7.404 3.879 -1.814 21 HB2 TRP 3 HB2 TRP 3 9.595 4.268 -1.368 22 HB3 TRP 3 HB3 TRP 3 9.589 2.571 -0.898 23 HD1 TRP 3 HD1 TRP 3 11.668 4.797 -2.750 24 HE1 TRP 3 HE1 TRP 3 13.058 3.586 -4.547 25 HE3 TRP 3 HE3 TRP 3 9.087 0.388 -2.938 26 HZ2 TRP 3 HZ2 TRP 3 13.059 1.092 -5.869 27 HZ3 TRP 3 HZ3 TRP 3 9.847 -1.358 -4.496 28 HH2 TRP 3 HH2 TRP 3 11.792 -1.011 -5.931 29 H ILE 4 H ILE 4 8.104 5.278 -3.572 30 HA ILE 4 HA ILE 4 8.012 3.909 -6.182 31 HB ILE 4 HB ILE 4 7.091 6.737 -5.842 32 HG12 ILE 4 HG12 ILE 4 4.734 5.529 -5.764 33 HG13 ILE 4 HG13 ILE 4 5.670 4.247 -5.002 34 HG21 ILE 4 HG21 ILE 4 6.744 6.497 -8.020 35 HG22 ILE 4 HG22 ILE 4 7.198 4.794 -7.942 36 HG23 ILE 4 HG23 ILE 4 5.525 5.275 -7.659 37 HD11 ILE 4 HD11 ILE 4 4.716 6.729 -3.906 38 HD12 ILE 4 HD12 ILE 4 5.380 5.316 -3.088 39 HD13 ILE 4 HD13 ILE 4 6.460 6.569 -3.700 40 H CYS 5 H CYS 5 10.048 5.441 -4.182 41 HA CYS 5 HA CYS 5 12.069 6.455 -4.425 42 HB2 CYS 5 HB2 CYS 5 12.542 4.712 -6.049 43 HB3 CYS 5 HB3 CYS 5 11.700 5.614 -7.306 44 H ALA 6 H ALA 6 11.943 8.570 -4.034 45 HA ALA 6 HA ALA 6 10.578 10.340 -5.898 46 HB1 ALA 6 HB1 ALA 6 10.791 10.314 -3.155 47 HB2 ALA 6 HB2 ALA 6 11.883 11.614 -3.631 48 HB3 ALA 6 HB3 ALA 6 10.193 11.653 -4.135 49 H ASN 7 H ASN 7 13.810 9.565 -4.818 50 HA ASN 7 HA ASN 7 15.065 10.629 -7.075 51 HB2 ASN 7 HB2 ASN 7 14.357 12.644 -5.257 52 HB3 ASN 7 HB3 ASN 7 16.082 12.386 -5.013 53 HD21 ASN 7 HD21 ASN 7 13.849 14.063 -6.745 54 HD22 ASN 7 HD22 ASN 7 14.816 14.509 -8.105 55 H ARG 8 H ARG 8 17.560 11.185 -6.327 56 HA ARG 8 HA ARG 8 18.699 8.749 -5.698 57 HB2 ARG 8 HB2 ARG 8 19.979 11.408 -5.065 58 HB3 ARG 8 HB3 ARG 8 20.782 9.898 -5.476 59 HG2 ARG 8 HG2 ARG 8 19.033 10.536 -7.605 60 HG3 ARG 8 HG3 ARG 8 19.940 11.993 -7.195 61 HD2 ARG 8 HD2 ARG 8 21.109 9.280 -7.805 62 HD3 ARG 8 HD3 ARG 8 21.107 10.675 -8.883 63 HE ARG 8 HE ARG 8 22.852 10.213 -6.638 64 HH11 ARG 8 HH11 ARG 8 21.471 12.592 -8.772 65 HH12 ARG 8 HH12 ARG 8 22.737 13.746 -8.518 66 HH21 ARG 8 HH21 ARG 8 24.526 11.725 -6.295 67 HH22 ARG 8 HH22 ARG 8 24.475 13.252 -7.109 68 H SER 9 H SER 9 17.565 11.276 -3.571 69 HA SER 9 HA SER 9 18.863 10.485 -1.209 70 HB2 SER 9 HB2 SER 9 17.482 12.625 -1.712 71 HB3 SER 9 HB3 SER 9 16.093 11.659 -1.215 72 HG SER 9 HG SER 9 16.761 11.711 0.797 73 H VAL 10 H VAL 10 15.966 9.323 -2.794 74 HA VAL 10 HA VAL 10 15.850 7.124 -0.851 75 HB VAL 10 HB VAL 10 13.305 7.209 -1.134 76 HG11 VAL 10 HG11 VAL 10 14.082 9.613 0.386 77 HG12 VAL 10 HG12 VAL 10 13.175 8.189 0.896 78 HG13 VAL 10 HG13 VAL 10 14.935 8.126 0.802 79 HG21 VAL 10 HG21 VAL 10 13.870 9.210 -2.908 80 HG22 VAL 10 HG22 VAL 10 12.299 8.934 -2.154 81 HG23 VAL 10 HG23 VAL 10 13.413 10.114 -1.464 82 H CYS 11 H CYS 11 16.953 5.941 -2.518 83 HA CYS 11 HA CYS 11 15.129 4.602 -4.286 84 HB2 CYS 11 HB2 CYS 11 16.256 6.822 -5.379 85 HB3 CYS 11 HB3 CYS 11 17.453 5.603 -5.806 86 HA PRO 12 HA PRO 12 18.639 2.082 -2.600 87 HB2 PRO 12 HB2 PRO 12 17.062 0.053 -1.722 88 HB3 PRO 12 HB3 PRO 12 17.410 1.489 -0.751 89 HG2 PRO 12 HG2 PRO 12 14.992 0.857 -2.399 90 HG3 PRO 12 HG3 PRO 12 15.086 1.572 -0.779 91 HD2 PRO 12 HD2 PRO 12 14.679 3.058 -3.005 92 HD3 PRO 12 HD3 PRO 12 15.568 3.672 -1.596 93 H ILE 13 H ILE 13 18.595 2.173 -5.181 94 HA ILE 13 HA ILE 13 17.830 -0.496 -6.164 95 HB ILE 13 HB ILE 13 17.873 0.429 -8.418 96 HG12 ILE 13 HG12 ILE 13 17.884 3.216 -7.947 97 HG13 ILE 13 HG13 ILE 13 19.290 2.565 -7.113 98 HG21 ILE 13 HG21 ILE 13 15.918 0.755 -6.613 99 HG22 ILE 13 HG22 ILE 13 16.211 2.442 -7.038 100 HG23 ILE 13 HG23 ILE 13 15.781 1.279 -8.291 101 HD11 ILE 13 HD11 ILE 13 20.350 2.058 -9.026 102 HD12 ILE 13 HD12 ILE 13 18.865 1.589 -9.854 103 HD13 ILE 13 HD13 ILE 13 19.283 3.295 -9.691 Start of MODEL 4 1 H1 SER 1 H SER 1 1.149 -0.375 0.302 2 HA SER 1 HA SER 1 2.143 -0.861 -1.710 3 HB2 SER 1 HB2 SER 1 2.038 0.607 -3.526 4 HB3 SER 1 HB3 SER 1 0.648 1.096 -2.556 5 HG SER 1 HG SER 1 1.798 2.925 -3.137 6 H LYS 2 H LYS 2 4.277 -0.911 -2.444 7 HA LYS 2 HA LYS 2 6.245 -0.157 -0.585 8 HB2 LYS 2 HB2 LYS 2 6.145 -1.516 -3.165 9 HB3 LYS 2 HB3 LYS 2 7.608 -0.560 -2.966 10 HG2 LYS 2 HG2 LYS 2 8.285 -2.558 -2.095 11 HG3 LYS 2 HG3 LYS 2 7.702 -1.754 -0.636 12 HD2 LYS 2 HD2 LYS 2 6.234 -3.389 -0.305 13 HD3 LYS 2 HD3 LYS 2 5.506 -3.073 -1.882 14 HE2 LYS 2 HE2 LYS 2 6.968 -4.604 -2.957 15 HE3 LYS 2 HE3 LYS 2 7.983 -4.744 -1.522 16 HZ1 LYS 2 HZ1 LYS 2 6.641 -6.671 -1.622 17 HZ2 LYS 2 HZ2 LYS 2 5.995 -5.713 -0.386 18 HZ3 LYS 2 HZ3 LYS 2 5.230 -5.778 -1.893 19 H TRP 3 H TRP 3 8.299 1.060 -1.416 20 HA TRP 3 HA TRP 3 7.558 3.771 -1.760 21 HB2 TRP 3 HB2 TRP 3 9.722 4.233 -1.257 22 HB3 TRP 3 HB3 TRP 3 9.762 2.535 -0.793 23 HD1 TRP 3 HD1 TRP 3 11.810 4.837 -2.585 24 HE1 TRP 3 HE1 TRP 3 13.285 3.681 -4.349 25 HE3 TRP 3 HE3 TRP 3 9.386 0.344 -2.851 26 HZ2 TRP 3 HZ2 TRP 3 13.405 1.194 -5.678 27 HZ3 TRP 3 HZ3 TRP 3 10.245 -1.370 -4.394 28 HH2 TRP 3 HH2 TRP 3 12.213 -0.951 -5.778 29 H ILE 4 H ILE 4 8.253 5.199 -3.495 30 HA ILE 4 HA ILE 4 8.274 3.838 -6.111 31 HB ILE 4 HB ILE 4 7.249 6.632 -5.786 32 HG12 ILE 4 HG12 ILE 4 4.933 5.344 -5.772 33 HG13 ILE 4 HG13 ILE 4 5.892 4.092 -4.990 34 HG21 ILE 4 HG21 ILE 4 6.938 4.408 -7.769 35 HG22 ILE 4 HG22 ILE 4 5.789 5.745 -7.711 36 HG23 ILE 4 HG23 ILE 4 7.494 6.061 -8.029 37 HD11 ILE 4 HD11 ILE 4 6.569 6.434 -3.662 38 HD12 ILE 4 HD12 ILE 4 4.827 6.536 -3.912 39 HD13 ILE 4 HD13 ILE 4 5.518 5.143 -3.081 40 H CYS 5 H CYS 5 10.206 5.431 -4.056 41 HA CYS 5 HA CYS 5 12.196 6.514 -4.244 42 HB2 CYS 5 HB2 CYS 5 12.768 4.795 -5.861 43 HB3 CYS 5 HB3 CYS 5 11.929 5.671 -7.137 44 H ALA 6 H ALA 6 11.988 8.622 -3.850 45 HA ALA 6 HA ALA 6 10.611 10.352 -5.744 46 HB1 ALA 6 HB1 ALA 6 11.813 11.662 -3.441 47 HB2 ALA 6 HB2 ALA 6 10.136 11.643 -3.987 48 HB3 ALA 6 HB3 ALA 6 10.756 10.323 -2.995 49 H ASN 7 H ASN 7 13.839 9.683 -4.585 50 HA ASN 7 HA ASN 7 15.114 10.797 -6.806 51 HB2 ASN 7 HB2 ASN 7 14.292 12.780 -5.001 52 HB3 ASN 7 HB3 ASN 7 16.018 12.580 -4.713 53 HD21 ASN 7 HD21 ASN 7 13.773 14.185 -6.498 54 HD22 ASN 7 HD22 ASN 7 14.758 14.669 -7.832 55 H ARG 8 H ARG 8 17.569 11.435 -5.993 56 HA ARG 8 HA ARG 8 18.774 9.037 -5.342 57 HB2 ARG 8 HB2 ARG 8 19.946 11.735 -4.670 58 HB3 ARG 8 HB3 ARG 8 20.811 10.255 -5.063 59 HG2 ARG 8 HG2 ARG 8 19.095 10.841 -7.235 60 HG3 ARG 8 HG3 ARG 8 19.942 12.326 -6.798 61 HD2 ARG 8 HD2 ARG 8 21.534 11.467 -8.154 62 HD3 ARG 8 HD3 ARG 8 21.988 10.599 -6.688 63 HE ARG 8 HE ARG 8 21.361 8.656 -7.707 64 HH11 ARG 8 HH11 ARG 8 19.883 11.325 -9.384 65 HH12 ARG 8 HH12 ARG 8 19.233 10.338 -10.651 66 HH21 ARG 8 HH21 ARG 8 20.511 7.346 -9.369 67 HH22 ARG 8 HH22 ARG 8 19.591 8.075 -10.641 68 H SER 9 H SER 9 17.501 11.515 -3.237 69 HA SER 9 HA SER 9 18.765 10.761 -0.845 70 HB2 SER 9 HB2 SER 9 17.326 12.855 -1.376 71 HB3 SER 9 HB3 SER 9 15.958 11.840 -0.919 72 HG SER 9 HG SER 9 16.467 12.486 1.021 73 H VAL 10 H VAL 10 15.951 9.506 -2.507 74 HA VAL 10 HA VAL 10 15.861 7.298 -0.573 75 HB VAL 10 HB VAL 10 13.322 7.297 -0.921 76 HG11 VAL 10 HG11 VAL 10 14.868 8.260 1.059 77 HG12 VAL 10 HG12 VAL 10 13.981 9.721 0.625 78 HG13 VAL 10 HG13 VAL 10 13.106 8.268 1.107 79 HG21 VAL 10 HG21 VAL 10 13.339 10.206 -1.240 80 HG22 VAL 10 HG22 VAL 10 13.863 9.322 -2.674 81 HG23 VAL 10 HG23 VAL 10 12.284 8.991 -1.961 82 H CYS 11 H CYS 11 17.045 6.159 -2.215 83 HA CYS 11 HA CYS 11 15.313 4.765 -4.032 84 HB2 CYS 11 HB2 CYS 11 16.391 7.026 -5.090 85 HB3 CYS 11 HB3 CYS 11 17.639 5.850 -5.490 86 HA PRO 12 HA PRO 12 18.863 2.360 -2.264 87 HB2 PRO 12 HB2 PRO 12 17.335 0.276 -1.433 88 HB3 PRO 12 HB3 PRO 12 17.609 1.719 -0.449 89 HG2 PRO 12 HG2 PRO 12 15.256 1.011 -2.160 90 HG3 PRO 12 HG3 PRO 12 15.285 1.723 -0.536 91 HD2 PRO 12 HD2 PRO 12 14.884 3.203 -2.767 92 HD3 PRO 12 HD3 PRO 12 15.715 3.842 -1.334 93 H ILE 13 H ILE 13 18.882 2.459 -4.846 94 HA ILE 13 HA ILE 13 18.298 -0.259 -5.825 95 HB ILE 13 HB ILE 13 18.281 0.692 -8.100 96 HG12 ILE 13 HG12 ILE 13 17.887 3.456 -7.355 97 HG13 ILE 13 HG13 ILE 13 19.476 2.901 -6.838 98 HG21 ILE 13 HG21 ILE 13 16.141 2.017 -7.818 99 HG22 ILE 13 HG22 ILE 13 16.159 0.403 -7.109 100 HG23 ILE 13 HG23 ILE 13 16.362 1.820 -6.080 101 HD11 ILE 13 HD11 ILE 13 20.181 2.507 -8.995 102 HD12 ILE 13 HD12 ILE 13 18.537 2.361 -9.617 103 HD13 ILE 13 HD13 ILE 13 19.178 3.945 -9.183 Start of MODEL 5 1 H1 SER 1 H SER 1 1.870 -0.836 0.407 2 HA SER 1 HA SER 1 2.155 -0.631 -2.486 3 HB2 SER 1 HB2 SER 1 1.775 1.907 -0.918 4 HB3 SER 1 HB3 SER 1 1.656 1.654 -2.659 5 HG SER 1 HG SER 1 -0.273 1.514 -0.801 6 H LYS 2 H LYS 2 4.250 -0.727 -2.900 7 HA LYS 2 HA LYS 2 6.204 -0.215 -0.846 8 HB2 LYS 2 HB2 LYS 2 6.132 -1.531 -3.449 9 HB3 LYS 2 HB3 LYS 2 7.595 -0.583 -3.215 10 HG2 LYS 2 HG2 LYS 2 8.331 -2.497 -2.289 11 HG3 LYS 2 HG3 LYS 2 7.516 -1.857 -0.860 12 HD2 LYS 2 HD2 LYS 2 5.445 -3.102 -1.740 13 HD3 LYS 2 HD3 LYS 2 6.580 -3.970 -2.776 14 HE2 LYS 2 HE2 LYS 2 7.675 -4.943 -0.960 15 HE3 LYS 2 HE3 LYS 2 7.038 -3.758 0.179 16 HZ1 LYS 2 HZ1 LYS 2 4.807 -4.733 -0.234 17 HZ2 LYS 2 HZ2 LYS 2 5.545 -5.958 -1.138 18 HZ3 LYS 2 HZ3 LYS 2 5.891 -5.798 0.510 19 H TRP 3 H TRP 3 8.269 1.012 -1.633 20 HA TRP 3 HA TRP 3 7.536 3.729 -1.944 21 HB2 TRP 3 HB2 TRP 3 9.694 4.180 -1.408 22 HB3 TRP 3 HB3 TRP 3 9.726 2.474 -0.969 23 HD1 TRP 3 HD1 TRP 3 11.800 4.801 -2.701 24 HE1 TRP 3 HE1 TRP 3 13.295 3.669 -4.464 25 HE3 TRP 3 HE3 TRP 3 9.373 0.316 -3.065 26 HZ2 TRP 3 HZ2 TRP 3 13.427 1.202 -5.829 27 HZ3 TRP 3 HZ3 TRP 3 10.248 -1.375 -4.623 28 HH2 TRP 3 HH2 TRP 3 12.233 -0.939 -5.976 29 H ILE 4 H ILE 4 8.254 5.182 -3.649 30 HA ILE 4 HA ILE 4 8.306 3.862 -6.284 31 HB ILE 4 HB ILE 4 7.281 6.652 -5.929 32 HG12 ILE 4 HG12 ILE 4 4.964 5.367 -5.964 33 HG13 ILE 4 HG13 ILE 4 5.911 4.102 -5.189 34 HG21 ILE 4 HG21 ILE 4 7.170 4.510 -7.982 35 HG22 ILE 4 HG22 ILE 4 5.800 5.615 -7.863 36 HG23 ILE 4 HG23 ILE 4 7.418 6.246 -8.168 37 HD11 ILE 4 HD11 ILE 4 6.576 6.421 -3.816 38 HD12 ILE 4 HD12 ILE 4 4.836 6.532 -4.087 39 HD13 ILE 4 HD13 ILE 4 5.513 5.124 -3.269 40 H CYS 5 H CYS 5 10.214 5.419 -4.181 41 HA CYS 5 HA CYS 5 12.209 6.502 -4.329 42 HB2 CYS 5 HB2 CYS 5 12.798 4.806 -5.965 43 HB3 CYS 5 HB3 CYS 5 11.976 5.704 -7.237 44 H ALA 6 H ALA 6 11.999 8.604 -3.905 45 HA ALA 6 HA ALA 6 10.648 10.365 -5.789 46 HB1 ALA 6 HB1 ALA 6 10.759 10.293 -3.040 47 HB2 ALA 6 HB2 ALA 6 11.823 11.638 -3.452 48 HB3 ALA 6 HB3 ALA 6 10.153 11.629 -4.019 49 H ASN 7 H ASN 7 13.861 9.673 -4.601 50 HA ASN 7 HA ASN 7 15.164 10.819 -6.788 51 HB2 ASN 7 HB2 ASN 7 14.323 12.775 -4.963 52 HB3 ASN 7 HB3 ASN 7 16.045 12.567 -4.657 53 HD21 ASN 7 HD21 ASN 7 13.825 14.204 -6.444 54 HD22 ASN 7 HD22 ASN 7 14.828 14.707 -7.758 55 H ARG 8 H ARG 8 17.611 11.439 -5.936 56 HA ARG 8 HA ARG 8 18.803 9.029 -5.307 57 HB2 ARG 8 HB2 ARG 8 19.972 11.714 -4.579 58 HB3 ARG 8 HB3 ARG 8 20.838 10.239 -4.985 59 HG2 ARG 8 HG2 ARG 8 19.151 10.861 -7.168 60 HG3 ARG 8 HG3 ARG 8 19.993 12.339 -6.697 61 HD2 ARG 8 HD2 ARG 8 21.581 11.484 -8.072 62 HD3 ARG 8 HD3 ARG 8 22.048 10.644 -6.594 63 HE ARG 8 HE ARG 8 21.435 8.675 -7.574 64 HH11 ARG 8 HH11 ARG 8 19.983 11.306 -9.332 65 HH12 ARG 8 HH12 ARG 8 19.366 10.294 -10.595 66 HH21 ARG 8 HH21 ARG 8 20.628 7.331 -9.232 67 HH22 ARG 8 HH22 ARG 8 19.733 8.033 -10.537 68 H SER 9 H SER 9 17.509 11.477 -3.180 69 HA SER 9 HA SER 9 18.742 10.684 -0.785 70 HB2 SER 9 HB2 SER 9 17.312 12.788 -1.302 71 HB3 SER 9 HB3 SER 9 15.938 11.769 -0.876 72 HG SER 9 HG SER 9 16.523 12.665 1.014 73 H VAL 10 H VAL 10 15.946 9.460 -2.500 74 HA VAL 10 HA VAL 10 15.829 7.223 -0.601 75 HB VAL 10 HB VAL 10 13.294 7.232 -0.980 76 HG11 VAL 10 HG11 VAL 10 13.058 8.165 1.061 77 HG12 VAL 10 HG12 VAL 10 14.822 8.167 1.031 78 HG13 VAL 10 HG13 VAL 10 13.931 9.630 0.611 79 HG21 VAL 10 HG21 VAL 10 13.860 9.282 -2.696 80 HG22 VAL 10 HG22 VAL 10 12.272 8.943 -2.008 81 HG23 VAL 10 HG23 VAL 10 13.321 10.145 -1.255 82 H CYS 11 H CYS 11 17.032 6.107 -2.246 83 HA CYS 11 HA CYS 11 15.320 4.744 -4.105 84 HB2 CYS 11 HB2 CYS 11 16.415 7.019 -5.115 85 HB3 CYS 11 HB3 CYS 11 17.665 5.847 -5.518 86 HA PRO 12 HA PRO 12 18.845 2.306 -2.331 87 HB2 PRO 12 HB2 PRO 12 17.303 0.212 -1.550 88 HB3 PRO 12 HB3 PRO 12 17.567 1.639 -0.542 89 HG2 PRO 12 HG2 PRO 12 15.235 0.962 -2.292 90 HG3 PRO 12 HG3 PRO 12 15.244 1.648 -0.656 91 HD2 PRO 12 HD2 PRO 12 14.873 3.163 -2.870 92 HD3 PRO 12 HD3 PRO 12 15.687 3.778 -1.417 93 H ILE 13 H ILE 13 18.895 2.444 -4.910 94 HA ILE 13 HA ILE 13 18.178 -0.186 -6.010 95 HB ILE 13 HB ILE 13 18.621 0.863 -8.234 96 HG12 ILE 13 HG12 ILE 13 18.461 3.543 -6.911 97 HG13 ILE 13 HG13 ILE 13 20.021 2.735 -7.016 98 HG21 ILE 13 HG21 ILE 13 16.585 2.670 -7.253 99 HG22 ILE 13 HG22 ILE 13 16.438 1.287 -8.337 100 HG23 ILE 13 HG23 ILE 13 16.395 1.047 -6.590 101 HD11 ILE 13 HD11 ILE 13 18.263 3.252 -9.395 102 HD12 ILE 13 HD12 ILE 13 19.527 4.355 -8.850 103 HD13 ILE 13 HD13 ILE 13 19.946 2.728 -9.386 Start of MODEL 6 1 H1 SER 1 H SER 1 1.185 1.315 -3.029 2 HA SER 1 HA SER 1 1.430 1.025 -0.782 3 HB2 SER 1 HB2 SER 1 2.183 -1.782 -1.619 4 HB3 SER 1 HB3 SER 1 2.024 -1.270 0.062 5 HG SER 1 HG SER 1 0.061 -2.066 -0.464 6 H LYS 2 H LYS 2 4.071 -0.658 -2.484 7 HA LYS 2 HA LYS 2 6.048 0.014 -0.565 8 HB2 LYS 2 HB2 LYS 2 5.932 -1.352 -3.142 9 HB3 LYS 2 HB3 LYS 2 7.412 -0.423 -2.936 10 HG2 LYS 2 HG2 LYS 2 8.145 -2.301 -1.955 11 HG3 LYS 2 HG3 LYS 2 7.291 -1.664 -0.547 12 HD2 LYS 2 HD2 LYS 2 5.999 -3.473 -0.537 13 HD3 LYS 2 HD3 LYS 2 5.394 -3.035 -2.136 14 HE2 LYS 2 HE2 LYS 2 6.976 -4.370 -3.225 15 HE3 LYS 2 HE3 LYS 2 8.004 -4.474 -1.796 16 HZ1 LYS 2 HZ1 LYS 2 5.366 -5.780 -2.182 17 HZ2 LYS 2 HZ2 LYS 2 6.874 -6.544 -2.099 18 HZ3 LYS 2 HZ3 LYS 2 6.230 -5.790 -0.728 19 H TRP 3 H TRP 3 8.121 1.195 -1.394 20 HA TRP 3 HA TRP 3 7.423 3.915 -1.755 21 HB2 TRP 3 HB2 TRP 3 9.592 4.347 -1.246 22 HB3 TRP 3 HB3 TRP 3 9.604 2.650 -0.773 23 HD1 TRP 3 HD1 TRP 3 11.695 4.911 -2.569 24 HE1 TRP 3 HE1 TRP 3 13.159 3.723 -4.321 25 HE3 TRP 3 HE3 TRP 3 9.203 0.454 -2.821 26 HZ2 TRP 3 HZ2 TRP 3 13.245 1.227 -5.636 27 HZ3 TRP 3 HZ3 TRP 3 10.041 -1.281 -4.351 28 HH2 TRP 3 HH2 TRP 3 12.020 -0.900 -5.729 29 H ILE 4 H ILE 4 8.147 5.323 -3.495 30 HA ILE 4 HA ILE 4 8.158 3.948 -6.103 31 HB ILE 4 HB ILE 4 7.174 6.759 -5.798 32 HG12 ILE 4 HG12 ILE 4 4.839 5.507 -5.786 33 HG13 ILE 4 HG13 ILE 4 5.776 4.244 -4.994 34 HG21 ILE 4 HG21 ILE 4 5.655 5.650 -7.691 35 HG22 ILE 4 HG22 ILE 4 7.244 6.339 -8.025 36 HG23 ILE 4 HG23 ILE 4 7.064 4.597 -7.814 37 HD11 ILE 4 HD11 ILE 4 6.483 6.584 -3.676 38 HD12 ILE 4 HD12 ILE 4 4.743 6.710 -3.932 39 HD13 ILE 4 HD13 ILE 4 5.411 5.311 -3.091 40 H CYS 5 H CYS 5 10.106 5.521 -4.049 41 HA CYS 5 HA CYS 5 12.113 6.573 -4.236 42 HB2 CYS 5 HB2 CYS 5 12.666 4.836 -5.841 43 HB3 CYS 5 HB3 CYS 5 11.844 5.718 -7.124 44 H ALA 6 H ALA 6 11.936 8.686 -3.854 45 HA ALA 6 HA ALA 6 10.593 10.426 -5.762 46 HB1 ALA 6 HB1 ALA 6 10.727 10.410 -3.013 47 HB2 ALA 6 HB2 ALA 6 11.807 11.730 -3.461 48 HB3 ALA 6 HB3 ALA 6 10.132 11.735 -4.014 49 H ASN 7 H ASN 7 13.807 9.714 -4.587 50 HA ASN 7 HA ASN 7 15.106 10.797 -6.808 51 HB2 ASN 7 HB2 ASN 7 14.309 12.802 -5.017 52 HB3 ASN 7 HB3 ASN 7 16.030 12.577 -4.721 53 HD21 ASN 7 HD21 ASN 7 13.818 14.208 -6.523 54 HD22 ASN 7 HD22 ASN 7 14.816 14.669 -7.855 55 H ARG 8 H ARG 8 17.569 11.400 -5.990 56 HA ARG 8 HA ARG 8 18.733 8.988 -5.321 57 HB2 ARG 8 HB2 ARG 8 19.945 11.671 -4.658 58 HB3 ARG 8 HB3 ARG 8 20.788 10.176 -5.041 59 HG2 ARG 8 HG2 ARG 8 19.090 10.777 -7.222 60 HG3 ARG 8 HG3 ARG 8 19.957 12.251 -6.789 61 HD2 ARG 8 HD2 ARG 8 22.050 10.766 -6.743 62 HD3 ARG 8 HD3 ARG 8 21.067 9.587 -7.610 63 HE ARG 8 HE ARG 8 20.761 11.866 -9.053 64 HH11 ARG 8 HH11 ARG 8 23.518 10.060 -7.930 65 HH12 ARG 8 HH12 ARG 8 24.524 10.516 -9.264 66 HH21 ARG 8 HH21 ARG 8 22.077 12.473 -10.815 67 HH22 ARG 8 HH22 ARG 8 23.704 11.889 -10.904 68 H SER 9 H SER 9 17.491 11.497 -3.234 69 HA SER 9 HA SER 9 18.734 10.735 -0.834 70 HB2 SER 9 HB2 SER 9 17.329 12.848 -1.382 71 HB3 SER 9 HB3 SER 9 15.944 11.857 -0.923 72 HG SER 9 HG SER 9 16.920 13.123 0.807 73 H VAL 10 H VAL 10 15.907 9.516 -2.500 74 HA VAL 10 HA VAL 10 15.775 7.319 -0.555 75 HB VAL 10 HB VAL 10 13.238 7.356 -0.913 76 HG11 VAL 10 HG11 VAL 10 14.792 8.304 1.068 77 HG12 VAL 10 HG12 VAL 10 13.929 9.777 0.624 78 HG13 VAL 10 HG13 VAL 10 13.029 8.340 1.109 79 HG21 VAL 10 HG21 VAL 10 12.231 9.060 -1.966 80 HG22 VAL 10 HG22 VAL 10 13.302 10.262 -1.247 81 HG23 VAL 10 HG23 VAL 10 13.817 9.363 -2.674 82 H CYS 11 H CYS 11 16.949 6.154 -2.186 83 HA CYS 11 HA CYS 11 15.202 4.777 -4.003 84 HB2 CYS 11 HB2 CYS 11 16.319 7.016 -5.069 85 HB3 CYS 11 HB3 CYS 11 17.550 5.819 -5.458 86 HA PRO 12 HA PRO 12 18.708 2.327 -2.209 87 HB2 PRO 12 HB2 PRO 12 17.144 0.271 -1.373 88 HB3 PRO 12 HB3 PRO 12 17.437 1.715 -0.396 89 HG2 PRO 12 HG2 PRO 12 15.080 1.034 -2.112 90 HG3 PRO 12 HG3 PRO 12 15.114 1.754 -0.491 91 HD2 PRO 12 HD2 PRO 12 14.744 3.228 -2.732 92 HD3 PRO 12 HD3 PRO 12 15.580 3.861 -1.299 93 H ILE 13 H ILE 13 18.737 2.412 -4.791 94 HA ILE 13 HA ILE 13 18.201 -0.333 -5.724 95 HB ILE 13 HB ILE 13 16.784 1.322 -6.876 96 HG12 ILE 13 HG12 ILE 13 18.571 0.666 -9.090 97 HG13 ILE 13 HG13 ILE 13 18.316 -0.695 -8.003 98 HG21 ILE 13 HG21 ILE 13 17.548 3.195 -7.909 99 HG22 ILE 13 HG22 ILE 13 18.797 3.050 -6.672 100 HG23 ILE 13 HG23 ILE 13 19.106 2.473 -8.310 101 HD11 ILE 13 HD11 ILE 13 15.792 0.043 -8.270 102 HD12 ILE 13 HD12 ILE 13 16.409 0.695 -9.788 103 HD13 ILE 13 HD13 ILE 13 16.587 -1.022 -9.429 Start of MODEL 7 1 H1 SER 1 H SER 1 2.161 1.062 -3.231 2 HA SER 1 HA SER 1 1.424 1.085 -0.740 3 HB2 SER 1 HB2 SER 1 1.753 -1.794 -1.470 4 HB3 SER 1 HB3 SER 1 2.217 -1.280 0.151 5 HG SER 1 HG SER 1 0.112 -0.463 0.423 6 H LYS 2 H LYS 2 3.965 -0.716 -2.454 7 HA LYS 2 HA LYS 2 6.024 -0.098 -0.611 8 HB2 LYS 2 HB2 LYS 2 5.788 -1.423 -3.203 9 HB3 LYS 2 HB3 LYS 2 7.294 -0.532 -3.031 10 HG2 LYS 2 HG2 LYS 2 7.830 -2.645 -2.256 11 HG3 LYS 2 HG3 LYS 2 7.509 -1.744 -0.773 12 HD2 LYS 2 HD2 LYS 2 5.173 -2.641 -0.834 13 HD3 LYS 2 HD3 LYS 2 5.664 -3.668 -2.184 14 HE2 LYS 2 HE2 LYS 2 6.594 -5.147 -0.806 15 HE3 LYS 2 HE3 LYS 2 7.528 -3.889 0.003 16 HZ1 LYS 2 HZ1 LYS 2 5.832 -5.233 1.357 17 HZ2 LYS 2 HZ2 LYS 2 5.878 -3.555 1.568 18 HZ3 LYS 2 HZ3 LYS 2 4.667 -4.255 0.616 19 H TRP 3 H TRP 3 8.086 1.057 -1.497 20 HA TRP 3 HA TRP 3 7.427 3.794 -1.803 21 HB2 TRP 3 HB2 TRP 3 9.620 4.180 -1.366 22 HB3 TRP 3 HB3 TRP 3 9.617 2.478 -0.912 23 HD1 TRP 3 HD1 TRP 3 11.685 4.722 -2.756 24 HE1 TRP 3 HE1 TRP 3 13.065 3.528 -4.571 25 HE3 TRP 3 HE3 TRP 3 9.104 0.314 -2.970 26 HZ2 TRP 3 HZ2 TRP 3 13.059 1.047 -5.916 27 HZ3 TRP 3 HZ3 TRP 3 9.856 -1.417 -4.548 28 HH2 TRP 3 HH2 TRP 3 11.792 -1.057 -5.990 29 H ILE 4 H ILE 4 8.116 5.209 -3.552 30 HA ILE 4 HA ILE 4 8.010 3.864 -6.174 31 HB ILE 4 HB ILE 4 7.090 6.689 -5.803 32 HG12 ILE 4 HG12 ILE 4 4.734 5.478 -5.724 33 HG13 ILE 4 HG13 ILE 4 5.674 4.190 -4.979 34 HG21 ILE 4 HG21 ILE 4 6.813 4.531 -7.825 35 HG22 ILE 4 HG22 ILE 4 5.495 5.692 -7.661 36 HG23 ILE 4 HG23 ILE 4 7.123 6.254 -8.042 37 HD11 ILE 4 HD11 ILE 4 6.475 6.489 -3.654 38 HD12 ILE 4 HD12 ILE 4 4.733 6.671 -3.859 39 HD13 ILE 4 HD13 ILE 4 5.381 5.241 -3.055 40 H CYS 5 H CYS 5 10.057 5.378 -4.172 41 HA CYS 5 HA CYS 5 12.076 6.396 -4.417 42 HB2 CYS 5 HB2 CYS 5 12.539 4.668 -6.060 43 HB3 CYS 5 HB3 CYS 5 11.691 5.580 -7.304 44 H ALA 6 H ALA 6 11.950 8.506 -4.005 45 HA ALA 6 HA ALA 6 10.575 10.293 -5.847 46 HB1 ALA 6 HB1 ALA 6 10.803 10.242 -3.104 47 HB2 ALA 6 HB2 ALA 6 11.889 11.549 -3.575 48 HB3 ALA 6 HB3 ALA 6 10.197 11.588 -4.069 49 H ASN 7 H ASN 7 13.813 9.511 -4.789 50 HA ASN 7 HA ASN 7 15.056 10.596 -7.042 51 HB2 ASN 7 HB2 ASN 7 14.355 12.594 -5.203 52 HB3 ASN 7 HB3 ASN 7 16.081 12.335 -4.969 53 HD21 ASN 7 HD21 ASN 7 13.837 14.022 -6.679 54 HD22 ASN 7 HD22 ASN 7 14.798 14.482 -8.038 55 H ARG 8 H ARG 8 17.555 11.146 -6.303 56 HA ARG 8 HA ARG 8 18.698 8.706 -5.700 57 HB2 ARG 8 HB2 ARG 8 19.980 11.359 -5.051 58 HB3 ARG 8 HB3 ARG 8 20.782 9.853 -5.478 59 HG2 ARG 8 HG2 ARG 8 19.021 10.509 -7.593 60 HG3 ARG 8 HG3 ARG 8 19.928 11.964 -7.174 61 HD2 ARG 8 HD2 ARG 8 21.169 9.268 -7.705 62 HD3 ARG 8 HD3 ARG 8 21.024 10.551 -8.905 63 HE ARG 8 HE ARG 8 22.961 10.367 -6.821 64 HH11 ARG 8 HH11 ARG 8 21.106 12.611 -8.730 65 HH12 ARG 8 HH12 ARG 8 22.253 13.899 -8.567 66 HH21 ARG 8 HH21 ARG 8 24.479 12.055 -6.600 67 HH22 ARG 8 HH22 ARG 8 24.172 13.581 -7.356 68 H SER 9 H SER 9 17.572 11.212 -3.545 69 HA SER 9 HA SER 9 18.882 10.402 -1.197 70 HB2 SER 9 HB2 SER 9 17.498 12.545 -1.674 71 HB3 SER 9 HB3 SER 9 16.112 11.574 -1.179 72 HG SER 9 HG SER 9 16.725 11.772 0.817 73 H VAL 10 H VAL 10 15.979 9.251 -2.778 74 HA VAL 10 HA VAL 10 15.874 7.036 -0.853 75 HB VAL 10 HB VAL 10 13.328 7.121 -1.121 76 HG11 VAL 10 HG11 VAL 10 14.966 8.023 0.813 77 HG12 VAL 10 HG12 VAL 10 14.114 9.514 0.413 78 HG13 VAL 10 HG13 VAL 10 13.207 8.088 0.917 79 HG21 VAL 10 HG21 VAL 10 12.315 8.852 -2.124 80 HG22 VAL 10 HG22 VAL 10 13.429 10.029 -1.428 81 HG23 VAL 10 HG23 VAL 10 13.882 9.138 -2.881 82 H CYS 11 H CYS 11 16.969 5.868 -2.537 83 HA CYS 11 HA CYS 11 15.136 4.544 -4.307 84 HB2 CYS 11 HB2 CYS 11 16.254 6.774 -5.387 85 HB3 CYS 11 HB3 CYS 11 17.451 5.561 -5.830 86 HA PRO 12 HA PRO 12 18.656 2.011 -2.663 87 HB2 PRO 12 HB2 PRO 12 17.085 -0.026 -1.795 88 HB3 PRO 12 HB3 PRO 12 17.438 1.401 -0.813 89 HG2 PRO 12 HG2 PRO 12 15.011 0.783 -2.453 90 HG3 PRO 12 HG3 PRO 12 15.114 1.482 -0.827 91 HD2 PRO 12 HD2 PRO 12 14.694 2.989 -3.037 92 HD3 PRO 12 HD3 PRO 12 15.590 3.591 -1.628 93 H ILE 13 H ILE 13 18.598 2.125 -5.243 94 HA ILE 13 HA ILE 13 17.603 -0.371 -6.381 95 HB ILE 13 HB ILE 13 18.342 0.562 -8.548 96 HG12 ILE 13 HG12 ILE 13 18.917 3.126 -7.071 97 HG13 ILE 13 HG13 ILE 13 20.183 1.963 -7.447 98 HG21 ILE 13 HG21 ILE 13 16.783 2.802 -7.463 99 HG22 ILE 13 HG22 ILE 13 16.411 1.689 -8.781 100 HG23 ILE 13 HG23 ILE 13 16.137 1.199 -7.109 101 HD11 ILE 13 HD11 ILE 13 19.862 3.917 -9.038 102 HD12 ILE 13 HD12 ILE 13 19.967 2.306 -9.746 103 HD13 ILE 13 HD13 ILE 13 18.398 3.091 -9.570 Start of MODEL 8 1 H1 SER 1 H SER 1 0.630 -0.964 -0.283 2 HA SER 1 HA SER 1 2.078 -0.716 -2.107 3 HB2 SER 1 HB2 SER 1 0.426 1.147 -2.071 4 HB3 SER 1 HB3 SER 1 1.602 2.135 -1.203 5 HG SER 1 HG SER 1 2.224 0.932 -3.681 6 H LYS 2 H LYS 2 4.168 -0.643 -2.694 7 HA LYS 2 HA LYS 2 6.142 -0.100 -0.678 8 HB2 LYS 2 HB2 LYS 2 6.041 -1.423 -3.278 9 HB3 LYS 2 HB3 LYS 2 7.512 -0.486 -3.054 10 HG2 LYS 2 HG2 LYS 2 8.197 -2.462 -2.177 11 HG3 LYS 2 HG3 LYS 2 7.517 -1.732 -0.720 12 HD2 LYS 2 HD2 LYS 2 5.533 -3.002 -0.894 13 HD3 LYS 2 HD3 LYS 2 5.901 -3.492 -2.549 14 HE2 LYS 2 HE2 LYS 2 8.048 -4.506 -1.372 15 HE3 LYS 2 HE3 LYS 2 6.976 -4.513 0.028 16 HZ1 LYS 2 HZ1 LYS 2 5.457 -5.547 -1.988 17 HZ2 LYS 2 HZ2 LYS 2 6.983 -6.226 -2.259 18 HZ3 LYS 2 HZ3 LYS 2 6.219 -6.431 -0.763 19 H TRP 3 H TRP 3 8.201 1.118 -1.480 20 HA TRP 3 HA TRP 3 7.474 3.836 -1.802 21 HB2 TRP 3 HB2 TRP 3 9.638 4.283 -1.284 22 HB3 TRP 3 HB3 TRP 3 9.667 2.580 -0.836 23 HD1 TRP 3 HD1 TRP 3 11.737 4.889 -2.595 24 HE1 TRP 3 HE1 TRP 3 13.216 3.742 -4.362 25 HE3 TRP 3 HE3 TRP 3 9.292 0.411 -2.918 26 HZ2 TRP 3 HZ2 TRP 3 13.330 1.267 -5.715 27 HZ3 TRP 3 HZ3 TRP 3 10.150 -1.292 -4.473 28 HH2 TRP 3 HH2 TRP 3 12.127 -0.871 -5.842 29 H ILE 4 H ILE 4 8.186 5.278 -3.520 30 HA ILE 4 HA ILE 4 8.215 3.943 -6.148 31 HB ILE 4 HB ILE 4 7.202 6.739 -5.800 32 HG12 ILE 4 HG12 ILE 4 4.880 5.462 -5.813 33 HG13 ILE 4 HG13 ILE 4 5.828 4.197 -5.039 34 HG21 ILE 4 HG21 ILE 4 7.214 4.658 -7.871 35 HG22 ILE 4 HG22 ILE 4 5.693 5.536 -7.703 36 HG23 ILE 4 HG23 ILE 4 7.188 6.415 -8.024 37 HD11 ILE 4 HD11 ILE 4 6.515 6.510 -3.675 38 HD12 ILE 4 HD12 ILE 4 4.778 6.647 -3.946 39 HD13 ILE 4 HD13 ILE 4 5.433 5.231 -3.123 40 H CYS 5 H CYS 5 10.144 5.504 -4.068 41 HA CYS 5 HA CYS 5 12.141 6.580 -4.235 42 HB2 CYS 5 HB2 CYS 5 12.713 4.873 -5.866 43 HB3 CYS 5 HB3 CYS 5 11.884 5.766 -7.137 44 H ALA 6 H ALA 6 11.941 8.684 -3.821 45 HA ALA 6 HA ALA 6 10.583 10.440 -5.704 46 HB1 ALA 6 HB1 ALA 6 10.715 10.382 -2.955 47 HB2 ALA 6 HB2 ALA 6 11.780 11.722 -3.382 48 HB3 ALA 6 HB3 ALA 6 10.105 11.715 -3.936 49 H ASN 7 H ASN 7 13.802 9.742 -4.535 50 HA ASN 7 HA ASN 7 15.094 10.872 -6.737 51 HB2 ASN 7 HB2 ASN 7 14.273 12.841 -4.917 52 HB3 ASN 7 HB3 ASN 7 15.996 12.629 -4.622 53 HD21 ASN 7 HD21 ASN 7 13.769 14.265 -6.401 54 HD22 ASN 7 HD22 ASN 7 14.764 14.757 -7.725 55 H ARG 8 H ARG 8 17.548 11.488 -5.906 56 HA ARG 8 HA ARG 8 18.737 9.078 -5.272 57 HB2 ARG 8 HB2 ARG 8 19.920 11.763 -4.567 58 HB3 ARG 8 HB3 ARG 8 20.779 10.282 -4.971 59 HG2 ARG 8 HG2 ARG 8 19.078 10.898 -7.146 60 HG3 ARG 8 HG3 ARG 8 19.929 12.376 -6.689 61 HD2 ARG 8 HD2 ARG 8 21.526 11.525 -8.043 62 HD3 ARG 8 HD3 ARG 8 21.967 10.637 -6.585 63 HE ARG 8 HE ARG 8 21.312 8.706 -7.616 64 HH11 ARG 8 HH11 ARG 8 19.951 11.416 -9.327 65 HH12 ARG 8 HH12 ARG 8 19.326 10.451 -10.623 66 HH21 ARG 8 HH21 ARG 8 20.495 7.425 -9.317 67 HH22 ARG 8 HH22 ARG 8 19.636 8.181 -10.616 68 H SER 9 H SER 9 17.467 11.542 -3.150 69 HA SER 9 HA SER 9 18.714 10.756 -0.759 70 HB2 SER 9 HB2 SER 9 17.288 12.863 -1.277 71 HB3 SER 9 HB3 SER 9 15.913 11.851 -0.837 72 HG SER 9 HG SER 9 17.608 13.125 0.771 73 H VAL 10 H VAL 10 15.901 9.535 -2.447 74 HA VAL 10 HA VAL 10 15.789 7.308 -0.536 75 HB VAL 10 HB VAL 10 13.252 7.323 -0.898 76 HG11 VAL 10 HG11 VAL 10 14.790 8.253 1.102 77 HG12 VAL 10 HG12 VAL 10 13.923 9.728 0.675 78 HG13 VAL 10 HG13 VAL 10 13.027 8.281 1.137 79 HG21 VAL 10 HG21 VAL 10 13.813 9.362 -2.628 80 HG22 VAL 10 HG22 VAL 10 12.229 9.032 -1.927 81 HG23 VAL 10 HG23 VAL 10 13.287 10.235 -1.189 82 H CYS 11 H CYS 11 16.977 6.179 -2.183 83 HA CYS 11 HA CYS 11 15.247 4.812 -4.023 84 HB2 CYS 11 HB2 CYS 11 16.342 7.078 -5.053 85 HB3 CYS 11 HB3 CYS 11 17.586 5.900 -5.459 86 HA PRO 12 HA PRO 12 18.776 2.371 -2.262 87 HB2 PRO 12 HB2 PRO 12 17.233 0.287 -1.460 88 HB3 PRO 12 HB3 PRO 12 17.509 1.718 -0.460 89 HG2 PRO 12 HG2 PRO 12 15.162 1.039 -2.190 90 HG3 PRO 12 HG3 PRO 12 15.186 1.734 -0.559 91 HD2 PRO 12 HD2 PRO 12 14.804 3.239 -2.777 92 HD3 PRO 12 HD3 PRO 12 15.630 3.859 -1.333 93 H ILE 13 H ILE 13 18.807 2.497 -4.843 94 HA ILE 13 HA ILE 13 17.832 0.089 -6.115 95 HB ILE 13 HB ILE 13 17.872 2.241 -7.333 96 HG12 ILE 13 HG12 ILE 13 19.661 0.965 -9.128 97 HG13 ILE 13 HG13 ILE 13 18.823 -0.305 -8.243 98 HG21 ILE 13 HG21 ILE 13 20.020 3.107 -8.165 99 HG22 ILE 13 HG22 ILE 13 19.903 3.183 -6.407 100 HG23 ILE 13 HG23 ILE 13 20.866 1.919 -7.173 101 HD11 ILE 13 HD11 ILE 13 16.766 0.289 -9.080 102 HD12 ILE 13 HD12 ILE 13 17.270 1.941 -9.438 103 HD13 ILE 13 HD13 ILE 13 17.829 0.610 -10.451 Start of MODEL 9 1 H1 SER 1 H SER 1 0.994 -0.607 0.022 2 HA SER 1 HA SER 1 2.163 -0.471 -2.524 3 HB2 SER 1 HB2 SER 1 0.363 1.045 -1.698 4 HB3 SER 1 HB3 SER 1 1.554 1.845 -0.672 5 HG SER 1 HG SER 1 1.550 3.044 -2.479 6 H LYS 2 H LYS 2 4.293 -1.140 -2.492 7 HA LYS 2 HA LYS 2 6.284 -0.341 -0.725 8 HB2 LYS 2 HB2 LYS 2 6.157 -1.618 -3.348 9 HB3 LYS 2 HB3 LYS 2 7.612 -0.652 -3.134 10 HG2 LYS 2 HG2 LYS 2 8.474 -2.441 -2.138 11 HG3 LYS 2 HG3 LYS 2 7.435 -2.043 -0.768 12 HD2 LYS 2 HD2 LYS 2 5.659 -3.459 -1.780 13 HD3 LYS 2 HD3 LYS 2 6.807 -3.933 -3.035 14 HE2 LYS 2 HE2 LYS 2 7.047 -5.666 -1.548 15 HE3 LYS 2 HE3 LYS 2 8.310 -4.572 -0.989 16 HZ1 LYS 2 HZ1 LYS 2 7.207 -4.123 0.910 17 HZ2 LYS 2 HZ2 LYS 2 5.676 -4.218 0.196 18 HZ3 LYS 2 HZ3 LYS 2 6.500 -5.633 0.623 19 H TRP 3 H TRP 3 8.294 0.942 -1.542 20 HA TRP 3 HA TRP 3 7.498 3.646 -1.802 21 HB2 TRP 3 HB2 TRP 3 9.660 4.136 -1.319 22 HB3 TRP 3 HB3 TRP 3 9.738 2.427 -0.901 23 HD1 TRP 3 HD1 TRP 3 11.719 4.814 -2.657 24 HE1 TRP 3 HE1 TRP 3 13.189 3.733 -4.473 25 HE3 TRP 3 HE3 TRP 3 9.372 0.286 -3.014 26 HZ2 TRP 3 HZ2 TRP 3 13.334 1.286 -5.872 27 HZ3 TRP 3 HZ3 TRP 3 10.239 -1.369 -4.616 28 HH2 TRP 3 HH2 TRP 3 12.178 -0.877 -6.014 29 H ILE 4 H ILE 4 8.143 5.135 -3.507 30 HA ILE 4 HA ILE 4 8.150 3.847 -6.159 31 HB ILE 4 HB ILE 4 7.080 6.612 -5.740 32 HG12 ILE 4 HG12 ILE 4 4.788 5.281 -5.735 33 HG13 ILE 4 HG13 ILE 4 5.780 4.025 -5.002 34 HG21 ILE 4 HG21 ILE 4 6.809 4.449 -7.789 35 HG22 ILE 4 HG22 ILE 4 5.601 5.728 -7.667 36 HG23 ILE 4 HG23 ILE 4 7.285 6.134 -8.000 37 HD11 ILE 4 HD11 ILE 4 5.389 5.014 -3.061 38 HD12 ILE 4 HD12 ILE 4 6.442 6.321 -3.604 39 HD13 ILE 4 HD13 ILE 4 4.698 6.434 -3.846 40 H CYS 5 H CYS 5 10.082 5.418 -4.088 41 HA CYS 5 HA CYS 5 12.050 6.542 -4.275 42 HB2 CYS 5 HB2 CYS 5 12.629 4.877 -5.946 43 HB3 CYS 5 HB3 CYS 5 11.757 5.773 -7.185 44 H ALA 6 H ALA 6 11.808 8.633 -3.819 45 HA ALA 6 HA ALA 6 10.375 10.389 -5.647 46 HB1 ALA 6 HB1 ALA 6 10.559 10.287 -2.902 47 HB2 ALA 6 HB2 ALA 6 11.584 11.659 -3.325 48 HB3 ALA 6 HB3 ALA 6 9.900 11.622 -3.849 49 H ASN 7 H ASN 7 13.630 9.749 -4.548 50 HA ASN 7 HA ASN 7 14.854 10.946 -6.753 51 HB2 ASN 7 HB2 ASN 7 14.021 12.864 -4.885 52 HB3 ASN 7 HB3 ASN 7 15.754 12.688 -4.624 53 HD21 ASN 7 HD21 ASN 7 13.453 14.293 -6.341 54 HD22 ASN 7 HD22 ASN 7 14.414 14.834 -7.671 55 H ARG 8 H ARG 8 17.309 11.605 -5.957 56 HA ARG 8 HA ARG 8 18.564 9.213 -5.387 57 HB2 ARG 8 HB2 ARG 8 19.698 11.913 -4.658 58 HB3 ARG 8 HB3 ARG 8 20.583 10.460 -5.103 59 HG2 ARG 8 HG2 ARG 8 18.827 11.073 -7.235 60 HG3 ARG 8 HG3 ARG 8 19.654 12.561 -6.770 61 HD2 ARG 8 HD2 ARG 8 21.035 11.553 -8.388 62 HD3 ARG 8 HD3 ARG 8 21.803 11.216 -6.838 63 HE ARG 8 HE ARG 8 20.103 9.083 -7.474 64 HH11 ARG 8 HH11 ARG 8 23.062 10.548 -8.577 65 HH12 ARG 8 HH12 ARG 8 23.711 9.071 -9.210 66 HH21 ARG 8 HH21 ARG 8 20.946 7.133 -8.303 67 HH22 ARG 8 HH22 ARG 8 22.505 7.129 -9.054 68 H SER 9 H SER 9 17.276 11.610 -3.200 69 HA SER 9 HA SER 9 18.586 10.815 -0.846 70 HB2 SER 9 HB2 SER 9 17.103 12.896 -1.301 71 HB3 SER 9 HB3 SER 9 15.760 11.845 -0.853 72 HG SER 9 HG SER 9 17.109 13.190 0.805 73 H VAL 10 H VAL 10 15.773 9.554 -2.504 74 HA VAL 10 HA VAL 10 15.748 7.294 -0.629 75 HB VAL 10 HB VAL 10 13.206 7.256 -0.942 76 HG11 VAL 10 HG11 VAL 10 14.724 8.134 1.060 77 HG12 VAL 10 HG12 VAL 10 13.917 9.649 0.655 78 HG13 VAL 10 HG13 VAL 10 12.964 8.233 1.096 79 HG21 VAL 10 HG21 VAL 10 13.686 9.335 -2.649 80 HG22 VAL 10 HG22 VAL 10 12.123 8.956 -1.924 81 HG23 VAL 10 HG23 VAL 10 13.166 10.171 -1.186 82 H CYS 11 H CYS 11 16.932 6.223 -2.317 83 HA CYS 11 HA CYS 11 15.200 4.845 -4.147 84 HB2 CYS 11 HB2 CYS 11 16.220 7.154 -5.159 85 HB3 CYS 11 HB3 CYS 11 17.484 6.013 -5.607 86 HA PRO 12 HA PRO 12 18.818 2.460 -2.494 87 HB2 PRO 12 HB2 PRO 12 17.340 0.326 -1.701 88 HB3 PRO 12 HB3 PRO 12 17.600 1.746 -0.682 89 HG2 PRO 12 HG2 PRO 12 15.238 1.041 -2.380 90 HG3 PRO 12 HG3 PRO 12 15.276 1.708 -0.738 91 HD2 PRO 12 HD2 PRO 12 14.817 3.241 -2.922 92 HD3 PRO 12 HD3 PRO 12 15.655 3.856 -1.483 93 H ILE 13 H ILE 13 18.800 2.630 -5.072 94 HA ILE 13 HA ILE 13 18.063 0.028 -6.212 95 HB ILE 13 HB ILE 13 17.271 2.041 -7.406 96 HG12 ILE 13 HG12 ILE 13 19.327 0.819 -9.199 97 HG13 ILE 13 HG13 ILE 13 18.103 -0.226 -8.485 98 HG21 ILE 13 HG21 ILE 13 19.707 3.105 -6.806 99 HG22 ILE 13 HG22 ILE 13 19.899 2.702 -8.513 100 HG23 ILE 13 HG23 ILE 13 18.584 3.759 -7.998 101 HD11 ILE 13 HD11 ILE 13 17.646 2.151 -10.267 102 HD12 ILE 13 HD12 ILE 13 17.369 0.451 -10.650 103 HD13 ILE 13 HD13 ILE 13 16.365 1.259 -9.446 Start of MODEL 10 1 H1 SER 1 H SER 1 0.456 -0.119 -0.192 2 HA SER 1 HA SER 1 2.106 -1.172 -1.907 3 HB2 SER 1 HB2 SER 1 2.464 1.315 -2.859 4 HB3 SER 1 HB3 SER 1 0.921 0.468 -2.970 5 HG SER 1 HG SER 1 0.237 2.199 -1.968 6 H LYS 2 H LYS 2 4.203 -0.800 -2.826 7 HA LYS 2 HA LYS 2 6.208 -0.344 -0.799 8 HB2 LYS 2 HB2 LYS 2 6.070 -1.629 -3.417 9 HB3 LYS 2 HB3 LYS 2 7.547 -0.700 -3.195 10 HG2 LYS 2 HG2 LYS 2 8.090 -2.842 -2.461 11 HG3 LYS 2 HG3 LYS 2 7.785 -1.938 -0.975 12 HD2 LYS 2 HD2 LYS 2 5.482 -3.343 -2.205 13 HD3 LYS 2 HD3 LYS 2 6.723 -4.342 -1.445 14 HE2 LYS 2 HE2 LYS 2 6.049 -2.077 0.213 15 HE3 LYS 2 HE3 LYS 2 4.611 -3.016 -0.189 16 HZ1 LYS 2 HZ1 LYS 2 5.236 -4.343 1.466 17 HZ2 LYS 2 HZ2 LYS 2 6.460 -4.906 0.442 18 HZ3 LYS 2 HZ3 LYS 2 6.787 -3.674 1.555 19 H TRP 3 H TRP 3 8.257 0.883 -1.607 20 HA TRP 3 HA TRP 3 7.532 3.605 -1.885 21 HB2 TRP 3 HB2 TRP 3 9.702 4.043 -1.386 22 HB3 TRP 3 HB3 TRP 3 9.734 2.334 -0.960 23 HD1 TRP 3 HD1 TRP 3 11.788 4.662 -2.711 24 HE1 TRP 3 HE1 TRP 3 13.244 3.537 -4.510 25 HE3 TRP 3 HE3 TRP 3 9.329 0.194 -3.068 26 HZ2 TRP 3 HZ2 TRP 3 13.338 1.081 -5.898 27 HZ3 TRP 3 HZ3 TRP 3 10.166 -1.489 -4.656 28 HH2 TRP 3 HH2 TRP 3 12.129 -1.053 -6.041 29 H ILE 4 H ILE 4 8.230 5.069 -3.591 30 HA ILE 4 HA ILE 4 8.225 3.770 -6.237 31 HB ILE 4 HB ILE 4 7.222 6.563 -5.841 32 HG12 ILE 4 HG12 ILE 4 4.897 5.291 -5.844 33 HG13 ILE 4 HG13 ILE 4 5.852 4.014 -5.098 34 HG21 ILE 4 HG21 ILE 4 5.856 4.839 -7.729 35 HG22 ILE 4 HG22 ILE 4 6.632 6.402 -7.983 36 HG23 ILE 4 HG23 ILE 4 7.590 4.923 -8.037 37 HD11 ILE 4 HD11 ILE 4 6.562 6.300 -3.708 38 HD12 ILE 4 HD12 ILE 4 4.824 6.456 -3.962 39 HD13 ILE 4 HD13 ILE 4 5.473 5.023 -3.165 40 H CYS 5 H CYS 5 10.180 5.301 -4.158 41 HA CYS 5 HA CYS 5 12.177 6.375 -4.333 42 HB2 CYS 5 HB2 CYS 5 12.726 4.688 -5.994 43 HB3 CYS 5 HB3 CYS 5 11.887 5.602 -7.243 44 H ALA 6 H ALA 6 11.984 8.474 -3.888 45 HA ALA 6 HA ALA 6 10.610 10.257 -5.734 46 HB1 ALA 6 HB1 ALA 6 11.833 11.504 -3.407 47 HB2 ALA 6 HB2 ALA 6 10.153 11.510 -3.945 48 HB3 ALA 6 HB3 ALA 6 10.768 10.162 -2.988 49 H ASN 7 H ASN 7 13.839 9.540 -4.606 50 HA ASN 7 HA ASN 7 15.111 10.696 -6.806 51 HB2 ASN 7 HB2 ASN 7 14.310 12.643 -4.954 52 HB3 ASN 7 HB3 ASN 7 16.036 12.426 -4.679 53 HD21 ASN 7 HD21 ASN 7 13.789 14.079 -6.421 54 HD22 ASN 7 HD22 ASN 7 14.772 14.589 -7.747 55 H ARG 8 H ARG 8 17.574 11.300 -5.990 56 HA ARG 8 HA ARG 8 18.766 8.881 -5.398 57 HB2 ARG 8 HB2 ARG 8 19.958 11.556 -4.673 58 HB3 ARG 8 HB3 ARG 8 20.812 10.080 -5.101 59 HG2 ARG 8 HG2 ARG 8 19.089 10.726 -7.251 60 HG3 ARG 8 HG3 ARG 8 19.954 12.193 -6.788 61 HD2 ARG 8 HD2 ARG 8 22.025 10.586 -6.755 62 HD3 ARG 8 HD3 ARG 8 21.016 9.600 -7.812 63 HE ARG 8 HE ARG 8 21.345 11.121 -9.490 64 HH11 ARG 8 HH11 ARG 8 22.291 12.542 -6.456 65 HH12 ARG 8 HH12 ARG 8 22.984 13.953 -7.183 66 HH21 ARG 8 HH21 ARG 8 22.255 12.975 -10.460 67 HH22 ARG 8 HH22 ARG 8 22.962 14.199 -9.461 68 H SER 9 H SER 9 17.515 11.318 -3.234 69 HA SER 9 HA SER 9 18.785 10.503 -0.865 70 HB2 SER 9 HB2 SER 9 17.357 12.617 -1.343 71 HB3 SER 9 HB3 SER 9 15.985 11.602 -0.902 72 HG SER 9 HG SER 9 16.502 12.156 1.058 73 H VAL 10 H VAL 10 15.957 9.303 -2.542 74 HA VAL 10 HA VAL 10 15.861 7.053 -0.658 75 HB VAL 10 HB VAL 10 13.322 7.076 -0.990 76 HG11 VAL 10 HG11 VAL 10 14.878 7.978 1.004 77 HG12 VAL 10 HG12 VAL 10 14.017 9.464 0.600 78 HG13 VAL 10 HG13 VAL 10 13.116 8.018 1.056 79 HG21 VAL 10 HG21 VAL 10 12.288 8.794 -1.992 80 HG22 VAL 10 HG22 VAL 10 13.351 9.989 -1.249 81 HG23 VAL 10 HG23 VAL 10 13.866 9.134 -2.704 82 H CYS 11 H CYS 11 17.030 5.944 -2.332 83 HA CYS 11 HA CYS 11 15.279 4.603 -4.171 84 HB2 CYS 11 HB2 CYS 11 16.366 6.880 -5.184 85 HB3 CYS 11 HB3 CYS 11 17.606 5.707 -5.614 86 HA PRO 12 HA PRO 12 18.821 2.134 -2.477 87 HB2 PRO 12 HB2 PRO 12 17.283 0.042 -1.685 88 HB3 PRO 12 HB3 PRO 12 17.571 1.460 -0.671 89 HG2 PRO 12 HG2 PRO 12 15.206 0.808 -2.385 90 HG3 PRO 12 HG3 PRO 12 15.247 1.482 -0.745 91 HD2 PRO 12 HD2 PRO 12 14.846 3.015 -2.940 92 HD3 PRO 12 HD3 PRO 12 15.688 3.615 -1.497 93 H ILE 13 H ILE 13 18.827 2.292 -5.055 94 HA ILE 13 HA ILE 13 18.507 -0.473 -6.004 95 HB ILE 13 HB ILE 13 16.685 0.811 -6.976 96 HG12 ILE 13 HG12 ILE 13 18.825 0.356 -9.063 97 HG13 ILE 13 HG13 ILE 13 17.887 -0.936 -8.320 98 HG21 ILE 13 HG21 ILE 13 17.233 2.678 -8.561 99 HG22 ILE 13 HG22 ILE 13 17.508 3.039 -6.857 100 HG23 ILE 13 HG23 ILE 13 18.872 2.658 -7.908 101 HD11 ILE 13 HD11 ILE 13 17.164 0.934 -10.437 102 HD12 ILE 13 HD12 ILE 13 16.525 -0.666 -10.060 103 HD13 ILE 13 HD13 ILE 13 15.932 0.748 -9.189 Start of MODEL 11 1 H1 SER 1 H SER 1 0.863 0.306 -3.017 2 HA SER 1 HA SER 1 1.467 1.040 -0.797 3 HB2 SER 1 HB2 SER 1 1.922 -1.124 0.344 4 HB3 SER 1 HB3 SER 1 0.608 -1.235 -0.827 5 HG SER 1 HG SER 1 2.269 -2.948 -0.870 6 H LYS 2 H LYS 2 4.082 -0.684 -2.462 7 HA LYS 2 HA LYS 2 6.083 -0.040 -0.553 8 HB2 LYS 2 HB2 LYS 2 5.937 -1.377 -3.145 9 HB3 LYS 2 HB3 LYS 2 7.421 -0.456 -2.939 10 HG2 LYS 2 HG2 LYS 2 7.968 -2.566 -2.149 11 HG3 LYS 2 HG3 LYS 2 7.616 -1.655 -0.679 12 HD2 LYS 2 HD2 LYS 2 6.510 -3.710 -0.403 13 HD3 LYS 2 HD3 LYS 2 5.246 -2.572 -0.875 14 HE2 LYS 2 HE2 LYS 2 5.022 -3.489 -2.977 15 HE3 LYS 2 HE3 LYS 2 6.659 -4.141 -2.982 16 HZ1 LYS 2 HZ1 LYS 2 4.464 -5.603 -2.554 17 HZ2 LYS 2 HZ2 LYS 2 6.001 -6.023 -1.986 18 HZ3 LYS 2 HZ3 LYS 2 4.905 -5.243 -0.960 19 H TRP 3 H TRP 3 8.139 1.158 -1.379 20 HA TRP 3 HA TRP 3 7.432 3.878 -1.718 21 HB2 TRP 3 HB2 TRP 3 9.604 4.312 -1.225 22 HB3 TRP 3 HB3 TRP 3 9.623 2.613 -0.761 23 HD1 TRP 3 HD1 TRP 3 11.697 4.887 -2.559 24 HE1 TRP 3 HE1 TRP 3 13.149 3.712 -4.329 25 HE3 TRP 3 HE3 TRP 3 9.209 0.429 -2.821 26 HZ2 TRP 3 HZ2 TRP 3 13.229 1.225 -5.662 27 HZ3 TRP 3 HZ3 TRP 3 10.037 -1.295 -4.369 28 HH2 TRP 3 HH2 TRP 3 12.006 -0.903 -5.759 29 H ILE 4 H ILE 4 8.143 5.301 -3.454 30 HA ILE 4 HA ILE 4 8.134 3.945 -6.072 31 HB ILE 4 HB ILE 4 7.148 6.752 -5.735 32 HG12 ILE 4 HG12 ILE 4 4.816 5.494 -5.720 33 HG13 ILE 4 HG13 ILE 4 5.760 4.227 -4.945 34 HG21 ILE 4 HG21 ILE 4 6.794 4.538 -7.724 35 HG22 ILE 4 HG22 ILE 4 5.674 5.899 -7.661 36 HG23 ILE 4 HG23 ILE 4 7.385 6.180 -7.981 37 HD11 ILE 4 HD11 ILE 4 4.746 6.700 -3.863 38 HD12 ILE 4 HD12 ILE 4 5.380 5.278 -3.035 39 HD13 ILE 4 HD13 ILE 4 6.482 6.534 -3.598 40 H CYS 5 H CYS 5 10.096 5.505 -4.022 41 HA CYS 5 HA CYS 5 12.100 6.562 -4.216 42 HB2 CYS 5 HB2 CYS 5 12.645 4.838 -5.836 43 HB3 CYS 5 HB3 CYS 5 11.810 5.725 -7.108 44 H ALA 6 H ALA 6 11.919 8.671 -3.816 45 HA ALA 6 HA ALA 6 10.561 10.423 -5.704 46 HB1 ALA 6 HB1 ALA 6 10.107 11.715 -3.942 47 HB2 ALA 6 HB2 ALA 6 10.716 10.387 -2.955 48 HB3 ALA 6 HB3 ALA 6 11.786 11.715 -3.403 49 H ASN 7 H ASN 7 13.784 9.714 -4.549 50 HA ASN 7 HA ASN 7 15.068 10.811 -6.772 51 HB2 ASN 7 HB2 ASN 7 14.275 12.804 -4.965 52 HB3 ASN 7 HB3 ASN 7 15.999 12.582 -4.681 53 HD21 ASN 7 HD21 ASN 7 13.772 14.219 -6.458 54 HD22 ASN 7 HD22 ASN 7 14.760 14.690 -7.795 55 H ARG 8 H ARG 8 17.533 11.417 -5.964 56 HA ARG 8 HA ARG 8 18.709 9.005 -5.316 57 HB2 ARG 8 HB2 ARG 8 19.916 11.687 -4.643 58 HB3 ARG 8 HB3 ARG 8 20.761 10.197 -5.041 59 HG2 ARG 8 HG2 ARG 8 19.050 10.804 -7.209 60 HG3 ARG 8 HG3 ARG 8 19.911 12.281 -6.771 61 HD2 ARG 8 HD2 ARG 8 22.035 11.143 -6.957 62 HD3 ARG 8 HD3 ARG 8 21.219 9.610 -7.265 63 HE ARG 8 HE ARG 8 20.329 11.312 -9.225 64 HH11 ARG 8 HH11 ARG 8 23.420 10.121 -8.154 65 HH12 ARG 8 HH12 ARG 8 24.145 10.210 -9.725 66 HH21 ARG 8 HH21 ARG 8 21.272 11.435 -11.298 67 HH22 ARG 8 HH22 ARG 8 22.923 10.958 -11.513 68 H SER 9 H SER 9 17.469 11.496 -3.208 69 HA SER 9 HA SER 9 18.727 10.724 -0.818 70 HB2 SER 9 HB2 SER 9 17.312 12.836 -1.348 71 HB3 SER 9 HB3 SER 9 15.934 11.838 -0.884 72 HG SER 9 HG SER 9 16.865 13.070 0.861 73 H VAL 10 H VAL 10 15.895 9.507 -2.478 74 HA VAL 10 HA VAL 10 15.781 7.297 -0.547 75 HB VAL 10 HB VAL 10 13.242 7.330 -0.882 76 HG11 VAL 10 HG11 VAL 10 13.039 8.320 1.142 77 HG12 VAL 10 HG12 VAL 10 14.801 8.263 1.094 78 HG13 VAL 10 HG13 VAL 10 13.954 9.747 0.657 79 HG21 VAL 10 HG21 VAL 10 13.285 10.236 -1.201 80 HG22 VAL 10 HG22 VAL 10 13.805 9.353 -2.636 81 HG23 VAL 10 HG23 VAL 10 12.223 9.030 -1.928 82 H CYS 11 H CYS 11 16.942 6.143 -2.193 83 HA CYS 11 HA CYS 11 15.185 4.778 -4.008 84 HB2 CYS 11 HB2 CYS 11 16.286 7.025 -5.067 85 HB3 CYS 11 HB3 CYS 11 17.523 5.839 -5.468 86 HA PRO 12 HA PRO 12 18.708 2.321 -2.256 87 HB2 PRO 12 HB2 PRO 12 17.153 0.260 -1.417 88 HB3 PRO 12 HB3 PRO 12 17.454 1.698 -0.435 89 HG2 PRO 12 HG2 PRO 12 15.082 1.026 -2.133 90 HG3 PRO 12 HG3 PRO 12 15.130 1.736 -0.509 91 HD2 PRO 12 HD2 PRO 12 14.739 3.223 -2.739 92 HD3 PRO 12 HD3 PRO 12 15.587 3.849 -1.310 93 H ILE 13 H ILE 13 18.715 2.420 -4.837 94 HA ILE 13 HA ILE 13 17.728 -0.025 -6.048 95 HB ILE 13 HB ILE 13 17.652 2.100 -7.304 96 HG12 ILE 13 HG12 ILE 13 19.372 0.922 -9.183 97 HG13 ILE 13 HG13 ILE 13 18.762 -0.413 -8.212 98 HG21 ILE 13 HG21 ILE 13 19.472 3.367 -7.826 99 HG22 ILE 13 HG22 ILE 13 20.023 2.700 -6.289 100 HG23 ILE 13 HG23 ILE 13 20.575 1.991 -7.807 101 HD11 ILE 13 HD11 ILE 13 16.811 -0.344 -9.248 102 HD12 ILE 13 HD12 ILE 13 16.628 1.376 -8.906 103 HD13 ILE 13 HD13 ILE 13 17.499 0.851 -10.347 Start of MODEL 12 1 H1 SER 1 H SER 1 1.785 -0.826 0.572 2 HA SER 1 HA SER 1 2.173 -0.610 -2.341 3 HB2 SER 1 HB2 SER 1 2.050 1.974 -1.720 4 HB3 SER 1 HB3 SER 1 0.594 1.043 -2.072 5 HG SER 1 HG SER 1 -0.029 1.326 -0.090 6 H LYS 2 H LYS 2 4.292 -1.111 -2.501 7 HA LYS 2 HA LYS 2 6.274 -0.384 -0.618 8 HB2 LYS 2 HB2 LYS 2 6.164 -1.726 -3.211 9 HB3 LYS 2 HB3 LYS 2 7.626 -0.771 -3.001 10 HG2 LYS 2 HG2 LYS 2 8.418 -2.618 -2.021 11 HG3 LYS 2 HG3 LYS 2 7.503 -2.059 -0.619 12 HD2 LYS 2 HD2 LYS 2 6.233 -3.800 -2.706 13 HD3 LYS 2 HD3 LYS 2 7.194 -4.497 -1.399 14 HE2 LYS 2 HE2 LYS 2 5.610 -4.090 0.146 15 HE3 LYS 2 HE3 LYS 2 5.203 -2.518 -0.541 16 HZ1 LYS 2 HZ1 LYS 2 3.507 -3.386 -1.663 17 HZ2 LYS 2 HZ2 LYS 2 4.414 -4.702 -2.219 18 HZ3 LYS 2 HZ3 LYS 2 3.681 -4.764 -0.696 19 H TRP 3 H TRP 3 8.300 0.863 -1.443 20 HA TRP 3 HA TRP 3 7.526 3.564 -1.788 21 HB2 TRP 3 HB2 TRP 3 9.686 4.053 -1.291 22 HB3 TRP 3 HB3 TRP 3 9.746 2.356 -0.825 23 HD1 TRP 3 HD1 TRP 3 11.767 4.678 -2.621 24 HE1 TRP 3 HE1 TRP 3 13.251 3.538 -4.387 25 HE3 TRP 3 HE3 TRP 3 9.390 0.160 -2.883 26 HZ2 TRP 3 HZ2 TRP 3 13.395 1.051 -5.716 27 HZ3 TRP 3 HZ3 TRP 3 10.264 -1.545 -4.427 28 HH2 TRP 3 HH2 TRP 3 12.225 -1.106 -5.814 29 H ILE 4 H ILE 4 8.198 5.001 -3.525 30 HA ILE 4 HA ILE 4 8.229 3.641 -6.140 31 HB ILE 4 HB ILE 4 7.177 6.425 -5.810 32 HG12 ILE 4 HG12 ILE 4 4.875 5.113 -5.796 33 HG13 ILE 4 HG13 ILE 4 5.847 3.869 -5.017 34 HG21 ILE 4 HG21 ILE 4 6.794 4.188 -7.780 35 HG22 ILE 4 HG22 ILE 4 5.755 5.613 -7.749 36 HG23 ILE 4 HG23 ILE 4 7.483 5.788 -8.057 37 HD11 ILE 4 HD11 ILE 4 4.778 6.324 -3.943 38 HD12 ILE 4 HD12 ILE 4 5.433 4.914 -3.110 39 HD13 ILE 4 HD13 ILE 4 6.515 6.190 -3.670 40 H CYS 5 H CYS 5 10.150 5.252 -4.090 41 HA CYS 5 HA CYS 5 12.129 6.355 -4.284 42 HB2 CYS 5 HB2 CYS 5 12.713 4.640 -5.903 43 HB3 CYS 5 HB3 CYS 5 11.864 5.511 -7.176 44 H ALA 6 H ALA 6 11.902 8.460 -3.889 45 HA ALA 6 HA ALA 6 10.502 10.177 -5.777 46 HB1 ALA 6 HB1 ALA 6 10.656 10.150 -3.031 47 HB2 ALA 6 HB2 ALA 6 11.704 11.496 -3.478 48 HB3 ALA 6 HB3 ALA 6 10.026 11.467 -4.020 49 H ASN 7 H ASN 7 13.742 9.527 -4.645 50 HA ASN 7 HA ASN 7 14.993 10.660 -6.867 51 HB2 ASN 7 HB2 ASN 7 14.169 12.631 -5.050 52 HB3 ASN 7 HB3 ASN 7 15.898 12.443 -4.775 53 HD21 ASN 7 HD21 ASN 7 13.648 14.068 -6.514 54 HD22 ASN 7 HD22 ASN 7 14.613 14.551 -7.863 55 H ARG 8 H ARG 8 17.449 11.315 -6.066 56 HA ARG 8 HA ARG 8 18.677 8.924 -5.431 57 HB2 ARG 8 HB2 ARG 8 19.830 11.630 -4.755 58 HB3 ARG 8 HB3 ARG 8 20.705 10.158 -5.156 59 HG2 ARG 8 HG2 ARG 8 18.969 10.746 -7.316 60 HG3 ARG 8 HG3 ARG 8 19.824 12.227 -6.882 61 HD2 ARG 8 HD2 ARG 8 21.887 10.560 -6.805 62 HD3 ARG 8 HD3 ARG 8 20.875 9.654 -7.930 63 HE ARG 8 HE ARG 8 20.899 12.239 -8.869 64 HH11 ARG 8 HH11 ARG 8 23.265 9.774 -8.204 65 HH12 ARG 8 HH12 ARG 8 24.362 10.312 -9.432 66 HH21 ARG 8 HH21 ARG 8 22.335 12.958 -10.489 67 HH22 ARG 8 HH22 ARG 8 23.833 12.124 -10.730 68 H SER 9 H SER 9 17.406 11.390 -3.308 69 HA SER 9 HA SER 9 18.686 10.633 -0.927 70 HB2 SER 9 HB2 SER 9 17.225 12.716 -1.441 71 HB3 SER 9 HB3 SER 9 15.869 11.688 -0.979 72 HG SER 9 HG SER 9 16.478 12.611 0.889 73 H VAL 10 H VAL 10 15.871 9.363 -2.576 74 HA VAL 10 HA VAL 10 15.811 7.147 -0.648 75 HB VAL 10 HB VAL 10 13.269 7.124 -0.995 76 HG11 VAL 10 HG11 VAL 10 14.806 8.074 0.993 77 HG12 VAL 10 HG12 VAL 10 13.924 9.541 0.568 78 HG13 VAL 10 HG13 VAL 10 13.043 8.087 1.038 79 HG21 VAL 10 HG21 VAL 10 13.288 10.040 -1.303 80 HG22 VAL 10 HG22 VAL 10 13.777 9.149 -2.744 81 HG23 VAL 10 HG23 VAL 10 12.210 8.831 -2.000 82 H CYS 11 H CYS 11 17.003 6.025 -2.297 83 HA CYS 11 HA CYS 11 15.279 4.616 -4.111 84 HB2 CYS 11 HB2 CYS 11 16.344 6.893 -5.164 85 HB3 CYS 11 HB3 CYS 11 17.586 5.716 -5.582 86 HA PRO 12 HA PRO 12 18.860 2.245 -2.360 87 HB2 PRO 12 HB2 PRO 12 17.356 0.144 -1.527 88 HB3 PRO 12 HB3 PRO 12 17.619 1.587 -0.542 89 HG2 PRO 12 HG2 PRO 12 15.268 0.859 -2.245 90 HG3 PRO 12 HG3 PRO 12 15.295 1.567 -0.620 91 HD2 PRO 12 HD2 PRO 12 14.871 3.047 -2.847 92 HD3 PRO 12 HD3 PRO 12 15.700 3.692 -1.416 93 H ILE 13 H ILE 13 18.868 2.349 -4.941 94 HA ILE 13 HA ILE 13 18.177 -0.311 -5.988 95 HB ILE 13 HB ILE 13 18.511 0.696 -8.235 96 HG12 ILE 13 HG12 ILE 13 18.604 3.336 -6.766 97 HG13 ILE 13 HG13 ILE 13 20.033 2.527 -7.402 98 HG21 ILE 13 HG21 ILE 13 16.406 1.334 -6.331 99 HG22 ILE 13 HG22 ILE 13 16.507 2.493 -7.657 100 HG23 ILE 13 HG23 ILE 13 16.293 0.776 -8.000 101 HD11 ILE 13 HD11 ILE 13 17.713 3.644 -8.945 102 HD12 ILE 13 HD12 ILE 13 19.394 4.175 -8.971 103 HD13 ILE 13 HD13 ILE 13 18.952 2.613 -9.659 Start of MODEL 13 1 H1 SER 1 H SER 1 0.319 -0.084 -0.242 2 HA SER 1 HA SER 1 1.982 -0.568 -1.975 3 HB2 SER 1 HB2 SER 1 2.169 1.892 -2.905 4 HB3 SER 1 HB3 SER 1 0.607 1.075 -2.855 5 HG SER 1 HG SER 1 0.010 2.733 -1.717 6 H LYS 2 H LYS 2 4.090 -0.829 -2.279 7 HA LYS 2 HA LYS 2 6.010 0.047 -0.421 8 HB2 LYS 2 HB2 LYS 2 5.975 -1.502 -2.896 9 HB3 LYS 2 HB3 LYS 2 7.447 -0.558 -2.708 10 HG2 LYS 2 HG2 LYS 2 8.152 -2.350 -1.564 11 HG3 LYS 2 HG3 LYS 2 7.234 -1.631 -0.240 12 HD2 LYS 2 HD2 LYS 2 5.272 -2.984 -0.936 13 HD3 LYS 2 HD3 LYS 2 6.286 -3.765 -2.151 14 HE2 LYS 2 HE2 LYS 2 7.823 -4.426 -0.259 15 HE3 LYS 2 HE3 LYS 2 6.563 -3.876 0.845 16 HZ1 LYS 2 HZ1 LYS 2 6.437 -6.110 -1.095 17 HZ2 LYS 2 HZ2 LYS 2 6.244 -6.173 0.585 18 HZ3 LYS 2 HZ3 LYS 2 5.051 -5.457 -0.377 19 H TRP 3 H TRP 3 8.069 1.221 -1.182 20 HA TRP 3 HA TRP 3 7.379 3.884 -1.799 21 HB2 TRP 3 HB2 TRP 3 9.533 4.375 -1.264 22 HB3 TRP 3 HB3 TRP 3 9.525 2.728 -0.642 23 HD1 TRP 3 HD1 TRP 3 11.675 4.830 -2.565 24 HE1 TRP 3 HE1 TRP 3 13.207 3.492 -4.143 25 HE3 TRP 3 HE3 TRP 3 9.212 0.351 -2.482 26 HZ2 TRP 3 HZ2 TRP 3 13.351 0.883 -5.211 27 HZ3 TRP 3 HZ3 TRP 3 10.112 -1.515 -3.810 28 HH2 TRP 3 HH2 TRP 3 12.139 -1.252 -5.146 29 H ILE 4 H ILE 4 8.023 5.167 -3.618 30 HA ILE 4 HA ILE 4 8.235 3.609 -6.112 31 HB ILE 4 HB ILE 4 7.080 6.365 -6.085 32 HG12 ILE 4 HG12 ILE 4 4.813 5.008 -5.990 33 HG13 ILE 4 HG13 ILE 4 5.789 3.865 -5.075 34 HG21 ILE 4 HG21 ILE 4 5.740 5.306 -7.964 35 HG22 ILE 4 HG22 ILE 4 7.471 5.506 -8.242 36 HG23 ILE 4 HG23 ILE 4 6.823 3.922 -7.815 37 HD11 ILE 4 HD11 ILE 4 4.663 6.408 -4.275 38 HD12 ILE 4 HD12 ILE 4 5.274 5.077 -3.292 39 HD13 ILE 4 HD13 ILE 4 6.387 6.292 -3.919 40 H CYS 5 H CYS 5 10.136 5.208 -4.170 41 HA CYS 5 HA CYS 5 12.103 6.331 -4.375 42 HB2 CYS 5 HB2 CYS 5 12.651 4.674 -6.065 43 HB3 CYS 5 HB3 CYS 5 11.767 5.582 -7.287 44 H ALA 6 H ALA 6 11.852 8.418 -3.895 45 HA ALA 6 HA ALA 6 10.413 10.190 -5.702 46 HB1 ALA 6 HB1 ALA 6 9.948 11.407 -3.891 47 HB2 ALA 6 HB2 ALA 6 10.613 10.066 -2.959 48 HB3 ALA 6 HB3 ALA 6 11.635 11.441 -3.378 49 H ASN 7 H ASN 7 13.674 9.540 -4.624 50 HA ASN 7 HA ASN 7 14.888 10.752 -6.827 51 HB2 ASN 7 HB2 ASN 7 14.064 12.657 -4.941 52 HB3 ASN 7 HB3 ASN 7 15.799 12.479 -4.691 53 HD21 ASN 7 HD21 ASN 7 13.494 14.105 -6.376 54 HD22 ASN 7 HD22 ASN 7 14.445 14.651 -7.711 55 H ARG 8 H ARG 8 17.346 11.405 -6.037 56 HA ARG 8 HA ARG 8 18.604 9.009 -5.490 57 HB2 ARG 8 HB2 ARG 8 19.741 11.704 -4.746 58 HB3 ARG 8 HB3 ARG 8 20.624 10.254 -5.206 59 HG2 ARG 8 HG2 ARG 8 18.859 10.882 -7.325 60 HG3 ARG 8 HG3 ARG 8 19.688 12.367 -6.853 61 HD2 ARG 8 HD2 ARG 8 21.334 9.917 -7.091 62 HD3 ARG 8 HD3 ARG 8 20.718 10.617 -8.588 63 HE ARG 8 HE ARG 8 21.957 12.548 -6.871 64 HH11 ARG 8 HH11 ARG 8 22.533 10.122 -9.300 65 HH12 ARG 8 HH12 ARG 8 24.023 10.824 -9.835 66 HH21 ARG 8 HH21 ARG 8 23.918 13.483 -7.567 67 HH22 ARG 8 HH22 ARG 8 24.811 12.736 -8.848 68 H SER 9 H SER 9 17.329 11.392 -3.279 69 HA SER 9 HA SER 9 18.648 10.578 -0.937 70 HB2 SER 9 HB2 SER 9 17.167 12.664 -1.369 71 HB3 SER 9 HB3 SER 9 15.823 11.612 -0.925 72 HG SER 9 HG SER 9 16.616 11.427 1.094 73 H VAL 10 H VAL 10 15.824 9.334 -2.591 74 HA VAL 10 HA VAL 10 15.808 7.058 -0.736 75 HB VAL 10 HB VAL 10 13.265 7.027 -1.021 76 HG11 VAL 10 HG11 VAL 10 13.920 9.419 0.577 77 HG12 VAL 10 HG12 VAL 10 13.078 7.939 1.038 78 HG13 VAL 10 HG13 VAL 10 14.839 7.961 0.950 79 HG21 VAL 10 HG21 VAL 10 13.211 9.940 -1.253 80 HG22 VAL 10 HG22 VAL 10 13.734 9.118 -2.723 81 HG23 VAL 10 HG23 VAL 10 12.175 8.723 -1.999 82 H CYS 11 H CYS 11 16.965 5.983 -2.432 83 HA CYS 11 HA CYS 11 15.214 4.641 -4.270 84 HB2 CYS 11 HB2 CYS 11 16.248 6.946 -5.267 85 HB3 CYS 11 HB3 CYS 11 17.509 5.804 -5.721 86 HA PRO 12 HA PRO 12 18.812 2.204 -2.648 87 HB2 PRO 12 HB2 PRO 12 17.314 0.079 -1.867 88 HB3 PRO 12 HB3 PRO 12 17.593 1.488 -0.837 89 HG2 PRO 12 HG2 PRO 12 15.218 0.822 -2.534 90 HG3 PRO 12 HG3 PRO 12 15.268 1.475 -0.886 91 HD2 PRO 12 HD2 PRO 12 14.819 3.030 -3.056 92 HD3 PRO 12 HD3 PRO 12 15.668 3.624 -1.614 93 H ILE 13 H ILE 13 18.788 2.396 -5.224 94 HA ILE 13 HA ILE 13 18.095 -0.235 -6.342 95 HB ILE 13 HB ILE 13 17.078 1.629 -7.535 96 HG12 ILE 13 HG12 ILE 13 19.346 0.533 -9.202 97 HG13 ILE 13 HG13 ILE 13 17.939 -0.420 -8.746 98 HG21 ILE 13 HG21 ILE 13 19.606 2.855 -7.084 99 HG22 ILE 13 HG22 ILE 13 19.299 2.817 -8.820 100 HG23 ILE 13 HG23 ILE 13 18.131 3.570 -7.734 101 HD11 ILE 13 HD11 ILE 13 17.280 0.295 -10.796 102 HD12 ILE 13 HD12 ILE 13 16.655 1.620 -9.814 103 HD13 ILE 13 HD13 ILE 13 18.179 1.809 -10.682 Start of MODEL 14 1 H1 SER 1 H SER 1 1.699 -1.983 -2.742 2 HA SER 1 HA SER 1 1.865 0.276 -3.097 3 HB2 SER 1 HB2 SER 1 1.456 1.766 -0.964 4 HB3 SER 1 HB3 SER 1 0.100 0.982 -1.772 5 HG SER 1 HG SER 1 0.327 0.762 0.625 6 H LYS 2 H LYS 2 4.126 -0.752 -3.180 7 HA LYS 2 HA LYS 2 5.919 -0.083 -1.034 8 HB2 LYS 2 HB2 LYS 2 6.027 -1.600 -3.507 9 HB3 LYS 2 HB3 LYS 2 7.453 -0.591 -3.310 10 HG2 LYS 2 HG2 LYS 2 6.422 -2.598 -1.315 11 HG3 LYS 2 HG3 LYS 2 7.806 -2.813 -2.390 12 HD2 LYS 2 HD2 LYS 2 8.815 -0.771 -1.304 13 HD3 LYS 2 HD3 LYS 2 7.518 -0.864 -0.111 14 HE2 LYS 2 HE2 LYS 2 8.420 -3.414 -0.073 15 HE3 LYS 2 HE3 LYS 2 9.909 -2.550 -0.455 16 HZ1 LYS 2 HZ1 LYS 2 8.161 -1.747 1.793 17 HZ2 LYS 2 HZ2 LYS 2 9.386 -2.899 1.977 18 HZ3 LYS 2 HZ3 LYS 2 9.773 -1.318 1.515 19 H TRP 3 H TRP 3 8.010 1.130 -1.666 20 HA TRP 3 HA TRP 3 7.324 3.808 -2.210 21 HB2 TRP 3 HB2 TRP 3 9.457 4.292 -1.588 22 HB3 TRP 3 HB3 TRP 3 9.437 2.623 -1.023 23 HD1 TRP 3 HD1 TRP 3 11.639 4.802 -2.798 24 HE1 TRP 3 HE1 TRP 3 13.232 3.527 -4.367 25 HE3 TRP 3 HE3 TRP 3 9.201 0.311 -2.955 26 HZ2 TRP 3 HZ2 TRP 3 13.428 0.958 -5.520 27 HZ3 TRP 3 HZ3 TRP 3 10.157 -1.503 -4.315 28 HH2 TRP 3 HH2 TRP 3 12.227 -1.184 -5.571 29 H ILE 4 H ILE 4 7.999 5.163 -3.956 30 HA ILE 4 HA ILE 4 8.322 3.706 -6.499 31 HB ILE 4 HB ILE 4 7.125 6.443 -6.412 32 HG12 ILE 4 HG12 ILE 4 4.875 5.057 -6.433 33 HG13 ILE 4 HG13 ILE 4 5.836 3.892 -5.529 34 HG21 ILE 4 HG21 ILE 4 6.450 5.995 -8.528 35 HG22 ILE 4 HG22 ILE 4 7.802 4.865 -8.461 36 HG23 ILE 4 HG23 ILE 4 6.157 4.289 -8.191 37 HD11 ILE 4 HD11 ILE 4 4.666 6.403 -4.679 38 HD12 ILE 4 HD12 ILE 4 5.237 5.035 -3.725 39 HD13 ILE 4 HD13 ILE 4 6.374 6.270 -4.261 40 H CYS 5 H CYS 5 10.154 5.216 -4.447 41 HA CYS 5 HA CYS 5 12.112 6.368 -4.545 42 HB2 CYS 5 HB2 CYS 5 12.713 4.814 -6.315 43 HB3 CYS 5 HB3 CYS 5 11.846 5.785 -7.501 44 H ALA 6 H ALA 6 11.825 8.421 -3.950 45 HA ALA 6 HA ALA 6 10.409 10.280 -5.686 46 HB1 ALA 6 HB1 ALA 6 11.564 11.404 -3.264 47 HB2 ALA 6 HB2 ALA 6 9.891 11.388 -3.820 48 HB3 ALA 6 HB3 ALA 6 10.544 10.000 -2.951 49 H ASN 7 H ASN 7 13.651 9.601 -4.568 50 HA ASN 7 HA ASN 7 14.903 10.949 -6.669 51 HB2 ASN 7 HB2 ASN 7 14.014 12.734 -4.697 52 HB3 ASN 7 HB3 ASN 7 15.744 12.559 -4.416 53 HD21 ASN 7 HD21 ASN 7 13.460 14.256 -6.061 54 HD22 ASN 7 HD22 ASN 7 14.437 14.888 -7.339 55 H ARG 8 H ARG 8 17.334 11.580 -5.784 56 HA ARG 8 HA ARG 8 18.606 9.169 -5.344 57 HB2 ARG 8 HB2 ARG 8 19.695 11.828 -4.420 58 HB3 ARG 8 HB3 ARG 8 20.605 10.416 -4.940 59 HG2 ARG 8 HG2 ARG 8 18.883 11.147 -7.062 60 HG3 ARG 8 HG3 ARG 8 19.684 12.610 -6.486 61 HD2 ARG 8 HD2 ARG 8 20.974 11.517 -8.252 62 HD3 ARG 8 HD3 ARG 8 21.854 11.532 -6.724 63 HE ARG 8 HE ARG 8 20.356 9.124 -7.135 64 HH11 ARG 8 HH11 ARG 8 23.345 10.766 -7.834 65 HH12 ARG 8 HH12 ARG 8 24.240 9.304 -8.088 66 HH21 ARG 8 HH21 ARG 8 21.523 7.192 -7.468 67 HH22 ARG 8 HH22 ARG 8 23.202 7.272 -7.881 68 H SER 9 H SER 9 17.252 11.409 -3.032 69 HA SER 9 HA SER 9 18.525 10.474 -0.709 70 HB2 SER 9 HB2 SER 9 17.029 12.567 -1.061 71 HB3 SER 9 HB3 SER 9 15.690 11.478 -0.701 72 HG SER 9 HG SER 9 17.039 10.930 1.237 73 H VAL 10 H VAL 10 15.755 9.301 -2.499 74 HA VAL 10 HA VAL 10 15.719 6.922 -0.779 75 HB VAL 10 HB VAL 10 13.185 6.883 -1.121 76 HG11 VAL 10 HG11 VAL 10 12.935 7.688 0.977 77 HG12 VAL 10 HG12 VAL 10 14.698 7.710 0.936 78 HG13 VAL 10 HG13 VAL 10 13.790 9.189 0.621 79 HG21 VAL 10 HG21 VAL 10 12.099 8.618 -2.032 80 HG22 VAL 10 HG22 VAL 10 13.100 9.803 -1.192 81 HG23 VAL 10 HG23 VAL 10 13.670 9.073 -2.692 82 H CYS 11 H CYS 11 16.923 5.952 -2.504 83 HA CYS 11 HA CYS 11 15.229 4.707 -4.458 84 HB2 CYS 11 HB2 CYS 11 16.264 7.072 -5.296 85 HB3 CYS 11 HB3 CYS 11 17.548 5.970 -5.782 86 HA PRO 12 HA PRO 12 18.806 2.206 -2.891 87 HB2 PRO 12 HB2 PRO 12 17.307 0.029 -2.271 88 HB3 PRO 12 HB3 PRO 12 17.550 1.378 -1.155 89 HG2 PRO 12 HG2 PRO 12 15.222 0.794 -2.945 90 HG3 PRO 12 HG3 PRO 12 15.227 1.351 -1.261 91 HD2 PRO 12 HD2 PRO 12 14.817 3.027 -3.349 92 HD3 PRO 12 HD3 PRO 12 15.626 3.542 -1.855 93 H ILE 13 H ILE 13 18.842 2.545 -5.451 94 HA ILE 13 HA ILE 13 18.846 -0.153 -6.556 95 HB ILE 13 HB ILE 13 17.803 0.606 -8.672 96 HG12 ILE 13 HG12 ILE 13 16.460 2.906 -7.458 97 HG13 ILE 13 HG13 ILE 13 18.193 3.142 -7.654 98 HG21 ILE 13 HG21 ILE 13 16.574 -0.495 -6.710 99 HG22 ILE 13 HG22 ILE 13 15.882 1.102 -6.423 100 HG23 ILE 13 HG23 ILE 13 15.602 0.283 -7.960 101 HD11 ILE 13 HD11 ILE 13 17.863 3.636 -9.778 102 HD12 ILE 13 HD12 ILE 13 17.220 2.017 -10.052 103 HD13 ILE 13 HD13 ILE 13 16.135 3.331 -9.596 Start of MODEL 15 1 H1 SER 1 H SER 1 0.875 -1.337 -0.743 2 HA SER 1 HA SER 1 1.858 -0.681 -2.712 3 HB2 SER 1 HB2 SER 1 0.541 1.784 -1.852 4 HB3 SER 1 HB3 SER 1 2.033 2.081 -2.744 5 HG SER 1 HG SER 1 -0.287 0.708 -3.580 6 H LYS 2 H LYS 2 3.988 -0.651 -3.103 7 HA LYS 2 HA LYS 2 5.783 -0.044 -0.932 8 HB2 LYS 2 HB2 LYS 2 5.873 -1.557 -3.409 9 HB3 LYS 2 HB3 LYS 2 7.319 -0.579 -3.199 10 HG2 LYS 2 HG2 LYS 2 6.232 -2.570 -1.217 11 HG3 LYS 2 HG3 LYS 2 7.618 -2.811 -2.284 12 HD2 LYS 2 HD2 LYS 2 8.663 -0.794 -1.186 13 HD3 LYS 2 HD3 LYS 2 7.358 -0.865 -0.000 14 HE2 LYS 2 HE2 LYS 2 8.545 -3.461 -0.339 15 HE3 LYS 2 HE3 LYS 2 9.787 -2.267 0.034 16 HZ1 LYS 2 HZ1 LYS 2 9.112 -2.881 2.116 17 HZ2 LYS 2 HZ2 LYS 2 8.083 -1.564 1.853 18 HZ3 LYS 2 HZ3 LYS 2 7.504 -3.142 1.658 19 H TRP 3 H TRP 3 7.898 1.131 -1.547 20 HA TRP 3 HA TRP 3 7.268 3.821 -2.092 21 HB2 TRP 3 HB2 TRP 3 9.405 4.264 -1.456 22 HB3 TRP 3 HB3 TRP 3 9.350 2.596 -0.894 23 HD1 TRP 3 HD1 TRP 3 11.605 4.732 -2.651 24 HE1 TRP 3 HE1 TRP 3 13.183 3.428 -4.212 25 HE3 TRP 3 HE3 TRP 3 9.081 0.290 -2.829 26 HZ2 TRP 3 HZ2 TRP 3 13.337 0.857 -5.366 27 HZ3 TRP 3 HZ3 TRP 3 10.011 -1.541 -4.185 28 HH2 TRP 3 HH2 TRP 3 12.094 -1.261 -5.427 29 H ILE 4 H ILE 4 7.979 5.166 -3.833 30 HA ILE 4 HA ILE 4 8.291 3.705 -6.375 31 HB ILE 4 HB ILE 4 7.146 6.465 -6.292 32 HG12 ILE 4 HG12 ILE 4 4.870 5.123 -6.330 33 HG13 ILE 4 HG13 ILE 4 5.803 3.939 -5.421 34 HG21 ILE 4 HG21 ILE 4 6.193 4.296 -8.079 35 HG22 ILE 4 HG22 ILE 4 6.423 6.014 -8.404 36 HG23 ILE 4 HG23 ILE 4 7.815 4.932 -8.349 37 HD11 ILE 4 HD11 ILE 4 5.210 5.090 -3.620 38 HD12 ILE 4 HD12 ILE 4 6.380 6.301 -4.144 39 HD13 ILE 4 HD13 ILE 4 4.679 6.474 -4.577 40 H CYS 5 H CYS 5 10.139 5.176 -4.310 41 HA CYS 5 HA CYS 5 12.120 6.290 -4.394 42 HB2 CYS 5 HB2 CYS 5 12.701 4.728 -6.163 43 HB3 CYS 5 HB3 CYS 5 11.861 5.718 -7.353 44 H ALA 6 H ALA 6 11.868 8.347 -3.797 45 HA ALA 6 HA ALA 6 10.500 10.236 -5.538 46 HB1 ALA 6 HB1 ALA 6 10.616 9.949 -2.802 47 HB2 ALA 6 HB2 ALA 6 11.658 11.338 -3.109 48 HB3 ALA 6 HB3 ALA 6 9.988 11.347 -3.673 49 H ASN 7 H ASN 7 13.721 9.492 -4.401 50 HA ASN 7 HA ASN 7 15.012 10.820 -6.490 51 HB2 ASN 7 HB2 ASN 7 14.145 12.619 -4.521 52 HB3 ASN 7 HB3 ASN 7 15.869 12.410 -4.229 53 HD21 ASN 7 HD21 ASN 7 13.631 14.153 -5.887 54 HD22 ASN 7 HD22 ASN 7 14.628 14.768 -7.157 55 H ARG 8 H ARG 8 17.450 11.403 -5.588 56 HA ARG 8 HA ARG 8 18.671 8.967 -5.144 57 HB2 ARG 8 HB2 ARG 8 19.806 11.602 -4.209 58 HB3 ARG 8 HB3 ARG 8 20.691 10.173 -4.725 59 HG2 ARG 8 HG2 ARG 8 18.998 10.941 -6.857 60 HG3 ARG 8 HG3 ARG 8 19.822 12.388 -6.273 61 HD2 ARG 8 HD2 ARG 8 21.904 10.736 -6.299 62 HD3 ARG 8 HD3 ARG 8 20.929 9.940 -7.535 63 HE ARG 8 HE ARG 8 21.172 12.762 -7.954 64 HH11 ARG 8 HH11 ARG 8 22.727 9.683 -8.423 65 HH12 ARG 8 HH12 ARG 8 23.656 10.213 -9.786 66 HH21 ARG 8 HH21 ARG 8 22.390 13.471 -9.748 67 HH22 ARG 8 HH22 ARG 8 23.464 12.368 -10.538 68 H SER 9 H SER 9 17.345 11.228 -2.837 69 HA SER 9 HA SER 9 18.585 10.265 -0.508 70 HB2 SER 9 HB2 SER 9 17.138 12.389 -0.860 71 HB3 SER 9 HB3 SER 9 15.770 11.327 -0.524 72 HG SER 9 HG SER 9 16.897 12.513 1.296 73 H VAL 10 H VAL 10 15.804 9.149 -2.318 74 HA VAL 10 HA VAL 10 15.711 6.768 -0.602 75 HB VAL 10 HB VAL 10 13.179 6.779 -0.961 76 HG11 VAL 10 HG11 VAL 10 14.691 7.568 1.108 77 HG12 VAL 10 HG12 VAL 10 13.823 9.070 0.788 78 HG13 VAL 10 HG13 VAL 10 12.927 7.591 1.136 79 HG21 VAL 10 HG21 VAL 10 13.717 8.962 -2.525 80 HG22 VAL 10 HG22 VAL 10 12.133 8.536 -1.876 81 HG23 VAL 10 HG23 VAL 10 13.150 9.700 -1.027 82 H CYS 11 H CYS 11 16.908 5.779 -2.320 83 HA CYS 11 HA CYS 11 15.202 4.569 -4.288 84 HB2 CYS 11 HB2 CYS 11 16.289 6.915 -5.116 85 HB3 CYS 11 HB3 CYS 11 17.555 5.789 -5.594 86 HA PRO 12 HA PRO 12 18.721 1.997 -2.702 87 HB2 PRO 12 HB2 PRO 12 17.176 -0.152 -2.094 88 HB3 PRO 12 HB3 PRO 12 17.437 1.191 -0.975 89 HG2 PRO 12 HG2 PRO 12 15.111 0.655 -2.780 90 HG3 PRO 12 HG3 PRO 12 15.115 1.210 -1.096 91 HD2 PRO 12 HD2 PRO 12 14.751 2.895 -3.184 92 HD3 PRO 12 HD3 PRO 12 15.561 3.393 -1.684 93 H ILE 13 H ILE 13 18.779 2.339 -5.262 94 HA ILE 13 HA ILE 13 18.557 -0.358 -6.398 95 HB ILE 13 HB ILE 13 16.647 0.984 -7.221 96 HG12 ILE 13 HG12 ILE 13 18.491 0.655 -9.555 97 HG13 ILE 13 HG13 ILE 13 18.069 -0.758 -8.594 98 HG21 ILE 13 HG21 ILE 13 16.856 3.092 -7.892 99 HG22 ILE 13 HG22 ILE 13 18.538 3.029 -7.366 100 HG23 ILE 13 HG23 ILE 13 18.123 2.661 -9.040 101 HD11 ILE 13 HD11 ILE 13 15.637 0.436 -9.056 102 HD12 ILE 13 HD12 ILE 13 16.514 0.687 -10.566 103 HD13 ILE 13 HD13 ILE 13 16.306 -0.944 -9.927 Start of MODEL 16 1 H1 SER 1 H SER 1 0.819 0.171 -0.240 2 HA SER 1 HA SER 1 2.290 -0.801 -1.695 3 HB2 SER 1 HB2 SER 1 2.217 0.146 -3.791 4 HB3 SER 1 HB3 SER 1 0.929 1.066 -3.013 5 HG SER 1 HG SER 1 2.098 2.809 -3.163 6 H LYS 2 H LYS 2 4.475 -0.936 -2.429 7 HA LYS 2 HA LYS 2 6.372 -0.001 -0.600 8 HB2 LYS 2 HB2 LYS 2 6.376 -1.543 -3.081 9 HB3 LYS 2 HB3 LYS 2 7.832 -0.578 -2.877 10 HG2 LYS 2 HG2 LYS 2 8.451 -2.521 -1.847 11 HG3 LYS 2 HG3 LYS 2 7.820 -1.609 -0.474 12 HD2 LYS 2 HD2 LYS 2 5.744 -2.791 -0.552 13 HD3 LYS 2 HD3 LYS 2 6.176 -3.558 -2.083 14 HE2 LYS 2 HE2 LYS 2 7.518 -5.091 -1.089 15 HE3 LYS 2 HE3 LYS 2 8.038 -3.976 0.174 16 HZ1 LYS 2 HZ1 LYS 2 5.514 -5.522 0.048 17 HZ2 LYS 2 HZ2 LYS 2 6.733 -5.617 1.217 18 HZ3 LYS 2 HZ3 LYS 2 5.749 -4.244 1.131 19 H TRP 3 H TRP 3 8.406 1.220 -1.329 20 HA TRP 3 HA TRP 3 7.674 3.868 -1.952 21 HB2 TRP 3 HB2 TRP 3 9.815 4.398 -1.404 22 HB3 TRP 3 HB3 TRP 3 9.831 2.751 -0.779 23 HD1 TRP 3 HD1 TRP 3 11.959 4.888 -2.690 24 HE1 TRP 3 HE1 TRP 3 13.525 3.575 -4.254 25 HE3 TRP 3 HE3 TRP 3 9.575 0.366 -2.616 26 HZ2 TRP 3 HZ2 TRP 3 13.724 0.967 -5.316 27 HZ3 TRP 3 HZ3 TRP 3 10.518 -1.486 -3.934 28 HH2 TRP 3 HH2 TRP 3 12.549 -1.189 -5.255 29 H ILE 4 H ILE 4 8.286 5.164 -3.765 30 HA ILE 4 HA ILE 4 8.562 3.616 -6.259 31 HB ILE 4 HB ILE 4 7.332 6.340 -6.243 32 HG12 ILE 4 HG12 ILE 4 5.100 4.928 -6.154 33 HG13 ILE 4 HG13 ILE 4 6.100 3.809 -5.232 34 HG21 ILE 4 HG21 ILE 4 7.535 4.026 -8.045 35 HG22 ILE 4 HG22 ILE 4 5.968 4.836 -8.028 36 HG23 ILE 4 HG23 ILE 4 7.429 5.748 -8.412 37 HD11 ILE 4 HD11 ILE 4 4.921 6.338 -4.447 38 HD12 ILE 4 HD12 ILE 4 5.531 5.012 -3.457 39 HD13 ILE 4 HD13 ILE 4 6.640 6.239 -4.068 40 H CYS 5 H CYS 5 10.427 5.223 -4.314 41 HA CYS 5 HA CYS 5 12.367 6.394 -4.506 42 HB2 CYS 5 HB2 CYS 5 12.941 4.783 -6.233 43 HB3 CYS 5 HB3 CYS 5 12.032 5.699 -7.431 44 H ALA 6 H ALA 6 12.068 8.464 -3.980 45 HA ALA 6 HA ALA 6 10.585 10.240 -5.745 46 HB1 ALA 6 HB1 ALA 6 10.100 11.411 -3.909 47 HB2 ALA 6 HB2 ALA 6 10.793 10.064 -3.006 48 HB3 ALA 6 HB3 ALA 6 11.787 11.467 -3.397 49 H ASN 7 H ASN 7 13.863 9.640 -4.690 50 HA ASN 7 HA ASN 7 15.042 10.926 -6.870 51 HB2 ASN 7 HB2 ASN 7 14.183 12.772 -4.941 52 HB3 ASN 7 HB3 ASN 7 15.921 12.627 -4.700 53 HD21 ASN 7 HD21 ASN 7 13.575 14.235 -6.345 54 HD22 ASN 7 HD22 ASN 7 14.510 14.831 -7.670 55 H ARG 8 H ARG 8 17.488 11.617 -6.073 56 HA ARG 8 HA ARG 8 18.801 9.238 -5.580 57 HB2 ARG 8 HB2 ARG 8 19.880 11.941 -4.783 58 HB3 ARG 8 HB3 ARG 8 20.794 10.521 -5.275 59 HG2 ARG 8 HG2 ARG 8 19.008 11.155 -7.376 60 HG3 ARG 8 HG3 ARG 8 19.806 12.647 -6.875 61 HD2 ARG 8 HD2 ARG 8 21.189 10.067 -7.602 62 HD3 ARG 8 HD3 ARG 8 21.053 11.486 -8.640 63 HE ARG 8 HE ARG 8 22.868 11.111 -6.444 64 HH11 ARG 8 HH11 ARG 8 21.197 13.450 -8.409 65 HH12 ARG 8 HH12 ARG 8 22.342 14.715 -8.107 66 HH21 ARG 8 HH21 ARG 8 24.382 12.768 -6.040 67 HH22 ARG 8 HH22 ARG 8 24.154 14.326 -6.760 68 H SER 9 H SER 9 17.481 11.546 -3.316 69 HA SER 9 HA SER 9 18.826 10.711 -0.996 70 HB2 SER 9 HB2 SER 9 17.295 12.773 -1.381 71 HB3 SER 9 HB3 SER 9 15.979 11.681 -0.950 72 HG SER 9 HG SER 9 17.741 12.926 0.655 73 H VAL 10 H VAL 10 16.024 9.441 -2.666 74 HA VAL 10 HA VAL 10 16.064 7.126 -0.861 75 HB VAL 10 HB VAL 10 13.522 7.044 -1.136 76 HG11 VAL 10 HG11 VAL 10 15.079 7.968 0.849 77 HG12 VAL 10 HG12 VAL 10 14.138 9.419 0.506 78 HG13 VAL 10 HG13 VAL 10 13.318 7.919 0.939 79 HG21 VAL 10 HG21 VAL 10 12.390 8.733 -2.077 80 HG22 VAL 10 HG22 VAL 10 13.400 9.959 -1.311 81 HG23 VAL 10 HG23 VAL 10 13.937 9.179 -2.798 82 H CYS 11 H CYS 11 17.237 6.110 -2.581 83 HA CYS 11 HA CYS 11 15.509 4.771 -4.443 84 HB2 CYS 11 HB2 CYS 11 16.492 7.118 -5.393 85 HB3 CYS 11 HB3 CYS 11 17.776 6.012 -5.874 86 HA PRO 12 HA PRO 12 19.157 2.372 -2.881 87 HB2 PRO 12 HB2 PRO 12 17.703 0.199 -2.151 88 HB3 PRO 12 HB3 PRO 12 17.953 1.588 -1.088 89 HG2 PRO 12 HG2 PRO 12 15.592 0.914 -2.800 90 HG3 PRO 12 HG3 PRO 12 15.629 1.528 -1.137 91 HD2 PRO 12 HD2 PRO 12 15.147 3.125 -3.271 92 HD3 PRO 12 HD3 PRO 12 15.984 3.703 -1.815 93 H ILE 13 H ILE 13 16.497 1.667 -5.041 94 HA ILE 13 HA ILE 13 17.752 -0.646 -6.212 95 HB ILE 13 HB ILE 13 15.277 -0.360 -6.121 96 HG12 ILE 13 HG12 ILE 13 16.242 -0.559 -8.973 97 HG13 ILE 13 HG13 ILE 13 16.534 -1.827 -7.787 98 HG21 ILE 13 HG21 ILE 13 14.165 1.124 -7.658 99 HG22 ILE 13 HG22 ILE 13 15.269 2.058 -6.649 100 HG23 ILE 13 HG23 ILE 13 15.711 1.665 -8.311 101 HD11 ILE 13 HD11 ILE 13 13.945 -0.916 -8.968 102 HD12 ILE 13 HD12 ILE 13 14.637 -2.537 -8.908 103 HD13 ILE 13 HD13 ILE 13 13.993 -1.799 -7.442 Start of MODEL 17 1 H1 SER 1 H SER 1 2.994 0.396 -4.179 2 HA SER 1 HA SER 1 1.736 0.997 -1.808 3 HB2 SER 1 HB2 SER 1 1.051 -1.450 -1.938 4 HB3 SER 1 HB3 SER 1 2.749 -1.846 -1.671 5 HG SER 1 HG SER 1 1.885 -1.800 0.328 6 H LYS 2 H LYS 2 4.519 -0.916 -2.934 7 HA LYS 2 HA LYS 2 6.329 -0.046 -0.973 8 HB2 LYS 2 HB2 LYS 2 6.449 -1.507 -3.500 9 HB3 LYS 2 HB3 LYS 2 7.887 -0.538 -3.206 10 HG2 LYS 2 HG2 LYS 2 8.551 -2.406 -2.136 11 HG3 LYS 2 HG3 LYS 2 7.649 -1.681 -0.803 12 HD2 LYS 2 HD2 LYS 2 5.722 -3.056 -2.237 13 HD3 LYS 2 HD3 LYS 2 7.129 -4.120 -2.295 14 HE2 LYS 2 HE2 LYS 2 6.476 -4.823 -0.277 15 HE3 LYS 2 HE3 LYS 2 7.103 -3.288 0.322 16 HZ1 LYS 2 HZ1 LYS 2 5.058 -2.537 0.740 17 HZ2 LYS 2 HZ2 LYS 2 4.422 -3.125 -0.714 18 HZ3 LYS 2 HZ3 LYS 2 4.565 -4.152 0.623 19 H TRP 3 H TRP 3 8.382 1.211 -1.578 20 HA TRP 3 HA TRP 3 7.654 3.873 -2.145 21 HB2 TRP 3 HB2 TRP 3 9.767 4.400 -1.493 22 HB3 TRP 3 HB3 TRP 3 9.770 2.734 -0.922 23 HD1 TRP 3 HD1 TRP 3 11.956 4.947 -2.673 24 HE1 TRP 3 HE1 TRP 3 13.597 3.696 -4.213 25 HE3 TRP 3 HE3 TRP 3 9.609 0.409 -2.844 26 HZ2 TRP 3 HZ2 TRP 3 13.860 1.126 -5.350 27 HZ3 TRP 3 HZ3 TRP 3 10.620 -1.393 -4.181 28 HH2 TRP 3 HH2 TRP 3 12.701 -1.039 -5.408 29 H ILE 4 H ILE 4 8.329 5.232 -3.889 30 HA ILE 4 HA ILE 4 8.718 3.769 -6.418 31 HB ILE 4 HB ILE 4 7.467 6.482 -6.364 32 HG12 ILE 4 HG12 ILE 4 5.245 5.053 -6.412 33 HG13 ILE 4 HG13 ILE 4 6.215 3.912 -5.488 34 HG21 ILE 4 HG21 ILE 4 7.902 5.789 -8.533 35 HG22 ILE 4 HG22 ILE 4 7.491 4.110 -8.186 36 HG23 ILE 4 HG23 ILE 4 6.216 5.322 -8.308 37 HD11 ILE 4 HD11 ILE 4 4.983 6.403 -4.668 38 HD12 ILE 4 HD12 ILE 4 5.567 5.051 -3.698 39 HD13 ILE 4 HD13 ILE 4 6.687 6.307 -4.225 40 H CYS 5 H CYS 5 10.490 5.324 -4.347 41 HA CYS 5 HA CYS 5 12.426 6.514 -4.421 42 HB2 CYS 5 HB2 CYS 5 13.084 4.963 -6.174 43 HB3 CYS 5 HB3 CYS 5 12.217 5.911 -7.378 44 H ALA 6 H ALA 6 12.089 8.564 -3.842 45 HA ALA 6 HA ALA 6 10.665 10.386 -5.609 46 HB1 ALA 6 HB1 ALA 6 10.097 11.495 -3.758 47 HB2 ALA 6 HB2 ALA 6 10.760 10.122 -2.872 48 HB3 ALA 6 HB3 ALA 6 11.761 11.543 -3.174 49 H ASN 7 H ASN 7 13.902 9.774 -4.440 50 HA ASN 7 HA ASN 7 15.159 11.138 -6.527 51 HB2 ASN 7 HB2 ASN 7 14.207 12.914 -4.576 52 HB3 ASN 7 HB3 ASN 7 15.935 12.773 -4.269 53 HD21 ASN 7 HD21 ASN 7 13.645 14.420 -5.955 54 HD22 ASN 7 HD22 ASN 7 14.629 15.065 -7.221 55 H ARG 8 H ARG 8 17.565 11.819 -5.609 56 HA ARG 8 HA ARG 8 18.875 9.434 -5.139 57 HB2 ARG 8 HB2 ARG 8 19.899 12.117 -4.211 58 HB3 ARG 8 HB3 ARG 8 20.843 10.720 -4.711 59 HG2 ARG 8 HG2 ARG 8 19.139 11.411 -6.861 60 HG3 ARG 8 HG3 ARG 8 19.907 12.890 -6.281 61 HD2 ARG 8 HD2 ARG 8 22.091 11.919 -6.535 62 HD3 ARG 8 HD3 ARG 8 21.392 10.350 -6.934 63 HE ARG 8 HE ARG 8 20.443 12.227 -8.775 64 HH11 ARG 8 HH11 ARG 8 23.430 10.686 -7.865 65 HH12 ARG 8 HH12 ARG 8 24.118 10.790 -9.452 66 HH21 ARG 8 HH21 ARG 8 21.338 12.369 -10.868 67 HH22 ARG 8 HH22 ARG 8 22.928 11.748 -11.159 68 H SER 9 H SER 9 17.446 11.659 -2.857 69 HA SER 9 HA SER 9 18.702 10.757 -0.512 70 HB2 SER 9 HB2 SER 9 17.173 12.820 -0.892 71 HB3 SER 9 HB3 SER 9 15.847 11.707 -0.554 72 HG SER 9 HG SER 9 16.534 11.477 1.484 73 H VAL 10 H VAL 10 15.980 9.524 -2.336 74 HA VAL 10 HA VAL 10 15.965 7.151 -0.606 75 HB VAL 10 HB VAL 10 13.437 7.062 -0.989 76 HG11 VAL 10 HG11 VAL 10 13.140 7.868 1.103 77 HG12 VAL 10 HG12 VAL 10 14.903 7.927 1.088 78 HG13 VAL 10 HG13 VAL 10 13.968 9.385 0.753 79 HG21 VAL 10 HG21 VAL 10 12.332 8.773 -1.920 80 HG22 VAL 10 HG22 VAL 10 13.300 9.980 -1.074 81 HG23 VAL 10 HG23 VAL 10 13.903 9.252 -2.563 82 H CYS 11 H CYS 11 17.216 6.200 -2.308 83 HA CYS 11 HA CYS 11 15.576 4.911 -4.282 84 HB2 CYS 11 HB2 CYS 11 16.579 7.294 -5.115 85 HB3 CYS 11 HB3 CYS 11 17.890 6.213 -5.578 86 HA PRO 12 HA PRO 12 19.177 2.487 -2.650 87 HB2 PRO 12 HB2 PRO 12 17.713 0.281 -2.051 88 HB3 PRO 12 HB3 PRO 12 17.908 1.637 -0.934 89 HG2 PRO 12 HG2 PRO 12 15.625 1.002 -2.763 90 HG3 PRO 12 HG3 PRO 12 15.588 1.563 -1.081 91 HD2 PRO 12 HD2 PRO 12 15.181 3.225 -3.180 92 HD3 PRO 12 HD3 PRO 12 15.953 3.760 -1.674 93 H ILE 13 H ILE 13 16.615 1.836 -4.940 94 HA ILE 13 HA ILE 13 17.935 -0.430 -6.132 95 HB ILE 13 HB ILE 13 15.457 -0.164 -6.136 96 HG12 ILE 13 HG12 ILE 13 16.176 -0.212 -9.013 97 HG13 ILE 13 HG13 ILE 13 17.037 -1.343 -7.975 98 HG21 ILE 13 HG21 ILE 13 15.889 1.879 -8.301 99 HG22 ILE 13 HG22 ILE 13 14.367 1.390 -7.555 100 HG23 ILE 13 HG23 ILE 13 15.553 2.306 -6.623 101 HD11 ILE 13 HD11 ILE 13 15.258 -2.613 -8.623 102 HD12 ILE 13 HD12 ILE 13 14.626 -1.914 -7.132 103 HD13 ILE 13 HD13 ILE 13 14.156 -1.238 -8.691 Start of MODEL 18 1 H1 SER 1 H SER 1 1.422 -1.229 -0.244 2 HA SER 1 HA SER 1 2.653 -1.209 -2.157 3 HB2 SER 1 HB2 SER 1 1.425 0.309 -3.333 4 HB3 SER 1 HB3 SER 1 1.488 1.513 -2.047 5 HG SER 1 HG SER 1 3.016 2.427 -3.140 6 H LYS 2 H LYS 2 4.783 -0.998 -2.801 7 HA LYS 2 HA LYS 2 6.625 -0.202 -0.759 8 HB2 LYS 2 HB2 LYS 2 6.721 -1.664 -3.288 9 HB3 LYS 2 HB3 LYS 2 8.135 -0.651 -3.030 10 HG2 LYS 2 HG2 LYS 2 8.925 -2.414 -1.910 11 HG3 LYS 2 HG3 LYS 2 7.886 -1.842 -0.602 12 HD2 LYS 2 HD2 LYS 2 6.651 -3.598 -2.648 13 HD3 LYS 2 HD3 LYS 2 7.791 -4.344 -1.526 14 HE2 LYS 2 HE2 LYS 2 6.497 -3.718 0.351 15 HE3 LYS 2 HE3 LYS 2 5.512 -2.611 -0.605 16 HZ1 LYS 2 HZ1 LYS 2 5.544 -5.508 -1.178 17 HZ2 LYS 2 HZ2 LYS 2 4.526 -4.865 0.011 18 HZ3 LYS 2 HZ3 LYS 2 4.374 -4.359 -1.596 19 H TRP 3 H TRP 3 8.612 1.125 -1.426 20 HA TRP 3 HA TRP 3 7.775 3.756 -1.985 21 HB2 TRP 3 HB2 TRP 3 9.885 4.361 -1.393 22 HB3 TRP 3 HB3 TRP 3 9.963 2.699 -0.814 23 HD1 TRP 3 HD1 TRP 3 12.021 4.978 -2.636 24 HE1 TRP 3 HE1 TRP 3 13.662 3.777 -4.214 25 HE3 TRP 3 HE3 TRP 3 9.832 0.359 -2.721 26 HZ2 TRP 3 HZ2 TRP 3 13.985 1.211 -5.346 27 HZ3 TRP 3 HZ3 TRP 3 10.869 -1.413 -4.077 28 HH2 TRP 3 HH2 TRP 3 12.902 -0.993 -5.362 29 H ILE 4 H ILE 4 8.355 5.129 -3.752 30 HA ILE 4 HA ILE 4 8.727 3.666 -6.285 31 HB ILE 4 HB ILE 4 7.383 6.334 -6.209 32 HG12 ILE 4 HG12 ILE 4 5.212 4.827 -6.190 33 HG13 ILE 4 HG13 ILE 4 6.246 3.726 -5.287 34 HG21 ILE 4 HG21 ILE 4 7.444 3.954 -8.021 35 HG22 ILE 4 HG22 ILE 4 6.120 5.115 -8.112 36 HG23 ILE 4 HG23 ILE 4 7.779 5.647 -8.386 37 HD11 ILE 4 HD11 ILE 4 6.669 6.141 -4.047 38 HD12 ILE 4 HD12 ILE 4 4.951 6.178 -4.446 39 HD13 ILE 4 HD13 ILE 4 5.605 4.851 -3.486 40 H CYS 5 H CYS 5 10.498 5.294 -4.270 41 HA CYS 5 HA CYS 5 12.388 6.550 -4.403 42 HB2 CYS 5 HB2 CYS 5 13.051 5.015 -6.166 43 HB3 CYS 5 HB3 CYS 5 12.120 5.926 -7.350 44 H ALA 6 H ALA 6 11.996 8.590 -3.823 45 HA ALA 6 HA ALA 6 10.460 10.352 -5.558 46 HB1 ALA 6 HB1 ALA 6 9.903 11.449 -3.696 47 HB2 ALA 6 HB2 ALA 6 10.641 10.106 -2.823 48 HB3 ALA 6 HB3 ALA 6 11.579 11.561 -3.160 49 H ASN 7 H ASN 7 13.747 9.862 -4.475 50 HA ASN 7 HA ASN 7 14.898 11.257 -6.602 51 HB2 ASN 7 HB2 ASN 7 13.936 13.009 -4.635 52 HB3 ASN 7 HB3 ASN 7 15.676 12.932 -4.374 53 HD21 ASN 7 HD21 ASN 7 13.284 14.486 -6.005 54 HD22 ASN 7 HD22 ASN 7 14.209 15.158 -7.300 55 H ARG 8 H ARG 8 17.302 12.028 -5.753 56 HA ARG 8 HA ARG 8 18.709 9.694 -5.307 57 HB2 ARG 8 HB2 ARG 8 19.661 12.417 -4.421 58 HB3 ARG 8 HB3 ARG 8 20.640 11.052 -4.940 59 HG2 ARG 8 HG2 ARG 8 18.856 11.668 -7.046 60 HG3 ARG 8 HG3 ARG 8 19.582 13.178 -6.492 61 HD2 ARG 8 HD2 ARG 8 21.217 12.565 -7.932 62 HD3 ARG 8 HD3 ARG 8 21.769 11.639 -6.537 63 HE ARG 8 HE ARG 8 19.941 10.180 -8.188 64 HH11 ARG 8 HH11 ARG 8 23.268 11.128 -7.796 65 HH12 ARG 8 HH12 ARG 8 23.894 9.779 -8.685 66 HH21 ARG 8 HH21 ARG 8 20.753 8.399 -9.360 67 HH22 ARG 8 HH22 ARG 8 22.462 8.228 -9.575 68 H SER 9 H SER 9 17.262 11.879 -2.998 69 HA SER 9 HA SER 9 18.612 11.036 -0.684 70 HB2 SER 9 HB2 SER 9 17.001 13.041 -1.033 71 HB3 SER 9 HB3 SER 9 15.726 11.884 -0.651 72 HG SER 9 HG SER 9 17.954 12.073 1.041 73 H VAL 10 H VAL 10 15.889 9.697 -2.428 74 HA VAL 10 HA VAL 10 16.004 7.335 -0.687 75 HB VAL 10 HB VAL 10 13.472 7.155 -1.000 76 HG11 VAL 10 HG11 VAL 10 14.962 8.084 1.032 77 HG12 VAL 10 HG12 VAL 10 13.968 9.505 0.716 78 HG13 VAL 10 HG13 VAL 10 13.204 7.961 1.096 79 HG21 VAL 10 HG21 VAL 10 13.817 9.352 -2.595 80 HG22 VAL 10 HG22 VAL 10 12.282 8.820 -1.910 81 HG23 VAL 10 HG23 VAL 10 13.227 10.065 -1.093 82 H CYS 11 H CYS 11 17.240 6.418 -2.419 83 HA CYS 11 HA CYS 11 15.594 5.062 -4.341 84 HB2 CYS 11 HB2 CYS 11 16.488 7.474 -5.212 85 HB3 CYS 11 HB3 CYS 11 17.824 6.438 -5.705 86 HA PRO 12 HA PRO 12 19.321 2.776 -2.797 87 HB2 PRO 12 HB2 PRO 12 17.952 0.523 -2.146 88 HB3 PRO 12 HB3 PRO 12 18.130 1.892 -1.042 89 HG2 PRO 12 HG2 PRO 12 15.821 1.167 -2.804 90 HG3 PRO 12 HG3 PRO 12 15.811 1.736 -1.124 91 HD2 PRO 12 HD2 PRO 12 15.288 3.370 -3.219 92 HD3 PRO 12 HD3 PRO 12 16.082 3.941 -1.737 93 H ILE 13 H ILE 13 16.721 2.022 -5.012 94 HA ILE 13 HA ILE 13 18.086 -0.204 -6.228 95 HB ILE 13 HB ILE 13 15.600 -0.021 -6.164 96 HG12 ILE 13 HG12 ILE 13 16.146 -0.078 -9.059 97 HG13 ILE 13 HG13 ILE 13 17.211 -1.094 -8.093 98 HG21 ILE 13 HG21 ILE 13 15.994 2.094 -8.276 99 HG22 ILE 13 HG22 ILE 13 14.455 1.454 -7.701 100 HG23 ILE 13 HG23 ILE 13 15.476 2.399 -6.618 101 HD11 ILE 13 HD11 ILE 13 14.796 -1.738 -7.054 102 HD12 ILE 13 HD12 ILE 13 14.373 -1.406 -8.734 103 HD13 ILE 13 HD13 ILE 13 15.598 -2.617 -8.356 Start of MODEL 19 1 H1 SER 1 H SER 1 1.406 0.828 -3.705 2 HA SER 1 HA SER 1 1.594 1.126 -1.457 3 HB2 SER 1 HB2 SER 1 0.780 -1.210 -1.436 4 HB3 SER 1 HB3 SER 1 2.448 -1.780 -1.488 5 HG SER 1 HG SER 1 1.272 -1.525 0.652 6 H LYS 2 H LYS 2 4.327 -0.679 -2.805 7 HA LYS 2 HA LYS 2 6.190 0.119 -0.814 8 HB2 LYS 2 HB2 LYS 2 6.232 -1.390 -3.315 9 HB3 LYS 2 HB3 LYS 2 7.691 -0.440 -3.068 10 HG2 LYS 2 HG2 LYS 2 8.285 -2.387 -2.041 11 HG3 LYS 2 HG3 LYS 2 7.600 -1.507 -0.673 12 HD2 LYS 2 HD2 LYS 2 5.385 -2.650 -1.325 13 HD3 LYS 2 HD3 LYS 2 6.398 -3.745 -2.269 14 HE2 LYS 2 HE2 LYS 2 6.903 -3.193 0.642 15 HE3 LYS 2 HE3 LYS 2 5.804 -4.462 0.103 16 HZ1 LYS 2 HZ1 LYS 2 8.498 -4.706 0.442 17 HZ2 LYS 2 HZ2 LYS 2 7.501 -5.784 -0.399 18 HZ3 LYS 2 HZ3 LYS 2 8.328 -4.568 -1.236 19 H TRP 3 H TRP 3 8.248 1.332 -1.488 20 HA TRP 3 HA TRP 3 7.549 3.994 -2.090 21 HB2 TRP 3 HB2 TRP 3 9.683 4.500 -1.492 22 HB3 TRP 3 HB3 TRP 3 9.674 2.845 -0.889 23 HD1 TRP 3 HD1 TRP 3 11.856 4.989 -2.729 24 HE1 TRP 3 HE1 TRP 3 13.443 3.684 -4.278 25 HE3 TRP 3 HE3 TRP 3 9.435 0.486 -2.763 26 HZ2 TRP 3 HZ2 TRP 3 13.642 1.089 -5.371 27 HZ3 TRP 3 HZ3 TRP 3 10.390 -1.356 -4.086 28 HH2 TRP 3 HH2 TRP 3 12.450 -1.058 -5.363 29 H ILE 4 H ILE 4 8.209 5.309 -3.873 30 HA ILE 4 HA ILE 4 8.521 3.791 -6.381 31 HB ILE 4 HB ILE 4 7.315 6.525 -6.354 32 HG12 ILE 4 HG12 ILE 4 5.069 5.131 -6.327 33 HG13 ILE 4 HG13 ILE 4 6.041 3.993 -5.401 34 HG21 ILE 4 HG21 ILE 4 7.797 5.662 -8.504 35 HG22 ILE 4 HG22 ILE 4 7.104 4.090 -8.106 36 HG23 ILE 4 HG23 ILE 4 6.055 5.496 -8.284 37 HD11 ILE 4 HD11 ILE 4 5.448 5.177 -3.621 38 HD12 ILE 4 HD12 ILE 4 6.579 6.403 -4.195 39 HD13 ILE 4 HD13 ILE 4 4.867 6.520 -4.605 40 H CYS 5 H CYS 5 10.360 5.359 -4.378 41 HA CYS 5 HA CYS 5 12.313 6.515 -4.516 42 HB2 CYS 5 HB2 CYS 5 12.909 4.921 -6.251 43 HB3 CYS 5 HB3 CYS 5 12.032 5.860 -7.455 44 H ALA 6 H ALA 6 12.022 8.581 -3.970 45 HA ALA 6 HA ALA 6 10.588 10.392 -5.742 46 HB1 ALA 6 HB1 ALA 6 10.078 11.546 -3.901 47 HB2 ALA 6 HB2 ALA 6 10.738 10.179 -3.003 48 HB3 ALA 6 HB3 ALA 6 11.754 11.578 -3.354 49 H ASN 7 H ASN 7 13.839 9.751 -4.630 50 HA ASN 7 HA ASN 7 15.072 11.054 -6.771 51 HB2 ASN 7 HB2 ASN 7 14.190 12.882 -4.835 52 HB3 ASN 7 HB3 ASN 7 15.922 12.719 -4.562 53 HD21 ASN 7 HD21 ASN 7 13.624 14.371 -6.230 54 HD22 ASN 7 HD22 ASN 7 14.589 14.975 -7.530 55 H ARG 8 H ARG 8 17.507 11.714 -5.917 56 HA ARG 8 HA ARG 8 18.790 9.318 -5.429 57 HB2 ARG 8 HB2 ARG 8 19.876 12.001 -4.576 58 HB3 ARG 8 HB3 ARG 8 20.787 10.580 -5.069 59 HG2 ARG 8 HG2 ARG 8 19.049 11.255 -7.196 60 HG3 ARG 8 HG3 ARG 8 19.847 12.735 -6.659 61 HD2 ARG 8 HD2 ARG 8 21.403 10.215 -7.122 62 HD3 ARG 8 HD3 ARG 8 20.994 11.288 -8.460 63 HE ARG 8 HE ARG 8 22.238 12.632 -6.246 64 HH11 ARG 8 HH11 ARG 8 22.788 10.831 -9.174 65 HH12 ARG 8 HH12 ARG 8 24.368 11.491 -9.438 66 HH21 ARG 8 HH21 ARG 8 24.316 13.509 -6.583 67 HH22 ARG 8 HH22 ARG 8 25.237 13.014 -7.963 68 H SER 9 H SER 9 17.446 11.609 -3.161 69 HA SER 9 HA SER 9 18.738 10.732 -0.826 70 HB2 SER 9 HB2 SER 9 17.230 12.811 -1.217 71 HB3 SER 9 HB3 SER 9 15.899 11.725 -0.821 72 HG SER 9 HG SER 9 17.547 12.977 0.841 73 H VAL 10 H VAL 10 15.959 9.508 -2.568 74 HA VAL 10 HA VAL 10 15.944 7.170 -0.791 75 HB VAL 10 HB VAL 10 13.407 7.114 -1.119 76 HG11 VAL 10 HG11 VAL 10 14.931 7.996 0.909 77 HG12 VAL 10 HG12 VAL 10 14.010 9.461 0.567 78 HG13 VAL 10 HG13 VAL 10 13.169 7.962 0.963 79 HG21 VAL 10 HG21 VAL 10 13.314 10.032 -1.256 80 HG22 VAL 10 HG22 VAL 10 13.873 9.267 -2.744 81 HG23 VAL 10 HG23 VAL 10 12.309 8.826 -2.059 82 H CYS 11 H CYS 11 17.142 6.165 -2.500 83 HA CYS 11 HA CYS 11 15.440 4.865 -4.414 84 HB2 CYS 11 HB2 CYS 11 16.463 7.215 -5.314 85 HB3 CYS 11 HB3 CYS 11 17.746 6.104 -5.783 86 HA PRO 12 HA PRO 12 19.036 2.415 -2.810 87 HB2 PRO 12 HB2 PRO 12 17.550 0.245 -2.136 88 HB3 PRO 12 HB3 PRO 12 17.790 1.620 -1.051 89 HG2 PRO 12 HG2 PRO 12 15.458 0.987 -2.818 90 HG3 PRO 12 HG3 PRO 12 15.467 1.581 -1.147 91 HD2 PRO 12 HD2 PRO 12 15.041 3.208 -3.269 92 HD3 PRO 12 HD3 PRO 12 15.854 3.760 -1.791 93 H ILE 13 H ILE 13 16.414 1.761 -5.031 94 HA ILE 13 HA ILE 13 17.672 -0.549 -6.206 95 HB ILE 13 HB ILE 13 15.199 -0.240 -6.161 96 HG12 ILE 13 HG12 ILE 13 15.249 -0.511 -8.935 97 HG13 ILE 13 HG13 ILE 13 16.853 -1.024 -8.421 98 HG21 ILE 13 HG21 ILE 13 15.567 1.709 -8.415 99 HG22 ILE 13 HG22 ILE 13 14.096 1.321 -7.523 100 HG23 ILE 13 HG23 ILE 13 15.386 2.233 -6.741 101 HD11 ILE 13 HD11 ILE 13 14.789 -2.155 -6.749 102 HD12 ILE 13 HD12 ILE 13 14.549 -2.550 -8.450 103 HD13 ILE 13 HD13 ILE 13 16.073 -2.951 -7.658 Start of MODEL 20 1 H1 SER 1 H SER 1 1.795 1.652 -3.100 2 HA SER 1 HA SER 1 1.695 0.648 -0.975 3 HB2 SER 1 HB2 SER 1 2.235 -1.733 -2.652 4 HB3 SER 1 HB3 SER 1 2.869 -1.790 -1.007 5 HG SER 1 HG SER 1 0.845 -1.623 -0.206 6 H LYS 2 H LYS 2 4.476 -0.544 -2.868 7 HA LYS 2 HA LYS 2 6.318 0.170 -0.774 8 HB2 LYS 2 HB2 LYS 2 6.399 -1.335 -3.279 9 HB3 LYS 2 HB3 LYS 2 7.844 -0.368 -3.014 10 HG2 LYS 2 HG2 LYS 2 8.494 -2.249 -1.942 11 HG3 LYS 2 HG3 LYS 2 7.659 -1.464 -0.599 12 HD2 LYS 2 HD2 LYS 2 6.327 -3.237 -0.441 13 HD3 LYS 2 HD3 LYS 2 5.701 -2.878 -2.052 14 HE2 LYS 2 HE2 LYS 2 6.458 -5.011 -2.381 15 HE3 LYS 2 HE3 LYS 2 7.904 -4.101 -2.814 16 HZ1 LYS 2 HZ1 LYS 2 8.683 -5.731 -1.386 17 HZ2 LYS 2 HZ2 LYS 2 8.520 -4.395 -0.362 18 HZ3 LYS 2 HZ3 LYS 2 7.353 -5.620 -0.346 19 H TRP 3 H TRP 3 8.356 1.419 -1.432 20 HA TRP 3 HA TRP 3 7.616 4.067 -2.047 21 HB2 TRP 3 HB2 TRP 3 9.736 4.611 -1.434 22 HB3 TRP 3 HB3 TRP 3 9.750 2.958 -0.827 23 HD1 TRP 3 HD1 TRP 3 11.909 5.136 -2.655 24 HE1 TRP 3 HE1 TRP 3 13.532 3.854 -4.188 25 HE3 TRP 3 HE3 TRP 3 9.569 0.591 -2.696 26 HZ2 TRP 3 HZ2 TRP 3 13.786 1.260 -5.271 27 HZ3 TRP 3 HZ3 TRP 3 10.566 -1.237 -4.006 28 HH2 TRP 3 HH2 TRP 3 12.630 -0.908 -5.267 29 H ILE 4 H ILE 4 8.265 5.389 -3.829 30 HA ILE 4 HA ILE 4 8.625 3.871 -6.331 31 HB ILE 4 HB ILE 4 7.369 6.583 -6.319 32 HG12 ILE 4 HG12 ILE 4 5.150 5.148 -6.308 33 HG13 ILE 4 HG13 ILE 4 6.134 4.029 -5.372 34 HG21 ILE 4 HG21 ILE 4 6.489 4.335 -8.041 35 HG22 ILE 4 HG22 ILE 4 6.669 6.049 -8.416 36 HG23 ILE 4 HG23 ILE 4 8.092 5.010 -8.333 37 HD11 ILE 4 HD11 ILE 4 6.617 6.450 -4.165 38 HD12 ILE 4 HD12 ILE 4 4.908 6.537 -4.591 39 HD13 ILE 4 HD13 ILE 4 5.504 5.205 -3.600 40 H CYS 5 H CYS 5 10.421 5.474 -4.317 41 HA CYS 5 HA CYS 5 12.354 6.665 -4.442 42 HB2 CYS 5 HB2 CYS 5 12.990 5.078 -6.170 43 HB3 CYS 5 HB3 CYS 5 12.107 6.000 -7.383 44 H ALA 6 H ALA 6 12.019 8.726 -3.902 45 HA ALA 6 HA ALA 6 10.569 10.508 -5.689 46 HB1 ALA 6 HB1 ALA 6 10.017 11.648 -3.853 47 HB2 ALA 6 HB2 ALA 6 10.708 10.302 -2.945 48 HB3 ALA 6 HB3 ALA 6 11.689 11.725 -3.297 49 H ASN 7 H ASN 7 13.821 9.928 -4.547 50 HA ASN 7 HA ASN 7 15.050 11.249 -6.678 51 HB2 ASN 7 HB2 ASN 7 14.117 13.064 -4.755 52 HB3 ASN 7 HB3 ASN 7 15.849 12.933 -4.465 53 HD21 ASN 7 HD21 ASN 7 13.537 14.539 -6.159 54 HD22 ASN 7 HD22 ASN 7 14.504 15.158 -7.450 55 H ARG 8 H ARG 8 17.465 11.953 -5.805 56 HA ARG 8 HA ARG 8 18.786 9.582 -5.300 57 HB2 ARG 8 HB2 ARG 8 19.816 12.286 -4.443 58 HB3 ARG 8 HB3 ARG 8 20.757 10.880 -4.925 59 HG2 ARG 8 HG2 ARG 8 19.026 11.520 -7.069 60 HG3 ARG 8 HG3 ARG 8 19.794 13.015 -6.529 61 HD2 ARG 8 HD2 ARG 8 21.225 12.096 -8.169 62 HD3 ARG 8 HD3 ARG 8 21.988 11.769 -6.613 63 HE ARG 8 HE ARG 8 20.424 9.561 -7.252 64 HH11 ARG 8 HH11 ARG 8 23.221 11.220 -8.495 65 HH12 ARG 8 HH12 ARG 8 23.919 9.794 -9.190 66 HH21 ARG 8 HH21 ARG 8 21.333 7.678 -8.163 67 HH22 ARG 8 HH22 ARG 8 22.843 7.781 -9.002 68 H SER 9 H SER 9 17.380 11.852 -3.049 69 HA SER 9 HA SER 9 18.667 11.004 -0.701 70 HB2 SER 9 HB2 SER 9 17.130 13.056 -1.106 71 HB3 SER 9 HB3 SER 9 15.810 11.948 -0.729 72 HG SER 9 HG SER 9 16.277 12.288 1.280 73 H VAL 10 H VAL 10 15.926 9.726 -2.465 74 HA VAL 10 HA VAL 10 15.937 7.392 -0.684 75 HB VAL 10 HB VAL 10 13.405 7.289 -1.032 76 HG11 VAL 10 HG11 VAL 10 13.959 9.652 0.652 77 HG12 VAL 10 HG12 VAL 10 13.129 8.145 1.044 78 HG13 VAL 10 HG13 VAL 10 14.892 8.198 1.008 79 HG21 VAL 10 HG21 VAL 10 13.259 10.204 -1.178 80 HG22 VAL 10 HG22 VAL 10 13.847 9.447 -2.658 81 HG23 VAL 10 HG23 VAL 10 12.285 8.977 -1.988 82 H CYS 11 H CYS 11 17.169 6.407 -2.381 83 HA CYS 11 HA CYS 11 15.508 5.072 -4.306 84 HB2 CYS 11 HB2 CYS 11 16.492 7.438 -5.203 85 HB3 CYS 11 HB3 CYS 11 17.801 6.352 -5.658 86 HA PRO 12 HA PRO 12 19.134 2.692 -2.668 87 HB2 PRO 12 HB2 PRO 12 17.683 0.495 -2.005 88 HB3 PRO 12 HB3 PRO 12 17.888 1.875 -0.919 89 HG2 PRO 12 HG2 PRO 12 15.584 1.196 -2.706 90 HG3 PRO 12 HG3 PRO 12 15.567 1.792 -1.036 91 HD2 PRO 12 HD2 PRO 12 15.130 3.409 -3.164 92 HD3 PRO 12 HD3 PRO 12 15.919 3.977 -1.679 93 H ILE 13 H ILE 13 16.547 1.989 -4.914 94 HA ILE 13 HA ILE 13 17.856 -0.300 -6.073 95 HB ILE 13 HB ILE 13 15.380 -0.043 -6.057 96 HG12 ILE 13 HG12 ILE 13 15.882 -0.145 -8.938 97 HG13 ILE 13 HG13 ILE 13 17.017 -1.116 -8.006 98 HG21 ILE 13 HG21 ILE 13 15.827 2.010 -8.216 99 HG22 ILE 13 HG22 ILE 13 14.284 1.470 -7.555 100 HG23 ILE 13 HG23 ILE 13 15.397 2.399 -6.551 101 HD11 ILE 13 HD11 ILE 13 14.018 -1.326 -7.971 102 HD12 ILE 13 HD12 ILE 13 15.157 -2.470 -8.681 103 HD13 ILE 13 HD13 ILE 13 15.108 -2.246 -6.933
Contact the webmaster for help, if required. Monday, May 20, 2024 12:41:23 AM GMT (wattos1)