NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649683 | 6vlj | 30718 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 20.857 -2.890 1.817 2 H2 ALA 1 HT2 ALA 1 21.748 -1.452 1.970 3 H3 ALA 1 HT3 ALA 1 21.509 -2.149 0.438 4 HA ALA 1 HA ALA 1 19.678 -0.970 0.158 5 HB1 ALA 1 HB1 ALA 1 18.992 -2.951 2.096 6 HB2 ALA 1 HB2 ALA 1 17.928 -2.148 0.939 7 HB3 ALA 1 HB3 ALA 1 18.171 -1.454 2.542 8 H ALA 2 HN ALA 2 19.155 1.141 0.452 9 HA ALA 2 HA ALA 2 20.609 2.716 2.299 10 HB1 ALA 2 HB1 ALA 2 18.104 3.483 0.782 11 HB2 ALA 2 HB2 ALA 2 19.734 3.532 0.109 12 HB3 ALA 2 HB3 ALA 2 19.305 4.581 1.460 13 H CYS 3 HN CYS 3 17.305 1.464 2.298 14 HA CYS 3 HA CYS 3 16.385 2.904 4.557 15 HB2 CYS 3 HB2 CYS 3 15.493 0.271 3.368 16 HB3 CYS 3 HB1 CYS 3 14.636 1.110 4.663 17 H HIS 4 HN HIS 4 18.056 -0.171 4.186 18 HA HIS 4 HA HIS 4 19.291 -1.391 5.701 19 HB2 HIS 4 HB2 HIS 4 18.485 0.728 7.710 20 HB3 HIS 4 HB1 HIS 4 19.723 -0.509 7.938 21 HD2 HIS 4 HD2 HIS 4 19.491 3.054 6.615 22 HE1 HIS 4 HE1 HIS 4 23.046 1.464 4.986 23 HE2 HIS 4 HE2 HIS 4 21.711 3.593 5.352 24 H ASN 5 HN ASN 5 16.066 -0.313 6.471 25 HA ASN 5 HA ASN 5 15.599 -2.617 8.224 26 HB2 ASN 5 HB2 ASN 5 13.942 -0.188 7.525 27 HB3 ASN 5 HB1 ASN 5 13.334 -1.522 8.505 28 HD21 ASN 5 HD21 ASN 5 13.669 1.173 9.533 29 HD22 ASN 5 HD22 ASN 5 14.867 1.113 10.734 30 H HIS 6 HN HIS 6 15.889 -2.467 5.121 31 HA HIS 6 HA HIS 6 15.104 -3.762 3.389 32 HB2 HIS 6 HB2 HIS 6 14.788 -5.575 4.977 33 HB3 HIS 6 HB1 HIS 6 13.262 -4.876 5.518 34 HD2 HIS 6 HD2 HIS 6 11.067 -5.634 4.000 35 HE1 HIS 6 HE1 HIS 6 13.174 -7.376 0.783 36 HE2 HIS 6 HE2 HIS 6 10.868 -6.975 1.768 37 H ALA 7 HN ALA 7 12.311 -2.831 5.425 38 HA ALA 7 HA ALA 7 11.340 -0.867 3.681 39 HB1 ALA 7 HB1 ALA 7 10.594 -2.188 1.998 40 HB2 ALA 7 HB2 ALA 7 9.248 -2.506 3.091 41 HB3 ALA 7 HB3 ALA 7 10.599 -3.637 3.001 42 HA PRO 8 HA PRO 8 8.910 -0.456 3.026 43 HB2 PRO 8 HB2 PRO 8 7.929 2.008 3.791 44 HB3 PRO 8 HB1 PRO 8 6.943 0.542 3.644 45 HG2 PRO 8 HG2 PRO 8 8.075 1.823 6.073 46 HG3 PRO 8 HG1 PRO 8 6.521 1.004 5.842 47 HD2 PRO 8 HD2 PRO 8 8.644 -0.182 7.094 48 HD3 PRO 8 HD1 PRO 8 7.423 -1.097 6.183 49 H DAL 9 HN DAL 9 10.142 0.814 1.714 50 HA DAL 9 HA DAL 9 12.295 1.648 1.229 51 HB1 DAL 9 HB2 DAL 9 12.570 3.002 3.863 52 HB2 DAL 9 HB3 DAL 9 12.712 1.244 3.833 53 H MET 10 HN MET 10 13.210 4.184 2.007 54 HA MET 10 HA MET 10 11.005 6.054 1.763 55 HB2 MET 10 HB2 MET 10 12.851 6.718 3.163 56 HB3 MET 10 HB1 MET 10 14.006 6.429 1.863 57 HG2 MET 10 HG2 MET 10 12.116 8.167 0.748 58 HG3 MET 10 HG1 MET 10 12.376 8.783 2.379 59 HE1 MET 10 HE1 MET 10 15.127 7.268 -0.546 60 HE2 MET 10 HE2 MET 10 14.793 8.830 -1.288 61 HE3 MET 10 HE3 MET 10 13.457 7.771 -0.843 62 HA PRO 11 HA PRO 11 13.379 6.555 -2.512 63 HB2 PRO 11 HB2 PRO 11 14.121 3.711 -2.922 64 HB3 PRO 11 HB1 PRO 11 15.055 5.179 -3.254 65 HG2 PRO 11 HG2 PRO 11 15.656 3.573 -1.213 66 HG3 PRO 11 HG1 PRO 11 15.836 5.332 -1.102 67 HD2 PRO 11 HD2 PRO 11 13.689 3.582 0.049 68 HD3 PRO 11 HD1 PRO 11 14.454 5.032 0.738 69 HA PRO 12 HA PRO 12 9.250 5.057 -3.660 70 HB2 PRO 12 HB2 PRO 12 9.592 7.074 -5.793 71 HB3 PRO 12 HB1 PRO 12 8.318 6.931 -4.570 72 HG2 PRO 12 HG2 PRO 12 10.184 8.845 -4.459 73 HG3 PRO 12 HG1 PRO 12 9.503 8.100 -3.001 74 HD2 PRO 12 HD2 PRO 12 12.167 7.621 -4.291 75 HD3 PRO 12 HD1 PRO 12 11.740 7.666 -2.566 76 H DAL 13 HN DAL 13 10.055 3.018 -4.410 77 HA DAL 13 HA DAL 13 9.845 2.678 -7.240 78 HB1 DAL 13 HB2 DAL 13 10.917 0.375 -5.854 79 HB2 DAL 13 HB3 DAL 13 9.556 1.068 -4.975 80 H TYR 14 HN TYR 14 12.513 2.926 -5.001 81 HA TYR 14 HA TYR 14 14.410 3.380 -7.038 82 HB2 TYR 14 HB2 TYR 14 14.787 4.172 -4.776 83 HB3 TYR 14 HB1 TYR 14 14.803 2.521 -4.163 84 HD1 TYR 14 HD1 TYR 14 16.526 4.783 -6.593 85 HD2 TYR 14 HD2 TYR 14 16.810 1.303 -4.093 86 HE1 TYR 14 HE1 TYR 14 18.954 4.625 -7.088 87 HE2 TYR 14 HE2 TYR 14 19.236 1.142 -4.588 88 HH TYR 14 HH TYR 14 20.863 1.864 -6.062 89 H TRP 15 HN TRP 15 13.656 0.505 -5.118 90 HA TRP 15 HA TRP 15 15.610 -1.136 -6.476 91 HB2 TRP 15 HB2 TRP 15 13.382 -2.357 -4.919 92 HB3 TRP 15 HB1 TRP 15 15.103 -2.744 -4.914 93 HD1 TRP 15 HD1 TRP 15 16.614 -1.562 -3.169 94 HE1 TRP 15 HE1 TRP 15 16.169 0.100 -1.247 95 HE3 TRP 15 HE3 TRP 15 11.782 -0.286 -4.210 96 HZ2 TRP 15 HZ2 TRP 15 14.039 1.754 -0.283 97 HZ3 TRP 15 HZ3 TRP 15 10.571 1.335 -2.778 98 HH2 TRP 15 HH2 TRP 15 11.693 2.354 -0.817 99 H GLU 16 HN GLU 16 12.718 0.121 -7.396 100 HA GLU 16 HA GLU 16 11.100 -0.425 -8.932 101 HB2 GLU 16 HB2 GLU 16 11.915 -1.273 -10.991 102 HB3 GLU 16 HB1 GLU 16 13.262 -0.384 -10.285 103 HG2 GLU 16 HG2 GLU 16 13.082 -3.255 -9.550 104 HG3 GLU 16 HG1 GLU 16 13.487 -2.912 -11.232 105 H GLY 17 HN GLY 17 11.230 -2.092 -6.575 106 HA2 GLY 17 HA2 GLY 17 9.874 -4.466 -7.674 107 HA3 GLY 17 HA1 GLY 17 11.129 -4.677 -6.456 108 H GLU 18 HN GLU 18 10.624 -2.596 -4.732 109 HA GLU 18 HA GLU 18 8.484 -3.611 -3.176 110 HB2 GLU 18 HB2 GLU 18 10.000 -1.000 -2.986 111 HB3 GLU 18 HB1 GLU 18 8.891 -1.606 -1.755 112 HG2 GLU 18 HG2 GLU 18 11.348 -3.081 -2.744 113 HG3 GLU 18 HG1 GLU 18 11.264 -2.159 -1.245 114 H CYS 19 HN CYS 19 8.813 -0.658 -5.128 115 HA CYS 19 HA CYS 19 6.388 0.560 -4.583 116 HB2 CYS 19 HB2 CYS 19 6.650 1.122 -7.218 117 HB3 CYS 19 HB1 CYS 19 7.595 1.915 -5.959 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 23.577 4.240 3.749 2 H2 ALA 1 HT2 ALA 1 22.862 2.819 3.153 3 H3 ALA 1 HT3 ALA 1 22.168 3.634 4.473 4 HA ALA 1 HA ALA 1 21.660 5.533 3.071 5 HB1 ALA 1 HB1 ALA 1 22.389 3.889 0.671 6 HB2 ALA 1 HB2 ALA 1 23.658 4.786 1.505 7 HB3 ALA 1 HB3 ALA 1 22.271 5.641 0.830 8 H ALA 2 HN ALA 2 21.433 2.441 1.307 9 HA ALA 2 HA ALA 2 18.638 2.642 0.902 10 HB1 ALA 2 HB1 ALA 2 20.529 0.286 0.753 11 HB2 ALA 2 HB2 ALA 2 19.940 1.273 -0.584 12 HB3 ALA 2 HB3 ALA 2 18.832 0.207 0.279 13 H CYS 3 HN CYS 3 16.913 1.735 1.969 14 HA CYS 3 HA CYS 3 17.126 1.360 4.766 15 HB2 CYS 3 HB2 CYS 3 14.908 0.672 2.828 16 HB3 CYS 3 HB1 CYS 3 14.754 0.570 4.582 17 H HIS 4 HN HIS 4 16.870 -0.903 2.057 18 HA HIS 4 HA HIS 4 16.820 -3.238 2.068 19 HB2 HIS 4 HB2 HIS 4 18.978 -4.066 2.517 20 HB3 HIS 4 HB1 HIS 4 19.248 -2.369 2.120 21 HD2 HIS 4 HD2 HIS 4 19.912 -0.711 4.376 22 HE1 HIS 4 HE1 HIS 4 20.477 -3.924 7.056 23 HE2 HIS 4 HE2 HIS 4 20.799 -1.427 6.725 24 H ASN 5 HN ASN 5 15.294 -2.048 4.295 25 HA ASN 5 HA ASN 5 15.674 -4.161 6.331 26 HB2 ASN 5 HB2 ASN 5 14.448 -1.405 6.587 27 HB3 ASN 5 HB1 ASN 5 14.436 -2.624 7.861 28 HD21 ASN 5 HD21 ASN 5 17.238 -3.492 6.781 29 HD22 ASN 5 HD22 ASN 5 18.284 -2.357 7.489 30 H HIS 6 HN HIS 6 12.893 -2.885 7.194 31 HA HIS 6 HA HIS 6 11.328 -4.963 5.888 32 HB2 HIS 6 HB2 HIS 6 10.728 -3.004 8.108 33 HB3 HIS 6 HB1 HIS 6 9.528 -4.120 7.455 34 HD2 HIS 6 HD2 HIS 6 12.635 -4.186 9.809 35 HE1 HIS 6 HE1 HIS 6 11.243 -8.154 9.437 36 HE2 HIS 6 HE2 HIS 6 12.849 -6.636 10.687 37 H ALA 7 HN ALA 7 12.069 -1.717 5.346 38 HA ALA 7 HA ALA 7 11.238 -0.128 3.908 39 HB1 ALA 7 HB1 ALA 7 10.731 -2.673 2.715 40 HB2 ALA 7 HB2 ALA 7 10.982 -1.120 1.917 41 HB3 ALA 7 HB3 ALA 7 9.356 -1.620 2.384 42 HA PRO 8 HA PRO 8 9.487 0.383 1.951 43 HB2 PRO 8 HB2 PRO 8 8.617 2.995 1.850 44 HB3 PRO 8 HB1 PRO 8 7.634 1.597 1.378 45 HG2 PRO 8 HG2 PRO 8 7.586 3.188 3.883 46 HG3 PRO 8 HG1 PRO 8 6.254 2.428 2.996 47 HD2 PRO 8 HD2 PRO 8 7.334 1.362 5.282 48 HD3 PRO 8 HD1 PRO 8 6.565 0.382 4.015 49 H DAL 9 HN DAL 9 11.221 1.627 1.198 50 HA DAL 9 HA DAL 9 13.447 2.242 1.672 51 HB1 DAL 9 HB2 DAL 9 12.649 3.549 4.241 52 HB2 DAL 9 HB3 DAL 9 12.778 1.791 4.179 53 H MET 10 HN MET 10 14.404 4.580 2.460 54 HA MET 10 HA MET 10 13.014 6.923 2.276 55 HB2 MET 10 HB2 MET 10 15.760 6.075 1.613 56 HB3 MET 10 HB1 MET 10 15.229 7.557 0.816 57 HG2 MET 10 HG2 MET 10 14.356 8.201 3.210 58 HG3 MET 10 HG1 MET 10 15.515 6.986 3.752 59 HE1 MET 10 HE1 MET 10 18.797 8.140 2.077 60 HE2 MET 10 HE2 MET 10 17.563 7.604 0.939 61 HE3 MET 10 HE3 MET 10 17.751 6.772 2.481 62 HA PRO 11 HA PRO 11 13.105 7.099 -2.485 63 HB2 PRO 11 HB2 PRO 11 14.347 5.113 -3.878 64 HB3 PRO 11 HB1 PRO 11 15.194 6.548 -3.275 65 HG2 PRO 11 HG2 PRO 11 15.107 3.795 -2.138 66 HG3 PRO 11 HG1 PRO 11 16.464 4.928 -2.253 67 HD2 PRO 11 HD2 PRO 11 15.038 4.526 0.050 68 HD3 PRO 11 HD1 PRO 11 15.854 6.057 -0.340 69 HA PRO 12 HA PRO 12 9.650 4.181 -2.290 70 HB2 PRO 12 HB2 PRO 12 7.973 5.705 -3.833 71 HB3 PRO 12 HB1 PRO 12 8.234 5.978 -2.101 72 HG2 PRO 12 HG2 PRO 12 9.382 7.412 -4.438 73 HG3 PRO 12 HG1 PRO 12 8.850 8.045 -2.870 74 HD2 PRO 12 HD2 PRO 12 11.487 7.628 -3.503 75 HD3 PRO 12 HD1 PRO 12 10.860 7.561 -1.841 76 H DAL 13 HN DAL 13 10.777 2.596 -3.581 77 HA DAL 13 HA DAL 13 9.934 2.642 -6.409 78 HB1 DAL 13 HB2 DAL 13 10.884 0.076 -5.444 79 HB2 DAL 13 HB3 DAL 13 9.593 0.709 -4.422 80 H TYR 14 HN TYR 14 12.680 2.417 -4.292 81 HA TYR 14 HA TYR 14 14.547 3.042 -6.306 82 HB2 TYR 14 HB2 TYR 14 14.934 3.414 -3.900 83 HB3 TYR 14 HB1 TYR 14 15.027 1.676 -3.649 84 HD1 TYR 14 HD1 TYR 14 16.635 4.582 -5.277 85 HD2 TYR 14 HD2 TYR 14 16.983 0.422 -4.275 86 HE1 TYR 14 HE1 TYR 14 19.033 4.635 -5.900 87 HE2 TYR 14 HE2 TYR 14 19.383 0.471 -4.900 88 HH TYR 14 HH TYR 14 20.903 3.466 -6.111 89 H TRP 15 HN TRP 15 13.707 -0.033 -4.766 90 HA TRP 15 HA TRP 15 15.509 -1.549 -6.456 91 HB2 TRP 15 HB2 TRP 15 13.391 -2.937 -4.906 92 HB3 TRP 15 HB1 TRP 15 15.114 -3.291 -5.027 93 HD1 TRP 15 HD1 TRP 15 16.698 -2.284 -3.226 94 HE1 TRP 15 HE1 TRP 15 16.321 -0.863 -1.103 95 HE3 TRP 15 HE3 TRP 15 11.798 -1.010 -3.876 96 HZ2 TRP 15 HZ2 TRP 15 14.215 0.611 0.149 97 HZ3 TRP 15 HZ3 TRP 15 10.633 0.402 -2.207 98 HH2 TRP 15 HH2 TRP 15 11.834 1.213 -0.197 99 H GLU 16 HN GLU 16 12.639 -0.081 -6.996 100 HA GLU 16 HA GLU 16 10.829 -0.434 -8.383 101 HB2 GLU 16 HB2 GLU 16 11.457 -1.113 -10.640 102 HB3 GLU 16 HB1 GLU 16 12.681 -0.030 -9.977 103 HG2 GLU 16 HG2 GLU 16 14.084 -1.955 -9.379 104 HG3 GLU 16 HG1 GLU 16 12.856 -3.057 -9.999 105 H GLY 17 HN GLY 17 11.576 -2.633 -6.435 106 HA2 GLY 17 HA2 GLY 17 10.163 -4.847 -7.802 107 HA3 GLY 17 HA1 GLY 17 11.385 -5.096 -6.559 108 H GLU 18 HN GLU 18 10.691 -3.293 -4.637 109 HA GLU 18 HA GLU 18 8.538 -4.588 -3.320 110 HB2 GLU 18 HB2 GLU 18 9.989 -2.000 -2.733 111 HB3 GLU 18 HB1 GLU 18 8.794 -2.721 -1.656 112 HG2 GLU 18 HG2 GLU 18 10.141 -4.754 -1.470 113 HG3 GLU 18 HG1 GLU 18 11.314 -4.107 -2.615 114 H CYS 19 HN CYS 19 8.811 -1.517 -5.055 115 HA CYS 19 HA CYS 19 6.081 -0.756 -4.475 116 HB2 CYS 19 HB2 CYS 19 6.607 1.069 -6.174 117 HB3 CYS 19 HB1 CYS 19 7.616 1.045 -4.727 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 21.214 -0.396 2.763 2 H2 ALA 1 HT2 ALA 1 22.845 -0.640 2.352 3 H3 ALA 1 HT3 ALA 1 21.782 0.072 1.234 4 HA ALA 1 HA ALA 1 22.977 1.229 3.663 5 HB1 ALA 1 HB1 ALA 1 22.494 2.894 1.306 6 HB2 ALA 1 HB2 ALA 1 23.458 1.463 0.939 7 HB3 ALA 1 HB3 ALA 1 23.997 2.596 2.178 8 H ALA 2 HN ALA 2 20.382 1.851 1.284 9 HA ALA 2 HA ALA 2 19.119 3.863 2.850 10 HB1 ALA 2 HB1 ALA 2 17.476 2.320 0.925 11 HB2 ALA 2 HB2 ALA 2 18.909 3.110 0.266 12 HB3 ALA 2 HB3 ALA 2 17.678 4.064 1.094 13 H CYS 3 HN CYS 3 17.319 3.766 4.166 14 HA CYS 3 HA CYS 3 15.694 2.844 5.524 15 HB2 CYS 3 HB2 CYS 3 16.244 0.142 4.311 16 HB3 CYS 3 HB1 CYS 3 14.747 0.748 5.019 17 H HIS 4 HN HIS 4 18.612 0.903 5.023 18 HA HIS 4 HA HIS 4 20.087 -0.036 6.515 19 HB2 HIS 4 HB2 HIS 4 18.645 1.760 8.482 20 HB3 HIS 4 HB1 HIS 4 20.154 0.904 8.802 21 HD2 HIS 4 HD2 HIS 4 18.943 4.140 7.045 22 HE1 HIS 4 HE1 HIS 4 23.065 3.749 6.216 23 HE2 HIS 4 HE2 HIS 4 21.066 5.306 6.063 24 H ASN 5 HN ASN 5 16.811 -0.511 6.569 25 HA ASN 5 HA ASN 5 17.088 -2.794 8.419 26 HB2 ASN 5 HB2 ASN 5 14.821 -0.819 8.192 27 HB3 ASN 5 HB1 ASN 5 14.621 -2.404 8.939 28 HD21 ASN 5 HD21 ASN 5 17.523 -2.249 9.943 29 HD22 ASN 5 HD22 ASN 5 17.439 -1.212 11.280 30 H HIS 6 HN HIS 6 14.070 -2.101 6.914 31 HA HIS 6 HA HIS 6 14.555 -3.775 4.591 32 HB2 HIS 6 HB2 HIS 6 13.030 -5.521 5.149 33 HB3 HIS 6 HB1 HIS 6 14.112 -5.354 6.531 34 HD2 HIS 6 HD2 HIS 6 10.335 -4.985 5.706 35 HE1 HIS 6 HE1 HIS 6 10.876 -3.695 9.690 36 HE2 HIS 6 HE2 HIS 6 9.148 -4.280 7.923 37 H ALA 7 HN ALA 7 12.623 -3.926 3.204 38 HA ALA 7 HA ALA 7 11.469 -1.482 2.671 39 HB1 ALA 7 HB1 ALA 7 11.480 -3.481 1.156 40 HB2 ALA 7 HB2 ALA 7 9.931 -2.642 1.225 41 HB3 ALA 7 HB3 ALA 7 10.158 -4.149 2.112 42 HA PRO 8 HA PRO 8 9.421 -0.755 1.730 43 HB2 PRO 8 HB2 PRO 8 8.454 1.693 2.540 44 HB3 PRO 8 HB1 PRO 8 7.432 0.346 2.004 45 HG2 PRO 8 HG2 PRO 8 8.037 1.288 4.751 46 HG3 PRO 8 HG1 PRO 8 6.543 0.607 4.088 47 HD2 PRO 8 HD2 PRO 8 8.285 -0.832 5.650 48 HD3 PRO 8 HD1 PRO 8 7.221 -1.570 4.432 49 H DAL 9 HN DAL 9 10.933 0.623 0.885 50 HA DAL 9 HA DAL 9 13.182 1.327 0.960 51 HB1 DAL 9 HB2 DAL 9 12.989 2.220 3.793 52 HB2 DAL 9 HB3 DAL 9 13.057 0.486 3.482 53 H MET 10 HN MET 10 14.185 3.590 1.963 54 HA MET 10 HA MET 10 12.386 5.763 2.202 55 HB2 MET 10 HB2 MET 10 14.548 6.152 3.033 56 HB3 MET 10 HB1 MET 10 15.320 5.538 1.574 57 HG2 MET 10 HG2 MET 10 13.502 7.826 1.135 58 HG3 MET 10 HG1 MET 10 14.931 8.197 2.099 59 HE1 MET 10 HE1 MET 10 17.346 7.208 1.390 60 HE2 MET 10 HE2 MET 10 17.001 8.919 1.148 61 HE3 MET 10 HE3 MET 10 17.865 8.018 -0.094 62 HA PRO 11 HA PRO 11 13.342 6.636 -2.449 63 HB2 PRO 11 HB2 PRO 11 14.449 4.581 -3.876 64 HB3 PRO 11 HB1 PRO 11 15.400 5.845 -3.081 65 HG2 PRO 11 HG2 PRO 11 14.814 3.072 -2.152 66 HG3 PRO 11 HG1 PRO 11 16.322 3.999 -2.059 67 HD2 PRO 11 HD2 PRO 11 14.672 3.699 0.075 68 HD3 PRO 11 HD1 PRO 11 15.644 5.166 -0.178 69 HA PRO 12 HA PRO 12 9.476 4.280 -2.852 70 HB2 PRO 12 HB2 PRO 12 8.753 6.588 -4.549 71 HB3 PRO 12 HB1 PRO 12 7.942 5.951 -3.107 72 HG2 PRO 12 HG2 PRO 12 9.286 8.257 -3.052 73 HG3 PRO 12 HG1 PRO 12 9.264 7.151 -1.666 74 HD2 PRO 12 HD2 PRO 12 11.436 7.565 -3.704 75 HD3 PRO 12 HD1 PRO 12 11.571 7.331 -1.945 76 H DAL 13 HN DAL 13 10.342 2.618 -4.167 77 HA DAL 13 HA DAL 13 10.008 3.096 -7.065 78 HB1 DAL 13 HB2 DAL 13 10.151 0.308 -6.185 79 HB2 DAL 13 HB3 DAL 13 8.820 1.202 -5.451 80 H TYR 14 HN TYR 14 12.270 2.272 -4.627 81 HA TYR 14 HA TYR 14 14.497 2.417 -6.344 82 HB2 TYR 14 HB2 TYR 14 14.588 2.809 -3.913 83 HB3 TYR 14 HB1 TYR 14 14.294 1.101 -3.627 84 HD1 TYR 14 HD1 TYR 14 16.681 3.567 -5.001 85 HD2 TYR 14 HD2 TYR 14 16.021 -0.546 -3.960 86 HE1 TYR 14 HE1 TYR 14 19.103 3.117 -5.256 87 HE2 TYR 14 HE2 TYR 14 18.445 -1.000 -4.215 88 HH TYR 14 HH TYR 14 20.401 -0.174 -4.952 89 H TRP 15 HN TRP 15 12.807 -0.339 -4.923 90 HA TRP 15 HA TRP 15 14.492 -2.301 -6.186 91 HB2 TRP 15 HB2 TRP 15 11.796 -3.083 -5.222 92 HB3 TRP 15 HB1 TRP 15 13.363 -3.830 -4.914 93 HD1 TRP 15 HD1 TRP 15 14.625 -3.155 -2.747 94 HE1 TRP 15 HE1 TRP 15 14.093 -1.571 -0.776 95 HE3 TRP 15 HE3 TRP 15 10.529 -0.756 -4.623 96 HZ2 TRP 15 HZ2 TRP 15 12.176 0.435 -0.092 97 HZ3 TRP 15 HZ3 TRP 15 9.375 0.988 -3.297 98 HH2 TRP 15 HH2 TRP 15 10.189 1.585 -1.035 99 H GLU 16 HN GLU 16 12.153 -0.260 -7.321 100 HA GLU 16 HA GLU 16 10.717 -0.247 -9.120 101 HB2 GLU 16 HB2 GLU 16 11.699 -1.120 -11.184 102 HB3 GLU 16 HB1 GLU 16 12.922 -0.278 -10.232 103 HG2 GLU 16 HG2 GLU 16 13.797 -2.380 -9.393 104 HG3 GLU 16 HG1 GLU 16 12.494 -3.277 -10.172 105 H GLY 17 HN GLY 17 10.477 -2.489 -7.109 106 HA2 GLY 17 HA2 GLY 17 8.986 -4.385 -8.828 107 HA3 GLY 17 HA1 GLY 17 9.814 -4.868 -7.351 108 H GLU 18 HN GLU 18 9.105 -2.901 -5.592 109 HA GLU 18 HA GLU 18 6.480 -3.676 -4.830 110 HB2 GLU 18 HB2 GLU 18 8.295 -1.466 -3.846 111 HB3 GLU 18 HB1 GLU 18 6.755 -1.877 -3.093 112 HG2 GLU 18 HG2 GLU 18 9.046 -3.819 -3.500 113 HG3 GLU 18 HG1 GLU 18 8.684 -2.998 -1.984 114 H CYS 19 HN CYS 19 7.800 -0.850 -6.467 115 HA CYS 19 HA CYS 19 5.203 0.479 -6.501 116 HB2 CYS 19 HB2 CYS 19 6.485 2.224 -7.807 117 HB3 CYS 19 HB1 CYS 19 7.083 1.927 -6.174 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 22.044 3.320 2.400 2 H2 ALA 1 HT2 ALA 1 21.813 1.906 1.487 3 H3 ALA 1 HT3 ALA 1 23.063 1.985 2.635 4 HA ALA 1 HA ALA 1 20.908 0.734 3.229 5 HB1 ALA 1 HB1 ALA 1 21.135 2.111 5.577 6 HB2 ALA 1 HB2 ALA 1 22.657 2.533 4.792 7 HB3 ALA 1 HB3 ALA 1 22.248 0.840 5.069 8 H ALA 2 HN ALA 2 19.505 2.128 1.575 9 HA ALA 2 HA ALA 2 18.170 4.438 2.514 10 HB1 ALA 2 HB1 ALA 2 17.984 2.631 0.257 11 HB2 ALA 2 HB2 ALA 2 17.534 4.333 0.364 12 HB3 ALA 2 HB3 ALA 2 16.383 3.083 0.839 13 H CYS 3 HN CYS 3 17.463 0.986 2.802 14 HA CYS 3 HA CYS 3 15.094 1.605 4.433 15 HB2 CYS 3 HB2 CYS 3 15.805 -0.524 2.602 16 HB3 CYS 3 HB1 CYS 3 15.337 -1.175 4.172 17 H HIS 4 HN HIS 4 18.336 0.430 4.617 18 HA HIS 4 HA HIS 4 19.659 -0.043 6.440 19 HB2 HIS 4 HB2 HIS 4 17.197 0.769 8.005 20 HB3 HIS 4 HB1 HIS 4 18.789 0.468 8.703 21 HD2 HIS 4 HD2 HIS 4 16.862 3.405 7.261 22 HE1 HIS 4 HE1 HIS 4 20.936 4.461 6.928 23 HE2 HIS 4 HE2 HIS 4 18.556 5.335 6.789 24 H ASN 5 HN ASN 5 16.333 -1.281 6.594 25 HA ASN 5 HA ASN 5 17.444 -3.925 7.277 26 HB2 ASN 5 HB2 ASN 5 16.463 -2.740 9.298 27 HB3 ASN 5 HB1 ASN 5 14.898 -2.850 8.494 28 HD21 ASN 5 HD21 ASN 5 13.956 -4.412 9.928 29 HD22 ASN 5 HD22 ASN 5 14.546 -5.998 10.064 30 H HIS 6 HN HIS 6 14.200 -2.546 6.730 31 HA HIS 6 HA HIS 6 13.942 -3.959 4.204 32 HB2 HIS 6 HB2 HIS 6 11.932 -5.209 4.909 33 HB3 HIS 6 HB1 HIS 6 13.365 -5.727 5.796 34 HD2 HIS 6 HD2 HIS 6 9.857 -4.364 6.546 35 HE1 HIS 6 HE1 HIS 6 12.073 -3.960 10.118 36 HE2 HIS 6 HE2 HIS 6 9.747 -3.848 9.103 37 H ALA 7 HN ALA 7 11.907 -3.435 3.109 38 HA ALA 7 HA ALA 7 11.323 -0.807 2.870 39 HB1 ALA 7 HB1 ALA 7 10.314 -3.004 1.718 40 HB2 ALA 7 HB2 ALA 7 9.543 -1.425 1.574 41 HB3 ALA 7 HB3 ALA 7 8.949 -2.590 2.757 42 HA PRO 8 HA PRO 8 9.271 0.368 2.353 43 HB2 PRO 8 HB2 PRO 8 9.072 2.993 3.154 44 HB3 PRO 8 HB1 PRO 8 7.690 1.891 3.009 45 HG2 PRO 8 HG2 PRO 8 9.164 2.774 5.426 46 HG3 PRO 8 HG1 PRO 8 7.443 2.418 5.214 47 HD2 PRO 8 HD2 PRO 8 9.209 0.691 6.423 48 HD3 PRO 8 HD1 PRO 8 7.724 0.166 5.602 49 H DAL 9 HN DAL 9 10.795 1.305 1.059 50 HA DAL 9 HA DAL 9 13.094 1.480 0.556 51 HB1 DAL 9 HB2 DAL 9 14.749 1.862 2.229 52 HB2 DAL 9 HB3 DAL 9 13.543 2.386 3.403 53 H MET 10 HN MET 10 14.587 3.694 1.903 54 HA MET 10 HA MET 10 13.347 6.129 1.965 55 HB2 MET 10 HB2 MET 10 15.600 6.277 2.441 56 HB3 MET 10 HB1 MET 10 16.065 5.245 1.090 57 HG2 MET 10 HG2 MET 10 15.483 7.054 -0.493 58 HG3 MET 10 HG1 MET 10 15.020 8.085 0.860 59 HE1 MET 10 HE1 MET 10 18.939 7.748 -1.097 60 HE2 MET 10 HE2 MET 10 17.407 8.484 -1.563 61 HE3 MET 10 HE3 MET 10 17.522 6.733 -1.403 62 HA PRO 11 HA PRO 11 13.663 6.802 -2.765 63 HB2 PRO 11 HB2 PRO 11 14.629 4.762 -4.304 64 HB3 PRO 11 HB1 PRO 11 15.657 6.020 -3.598 65 HG2 PRO 11 HG2 PRO 11 15.169 3.237 -2.647 66 HG3 PRO 11 HG1 PRO 11 16.675 4.168 -2.690 67 HD2 PRO 11 HD2 PRO 11 15.219 3.834 -0.411 68 HD3 PRO 11 HD1 PRO 11 16.193 5.289 -0.727 69 HA PRO 12 HA PRO 12 9.767 4.491 -2.749 70 HB2 PRO 12 HB2 PRO 12 8.982 6.683 -4.582 71 HB3 PRO 12 HB1 PRO 12 8.231 6.158 -3.065 72 HG2 PRO 12 HG2 PRO 12 9.612 8.435 -3.226 73 HG3 PRO 12 HG1 PRO 12 9.644 7.423 -1.771 74 HD2 PRO 12 HD2 PRO 12 11.719 7.681 -3.928 75 HD3 PRO 12 HD1 PRO 12 11.937 7.524 -2.170 76 H DAL 13 HN DAL 13 10.562 2.712 -3.978 77 HA DAL 13 HA DAL 13 9.814 2.855 -6.815 78 HB1 DAL 13 HB2 DAL 13 10.497 0.207 -5.990 79 HB2 DAL 13 HB3 DAL 13 9.445 0.923 -4.770 80 H TYR 14 HN TYR 14 12.568 2.251 -4.748 81 HA TYR 14 HA TYR 14 14.449 2.706 -6.809 82 HB2 TYR 14 HB2 TYR 14 14.947 3.004 -4.418 83 HB3 TYR 14 HB1 TYR 14 14.825 1.267 -4.173 84 HD1 TYR 14 HD1 TYR 14 16.764 3.971 -5.762 85 HD2 TYR 14 HD2 TYR 14 16.565 -0.235 -4.926 86 HE1 TYR 14 HE1 TYR 14 19.134 3.726 -6.448 87 HE2 TYR 14 HE2 TYR 14 18.938 -0.484 -5.614 88 HH TYR 14 HH TYR 14 20.564 1.635 -7.399 89 H TRP 15 HN TRP 15 13.246 -0.256 -5.294 90 HA TRP 15 HA TRP 15 14.846 -1.995 -6.946 91 HB2 TRP 15 HB2 TRP 15 12.430 -3.015 -5.551 92 HB3 TRP 15 HB1 TRP 15 14.054 -3.696 -5.622 93 HD1 TRP 15 HD1 TRP 15 15.725 -3.059 -3.735 94 HE1 TRP 15 HE1 TRP 15 15.547 -1.651 -1.581 95 HE3 TRP 15 HE3 TRP 15 11.184 -0.863 -4.497 96 HZ2 TRP 15 HZ2 TRP 15 13.713 0.157 -0.343 97 HZ3 TRP 15 HZ3 TRP 15 10.242 0.694 -2.817 98 HH2 TRP 15 HH2 TRP 15 11.499 1.208 -0.742 99 H GLU 16 HN GLU 16 12.201 -0.119 -7.551 100 HA GLU 16 HA GLU 16 10.450 -0.176 -9.051 101 HB2 GLU 16 HB2 GLU 16 11.129 -0.816 -11.310 102 HB3 GLU 16 HB1 GLU 16 12.420 0.091 -10.522 103 HG2 GLU 16 HG2 GLU 16 13.564 -2.009 -9.952 104 HG3 GLU 16 HG1 GLU 16 12.268 -2.932 -10.712 105 H GLY 17 HN GLY 17 10.541 -2.388 -7.147 106 HA2 GLY 17 HA2 GLY 17 8.875 -4.282 -8.669 107 HA3 GLY 17 HA1 GLY 17 10.176 -4.903 -7.659 108 H GLU 18 HN GLU 18 9.998 -3.225 -5.466 109 HA GLU 18 HA GLU 18 7.886 -4.415 -3.993 110 HB2 GLU 18 HB2 GLU 18 9.918 -2.282 -3.442 111 HB3 GLU 18 HB1 GLU 18 8.592 -2.533 -2.307 112 HG2 GLU 18 HG2 GLU 18 10.340 -3.941 -1.526 113 HG3 GLU 18 HG1 GLU 18 9.224 -5.020 -2.364 114 H CYS 19 HN CYS 19 8.303 -1.248 -5.492 115 HA CYS 19 HA CYS 19 5.799 -0.243 -4.438 116 HB2 CYS 19 HB2 CYS 19 6.319 1.683 -6.020 117 HB3 CYS 19 HB1 CYS 19 7.501 1.391 -4.744 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 16.422 -2.558 -2.339 2 H2 ALA 1 HT2 ALA 1 15.270 -3.801 -2.210 3 H3 ALA 1 HT3 ALA 1 16.866 -4.060 -1.687 4 HA ALA 1 HA ALA 1 15.021 -2.070 -0.488 5 HB1 ALA 1 HB1 ALA 1 15.062 -4.909 -0.227 6 HB2 ALA 1 HB2 ALA 1 14.107 -3.750 0.697 7 HB3 ALA 1 HB3 ALA 1 15.706 -4.228 1.268 8 H ALA 2 HN ALA 2 17.153 -0.859 -0.983 9 HA ALA 2 HA ALA 2 19.523 -1.462 0.423 10 HB1 ALA 2 HB1 ALA 2 20.268 0.327 -0.702 11 HB2 ALA 2 HB2 ALA 2 19.136 1.384 0.140 12 HB3 ALA 2 HB3 ALA 2 18.636 0.550 -1.330 13 H CYS 3 HN CYS 3 16.642 0.372 1.298 14 HA CYS 3 HA CYS 3 17.293 1.775 3.501 15 HB2 CYS 3 HB2 CYS 3 14.922 0.327 2.643 16 HB3 CYS 3 HB1 CYS 3 15.058 0.372 4.401 17 H HIS 4 HN HIS 4 18.662 1.330 5.081 18 HA HIS 4 HA HIS 4 19.569 -1.180 5.860 19 HB2 HIS 4 HB2 HIS 4 19.403 1.371 7.481 20 HB3 HIS 4 HB1 HIS 4 20.357 -0.044 7.925 21 HD2 HIS 4 HD2 HIS 4 20.398 2.795 5.184 22 HE1 HIS 4 HE1 HIS 4 24.062 0.711 4.999 23 HE2 HIS 4 HE2 HIS 4 22.780 2.716 4.119 24 H ASN 5 HN ASN 5 16.938 0.777 7.240 25 HA ASN 5 HA ASN 5 16.320 -1.001 9.360 26 HB2 ASN 5 HB2 ASN 5 14.715 1.131 7.945 27 HB3 ASN 5 HB1 ASN 5 14.084 0.210 9.312 28 HD21 ASN 5 HD21 ASN 5 16.966 0.103 10.437 29 HD22 ASN 5 HD22 ASN 5 17.173 1.632 11.143 30 H HIS 6 HN HIS 6 13.434 -0.496 7.791 31 HA HIS 6 HA HIS 6 13.470 -3.093 6.404 32 HB2 HIS 6 HB2 HIS 6 11.500 -2.249 8.537 33 HB3 HIS 6 HB1 HIS 6 11.235 -3.603 7.437 34 HD2 HIS 6 HD2 HIS 6 12.928 -2.967 10.792 35 HE1 HIS 6 HE1 HIS 6 14.620 -6.543 9.314 36 HE2 HIS 6 HE2 HIS 6 14.400 -5.050 11.358 37 H ALA 7 HN ALA 7 12.107 -3.240 4.656 38 HA ALA 7 HA ALA 7 11.420 -0.877 3.316 39 HB1 ALA 7 HB1 ALA 7 9.931 -3.367 2.659 40 HB2 ALA 7 HB2 ALA 7 11.690 -3.411 2.520 41 HB3 ALA 7 HB3 ALA 7 10.760 -2.234 1.592 42 HA PRO 8 HA PRO 8 9.770 -0.513 1.603 43 HB2 PRO 8 HB2 PRO 8 8.614 1.980 1.431 44 HB3 PRO 8 HB1 PRO 8 7.797 0.474 0.973 45 HG2 PRO 8 HG2 PRO 8 7.513 2.112 3.426 46 HG3 PRO 8 HG1 PRO 8 6.301 1.162 2.549 47 HD2 PRO 8 HD2 PRO 8 7.492 0.318 4.887 48 HD3 PRO 8 HD1 PRO 8 6.823 -0.787 3.668 49 H DAL 9 HN DAL 9 11.288 1.015 0.837 50 HA DAL 9 HA DAL 9 13.421 1.904 1.310 51 HB1 DAL 9 HB2 DAL 9 12.518 3.020 3.929 52 HB2 DAL 9 HB3 DAL 9 12.832 1.289 3.814 53 H MET 10 HN MET 10 13.281 4.412 3.090 54 HA MET 10 HA MET 10 11.668 6.404 2.523 55 HB2 MET 10 HB2 MET 10 14.312 7.223 1.594 56 HB3 MET 10 HB1 MET 10 13.402 7.758 3.007 57 HG2 MET 10 HG2 MET 10 14.132 5.847 4.289 58 HG3 MET 10 HG1 MET 10 14.863 5.108 2.865 59 HE1 MET 10 HE1 MET 10 16.578 7.383 1.368 60 HE2 MET 10 HE2 MET 10 16.725 5.664 1.726 61 HE3 MET 10 HE3 MET 10 18.029 6.764 2.169 62 HA PRO 11 HA PRO 11 13.152 6.958 -2.084 63 HB2 PRO 11 HB2 PRO 11 14.219 4.251 -2.643 64 HB3 PRO 11 HB1 PRO 11 14.871 5.837 -3.092 65 HG2 PRO 11 HG2 PRO 11 16.018 4.378 -1.186 66 HG3 PRO 11 HG1 PRO 11 15.912 6.142 -1.063 67 HD2 PRO 11 HD2 PRO 11 14.258 4.055 0.326 68 HD3 PRO 11 HD1 PRO 11 14.910 5.588 0.954 69 HA PRO 12 HA PRO 12 9.192 4.768 -2.557 70 HB2 PRO 12 HB2 PRO 12 8.170 6.602 -4.337 71 HB3 PRO 12 HB1 PRO 12 8.108 6.786 -2.574 72 HG2 PRO 12 HG2 PRO 12 9.983 8.003 -4.539 73 HG3 PRO 12 HG1 PRO 12 9.235 8.716 -3.099 74 HD2 PRO 12 HD2 PRO 12 11.819 7.852 -3.123 75 HD3 PRO 12 HD1 PRO 12 10.807 7.789 -1.663 76 H DAL 13 HN DAL 13 10.153 2.984 -3.678 77 HA DAL 13 HA DAL 13 9.458 2.854 -6.449 78 HB1 DAL 13 HB2 DAL 13 11.227 0.732 -5.502 79 HB2 DAL 13 HB3 DAL 13 9.859 1.009 -4.424 80 H TYR 14 HN TYR 14 12.383 3.533 -4.702 81 HA TYR 14 HA TYR 14 13.742 4.519 -6.967 82 HB2 TYR 14 HB2 TYR 14 14.328 5.218 -4.720 83 HB3 TYR 14 HB1 TYR 14 14.809 3.579 -4.297 84 HD1 TYR 14 HD1 TYR 14 15.516 6.286 -6.777 85 HD2 TYR 14 HD2 TYR 14 17.031 2.906 -4.606 86 HE1 TYR 14 HE1 TYR 14 17.786 6.740 -7.660 87 HE2 TYR 14 HE2 TYR 14 19.304 3.355 -5.492 88 HH TYR 14 HH TYR 14 20.474 5.732 -6.426 89 H TRP 15 HN TRP 15 13.974 1.444 -5.236 90 HA TRP 15 HA TRP 15 15.986 0.365 -6.992 91 HB2 TRP 15 HB2 TRP 15 14.277 -1.412 -5.307 92 HB3 TRP 15 HB1 TRP 15 16.022 -1.443 -5.564 93 HD1 TRP 15 HD1 TRP 15 17.527 -0.072 -3.935 94 HE1 TRP 15 HE1 TRP 15 17.054 1.294 -1.797 95 HE3 TRP 15 HE3 TRP 15 12.432 0.158 -4.143 96 HZ2 TRP 15 HZ2 TRP 15 14.808 2.341 -0.367 97 HZ3 TRP 15 HZ3 TRP 15 11.152 1.345 -2.385 98 HH2 TRP 15 HH2 TRP 15 12.333 2.436 -0.497 99 H GLU 16 HN GLU 16 12.795 1.034 -7.414 100 HA GLU 16 HA GLU 16 11.096 0.213 -8.741 101 HB2 GLU 16 HB2 GLU 16 11.818 -0.342 -11.022 102 HB3 GLU 16 HB1 GLU 16 12.672 1.076 -10.418 103 HG2 GLU 16 HG2 GLU 16 14.604 -0.331 -9.823 104 HG3 GLU 16 HG1 GLU 16 13.753 -1.757 -10.417 105 H GLY 17 HN GLY 17 12.109 -1.639 -6.743 106 HA2 GLY 17 HA2 GLY 17 11.264 -4.149 -8.041 107 HA3 GLY 17 HA1 GLY 17 12.701 -4.128 -7.023 108 H GLU 18 HN GLU 18 11.898 -2.469 -4.970 109 HA GLU 18 HA GLU 18 10.379 -4.244 -3.351 110 HB2 GLU 18 HB2 GLU 18 11.223 -1.368 -2.933 111 HB3 GLU 18 HB1 GLU 18 10.449 -2.360 -1.695 112 HG2 GLU 18 HG2 GLU 18 13.033 -3.072 -3.113 113 HG3 GLU 18 HG1 GLU 18 12.932 -2.369 -1.500 114 H CYS 19 HN CYS 19 9.619 -1.185 -4.973 115 HA CYS 19 HA CYS 19 6.999 -0.912 -3.920 116 HB2 CYS 19 HB2 CYS 19 6.784 0.474 -6.177 117 HB3 CYS 19 HB1 CYS 19 7.733 1.075 -4.817 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 22.636 0.072 5.037 2 H2 ALA 1 HT2 ALA 1 23.173 1.647 4.698 3 H3 ALA 1 HT3 ALA 1 23.905 0.315 3.939 4 HA ALA 1 HA ALA 1 22.484 1.291 2.341 5 HB1 ALA 1 HB1 ALA 1 21.462 -0.647 1.697 6 HB2 ALA 1 HB2 ALA 1 20.650 -0.853 3.249 7 HB3 ALA 1 HB3 ALA 1 22.340 -1.326 3.069 8 H ALA 2 HN ALA 2 20.278 1.939 1.745 9 HA ALA 2 HA ALA 2 19.139 3.693 3.662 10 HB1 ALA 2 HB1 ALA 2 18.615 4.499 1.603 11 HB2 ALA 2 HB2 ALA 2 17.190 3.476 1.783 12 HB3 ALA 2 HB3 ALA 2 18.584 2.895 0.871 13 H CYS 3 HN CYS 3 17.279 3.545 4.866 14 HA CYS 3 HA CYS 3 15.514 2.576 5.985 15 HB2 CYS 3 HB2 CYS 3 15.376 0.153 4.309 16 HB3 CYS 3 HB1 CYS 3 14.102 1.282 4.769 17 H HIS 4 HN HIS 4 18.055 0.355 4.897 18 HA HIS 4 HA HIS 4 19.129 -1.375 5.960 19 HB2 HIS 4 HB2 HIS 4 19.956 -0.868 8.086 20 HB3 HIS 4 HB1 HIS 4 19.594 0.726 7.423 21 HD2 HIS 4 HD2 HIS 4 17.996 2.203 9.117 22 HE1 HIS 4 HE1 HIS 4 16.242 -0.991 11.247 23 HE2 HIS 4 HE2 HIS 4 16.373 1.537 11.050 24 H ASN 5 HN ASN 5 15.958 -1.116 5.989 25 HA ASN 5 HA ASN 5 15.608 -3.577 7.567 26 HB2 ASN 5 HB2 ASN 5 14.839 -1.629 8.920 27 HB3 ASN 5 HB1 ASN 5 13.691 -1.238 7.641 28 HD21 ASN 5 HD21 ASN 5 14.623 -4.029 9.735 29 HD22 ASN 5 HD22 ASN 5 13.040 -4.627 9.880 30 H HIS 6 HN HIS 6 15.435 -4.850 5.742 31 HA HIS 6 HA HIS 6 14.626 -5.013 3.399 32 HB2 HIS 6 HB2 HIS 6 12.849 -6.286 5.489 33 HB3 HIS 6 HB1 HIS 6 12.807 -6.692 3.773 34 HD2 HIS 6 HD2 HIS 6 15.037 -7.362 6.902 35 HE1 HIS 6 HE1 HIS 6 16.866 -9.264 3.605 36 HE2 HIS 6 HE2 HIS 6 16.922 -8.997 6.130 37 H ALA 7 HN ALA 7 14.043 -2.697 3.047 38 HA ALA 7 HA ALA 7 12.548 -1.052 2.475 39 HB1 ALA 7 HB1 ALA 7 10.254 -2.712 1.936 40 HB2 ALA 7 HB2 ALA 7 11.719 -3.479 1.323 41 HB3 ALA 7 HB3 ALA 7 11.294 -1.848 0.802 42 HA PRO 8 HA PRO 8 10.331 -0.217 1.758 43 HB2 PRO 8 HB2 PRO 8 9.633 2.292 3.090 44 HB3 PRO 8 HB1 PRO 8 8.671 1.320 1.962 45 HG2 PRO 8 HG2 PRO 8 8.082 1.559 4.587 46 HG3 PRO 8 HG1 PRO 8 7.686 0.127 3.625 47 HD2 PRO 8 HD2 PRO 8 9.917 0.507 5.600 48 HD3 PRO 8 HD1 PRO 8 8.920 -0.932 5.283 49 H DAL 9 HN DAL 9 10.989 2.352 1.260 50 HA DAL 9 HA DAL 9 13.600 2.570 0.858 51 HB1 DAL 9 HB2 DAL 9 14.086 4.066 3.123 52 HB2 DAL 9 HB3 DAL 9 13.161 2.702 3.748 53 H MET 10 HN MET 10 14.486 5.014 1.396 54 HA MET 10 HA MET 10 12.647 7.126 1.483 55 HB2 MET 10 HB2 MET 10 15.473 6.783 0.647 56 HB3 MET 10 HB1 MET 10 14.638 8.205 0.017 57 HG2 MET 10 HG2 MET 10 13.904 8.711 2.383 58 HG3 MET 10 HG1 MET 10 14.979 7.421 2.922 59 HE1 MET 10 HE1 MET 10 17.097 8.013 0.268 60 HE2 MET 10 HE2 MET 10 17.377 7.226 1.819 61 HE3 MET 10 HE3 MET 10 18.376 8.597 1.343 62 HA PRO 11 HA PRO 11 12.705 7.379 -3.322 63 HB2 PRO 11 HB2 PRO 11 13.939 5.307 -4.646 64 HB3 PRO 11 HB1 PRO 11 14.734 6.833 -4.227 65 HG2 PRO 11 HG2 PRO 11 14.851 4.204 -2.820 66 HG3 PRO 11 HG1 PRO 11 16.145 5.370 -3.142 67 HD2 PRO 11 HD2 PRO 11 14.968 5.186 -0.713 68 HD3 PRO 11 HD1 PRO 11 15.528 6.743 -1.369 69 HA PRO 12 HA PRO 12 9.305 4.400 -2.783 70 HB2 PRO 12 HB2 PRO 12 7.917 6.323 -4.543 71 HB3 PRO 12 HB1 PRO 12 7.479 5.757 -2.921 72 HG2 PRO 12 HG2 PRO 12 8.375 8.232 -3.340 73 HG3 PRO 12 HG1 PRO 12 8.780 7.327 -1.872 74 HD2 PRO 12 HD2 PRO 12 10.482 7.821 -4.303 75 HD3 PRO 12 HD1 PRO 12 10.942 7.851 -2.584 76 H DAL 13 HN DAL 13 10.337 2.786 -4.085 77 HA DAL 13 HA DAL 13 9.494 2.851 -6.921 78 HB1 DAL 13 HB2 DAL 13 10.131 0.233 -5.735 79 HB2 DAL 13 HB3 DAL 13 8.740 1.042 -5.015 80 H TYR 14 HN TYR 14 12.131 2.650 -4.766 81 HA TYR 14 HA TYR 14 14.077 2.863 -6.786 82 HB2 TYR 14 HB2 TYR 14 14.418 3.570 -4.451 83 HB3 TYR 14 HB1 TYR 14 14.414 1.887 -3.942 84 HD1 TYR 14 HD1 TYR 14 16.290 4.535 -5.621 85 HD2 TYR 14 HD2 TYR 14 16.238 0.363 -4.615 86 HE1 TYR 14 HE1 TYR 14 18.703 4.378 -6.163 87 HE2 TYR 14 HE2 TYR 14 18.653 0.200 -5.159 88 HH TYR 14 HH TYR 14 20.675 2.314 -5.187 89 H TRP 15 HN TRP 15 12.945 0.106 -4.894 90 HA TRP 15 HA TRP 15 14.761 -1.762 -6.122 91 HB2 TRP 15 HB2 TRP 15 12.285 -2.716 -4.769 92 HB3 TRP 15 HB1 TRP 15 13.947 -3.284 -4.608 93 HD1 TRP 15 HD1 TRP 15 15.417 -2.245 -2.727 94 HE1 TRP 15 HE1 TRP 15 14.965 -0.538 -0.843 95 HE3 TRP 15 HE3 TRP 15 10.840 -0.512 -4.184 96 HZ2 TRP 15 HZ2 TRP 15 12.928 1.312 -0.062 97 HZ3 TRP 15 HZ3 TRP 15 9.669 1.219 -2.854 98 HH2 TRP 15 HH2 TRP 15 10.706 2.133 -0.796 99 H GLU 16 HN GLU 16 12.142 -0.154 -7.266 100 HA GLU 16 HA GLU 16 10.539 -0.539 -8.882 101 HB2 GLU 16 HB2 GLU 16 11.439 -1.515 -10.925 102 HB3 GLU 16 HB1 GLU 16 12.645 -0.462 -10.189 103 HG2 GLU 16 HG2 GLU 16 13.759 -2.404 -9.185 104 HG3 GLU 16 HG1 GLU 16 12.535 -3.475 -9.869 105 H GLY 17 HN GLY 17 10.842 -2.573 -6.625 106 HA2 GLY 17 HA2 GLY 17 9.360 -4.767 -7.950 107 HA3 GLY 17 HA1 GLY 17 10.462 -5.035 -6.602 108 H GLU 18 HN GLU 18 9.792 -2.950 -4.922 109 HA GLU 18 HA GLU 18 7.483 -3.964 -3.625 110 HB2 GLU 18 HB2 GLU 18 9.043 -1.403 -3.226 111 HB3 GLU 18 HB1 GLU 18 7.751 -1.948 -2.155 112 HG2 GLU 18 HG2 GLU 18 10.243 -3.548 -2.807 113 HG3 GLU 18 HG1 GLU 18 10.006 -2.610 -1.332 114 H CYS 19 HN CYS 19 8.040 -1.237 -5.779 115 HA CYS 19 HA CYS 19 5.311 -0.267 -5.456 116 HB2 CYS 19 HB2 CYS 19 6.108 1.352 -7.296 117 HB3 CYS 19 HB1 CYS 19 6.867 1.484 -5.710 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 22.044 7.394 2.522 2 H2 ALA 1 HT2 ALA 1 20.365 7.154 2.596 3 H3 ALA 1 HT3 ALA 1 21.160 7.152 1.094 4 HA ALA 1 HA ALA 1 22.023 5.074 1.365 5 HB1 ALA 1 HB1 ALA 1 23.187 5.618 3.467 6 HB2 ALA 1 HB2 ALA 1 22.377 4.056 3.590 7 HB3 ALA 1 HB3 ALA 1 21.666 5.479 4.350 8 H ALA 2 HN ALA 2 20.621 3.599 0.664 9 HA ALA 2 HA ALA 2 17.834 3.735 1.242 10 HB1 ALA 2 HB1 ALA 2 18.490 1.174 0.196 11 HB2 ALA 2 HB2 ALA 2 19.531 2.357 -0.597 12 HB3 ALA 2 HB3 ALA 2 17.779 2.547 -0.652 13 H CYS 3 HN CYS 3 16.537 2.373 2.466 14 HA CYS 3 HA CYS 3 17.796 1.220 4.788 15 HB2 CYS 3 HB2 CYS 3 15.472 0.667 5.456 16 HB3 CYS 3 HB1 CYS 3 15.653 2.364 5.014 17 H HIS 4 HN HIS 4 18.740 -0.698 4.708 18 HA HIS 4 HA HIS 4 18.391 -2.630 2.699 19 HB2 HIS 4 HB2 HIS 4 19.371 -3.096 5.525 20 HB3 HIS 4 HB1 HIS 4 19.707 -4.095 4.112 21 HD2 HIS 4 HD2 HIS 4 20.757 -0.583 5.561 22 HE1 HIS 4 HE1 HIS 4 23.294 -1.492 2.309 23 HE2 HIS 4 HE2 HIS 4 22.874 0.140 4.210 24 H ASN 5 HN ASN 5 16.376 -1.818 5.302 25 HA ASN 5 HA ASN 5 15.264 -4.402 5.838 26 HB2 ASN 5 HB2 ASN 5 14.344 -1.586 6.412 27 HB3 ASN 5 HB1 ASN 5 13.398 -3.004 6.869 28 HD21 ASN 5 HD21 ASN 5 14.548 -1.187 8.812 29 HD22 ASN 5 HD22 ASN 5 15.719 -2.049 9.687 30 H HIS 6 HN HIS 6 13.132 -5.109 5.284 31 HA HIS 6 HA HIS 6 12.531 -5.037 2.568 32 HB2 HIS 6 HB2 HIS 6 10.112 -5.649 3.614 33 HB3 HIS 6 HB1 HIS 6 11.439 -6.804 3.496 34 HD2 HIS 6 HD2 HIS 6 12.382 -7.717 5.953 35 HE1 HIS 6 HE1 HIS 6 10.301 -4.976 8.399 36 HE2 HIS 6 HE2 HIS 6 11.797 -7.028 8.403 37 H ALA 7 HN ALA 7 11.229 -3.086 5.223 38 HA ALA 7 HA ALA 7 10.782 -0.781 3.776 39 HB1 ALA 7 HB1 ALA 7 8.100 -1.198 3.774 40 HB2 ALA 7 HB2 ALA 7 8.677 -2.815 3.371 41 HB3 ALA 7 HB3 ALA 7 9.129 -1.439 2.363 42 HA PRO 8 HA PRO 8 8.904 0.775 3.767 43 HB2 PRO 8 HB2 PRO 8 9.521 3.224 5.247 44 HB3 PRO 8 HB1 PRO 8 8.009 2.748 4.455 45 HG2 PRO 8 HG2 PRO 8 8.306 2.900 7.143 46 HG3 PRO 8 HG1 PRO 8 7.167 1.804 6.343 47 HD2 PRO 8 HD2 PRO 8 9.841 1.189 7.553 48 HD3 PRO 8 HD1 PRO 8 8.358 0.211 7.532 49 H DAL 9 HN DAL 9 10.227 2.896 2.935 50 HA DAL 9 HA DAL 9 12.568 2.217 1.876 51 HB1 DAL 9 HB2 DAL 9 14.070 3.488 3.814 52 HB2 DAL 9 HB3 DAL 9 12.964 2.495 4.761 53 H MET 10 HN MET 10 14.282 4.217 1.890 54 HA MET 10 HA MET 10 12.898 6.782 1.999 55 HB2 MET 10 HB2 MET 10 15.701 5.859 1.786 56 HB3 MET 10 HB1 MET 10 15.323 7.354 0.931 57 HG2 MET 10 HG2 MET 10 14.231 8.181 3.061 58 HG3 MET 10 HG1 MET 10 14.902 6.765 3.870 59 HE1 MET 10 HE1 MET 10 18.694 7.135 3.028 60 HE2 MET 10 HE2 MET 10 17.650 6.858 1.635 61 HE3 MET 10 HE3 MET 10 17.322 6.024 3.153 62 HA PRO 11 HA PRO 11 13.942 6.789 -2.706 63 HB2 PRO 11 HB2 PRO 11 15.019 4.464 -3.720 64 HB3 PRO 11 HB1 PRO 11 15.978 5.851 -3.180 65 HG2 PRO 11 HG2 PRO 11 15.346 3.321 -1.732 66 HG3 PRO 11 HG1 PRO 11 16.866 4.230 -1.806 67 HD2 PRO 11 HD2 PRO 11 15.228 4.381 0.339 68 HD3 PRO 11 HD1 PRO 11 16.164 5.787 -0.222 69 HA PRO 12 HA PRO 12 10.008 4.507 -2.812 70 HB2 PRO 12 HB2 PRO 12 9.413 6.519 -4.899 71 HB3 PRO 12 HB1 PRO 12 8.532 6.150 -3.405 72 HG2 PRO 12 HG2 PRO 12 9.951 8.395 -3.679 73 HG3 PRO 12 HG1 PRO 12 9.843 7.539 -2.131 74 HD2 PRO 12 HD2 PRO 12 12.098 7.555 -4.119 75 HD3 PRO 12 HD1 PRO 12 12.164 7.598 -2.342 76 H DAL 13 HN DAL 13 10.917 2.631 -3.799 77 HA DAL 13 HA DAL 13 10.659 2.615 -6.744 78 HB1 DAL 13 HB2 DAL 13 10.670 0.011 -5.418 79 HB2 DAL 13 HB3 DAL 13 9.363 1.056 -4.864 80 H TYR 14 HN TYR 14 12.808 2.120 -4.115 81 HA TYR 14 HA TYR 14 15.096 1.918 -5.747 82 HB2 TYR 14 HB2 TYR 14 15.127 2.691 -3.407 83 HB3 TYR 14 HB1 TYR 14 14.747 1.061 -2.866 84 HD1 TYR 14 HD1 TYR 14 17.308 3.255 -4.306 85 HD2 TYR 14 HD2 TYR 14 16.387 -0.755 -3.079 86 HE1 TYR 14 HE1 TYR 14 19.717 2.679 -4.391 87 HE2 TYR 14 HE2 TYR 14 18.796 -1.336 -3.165 88 HH TYR 14 HH TYR 14 20.834 -0.583 -4.169 89 H TRP 15 HN TRP 15 13.271 -0.528 -3.952 90 HA TRP 15 HA TRP 15 14.917 -2.721 -4.781 91 HB2 TRP 15 HB2 TRP 15 12.090 -3.164 -3.940 92 HB3 TRP 15 HB1 TRP 15 13.555 -4.017 -3.455 93 HD1 TRP 15 HD1 TRP 15 14.851 -3.148 -1.364 94 HE1 TRP 15 HE1 TRP 15 14.373 -1.317 0.391 95 HE3 TRP 15 HE3 TRP 15 10.953 -0.751 -3.628 96 HZ2 TRP 15 HZ2 TRP 15 12.571 0.871 0.780 97 HZ3 TRP 15 HZ3 TRP 15 9.877 1.201 -2.546 98 HH2 TRP 15 HH2 TRP 15 10.679 2.014 -0.347 99 H GLU 16 HN GLU 16 12.931 -0.783 -6.504 100 HA GLU 16 HA GLU 16 11.628 -1.006 -8.400 101 HB2 GLU 16 HB2 GLU 16 12.765 -2.145 -10.197 102 HB3 GLU 16 HB1 GLU 16 13.981 -1.361 -9.190 103 HG2 GLU 16 HG2 GLU 16 13.185 -4.205 -8.631 104 HG3 GLU 16 HG1 GLU 16 14.338 -3.852 -9.917 105 H GLY 17 HN GLY 17 10.914 -2.762 -6.130 106 HA2 GLY 17 HA2 GLY 17 9.381 -4.751 -7.676 107 HA3 GLY 17 HA1 GLY 17 10.247 -5.248 -6.226 108 H GLU 18 HN GLU 18 9.775 -2.984 -4.625 109 HA GLU 18 HA GLU 18 7.221 -3.604 -3.556 110 HB2 GLU 18 HB2 GLU 18 9.092 -1.281 -3.039 111 HB3 GLU 18 HB1 GLU 18 7.643 -1.618 -2.091 112 HG2 GLU 18 HG2 GLU 18 9.911 -3.586 -2.493 113 HG3 GLU 18 HG1 GLU 18 9.728 -2.561 -1.071 114 H CYS 19 HN CYS 19 8.416 -0.970 -5.588 115 HA CYS 19 HA CYS 19 5.877 0.418 -5.576 116 HB2 CYS 19 HB2 CYS 19 7.082 1.728 -7.464 117 HB3 CYS 19 HB1 CYS 19 7.701 1.869 -5.818 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 21.932 0.480 -0.590 2 H2 ALA 1 HT2 ALA 1 21.744 2.113 -0.163 3 H3 ALA 1 HT3 ALA 1 21.208 1.562 -1.678 4 HA ALA 1 HA ALA 1 19.210 1.330 -0.772 5 HB1 ALA 1 HB1 ALA 1 19.086 -0.900 -0.499 6 HB2 ALA 1 HB2 ALA 1 19.607 -0.688 1.172 7 HB3 ALA 1 HB3 ALA 1 20.801 -0.977 -0.093 8 H ALA 2 HN ALA 2 18.539 3.035 0.401 9 HA ALA 2 HA ALA 2 19.719 3.946 2.800 10 HB1 ALA 2 HB1 ALA 2 17.308 4.564 1.219 11 HB2 ALA 2 HB2 ALA 2 18.465 5.652 1.986 12 HB3 ALA 2 HB3 ALA 2 17.177 4.917 2.941 13 H CYS 3 HN CYS 3 17.007 1.779 2.151 14 HA CYS 3 HA CYS 3 16.198 1.551 4.891 15 HB2 CYS 3 HB2 CYS 3 15.632 -0.559 2.839 16 HB3 CYS 3 HB1 CYS 3 14.598 0.039 4.136 17 H HIS 4 HN HIS 4 18.104 1.076 6.019 18 HA HIS 4 HA HIS 4 19.854 -1.055 5.424 19 HB2 HIS 4 HB2 HIS 4 19.205 0.253 8.077 20 HB3 HIS 4 HB1 HIS 4 20.565 -0.833 7.793 21 HD2 HIS 4 HD2 HIS 4 19.477 2.835 6.891 22 HE1 HIS 4 HE1 HIS 4 23.456 2.284 5.588 23 HE2 HIS 4 HE2 HIS 4 21.604 3.992 5.907 24 H ASN 5 HN ASN 5 16.756 -0.938 7.042 25 HA ASN 5 HA ASN 5 17.044 -3.726 7.935 26 HB2 ASN 5 HB2 ASN 5 14.974 -1.598 8.503 27 HB3 ASN 5 HB1 ASN 5 14.819 -3.270 9.042 28 HD21 ASN 5 HD21 ASN 5 15.062 -1.038 10.878 29 HD22 ASN 5 HD22 ASN 5 16.530 -1.219 11.710 30 H HIS 6 HN HIS 6 13.884 -2.575 7.276 31 HA HIS 6 HA HIS 6 13.749 -3.845 4.644 32 HB2 HIS 6 HB2 HIS 6 12.047 -5.407 5.235 33 HB3 HIS 6 HB1 HIS 6 13.336 -5.615 6.421 34 HD2 HIS 6 HD2 HIS 6 9.592 -4.634 6.321 35 HE1 HIS 6 HE1 HIS 6 10.945 -3.929 10.258 36 HE2 HIS 6 HE2 HIS 6 8.891 -4.062 8.771 37 H ALA 7 HN ALA 7 11.519 -3.592 3.697 38 HA ALA 7 HA ALA 7 10.774 -0.978 3.482 39 HB1 ALA 7 HB1 ALA 7 9.009 -3.419 3.236 40 HB2 ALA 7 HB2 ALA 7 9.937 -2.650 1.948 41 HB3 ALA 7 HB3 ALA 7 8.566 -1.808 2.672 42 HA PRO 8 HA PRO 8 8.544 0.032 3.030 43 HB2 PRO 8 HB2 PRO 8 8.269 2.632 3.920 44 HB3 PRO 8 HB1 PRO 8 6.932 1.477 3.770 45 HG2 PRO 8 HG2 PRO 8 8.435 2.333 6.180 46 HG3 PRO 8 HG1 PRO 8 6.725 1.907 6.000 47 HD2 PRO 8 HD2 PRO 8 8.568 0.212 7.107 48 HD3 PRO 8 HD1 PRO 8 7.117 -0.353 6.254 49 H DAL 9 HN DAL 9 9.925 1.124 1.684 50 HA DAL 9 HA DAL 9 12.168 1.440 1.046 51 HB1 DAL 9 HB2 DAL 9 12.948 2.366 3.778 52 HB2 DAL 9 HB3 DAL 9 12.720 0.638 3.502 53 H MET 10 HN MET 10 13.752 3.589 2.106 54 HA MET 10 HA MET 10 12.181 5.972 2.286 55 HB2 MET 10 HB2 MET 10 14.256 6.230 3.289 56 HB3 MET 10 HB1 MET 10 15.098 5.347 2.018 57 HG2 MET 10 HG2 MET 10 15.057 7.178 0.545 58 HG3 MET 10 HG1 MET 10 13.732 7.960 1.406 59 HE1 MET 10 HE1 MET 10 16.892 7.724 0.440 60 HE2 MET 10 HE2 MET 10 18.070 7.967 1.727 61 HE3 MET 10 HE3 MET 10 17.326 9.361 0.948 62 HA PRO 11 HA PRO 11 13.674 6.853 -2.224 63 HB2 PRO 11 HB2 PRO 11 14.824 4.710 -3.526 64 HB3 PRO 11 HB1 PRO 11 15.735 5.981 -2.695 65 HG2 PRO 11 HG2 PRO 11 14.995 3.256 -1.727 66 HG3 PRO 11 HG1 PRO 11 16.516 4.148 -1.537 67 HD2 PRO 11 HD2 PRO 11 14.730 3.972 0.474 68 HD3 PRO 11 HD1 PRO 11 15.685 5.452 0.211 69 HA PRO 12 HA PRO 12 9.731 4.797 -3.086 70 HB2 PRO 12 HB2 PRO 12 9.570 6.978 -5.089 71 HB3 PRO 12 HB1 PRO 12 8.434 6.543 -3.798 72 HG2 PRO 12 HG2 PRO 12 9.961 8.719 -3.628 73 HG3 PRO 12 HG1 PRO 12 9.580 7.735 -2.204 74 HD2 PRO 12 HD2 PRO 12 12.122 7.829 -3.798 75 HD3 PRO 12 HD1 PRO 12 11.899 7.683 -2.037 76 H DAL 13 HN DAL 13 10.574 2.920 -4.073 77 HA DAL 13 HA DAL 13 10.527 3.008 -7.002 78 HB1 DAL 13 HB2 DAL 13 10.863 0.370 -5.856 79 HB2 DAL 13 HB3 DAL 13 9.506 1.219 -5.115 80 H TYR 14 HN TYR 14 12.709 2.305 -4.357 81 HA TYR 14 HA TYR 14 15.027 2.635 -5.932 82 HB2 TYR 14 HB2 TYR 14 14.993 2.926 -3.496 83 HB3 TYR 14 HB1 TYR 14 14.702 1.203 -3.286 84 HD1 TYR 14 HD1 TYR 14 17.123 3.719 -4.530 85 HD2 TYR 14 HD2 TYR 14 16.476 -0.391 -3.475 86 HE1 TYR 14 HE1 TYR 14 19.564 3.308 -4.652 87 HE2 TYR 14 HE2 TYR 14 18.919 -0.809 -3.598 88 HH TYR 14 HH TYR 14 20.893 0.130 -4.609 89 H TRP 15 HN TRP 15 13.399 -0.262 -4.708 90 HA TRP 15 HA TRP 15 15.221 -2.049 -6.081 91 HB2 TRP 15 HB2 TRP 15 12.636 -3.058 -5.017 92 HB3 TRP 15 HB1 TRP 15 14.263 -3.714 -4.835 93 HD1 TRP 15 HD1 TRP 15 15.639 -3.011 -2.739 94 HE1 TRP 15 HE1 TRP 15 15.118 -1.575 -0.659 95 HE3 TRP 15 HE3 TRP 15 11.226 -0.907 -4.204 96 HZ2 TRP 15 HZ2 TRP 15 13.093 0.225 0.258 97 HZ3 TRP 15 HZ3 TRP 15 10.023 0.664 -2.712 98 HH2 TRP 15 HH2 TRP 15 10.949 1.231 -0.484 99 H GLU 16 HN GLU 16 12.786 -0.112 -7.092 100 HA GLU 16 HA GLU 16 11.272 -0.124 -8.829 101 HB2 GLU 16 HB2 GLU 16 12.197 -0.997 -10.940 102 HB3 GLU 16 HB1 GLU 16 13.398 -0.057 -10.052 103 HG2 GLU 16 HG2 GLU 16 14.397 -2.114 -9.176 104 HG3 GLU 16 HG1 GLU 16 13.168 -3.081 -9.991 105 H GLY 17 HN GLY 17 11.223 -2.424 -6.841 106 HA2 GLY 17 HA2 GLY 17 9.684 -4.319 -8.517 107 HA3 GLY 17 HA1 GLY 17 10.607 -4.813 -7.102 108 H GLU 18 HN GLU 18 9.949 -2.903 -5.259 109 HA GLU 18 HA GLU 18 7.412 -3.782 -4.348 110 HB2 GLU 18 HB2 GLU 18 9.192 -1.504 -3.465 111 HB3 GLU 18 HB1 GLU 18 7.716 -1.975 -2.621 112 HG2 GLU 18 HG2 GLU 18 8.601 -4.214 -2.239 113 HG3 GLU 18 HG1 GLU 18 10.042 -3.836 -3.180 114 H CYS 19 HN CYS 19 8.504 -0.849 -5.980 115 HA CYS 19 HA CYS 19 5.925 0.439 -5.796 116 HB2 CYS 19 HB2 CYS 19 7.055 2.022 -7.494 117 HB3 CYS 19 HB1 CYS 19 7.729 1.946 -5.866 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 22.403 5.293 0.864 2 H2 ALA 1 HT2 ALA 1 22.113 3.810 1.639 3 H3 ALA 1 HT3 ALA 1 21.056 5.118 1.879 4 HA ALA 1 HA ALA 1 20.351 5.039 -0.411 5 HB1 ALA 1 HB1 ALA 1 21.702 4.096 -1.940 6 HB2 ALA 1 HB2 ALA 1 21.448 2.521 -1.186 7 HB3 ALA 1 HB3 ALA 1 22.781 3.548 -0.657 8 H ALA 2 HN ALA 2 21.230 1.806 0.811 9 HA ALA 2 HA ALA 2 18.580 0.803 0.599 10 HB1 ALA 2 HB1 ALA 2 21.179 -0.172 1.620 11 HB2 ALA 2 HB2 ALA 2 19.993 -0.978 0.593 12 HB3 ALA 2 HB3 ALA 2 19.751 -0.915 2.339 13 H CYS 3 HN CYS 3 17.026 0.437 2.149 14 HA CYS 3 HA CYS 3 16.797 2.316 4.245 15 HB2 CYS 3 HB2 CYS 3 15.285 -0.264 3.758 16 HB3 CYS 3 HB1 CYS 3 14.807 0.987 4.908 17 H HIS 4 HN HIS 4 18.094 -0.916 4.090 18 HA HIS 4 HA HIS 4 19.404 -2.075 5.593 19 HB2 HIS 4 HB2 HIS 4 19.023 0.354 7.365 20 HB3 HIS 4 HB1 HIS 4 20.134 -0.977 7.676 21 HD2 HIS 4 HD2 HIS 4 20.081 2.331 5.731 22 HE1 HIS 4 HE1 HIS 4 23.440 0.186 4.338 23 HE2 HIS 4 HE2 HIS 4 22.276 2.444 4.322 24 H ASN 5 HN ASN 5 16.271 -1.496 5.730 25 HA ASN 5 HA ASN 5 15.821 -3.490 7.807 26 HB2 ASN 5 HB2 ASN 5 14.742 -0.676 7.943 27 HB3 ASN 5 HB1 ASN 5 13.976 -2.021 8.786 28 HD21 ASN 5 HD21 ASN 5 16.539 -3.400 9.376 29 HD22 ASN 5 HD22 ASN 5 17.304 -2.476 10.576 30 H HIS 6 HN HIS 6 13.352 -3.953 7.903 31 HA HIS 6 HA HIS 6 12.526 -4.679 5.277 32 HB2 HIS 6 HB2 HIS 6 10.572 -5.601 6.336 33 HB3 HIS 6 HB1 HIS 6 11.950 -5.918 7.391 34 HD2 HIS 6 HD2 HIS 6 12.081 -4.127 9.699 35 HE1 HIS 6 HE1 HIS 6 8.041 -2.943 9.378 36 HE2 HIS 6 HE2 HIS 6 10.090 -2.918 10.879 37 H ALA 7 HN ALA 7 11.067 -3.765 3.912 38 HA ALA 7 HA ALA 7 10.668 -1.108 3.674 39 HB1 ALA 7 HB1 ALA 7 9.681 -2.000 1.856 40 HB2 ALA 7 HB2 ALA 7 8.213 -2.058 2.831 41 HB3 ALA 7 HB3 ALA 7 9.252 -3.479 2.716 42 HA PRO 8 HA PRO 8 8.402 -0.121 2.694 43 HB2 PRO 8 HB2 PRO 8 8.026 2.541 3.281 44 HB3 PRO 8 HB1 PRO 8 6.707 1.364 3.128 45 HG2 PRO 8 HG2 PRO 8 8.019 2.428 5.581 46 HG3 PRO 8 HG1 PRO 8 6.307 2.090 5.271 47 HD2 PRO 8 HD2 PRO 8 7.869 0.399 6.715 48 HD3 PRO 8 HD1 PRO 8 6.537 -0.183 5.691 49 H DAL 9 HN DAL 9 9.989 0.790 1.453 50 HA DAL 9 HA DAL 9 12.303 1.044 1.104 51 HB1 DAL 9 HB2 DAL 9 12.523 2.155 3.904 52 HB2 DAL 9 HB3 DAL 9 12.693 0.437 3.537 53 H MET 10 HN MET 10 13.266 3.551 2.831 54 HA MET 10 HA MET 10 11.763 5.776 2.186 55 HB2 MET 10 HB2 MET 10 13.541 6.340 3.525 56 HB3 MET 10 HB1 MET 10 14.665 5.289 2.667 57 HG2 MET 10 HG2 MET 10 13.525 7.652 1.218 58 HG3 MET 10 HG1 MET 10 14.811 7.921 2.394 59 HE1 MET 10 HE1 MET 10 15.772 9.008 0.234 60 HE2 MET 10 HE2 MET 10 14.780 8.279 -1.027 61 HE3 MET 10 HE3 MET 10 16.533 8.124 -1.096 62 HA PRO 11 HA PRO 11 14.294 5.899 -2.043 63 HB2 PRO 11 HB2 PRO 11 14.438 2.958 -2.459 64 HB3 PRO 11 HB1 PRO 11 15.644 4.208 -2.816 65 HG2 PRO 11 HG2 PRO 11 15.916 2.529 -0.759 66 HG3 PRO 11 HG1 PRO 11 16.472 4.210 -0.682 67 HD2 PRO 11 HD2 PRO 11 14.072 2.961 0.585 68 HD3 PRO 11 HD1 PRO 11 15.087 4.301 1.160 69 HA PRO 12 HA PRO 12 9.966 5.211 -3.258 70 HB2 PRO 12 HB2 PRO 12 10.056 7.102 -5.276 71 HB3 PRO 12 HB1 PRO 12 9.669 7.450 -3.581 72 HG2 PRO 12 HG2 PRO 12 12.217 7.830 -5.056 73 HG3 PRO 12 HG1 PRO 12 11.484 8.825 -3.786 74 HD2 PRO 12 HD2 PRO 12 13.567 7.132 -3.301 75 HD3 PRO 12 HD1 PRO 12 12.335 7.513 -2.076 76 H DAL 13 HN DAL 13 10.388 3.112 -4.103 77 HA DAL 13 HA DAL 13 10.146 2.912 -6.925 78 HB1 DAL 13 HB2 DAL 13 10.967 0.432 -5.702 79 HB2 DAL 13 HB3 DAL 13 9.746 1.233 -4.712 80 H TYR 14 HN TYR 14 12.873 2.876 -4.774 81 HA TYR 14 HA TYR 14 14.749 3.125 -6.869 82 HB2 TYR 14 HB2 TYR 14 15.242 3.903 -4.606 83 HB3 TYR 14 HB1 TYR 14 15.155 2.249 -4.001 84 HD1 TYR 14 HD1 TYR 14 17.007 4.488 -6.323 85 HD2 TYR 14 HD2 TYR 14 17.011 0.780 -4.161 86 HE1 TYR 14 HE1 TYR 14 19.396 4.154 -6.904 87 HE2 TYR 14 HE2 TYR 14 19.400 0.441 -4.742 88 HH TYR 14 HH TYR 14 21.374 2.845 -5.858 89 H TRP 15 HN TRP 15 13.798 0.344 -4.887 90 HA TRP 15 HA TRP 15 15.581 -1.482 -6.186 91 HB2 TRP 15 HB2 TRP 15 13.061 -2.422 -4.880 92 HB3 TRP 15 HB1 TRP 15 14.689 -3.092 -4.788 93 HD1 TRP 15 HD1 TRP 15 16.274 -2.221 -2.917 94 HE1 TRP 15 HE1 TRP 15 15.956 -0.619 -0.922 95 HE3 TRP 15 HE3 TRP 15 11.738 -0.210 -4.116 96 HZ2 TRP 15 HZ2 TRP 15 14.029 1.265 0.036 97 HZ3 TRP 15 HZ3 TRP 15 10.686 1.485 -2.648 98 HH2 TRP 15 HH2 TRP 15 11.825 2.224 -0.574 99 H GLU 16 HN GLU 16 12.879 0.143 -7.198 100 HA GLU 16 HA GLU 16 11.288 -0.187 -8.836 101 HB2 GLU 16 HB2 GLU 16 13.276 0.217 -10.161 102 HB3 GLU 16 HB1 GLU 16 13.738 -1.477 -10.051 103 HG2 GLU 16 HG2 GLU 16 11.688 -2.122 -11.263 104 HG3 GLU 16 HG1 GLU 16 11.204 -0.429 -11.349 105 H GLY 17 HN GLY 17 10.266 -1.717 -7.236 106 HA2 GLY 17 HA2 GLY 17 9.196 -3.942 -8.535 107 HA3 GLY 17 HA1 GLY 17 10.503 -4.526 -7.508 108 H GLU 18 HN GLU 18 10.320 -2.877 -5.320 109 HA GLU 18 HA GLU 18 8.165 -4.031 -3.872 110 HB2 GLU 18 HB2 GLU 18 10.008 -1.727 -3.190 111 HB3 GLU 18 HB1 GLU 18 8.890 -2.483 -2.053 112 HG2 GLU 18 HG2 GLU 18 11.083 -3.948 -3.547 113 HG3 GLU 18 HG1 GLU 18 11.197 -3.407 -1.874 114 H CYS 19 HN CYS 19 8.720 -0.828 -5.262 115 HA CYS 19 HA CYS 19 6.462 0.476 -4.222 116 HB2 CYS 19 HB2 CYS 19 6.750 1.715 -6.602 117 HB3 CYS 19 HB1 CYS 19 7.806 2.027 -5.223 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 22.682 0.705 -0.778 2 H2 ALA 1 HT2 ALA 1 23.150 2.275 -1.230 3 H3 ALA 1 HT3 ALA 1 21.508 1.842 -1.229 4 HA ALA 1 HA ALA 1 22.777 1.428 1.311 5 HB1 ALA 1 HB1 ALA 1 23.126 3.969 -0.133 6 HB2 ALA 1 HB2 ALA 1 23.967 3.361 1.292 7 HB3 ALA 1 HB3 ALA 1 22.399 4.146 1.464 8 H ALA 2 HN ALA 2 20.497 0.387 0.484 9 HA ALA 2 HA ALA 2 18.177 1.993 0.626 10 HB1 ALA 2 HB1 ALA 2 18.179 -0.862 1.544 11 HB2 ALA 2 HB2 ALA 2 18.502 -0.490 -0.150 12 HB3 ALA 2 HB3 ALA 2 16.976 0.001 0.586 13 H CYS 3 HN CYS 3 16.738 2.384 2.315 14 HA CYS 3 HA CYS 3 17.358 3.353 4.653 15 HB2 CYS 3 HB2 CYS 3 15.206 1.242 4.402 16 HB3 CYS 3 HB1 CYS 3 15.317 2.451 5.682 17 H HIS 4 HN HIS 4 16.044 0.368 5.643 18 HA HIS 4 HA HIS 4 18.628 -0.472 6.790 19 HB2 HIS 4 HB2 HIS 4 17.082 0.685 8.435 20 HB3 HIS 4 HB1 HIS 4 15.976 -0.673 8.220 21 HD2 HIS 4 HD2 HIS 4 19.653 -1.784 8.171 22 HE1 HIS 4 HE1 HIS 4 18.233 -2.519 12.081 23 HE2 HIS 4 HE2 HIS 4 20.153 -2.933 10.470 24 H ASN 5 HN ASN 5 15.405 -1.391 5.677 25 HA ASN 5 HA ASN 5 16.442 -4.098 5.145 26 HB2 ASN 5 HB2 ASN 5 13.758 -3.498 6.414 27 HB3 ASN 5 HB1 ASN 5 14.342 -5.091 5.935 28 HD21 ASN 5 HD21 ASN 5 16.614 -5.643 6.980 29 HD22 ASN 5 HD22 ASN 5 16.794 -5.206 8.610 30 H HIS 6 HN HIS 6 13.760 -4.960 4.315 31 HA HIS 6 HA HIS 6 13.886 -4.199 1.584 32 HB2 HIS 6 HB2 HIS 6 11.810 -5.673 3.206 33 HB3 HIS 6 HB1 HIS 6 11.631 -5.380 1.475 34 HD2 HIS 6 HD2 HIS 6 13.211 -7.023 -0.166 35 HE1 HIS 6 HE1 HIS 6 15.249 -9.032 2.938 36 HE2 HIS 6 HE2 HIS 6 14.846 -8.969 0.431 37 H ALA 7 HN ALA 7 11.884 -3.155 4.298 38 HA ALA 7 HA ALA 7 11.417 -0.584 3.392 39 HB1 ALA 7 HB1 ALA 7 9.829 -2.553 1.968 40 HB2 ALA 7 HB2 ALA 7 9.993 -0.821 1.674 41 HB3 ALA 7 HB3 ALA 7 8.803 -1.409 2.835 42 HA PRO 8 HA PRO 8 9.081 0.429 3.183 43 HB2 PRO 8 HB2 PRO 8 8.271 2.654 4.530 44 HB3 PRO 8 HB1 PRO 8 7.201 1.291 4.160 45 HG2 PRO 8 HG2 PRO 8 8.472 2.056 6.710 46 HG3 PRO 8 HG1 PRO 8 6.944 1.216 6.409 47 HD2 PRO 8 HD2 PRO 8 9.335 -0.006 7.214 48 HD3 PRO 8 HD1 PRO 8 7.932 -0.837 6.515 49 H DAL 9 HN DAL 9 10.440 1.747 2.149 50 HA DAL 9 HA DAL 9 12.735 2.444 1.933 51 HB1 DAL 9 HB2 DAL 9 12.557 3.619 4.696 52 HB2 DAL 9 HB3 DAL 9 13.015 1.933 4.450 53 H MET 10 HN MET 10 13.660 4.855 2.314 54 HA MET 10 HA MET 10 11.627 6.895 2.327 55 HB2 MET 10 HB2 MET 10 13.665 7.616 3.236 56 HB3 MET 10 HB1 MET 10 14.611 6.868 1.952 57 HG2 MET 10 HG2 MET 10 12.637 8.963 1.161 58 HG3 MET 10 HG1 MET 10 14.108 9.498 1.973 59 HE1 MET 10 HE1 MET 10 16.456 9.823 0.562 60 HE2 MET 10 HE2 MET 10 16.969 8.267 -0.086 61 HE3 MET 10 HE3 MET 10 16.279 8.355 1.532 62 HA PRO 11 HA PRO 11 12.861 7.184 -2.328 63 HB2 PRO 11 HB2 PRO 11 14.266 5.080 -3.366 64 HB3 PRO 11 HB1 PRO 11 15.030 6.527 -2.690 65 HG2 PRO 11 HG2 PRO 11 14.625 3.853 -1.437 66 HG3 PRO 11 HG1 PRO 11 16.024 4.937 -1.359 67 HD2 PRO 11 HD2 PRO 11 14.214 4.736 0.663 68 HD3 PRO 11 HD1 PRO 11 15.091 6.240 0.308 69 HA PRO 12 HA PRO 12 9.333 4.400 -2.800 70 HB2 PRO 12 HB2 PRO 12 8.057 5.926 -4.675 71 HB3 PRO 12 HB1 PRO 12 7.993 6.258 -2.934 72 HG2 PRO 12 HG2 PRO 12 9.607 7.568 -5.054 73 HG3 PRO 12 HG1 PRO 12 8.838 8.268 -3.619 74 HD2 PRO 12 HD2 PRO 12 11.533 7.696 -3.792 75 HD3 PRO 12 HD1 PRO 12 10.633 7.785 -2.262 76 H DAL 13 HN DAL 13 10.571 2.715 -3.798 77 HA DAL 13 HA DAL 13 10.465 2.780 -6.758 78 HB1 DAL 13 HB2 DAL 13 10.672 0.149 -5.468 79 HB2 DAL 13 HB3 DAL 13 9.196 1.027 -5.070 80 H TYR 14 HN TYR 14 12.485 2.505 -4.023 81 HA TYR 14 HA TYR 14 14.875 2.561 -5.515 82 HB2 TYR 14 HB2 TYR 14 14.650 3.341 -3.175 83 HB3 TYR 14 HB1 TYR 14 14.477 1.672 -2.650 84 HD1 TYR 14 HD1 TYR 14 16.778 4.233 -3.877 85 HD2 TYR 14 HD2 TYR 14 16.364 0.086 -2.849 86 HE1 TYR 14 HE1 TYR 14 19.244 4.002 -3.828 87 HE2 TYR 14 HE2 TYR 14 18.831 -0.150 -2.801 88 HH TYR 14 HH TYR 14 20.924 2.467 -2.710 89 H TRP 15 HN TRP 15 13.217 -0.063 -3.826 90 HA TRP 15 HA TRP 15 15.161 -2.054 -4.564 91 HB2 TRP 15 HB2 TRP 15 12.423 -2.876 -3.754 92 HB3 TRP 15 HB1 TRP 15 13.987 -3.456 -3.186 93 HD1 TRP 15 HD1 TRP 15 15.006 -2.346 -1.066 94 HE1 TRP 15 HE1 TRP 15 14.180 -0.531 0.576 95 HE3 TRP 15 HE3 TRP 15 10.947 -0.613 -3.632 96 HZ2 TRP 15 HZ2 TRP 15 12.073 1.392 0.768 97 HZ3 TRP 15 HZ3 TRP 15 9.554 1.210 -2.701 98 HH2 TRP 15 HH2 TRP 15 10.109 2.214 -0.504 99 H GLU 16 HN GLU 16 12.940 -0.399 -6.312 100 HA GLU 16 HA GLU 16 11.689 -0.805 -8.210 101 HB2 GLU 16 HB2 GLU 16 12.965 -1.894 -9.981 102 HB3 GLU 16 HB1 GLU 16 14.021 -0.835 -9.045 103 HG2 GLU 16 HG2 GLU 16 14.811 -2.774 -7.740 104 HG3 GLU 16 HG1 GLU 16 13.758 -3.834 -8.675 105 H GLY 17 HN GLY 17 11.368 -2.714 -5.885 106 HA2 GLY 17 HA2 GLY 17 10.230 -4.986 -7.408 107 HA3 GLY 17 HA1 GLY 17 10.877 -5.136 -5.776 108 H GLU 18 HN GLU 18 9.810 -2.979 -4.493 109 HA GLU 18 HA GLU 18 7.164 -3.839 -3.933 110 HB2 GLU 18 HB2 GLU 18 8.654 -1.322 -3.160 111 HB3 GLU 18 HB1 GLU 18 7.076 -1.775 -2.517 112 HG2 GLU 18 HG2 GLU 18 9.568 -3.490 -2.329 113 HG3 GLU 18 HG1 GLU 18 8.948 -2.476 -1.027 114 H CYS 19 HN CYS 19 8.492 -1.174 -5.831 115 HA CYS 19 HA CYS 19 5.840 -0.132 -6.435 116 HB2 CYS 19 HB2 CYS 19 7.170 1.478 -7.868 117 HB3 CYS 19 HB1 CYS 19 7.546 1.519 -6.146 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 19.016 -1.864 -1.352 2 H2 ALA 1 HT2 ALA 1 19.278 -0.207 -1.076 3 H3 ALA 1 HT3 ALA 1 17.928 -0.720 -1.974 4 HA ALA 1 HA ALA 1 16.796 -0.553 -0.078 5 HB1 ALA 1 HB1 ALA 1 18.476 -3.025 0.405 6 HB2 ALA 1 HB2 ALA 1 16.841 -2.946 -0.252 7 HB3 ALA 1 HB3 ALA 1 17.129 -2.563 1.445 8 H ALA 2 HN ALA 2 18.038 1.468 0.420 9 HA ALA 2 HA ALA 2 20.213 1.499 2.224 10 HB1 ALA 2 HB1 ALA 2 18.393 3.435 1.031 11 HB2 ALA 2 HB2 ALA 2 20.083 3.623 1.499 12 HB3 ALA 2 HB3 ALA 2 18.806 3.846 2.697 13 H CYS 3 HN CYS 3 16.716 1.525 2.698 14 HA CYS 3 HA CYS 3 16.327 2.219 5.264 15 HB2 CYS 3 HB2 CYS 3 15.202 -0.455 4.634 16 HB3 CYS 3 HB1 CYS 3 14.396 0.997 5.225 17 H HIS 4 HN HIS 4 17.511 1.886 7.011 18 HA HIS 4 HA HIS 4 19.455 -0.070 7.372 19 HB2 HIS 4 HB2 HIS 4 18.824 0.415 9.927 20 HB3 HIS 4 HB1 HIS 4 19.693 1.589 8.938 21 HD2 HIS 4 HD2 HIS 4 18.108 3.823 8.076 22 HE1 HIS 4 HE1 HIS 4 14.773 2.891 10.490 23 HE2 HIS 4 HE2 HIS 4 15.817 4.665 9.004 24 H ASN 5 HN ASN 5 16.027 -0.099 8.268 25 HA ASN 5 HA ASN 5 16.279 -2.813 9.338 26 HB2 ASN 5 HB2 ASN 5 14.896 -1.092 10.511 27 HB3 ASN 5 HB1 ASN 5 13.816 -1.070 9.118 28 HD21 ASN 5 HD21 ASN 5 12.059 -1.924 10.509 29 HD22 ASN 5 HD22 ASN 5 12.042 -3.564 10.949 30 H HIS 6 HN HIS 6 16.177 -1.644 6.354 31 HA HIS 6 HA HIS 6 15.672 -2.589 4.320 32 HB2 HIS 6 HB2 HIS 6 14.731 -4.902 6.032 33 HB3 HIS 6 HB1 HIS 6 14.875 -4.941 4.274 34 HD2 HIS 6 HD2 HIS 6 17.088 -5.555 7.331 35 HE1 HIS 6 HE1 HIS 6 19.725 -5.009 4.080 36 HE2 HIS 6 HE2 HIS 6 19.554 -5.765 6.498 37 H ALA 7 HN ALA 7 13.621 -3.738 3.198 38 HA ALA 7 HA ALA 7 11.630 -2.062 2.789 39 HB1 ALA 7 HB1 ALA 7 10.909 -3.858 1.656 40 HB2 ALA 7 HB2 ALA 7 10.186 -4.446 3.155 41 HB3 ALA 7 HB3 ALA 7 11.819 -4.942 2.709 42 HA PRO 8 HA PRO 8 9.648 -1.301 2.616 43 HB2 PRO 8 HB2 PRO 8 8.900 1.185 3.528 44 HB3 PRO 8 HB1 PRO 8 7.804 -0.204 3.419 45 HG2 PRO 8 HG2 PRO 8 9.199 0.926 5.784 46 HG3 PRO 8 HG1 PRO 8 7.582 0.212 5.655 47 HD2 PRO 8 HD2 PRO 8 9.737 -1.128 6.699 48 HD3 PRO 8 HD1 PRO 8 8.368 -1.943 5.914 49 H DAL 9 HN DAL 9 10.139 1.348 2.070 50 HA DAL 9 HA DAL 9 12.639 1.620 1.243 51 HB1 DAL 9 HB2 DAL 9 13.502 3.054 3.430 52 HB2 DAL 9 HB3 DAL 9 12.707 1.670 4.177 53 H MET 10 HN MET 10 13.566 4.068 1.689 54 HA MET 10 HA MET 10 11.294 5.926 1.695 55 HB2 MET 10 HB2 MET 10 13.084 6.645 3.105 56 HB3 MET 10 HB1 MET 10 14.283 6.350 1.847 57 HG2 MET 10 HG2 MET 10 12.500 8.065 0.605 58 HG3 MET 10 HG1 MET 10 12.550 8.678 2.258 59 HE1 MET 10 HE1 MET 10 15.545 6.824 0.216 60 HE2 MET 10 HE2 MET 10 15.941 8.236 -0.761 61 HE3 MET 10 HE3 MET 10 14.310 7.573 -0.806 62 HA PRO 11 HA PRO 11 13.689 6.614 -2.565 63 HB2 PRO 11 HB2 PRO 11 14.331 3.749 -3.037 64 HB3 PRO 11 HB1 PRO 11 15.289 5.194 -3.405 65 HG2 PRO 11 HG2 PRO 11 15.920 3.574 -1.386 66 HG3 PRO 11 HG1 PRO 11 16.150 5.328 -1.285 67 HD2 PRO 11 HD2 PRO 11 14.041 3.628 -0.014 68 HD3 PRO 11 HD1 PRO 11 14.820 5.106 0.593 69 HA PRO 12 HA PRO 12 9.512 5.281 -3.715 70 HB2 PRO 12 HB2 PRO 12 9.848 7.380 -5.762 71 HB3 PRO 12 HB1 PRO 12 8.615 7.222 -4.498 72 HG2 PRO 12 HG2 PRO 12 10.555 9.072 -4.391 73 HG3 PRO 12 HG1 PRO 12 9.880 8.311 -2.940 74 HD2 PRO 12 HD2 PRO 12 12.495 7.774 -4.306 75 HD3 PRO 12 HD1 PRO 12 12.107 7.777 -2.569 76 H DAL 13 HN DAL 13 10.187 3.257 -4.590 77 HA DAL 13 HA DAL 13 9.993 3.138 -7.457 78 HB1 DAL 13 HB2 DAL 13 10.741 0.645 -6.165 79 HB2 DAL 13 HB3 DAL 13 9.385 1.429 -5.356 80 H TYR 14 HN TYR 14 12.608 3.211 -5.216 81 HA TYR 14 HA TYR 14 14.582 3.413 -7.199 82 HB2 TYR 14 HB2 TYR 14 14.965 4.191 -4.925 83 HB3 TYR 14 HB1 TYR 14 14.824 2.544 -4.312 84 HD1 TYR 14 HD1 TYR 14 16.825 4.690 -6.622 85 HD2 TYR 14 HD2 TYR 14 16.681 1.105 -4.262 86 HE1 TYR 14 HE1 TYR 14 19.240 4.312 -7.048 87 HE2 TYR 14 HE2 TYR 14 19.092 0.725 -4.687 88 HH TYR 14 HH TYR 14 20.787 2.181 -7.080 89 H TRP 15 HN TRP 15 13.591 0.647 -5.211 90 HA TRP 15 HA TRP 15 15.429 -1.210 -6.308 91 HB2 TRP 15 HB2 TRP 15 12.736 -2.050 -5.291 92 HB3 TRP 15 HB1 TRP 15 14.307 -2.817 -5.059 93 HD1 TRP 15 HD1 TRP 15 15.800 -1.997 -3.077 94 HE1 TRP 15 HE1 TRP 15 15.390 -0.395 -1.098 95 HE3 TRP 15 HE3 TRP 15 11.436 0.170 -4.591 96 HZ2 TRP 15 HZ2 TRP 15 13.461 1.552 -0.274 97 HZ3 TRP 15 HZ3 TRP 15 10.334 1.894 -3.195 98 HH2 TRP 15 HH2 TRP 15 11.340 2.588 -1.038 99 H GLU 16 HN GLU 16 12.215 -0.130 -7.239 100 HA GLU 16 HA GLU 16 11.235 -0.250 -9.344 101 HB2 GLU 16 HB2 GLU 16 12.477 -0.896 -11.128 102 HB3 GLU 16 HB1 GLU 16 13.799 -0.944 -9.963 103 HG2 GLU 16 HG2 GLU 16 13.031 -3.384 -9.514 104 HG3 GLU 16 HG1 GLU 16 12.153 -3.232 -11.033 105 H GLY 17 HN GLY 17 11.066 -2.117 -6.888 106 HA2 GLY 17 HA2 GLY 17 9.277 -4.080 -8.179 107 HA3 GLY 17 HA1 GLY 17 10.435 -4.607 -6.963 108 H GLU 18 HN GLU 18 10.212 -2.352 -5.226 109 HA GLU 18 HA GLU 18 7.991 -3.146 -3.652 110 HB2 GLU 18 HB2 GLU 18 9.779 -0.709 -3.514 111 HB3 GLU 18 HB1 GLU 18 8.566 -1.106 -2.297 112 HG2 GLU 18 HG2 GLU 18 9.663 -3.242 -1.849 113 HG3 GLU 18 HG1 GLU 18 10.835 -2.935 -3.130 114 H CYS 19 HN CYS 19 8.557 -0.375 -5.785 115 HA CYS 19 HA CYS 19 6.129 0.976 -5.230 116 HB2 CYS 19 HB2 CYS 19 6.649 1.803 -7.729 117 HB3 CYS 19 HB1 CYS 19 7.547 2.396 -6.332 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 21.745 0.289 1.785 2 H2 ALA 1 HT2 ALA 1 20.631 -0.695 2.609 3 H3 ALA 1 HT3 ALA 1 22.256 -1.177 2.472 4 HA ALA 1 HA ALA 1 21.751 -0.320 4.692 5 HB1 ALA 1 HB1 ALA 1 23.660 1.194 4.812 6 HB2 ALA 1 HB2 ALA 1 23.574 1.485 3.074 7 HB3 ALA 1 HB3 ALA 1 24.026 -0.108 3.678 8 H ALA 2 HN ALA 2 20.908 1.731 1.999 9 HA ALA 2 HA ALA 2 20.308 4.119 3.344 10 HB1 ALA 2 HB1 ALA 2 18.882 2.947 0.942 11 HB2 ALA 2 HB2 ALA 2 20.380 3.876 0.873 12 HB3 ALA 2 HB3 ALA 2 18.892 4.642 1.428 13 H CYS 3 HN CYS 3 18.224 1.331 2.593 14 HA CYS 3 HA CYS 3 15.989 2.422 4.049 15 HB2 CYS 3 HB2 CYS 3 16.555 -0.155 2.621 16 HB3 CYS 3 HB1 CYS 3 15.166 -0.040 3.702 17 H HIS 4 HN HIS 4 18.706 0.373 4.731 18 HA HIS 4 HA HIS 4 19.525 -0.439 6.718 19 HB2 HIS 4 HB2 HIS 4 17.192 1.085 7.900 20 HB3 HIS 4 HB1 HIS 4 18.451 0.290 8.844 21 HD2 HIS 4 HD2 HIS 4 17.873 3.648 7.086 22 HE1 HIS 4 HE1 HIS 4 22.019 3.416 7.843 23 HE2 HIS 4 HE2 HIS 4 20.134 4.954 7.118 24 H ASN 5 HN ASN 5 16.047 -0.456 7.464 25 HA ASN 5 HA ASN 5 16.216 -3.349 7.918 26 HB2 ASN 5 HB2 ASN 5 14.155 -1.262 8.636 27 HB3 ASN 5 HB1 ASN 5 13.893 -2.990 8.875 28 HD21 ASN 5 HD21 ASN 5 14.042 -1.107 11.075 29 HD22 ASN 5 HD22 ASN 5 15.425 -1.490 11.982 30 H HIS 6 HN HIS 6 15.873 -1.653 5.276 31 HA HIS 6 HA HIS 6 14.979 -2.120 3.207 32 HB2 HIS 6 HB2 HIS 6 13.856 -4.554 4.612 33 HB3 HIS 6 HB1 HIS 6 13.844 -4.287 2.868 34 HD2 HIS 6 HD2 HIS 6 16.240 -5.609 5.587 35 HE1 HIS 6 HE1 HIS 6 18.537 -5.133 2.076 36 HE2 HIS 6 HE2 HIS 6 18.529 -6.092 4.428 37 H ALA 7 HN ALA 7 12.526 -3.045 2.418 38 HA ALA 7 HA ALA 7 10.817 -0.959 2.569 39 HB1 ALA 7 HB1 ALA 7 9.476 -3.590 2.788 40 HB2 ALA 7 HB2 ALA 7 10.640 -3.412 1.475 41 HB3 ALA 7 HB3 ALA 7 9.269 -2.311 1.591 42 HA PRO 8 HA PRO 8 8.918 0.087 2.894 43 HB2 PRO 8 HB2 PRO 8 9.109 2.207 4.943 44 HB3 PRO 8 HB1 PRO 8 7.742 1.765 3.905 45 HG2 PRO 8 HG2 PRO 8 7.778 1.258 6.539 46 HG3 PRO 8 HG1 PRO 8 6.957 0.207 5.374 47 HD2 PRO 8 HD2 PRO 8 9.579 -0.209 6.765 48 HD3 PRO 8 HD1 PRO 8 8.339 -1.396 6.308 49 H DAL 9 HN DAL 9 10.279 1.045 1.554 50 HA DAL 9 HA DAL 9 12.474 1.427 0.772 51 HB1 DAL 9 HB2 DAL 9 13.460 2.397 3.404 52 HB2 DAL 9 HB3 DAL 9 13.157 0.666 3.248 53 H MET 10 HN MET 10 14.058 3.603 1.505 54 HA MET 10 HA MET 10 12.496 5.951 1.984 55 HB2 MET 10 HB2 MET 10 15.284 5.282 1.592 56 HB3 MET 10 HB1 MET 10 14.848 6.711 0.654 57 HG2 MET 10 HG2 MET 10 13.577 7.259 2.993 58 HG3 MET 10 HG1 MET 10 14.963 6.344 3.589 59 HE1 MET 10 HE1 MET 10 16.673 7.577 0.513 60 HE2 MET 10 HE2 MET 10 17.045 6.543 1.890 61 HE3 MET 10 HE3 MET 10 17.878 8.084 1.706 62 HA PRO 11 HA PRO 11 12.986 6.867 -2.709 63 HB2 PRO 11 HB2 PRO 11 14.123 4.885 -4.246 64 HB3 PRO 11 HB1 PRO 11 15.029 6.230 -3.532 65 HG2 PRO 11 HG2 PRO 11 14.755 3.422 -2.568 66 HG3 PRO 11 HG1 PRO 11 16.178 4.478 -2.585 67 HD2 PRO 11 HD2 PRO 11 14.739 4.037 -0.330 68 HD3 PRO 11 HD1 PRO 11 15.538 5.593 -0.652 69 HA PRO 12 HA PRO 12 9.223 4.362 -2.937 70 HB2 PRO 12 HB2 PRO 12 8.414 6.505 -4.806 71 HB3 PRO 12 HB1 PRO 12 7.632 5.952 -3.315 72 HG2 PRO 12 HG2 PRO 12 8.913 8.298 -3.459 73 HG3 PRO 12 HG1 PRO 12 8.901 7.316 -1.984 74 HD2 PRO 12 HD2 PRO 12 11.094 7.651 -4.003 75 HD3 PRO 12 HD1 PRO 12 11.200 7.496 -2.234 76 H DAL 13 HN DAL 13 10.179 2.634 -4.129 77 HA DAL 13 HA DAL 13 9.546 2.733 -6.992 78 HB1 DAL 13 HB2 DAL 13 10.407 0.147 -6.042 79 HB2 DAL 13 HB3 DAL 13 9.158 0.809 -4.987 80 H TYR 14 HN TYR 14 12.246 2.254 -4.812 81 HA TYR 14 HA TYR 14 14.177 2.931 -6.752 82 HB2 TYR 14 HB2 TYR 14 14.550 3.129 -4.332 83 HB3 TYR 14 HB1 TYR 14 14.525 1.376 -4.180 84 HD1 TYR 14 HD1 TYR 14 16.389 4.283 -5.431 85 HD2 TYR 14 HD2 TYR 14 16.361 0.011 -5.027 86 HE1 TYR 14 HE1 TYR 14 18.800 4.217 -6.012 87 HE2 TYR 14 HE2 TYR 14 18.773 -0.062 -5.610 88 HH TYR 14 HH TYR 14 20.731 2.713 -5.665 89 H TRP 15 HN TRP 15 13.178 -0.197 -5.417 90 HA TRP 15 HA TRP 15 14.894 -1.678 -7.229 91 HB2 TRP 15 HB2 TRP 15 12.749 -3.072 -5.723 92 HB3 TRP 15 HB1 TRP 15 14.453 -3.487 -5.900 93 HD1 TRP 15 HD1 TRP 15 16.112 -2.650 -4.078 94 HE1 TRP 15 HE1 TRP 15 15.828 -1.358 -1.862 95 HE3 TRP 15 HE3 TRP 15 11.250 -1.167 -4.538 96 HZ2 TRP 15 HZ2 TRP 15 13.802 0.109 -0.472 97 HZ3 TRP 15 HZ3 TRP 15 10.169 0.175 -2.758 98 HH2 TRP 15 HH2 TRP 15 11.438 0.814 -0.726 99 H GLU 16 HN GLU 16 12.123 -0.036 -7.662 100 HA GLU 16 HA GLU 16 10.277 -0.209 -9.033 101 HB2 GLU 16 HB2 GLU 16 10.810 -0.742 -11.312 102 HB3 GLU 16 HB1 GLU 16 12.216 0.063 -10.615 103 HG2 GLU 16 HG2 GLU 16 13.316 -2.079 -10.250 104 HG3 GLU 16 HG1 GLU 16 11.887 -2.944 -10.814 105 H GLY 17 HN GLY 17 10.793 -2.471 -7.144 106 HA2 GLY 17 HA2 GLY 17 9.196 -4.524 -8.562 107 HA3 GLY 17 HA1 GLY 17 10.454 -4.939 -7.402 108 H GLU 18 HN GLU 18 10.001 -3.151 -5.370 109 HA GLU 18 HA GLU 18 7.832 -4.348 -3.988 110 HB2 GLU 18 HB2 GLU 18 9.484 -1.889 -3.379 111 HB3 GLU 18 HB1 GLU 18 8.292 -2.569 -2.271 112 HG2 GLU 18 HG2 GLU 18 9.503 -4.695 -2.226 113 HG3 GLU 18 HG1 GLU 18 10.667 -4.079 -3.398 114 H CYS 19 HN CYS 19 8.232 -1.215 -5.593 115 HA CYS 19 HA CYS 19 5.667 -0.210 -4.812 116 HB2 CYS 19 HB2 CYS 19 6.170 1.398 -6.795 117 HB3 CYS 19 HB1 CYS 19 7.195 1.471 -5.361 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 22.190 -0.866 4.998 2 H2 ALA 1 HT2 ALA 1 20.975 -1.668 5.876 3 H3 ALA 1 HT3 ALA 1 20.856 0.002 5.584 4 HA ALA 1 HA ALA 1 21.025 -1.840 3.304 5 HB1 ALA 1 HB1 ALA 1 18.937 -1.836 5.316 6 HB2 ALA 1 HB2 ALA 1 19.113 -2.874 3.900 7 HB3 ALA 1 HB3 ALA 1 18.300 -1.317 3.755 8 H ALA 2 HN ALA 2 18.826 -0.747 2.013 9 HA ALA 2 HA ALA 2 19.885 1.677 1.004 10 HB1 ALA 2 HB1 ALA 2 17.149 0.421 0.701 11 HB2 ALA 2 HB2 ALA 2 18.511 0.280 -0.409 12 HB3 ALA 2 HB3 ALA 2 17.697 1.831 -0.206 13 H CYS 3 HN CYS 3 17.299 0.959 3.300 14 HA CYS 3 HA CYS 3 17.136 3.850 3.915 15 HB2 CYS 3 HB2 CYS 3 14.840 2.406 4.863 16 HB3 CYS 3 HB1 CYS 3 14.908 3.737 3.708 17 H HIS 4 HN HIS 4 18.842 1.592 4.998 18 HA HIS 4 HA HIS 4 19.740 1.076 7.052 19 HB2 HIS 4 HB2 HIS 4 17.775 3.042 8.235 20 HB3 HIS 4 HB1 HIS 4 19.314 2.512 8.911 21 HD2 HIS 4 HD2 HIS 4 20.021 3.130 5.283 22 HE1 HIS 4 HE1 HIS 4 20.662 6.872 7.127 23 HE2 HIS 4 HE2 HIS 4 21.013 5.529 5.002 24 H ASN 5 HN ASN 5 16.721 0.372 6.054 25 HA ASN 5 HA ASN 5 16.389 -1.676 8.081 26 HB2 ASN 5 HB2 ASN 5 15.224 0.482 8.894 27 HB3 ASN 5 HB1 ASN 5 14.052 0.164 7.616 28 HD21 ASN 5 HD21 ASN 5 15.711 -1.730 10.219 29 HD22 ASN 5 HD22 ASN 5 14.315 -2.583 10.673 30 H HIS 6 HN HIS 6 14.555 -3.145 7.533 31 HA HIS 6 HA HIS 6 14.632 -3.810 4.754 32 HB2 HIS 6 HB2 HIS 6 12.954 -4.907 7.021 33 HB3 HIS 6 HB1 HIS 6 13.019 -5.598 5.399 34 HD2 HIS 6 HD2 HIS 6 14.963 -5.837 8.683 35 HE1 HIS 6 HE1 HIS 6 17.512 -7.408 5.707 36 HE2 HIS 6 HE2 HIS 6 17.165 -7.161 8.209 37 H ALA 7 HN ALA 7 13.032 -3.685 3.209 38 HA ALA 7 HA ALA 7 11.541 -1.535 2.798 39 HB1 ALA 7 HB1 ALA 7 10.125 -2.760 1.336 40 HB2 ALA 7 HB2 ALA 7 10.300 -4.234 2.287 41 HB3 ALA 7 HB3 ALA 7 11.661 -3.625 1.345 42 HA PRO 8 HA PRO 8 9.330 -1.036 1.860 43 HB2 PRO 8 HB2 PRO 8 8.308 1.341 3.268 44 HB3 PRO 8 HB1 PRO 8 7.582 0.424 1.935 45 HG2 PRO 8 HG2 PRO 8 6.611 0.360 4.439 46 HG3 PRO 8 HG1 PRO 8 6.514 -1.022 3.335 47 HD2 PRO 8 HD2 PRO 8 8.364 -0.591 5.654 48 HD3 PRO 8 HD1 PRO 8 7.615 -2.091 5.068 49 H DAL 9 HN DAL 9 10.785 0.276 0.898 50 HA DAL 9 HA DAL 9 12.998 1.095 0.847 51 HB1 DAL 9 HB2 DAL 9 12.824 2.236 3.593 52 HB2 DAL 9 HB3 DAL 9 12.971 0.484 3.439 53 H MET 10 HN MET 10 13.722 3.559 2.134 54 HA MET 10 HA MET 10 11.747 5.557 1.874 55 HB2 MET 10 HB2 MET 10 13.620 6.245 3.078 56 HB3 MET 10 HB1 MET 10 14.749 5.553 1.912 57 HG2 MET 10 HG2 MET 10 13.906 7.275 0.243 58 HG3 MET 10 HG1 MET 10 13.063 8.045 1.587 59 HE1 MET 10 HE1 MET 10 16.013 6.836 -0.048 60 HE2 MET 10 HE2 MET 10 17.449 7.529 0.705 61 HE3 MET 10 HE3 MET 10 16.458 8.520 -0.363 62 HA PRO 11 HA PRO 11 13.800 6.078 -2.585 63 HB2 PRO 11 HB2 PRO 11 14.159 3.173 -3.108 64 HB3 PRO 11 HB1 PRO 11 15.189 4.539 -3.567 65 HG2 PRO 11 HG2 PRO 11 15.898 2.894 -1.597 66 HG3 PRO 11 HG1 PRO 11 16.223 4.634 -1.512 67 HD2 PRO 11 HD2 PRO 11 14.124 3.038 -0.104 68 HD3 PRO 11 HD1 PRO 11 15.054 4.442 0.470 69 HA PRO 12 HA PRO 12 9.438 5.084 -3.370 70 HB2 PRO 12 HB2 PRO 12 9.180 7.009 -5.334 71 HB3 PRO 12 HB1 PRO 12 8.987 7.313 -3.598 72 HG2 PRO 12 HG2 PRO 12 11.338 7.808 -5.357 73 HG3 PRO 12 HG1 PRO 12 10.678 8.800 -4.045 74 HD2 PRO 12 HD2 PRO 12 12.881 7.258 -3.698 75 HD3 PRO 12 HD1 PRO 12 11.714 7.532 -2.385 76 H DAL 13 HN DAL 13 9.918 3.020 -4.309 77 HA DAL 13 HA DAL 13 9.382 2.861 -7.096 78 HB1 DAL 13 HB2 DAL 13 10.508 0.419 -6.066 79 HB2 DAL 13 HB3 DAL 13 9.373 1.098 -4.901 80 H TYR 14 HN TYR 14 12.313 2.914 -5.236 81 HA TYR 14 HA TYR 14 13.964 3.409 -7.460 82 HB2 TYR 14 HB2 TYR 14 14.622 4.026 -5.207 83 HB3 TYR 14 HB1 TYR 14 14.660 2.337 -4.717 84 HD1 TYR 14 HD1 TYR 14 16.382 5.004 -6.513 85 HD2 TYR 14 HD2 TYR 14 16.380 0.804 -5.633 86 HE1 TYR 14 HE1 TYR 14 18.725 4.842 -7.301 87 HE2 TYR 14 HE2 TYR 14 18.726 0.635 -6.424 88 HH TYR 14 HH TYR 14 20.718 3.230 -6.824 89 H TRP 15 HN TRP 15 13.282 0.452 -5.656 90 HA TRP 15 HA TRP 15 15.025 -1.178 -7.285 91 HB2 TRP 15 HB2 TRP 15 12.873 -2.385 -5.603 92 HB3 TRP 15 HB1 TRP 15 14.555 -2.877 -5.798 93 HD1 TRP 15 HD1 TRP 15 16.297 -1.946 -4.115 94 HE1 TRP 15 HE1 TRP 15 16.156 -0.391 -2.060 95 HE3 TRP 15 HE3 TRP 15 11.510 -0.247 -4.623 96 HZ2 TRP 15 HZ2 TRP 15 14.257 1.342 -0.802 97 HZ3 TRP 15 HZ3 TRP 15 10.562 1.353 -2.987 98 HH2 TRP 15 HH2 TRP 15 11.929 2.150 -1.077 99 H GLU 16 HN GLU 16 12.141 0.274 -7.860 100 HA GLU 16 HA GLU 16 10.341 -0.117 -9.244 101 HB2 GLU 16 HB2 GLU 16 10.948 -0.971 -11.450 102 HB3 GLU 16 HB1 GLU 16 12.187 0.137 -10.868 103 HG2 GLU 16 HG2 GLU 16 13.593 -1.728 -10.174 104 HG3 GLU 16 HG1 GLU 16 12.334 -2.879 -10.619 105 H GLY 17 HN GLY 17 10.589 -1.977 -7.091 106 HA2 GLY 17 HA2 GLY 17 9.041 -4.181 -8.235 107 HA3 GLY 17 HA1 GLY 17 10.493 -4.607 -7.334 108 H GLU 18 HN GLU 18 10.423 -2.718 -5.304 109 HA GLU 18 HA GLU 18 8.638 -3.919 -3.465 110 HB2 GLU 18 HB2 GLU 18 10.487 -1.571 -3.418 111 HB3 GLU 18 HB1 GLU 18 9.299 -1.736 -2.125 112 HG2 GLU 18 HG2 GLU 18 11.233 -2.889 -1.350 113 HG3 GLU 18 HG1 GLU 18 10.120 -4.148 -1.881 114 H CYS 19 HN CYS 19 8.541 -0.854 -5.239 115 HA CYS 19 HA CYS 19 6.227 0.195 -4.005 116 HB2 CYS 19 HB2 CYS 19 6.105 1.361 -6.404 117 HB3 CYS 19 HB1 CYS 19 7.303 1.830 -5.198 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 24.295 3.206 2.169 2 H2 ALA 1 HT2 ALA 1 22.947 4.025 1.536 3 H3 ALA 1 HT3 ALA 1 23.005 2.327 1.504 4 HA ALA 1 HA ALA 1 22.930 2.243 3.911 5 HB1 ALA 1 HB1 ALA 1 22.707 4.242 5.218 6 HB2 ALA 1 HB2 ALA 1 22.508 5.237 3.776 7 HB3 ALA 1 HB3 ALA 1 24.072 4.506 4.133 8 H ALA 2 HN ALA 2 21.107 1.085 3.295 9 HA ALA 2 HA ALA 2 18.735 2.426 2.315 10 HB1 ALA 2 HB1 ALA 2 19.674 -0.122 2.065 11 HB2 ALA 2 HB2 ALA 2 17.997 0.349 1.785 12 HB3 ALA 2 HB3 ALA 2 18.476 -0.322 3.346 13 H CYS 3 HN CYS 3 16.658 2.299 3.410 14 HA CYS 3 HA CYS 3 16.970 2.745 6.289 15 HB2 CYS 3 HB2 CYS 3 15.151 4.122 6.173 16 HB3 CYS 3 HB1 CYS 3 15.610 4.200 4.473 17 H HIS 4 HN HIS 4 16.594 1.138 7.643 18 HA HIS 4 HA HIS 4 15.852 -0.859 8.510 19 HB2 HIS 4 HB2 HIS 4 13.366 0.021 7.025 20 HB3 HIS 4 HB1 HIS 4 13.414 -1.299 8.194 21 HD2 HIS 4 HD2 HIS 4 15.720 1.111 9.757 22 HE1 HIS 4 HE1 HIS 4 11.920 2.486 10.983 23 HE2 HIS 4 HE2 HIS 4 14.418 2.661 11.408 24 H ASN 5 HN ASN 5 16.738 -0.592 5.473 25 HA ASN 5 HA ASN 5 17.338 -2.165 3.897 26 HB2 ASN 5 HB2 ASN 5 16.769 -3.724 6.229 27 HB3 ASN 5 HB1 ASN 5 16.105 -4.553 4.821 28 HD21 ASN 5 HD21 ASN 5 17.641 -6.068 4.160 29 HD22 ASN 5 HD22 ASN 5 19.303 -5.758 4.010 30 H HIS 6 HN HIS 6 16.309 -3.657 2.289 31 HA HIS 6 HA HIS 6 14.689 -3.327 0.555 32 HB2 HIS 6 HB2 HIS 6 13.499 -5.124 2.679 33 HB3 HIS 6 HB1 HIS 6 12.985 -5.068 0.993 34 HD2 HIS 6 HD2 HIS 6 14.808 -6.252 -0.850 35 HE1 HIS 6 HE1 HIS 6 17.473 -7.731 2.071 36 HE2 HIS 6 HE2 HIS 6 16.868 -7.790 -0.395 37 H ALA 7 HN ALA 7 12.444 -3.744 3.241 38 HA ALA 7 HA ALA 7 11.337 -1.059 2.733 39 HB1 ALA 7 HB1 ALA 7 9.963 -3.698 2.468 40 HB2 ALA 7 HB2 ALA 7 9.771 -2.230 1.508 41 HB3 ALA 7 HB3 ALA 7 9.046 -2.337 3.112 42 HA PRO 8 HA PRO 8 9.798 0.214 3.532 43 HB2 PRO 8 HB2 PRO 8 10.276 2.417 5.093 44 HB3 PRO 8 HB1 PRO 8 8.823 1.410 5.237 45 HG2 PRO 8 HG2 PRO 8 11.268 1.454 6.922 46 HG3 PRO 8 HG1 PRO 8 9.575 1.213 7.386 47 HD2 PRO 8 HD2 PRO 8 11.390 -0.843 7.146 48 HD3 PRO 8 HD1 PRO 8 9.638 -1.045 6.942 49 H DAL 9 HN DAL 9 10.812 2.251 2.621 50 HA DAL 9 HA DAL 9 13.065 1.969 1.284 51 HB1 DAL 9 HB2 DAL 9 14.468 1.357 3.086 52 HB2 DAL 9 HB3 DAL 9 14.883 3.037 2.746 53 H MET 10 HN MET 10 14.563 4.225 1.445 54 HA MET 10 HA MET 10 12.899 6.555 1.848 55 HB2 MET 10 HB2 MET 10 15.117 7.037 2.315 56 HB3 MET 10 HB1 MET 10 15.722 6.046 0.989 57 HG2 MET 10 HG2 MET 10 15.188 7.680 -0.631 58 HG3 MET 10 HG1 MET 10 14.084 8.524 0.456 59 HE1 MET 10 HE1 MET 10 18.092 8.230 -0.516 60 HE2 MET 10 HE2 MET 10 17.811 9.953 -0.759 61 HE3 MET 10 HE3 MET 10 16.678 8.780 -1.427 62 HA PRO 11 HA PRO 11 13.238 6.913 -2.952 63 HB2 PRO 11 HB2 PRO 11 14.303 4.748 -4.267 64 HB3 PRO 11 HB1 PRO 11 15.246 6.157 -3.756 65 HG2 PRO 11 HG2 PRO 11 14.976 3.496 -2.437 66 HG3 PRO 11 HG1 PRO 11 16.412 4.512 -2.645 67 HD2 PRO 11 HD2 PRO 11 15.071 4.398 -0.294 68 HD3 PRO 11 HD1 PRO 11 15.863 5.889 -0.855 69 HA PRO 12 HA PRO 12 9.496 4.395 -2.827 70 HB2 PRO 12 HB2 PRO 12 8.076 5.968 -4.564 71 HB3 PRO 12 HB1 PRO 12 8.286 6.342 -2.843 72 HG2 PRO 12 HG2 PRO 12 9.695 7.462 -5.209 73 HG3 PRO 12 HG1 PRO 12 9.164 8.265 -3.722 74 HD2 PRO 12 HD2 PRO 12 11.764 7.514 -4.182 75 HD3 PRO 12 HD1 PRO 12 11.060 7.649 -2.556 76 H DAL 13 HN DAL 13 10.460 2.587 -3.933 77 HA DAL 13 HA DAL 13 9.767 2.512 -6.803 78 HB1 DAL 13 HB2 DAL 13 10.311 -0.085 -5.692 79 HB2 DAL 13 HB3 DAL 13 9.157 0.767 -4.667 80 H TYR 14 HN TYR 14 12.364 2.206 -4.547 81 HA TYR 14 HA TYR 14 14.375 2.350 -6.518 82 HB2 TYR 14 HB2 TYR 14 14.682 3.002 -4.153 83 HB3 TYR 14 HB1 TYR 14 14.574 1.313 -3.682 84 HD1 TYR 14 HD1 TYR 14 16.593 3.828 -5.470 85 HD2 TYR 14 HD2 TYR 14 16.383 -0.238 -4.105 86 HE1 TYR 14 HE1 TYR 14 19.009 3.550 -5.936 87 HE2 TYR 14 HE2 TYR 14 18.802 -0.521 -4.572 88 HH TYR 14 HH TYR 14 20.785 2.211 -5.697 89 H TRP 15 HN TRP 15 13.156 -0.382 -4.628 90 HA TRP 15 HA TRP 15 14.879 -2.301 -5.878 91 HB2 TRP 15 HB2 TRP 15 12.304 -3.158 -4.647 92 HB3 TRP 15 HB1 TRP 15 13.923 -3.829 -4.450 93 HD1 TRP 15 HD1 TRP 15 15.412 -2.905 -2.516 94 HE1 TRP 15 HE1 TRP 15 14.988 -1.248 -0.579 95 HE3 TRP 15 HE3 TRP 15 10.935 -0.942 -3.991 96 HZ2 TRP 15 HZ2 TRP 15 13.013 0.642 0.229 97 HZ3 TRP 15 HZ3 TRP 15 9.809 0.787 -2.622 98 HH2 TRP 15 HH2 TRP 15 10.839 1.579 -0.511 99 H GLU 16 HN GLU 16 12.480 -0.486 -7.099 100 HA GLU 16 HA GLU 16 10.813 -0.795 -8.699 101 HB2 GLU 16 HB2 GLU 16 12.814 -0.397 -9.992 102 HB3 GLU 16 HB1 GLU 16 13.282 -2.090 -9.871 103 HG2 GLU 16 HG2 GLU 16 11.262 -2.743 -11.130 104 HG3 GLU 16 HG1 GLU 16 10.775 -1.052 -11.231 105 H GLY 17 HN GLY 17 9.672 -2.300 -7.210 106 HA2 GLY 17 HA2 GLY 17 8.679 -4.530 -8.567 107 HA3 GLY 17 HA1 GLY 17 9.889 -5.108 -7.427 108 H GLU 18 HN GLU 18 9.553 -3.477 -5.270 109 HA GLU 18 HA GLU 18 7.251 -4.571 -4.015 110 HB2 GLU 18 HB2 GLU 18 9.101 -2.331 -3.163 111 HB3 GLU 18 HB1 GLU 18 7.857 -3.041 -2.134 112 HG2 GLU 18 HG2 GLU 18 10.131 -4.580 -3.418 113 HG3 GLU 18 HG1 GLU 18 10.088 -4.056 -1.735 114 H CYS 19 HN CYS 19 7.988 -1.395 -5.387 115 HA CYS 19 HA CYS 19 5.521 -0.191 -4.544 116 HB2 CYS 19 HB2 CYS 19 6.227 1.528 -6.350 117 HB3 CYS 19 HB1 CYS 19 7.248 1.351 -4.923 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 21.397 6.519 -0.175 2 H2 ALA 1 HT2 ALA 1 21.571 4.830 -0.109 3 H3 ALA 1 HT3 ALA 1 22.770 5.839 0.550 4 HA ALA 1 HA ALA 1 21.771 5.603 2.501 5 HB1 ALA 1 HB1 ALA 1 20.458 7.661 1.046 6 HB2 ALA 1 HB2 ALA 1 20.599 7.499 2.798 7 HB3 ALA 1 HB3 ALA 1 19.216 6.799 1.957 8 H ALA 2 HN ALA 2 21.598 3.238 1.501 9 HA ALA 2 HA ALA 2 19.018 2.212 0.910 10 HB1 ALA 2 HB1 ALA 2 20.486 0.107 1.999 11 HB2 ALA 2 HB2 ALA 2 21.705 1.168 1.293 12 HB3 ALA 2 HB3 ALA 2 20.392 0.545 0.293 13 H CYS 3 HN CYS 3 17.493 1.254 2.194 14 HA CYS 3 HA CYS 3 17.721 1.797 5.075 15 HB2 CYS 3 HB2 CYS 3 15.214 1.182 4.974 16 HB3 CYS 3 HB1 CYS 3 15.714 2.709 4.251 17 H HIS 4 HN HIS 4 18.347 0.182 6.345 18 HA HIS 4 HA HIS 4 18.571 -2.507 5.504 19 HB2 HIS 4 HB2 HIS 4 19.044 -2.976 7.889 20 HB3 HIS 4 HB1 HIS 4 19.959 -1.593 7.292 21 HD2 HIS 4 HD2 HIS 4 19.360 0.843 8.557 22 HE1 HIS 4 HE1 HIS 4 16.249 -0.602 11.014 23 HE2 HIS 4 HE2 HIS 4 17.723 1.403 10.512 24 H ASN 5 HN ASN 5 15.917 -0.702 6.756 25 HA ASN 5 HA ASN 5 14.430 -2.762 7.982 26 HB2 ASN 5 HB2 ASN 5 13.929 -0.324 8.171 27 HB3 ASN 5 HB1 ASN 5 13.356 -0.349 6.504 28 HD21 ASN 5 HD21 ASN 5 11.406 0.400 8.196 29 HD22 ASN 5 HD22 ASN 5 10.330 -0.869 8.536 30 H HIS 6 HN HIS 6 12.945 -4.214 7.204 31 HA HIS 6 HA HIS 6 13.240 -5.069 4.487 32 HB2 HIS 6 HB2 HIS 6 11.325 -5.945 6.661 33 HB3 HIS 6 HB1 HIS 6 11.492 -6.740 5.093 34 HD2 HIS 6 HD2 HIS 6 13.446 -6.437 8.472 35 HE1 HIS 6 HE1 HIS 6 15.622 -9.031 5.950 36 HE2 HIS 6 HE2 HIS 6 15.452 -8.102 8.307 37 H ALA 7 HN ALA 7 12.552 -2.692 3.895 38 HA ALA 7 HA ALA 7 11.047 -1.361 2.799 39 HB1 ALA 7 HB1 ALA 7 8.979 -2.697 1.890 40 HB2 ALA 7 HB2 ALA 7 9.903 -4.101 2.423 41 HB3 ALA 7 HB3 ALA 7 10.585 -3.001 1.225 42 HA PRO 8 HA PRO 8 9.153 -0.366 1.884 43 HB2 PRO 8 HB2 PRO 8 8.627 2.252 2.571 44 HB3 PRO 8 HB1 PRO 8 7.383 1.067 2.131 45 HG2 PRO 8 HG2 PRO 8 8.206 2.047 4.807 46 HG3 PRO 8 HG1 PRO 8 6.602 1.585 4.212 47 HD2 PRO 8 HD2 PRO 8 8.125 -0.042 5.824 48 HD3 PRO 8 HD1 PRO 8 6.932 -0.656 4.661 49 H DAL 9 HN DAL 9 10.781 0.838 0.932 50 HA DAL 9 HA DAL 9 13.112 1.192 0.867 51 HB1 DAL 9 HB2 DAL 9 13.247 2.054 3.713 52 HB2 DAL 9 HB3 DAL 9 13.003 0.337 3.393 53 H MET 10 HN MET 10 14.475 3.274 2.042 54 HA MET 10 HA MET 10 13.054 5.682 2.331 55 HB2 MET 10 HB2 MET 10 15.276 5.752 3.070 56 HB3 MET 10 HB1 MET 10 15.892 5.015 1.591 57 HG2 MET 10 HG2 MET 10 14.479 7.461 0.972 58 HG3 MET 10 HG1 MET 10 15.732 7.768 2.174 59 HE1 MET 10 HE1 MET 10 16.075 7.631 -2.128 60 HE2 MET 10 HE2 MET 10 16.069 9.013 -1.034 61 HE3 MET 10 HE3 MET 10 14.729 7.869 -1.003 62 HA PRO 11 HA PRO 11 13.871 6.536 -2.329 63 HB2 PRO 11 HB2 PRO 11 14.784 4.473 -3.864 64 HB3 PRO 11 HB1 PRO 11 15.855 5.607 -3.025 65 HG2 PRO 11 HG2 PRO 11 15.049 2.845 -2.236 66 HG3 PRO 11 HG1 PRO 11 16.629 3.638 -2.119 67 HD2 PRO 11 HD2 PRO 11 14.944 3.358 0.025 68 HD3 PRO 11 HD1 PRO 11 16.087 4.711 -0.143 69 HA PRO 12 HA PRO 12 9.809 4.684 -2.852 70 HB2 PRO 12 HB2 PRO 12 8.985 6.472 -4.780 71 HB3 PRO 12 HB1 PRO 12 8.937 6.792 -3.037 72 HG2 PRO 12 HG2 PRO 12 10.933 7.660 -5.067 73 HG3 PRO 12 HG1 PRO 12 10.259 8.550 -3.690 74 HD2 PRO 12 HD2 PRO 12 12.737 7.436 -3.608 75 HD3 PRO 12 HD1 PRO 12 11.710 7.566 -2.162 76 H DAL 13 HN DAL 13 10.521 2.722 -3.827 77 HA DAL 13 HA DAL 13 10.032 2.632 -6.700 78 HB1 DAL 13 HB2 DAL 13 10.716 0.078 -5.565 79 HB2 DAL 13 HB3 DAL 13 9.543 0.894 -4.533 80 H TYR 14 HN TYR 14 12.699 2.080 -4.482 81 HA TYR 14 HA TYR 14 14.678 2.470 -6.449 82 HB2 TYR 14 HB2 TYR 14 15.084 2.740 -4.045 83 HB3 TYR 14 HB1 TYR 14 14.876 1.010 -3.806 84 HD1 TYR 14 HD1 TYR 14 17.020 3.633 -5.249 85 HD2 TYR 14 HD2 TYR 14 16.572 -0.573 -4.521 86 HE1 TYR 14 HE1 TYR 14 19.407 3.282 -5.817 87 HE2 TYR 14 HE2 TYR 14 18.960 -0.928 -5.091 88 HH TYR 14 HH TYR 14 20.808 0.014 -5.929 89 H TRP 15 HN TRP 15 13.387 -0.481 -4.980 90 HA TRP 15 HA TRP 15 14.981 -2.219 -6.648 91 HB2 TRP 15 HB2 TRP 15 12.577 -3.248 -5.219 92 HB3 TRP 15 HB1 TRP 15 14.202 -3.927 -5.322 93 HD1 TRP 15 HD1 TRP 15 15.922 -3.278 -3.475 94 HE1 TRP 15 HE1 TRP 15 15.767 -1.892 -1.302 95 HE3 TRP 15 HE3 TRP 15 11.341 -1.121 -4.127 96 HZ2 TRP 15 HZ2 TRP 15 13.937 -0.108 -0.016 97 HZ3 TRP 15 HZ3 TRP 15 10.417 0.415 -2.417 98 HH2 TRP 15 HH2 TRP 15 11.709 0.924 -0.362 99 H GLU 16 HN GLU 16 12.409 -0.300 -7.276 100 HA GLU 16 HA GLU 16 10.655 -0.316 -8.774 101 HB2 GLU 16 HB2 GLU 16 11.285 -1.072 -11.012 102 HB3 GLU 16 HB1 GLU 16 12.619 -0.196 -10.265 103 HG2 GLU 16 HG2 GLU 16 13.688 -2.309 -9.634 104 HG3 GLU 16 HG1 GLU 16 12.335 -3.214 -10.316 105 H GLY 17 HN GLY 17 10.888 -2.625 -6.840 106 HA2 GLY 17 HA2 GLY 17 9.145 -4.506 -8.319 107 HA3 GLY 17 HA1 GLY 17 10.314 -5.044 -7.117 108 H GLU 18 HN GLU 18 9.551 -2.428 -5.632 109 HA GLU 18 HA GLU 18 7.146 -3.553 -4.325 110 HB2 GLU 18 HB2 GLU 18 9.390 -1.877 -3.173 111 HB3 GLU 18 HB1 GLU 18 7.941 -2.358 -2.290 112 HG2 GLU 18 HG2 GLU 18 9.912 -4.276 -3.567 113 HG3 GLU 18 HG1 GLU 18 9.856 -3.882 -1.850 114 H CYS 19 HN CYS 19 8.628 -0.372 -3.935 115 HA CYS 19 HA CYS 19 7.551 1.688 -3.834 116 HB2 CYS 19 HB2 CYS 19 6.432 1.366 -6.518 117 HB3 CYS 19 HB1 CYS 19 7.651 2.498 -5.932 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 24.440 -0.287 1.947 2 H2 ALA 1 HT2 ALA 1 23.142 0.062 0.909 3 H3 ALA 1 HT3 ALA 1 22.898 -0.906 2.283 4 HA ALA 1 HA ALA 1 23.128 0.875 3.752 5 HB1 ALA 1 HB1 ALA 1 24.534 2.592 3.347 6 HB2 ALA 1 HB2 ALA 1 23.703 3.001 1.845 7 HB3 ALA 1 HB3 ALA 1 24.968 1.772 1.847 8 H ALA 2 HN ALA 2 20.989 -0.231 2.396 9 HA ALA 2 HA ALA 2 19.419 1.767 1.056 10 HB1 ALA 2 HB1 ALA 2 17.732 -0.273 2.054 11 HB2 ALA 2 HB2 ALA 2 19.242 -1.050 1.580 12 HB3 ALA 2 HB3 ALA 2 18.343 -0.085 0.410 13 H CYS 3 HN CYS 3 17.388 2.617 1.832 14 HA CYS 3 HA CYS 3 17.494 3.999 4.204 15 HB2 CYS 3 HB2 CYS 3 14.887 3.904 4.024 16 HB3 CYS 3 HB1 CYS 3 15.810 4.699 2.749 17 H HIS 4 HN HIS 4 15.394 1.147 3.735 18 HA HIS 4 HA HIS 4 15.863 0.456 6.570 19 HB2 HIS 4 HB2 HIS 4 13.317 0.283 4.948 20 HB3 HIS 4 HB1 HIS 4 13.531 -0.517 6.505 21 HD2 HIS 4 HD2 HIS 4 15.383 2.500 7.275 22 HE1 HIS 4 HE1 HIS 4 11.390 3.805 7.688 23 HE2 HIS 4 HE2 HIS 4 13.811 4.360 8.216 24 H ASN 5 HN ASN 5 15.900 -1.768 7.082 25 HA ASN 5 HA ASN 5 17.227 -3.411 5.214 26 HB2 ASN 5 HB2 ASN 5 15.885 -3.944 7.855 27 HB3 ASN 5 HB1 ASN 5 16.628 -5.243 6.922 28 HD21 ASN 5 HD21 ASN 5 17.655 -4.471 9.487 29 HD22 ASN 5 HD22 ASN 5 19.188 -3.779 9.259 30 H HIS 6 HN HIS 6 13.846 -3.291 6.272 31 HA HIS 6 HA HIS 6 13.148 -4.968 3.942 32 HB2 HIS 6 HB2 HIS 6 12.238 -5.231 6.796 33 HB3 HIS 6 HB1 HIS 6 11.225 -5.800 5.467 34 HD2 HIS 6 HD2 HIS 6 14.452 -6.573 3.998 35 HE1 HIS 6 HE1 HIS 6 13.920 -9.793 6.675 36 HE2 HIS 6 HE2 HIS 6 15.252 -8.962 4.680 37 H ALA 7 HN ALA 7 13.146 -2.012 4.537 38 HA ALA 7 HA ALA 7 11.841 -0.241 3.871 39 HB1 ALA 7 HB1 ALA 7 9.388 -1.706 3.267 40 HB2 ALA 7 HB2 ALA 7 10.797 -2.368 2.437 41 HB3 ALA 7 HB3 ALA 7 10.366 -0.672 2.224 42 HA PRO 8 HA PRO 8 9.081 0.421 3.178 43 HB2 PRO 8 HB2 PRO 8 8.863 3.012 4.598 44 HB3 PRO 8 HB1 PRO 8 7.693 2.203 3.538 45 HG2 PRO 8 HG2 PRO 8 7.367 2.358 6.197 46 HG3 PRO 8 HG1 PRO 8 6.793 0.983 5.240 47 HD2 PRO 8 HD2 PRO 8 9.159 1.154 7.056 48 HD3 PRO 8 HD1 PRO 8 8.113 -0.232 6.682 49 H DAL 9 HN DAL 9 10.333 1.427 1.704 50 HA DAL 9 HA DAL 9 12.512 1.867 0.920 51 HB1 DAL 9 HB2 DAL 9 13.196 3.040 3.610 52 HB2 DAL 9 HB3 DAL 9 13.345 1.314 3.282 53 H MET 10 HN MET 10 13.676 4.405 2.343 54 HA MET 10 HA MET 10 12.071 6.592 2.231 55 HB2 MET 10 HB2 MET 10 14.912 6.078 1.722 56 HB3 MET 10 HB1 MET 10 14.299 7.510 0.892 57 HG2 MET 10 HG2 MET 10 13.586 8.518 2.918 58 HG3 MET 10 HG1 MET 10 13.715 7.002 3.811 59 HE1 MET 10 HE1 MET 10 17.379 8.997 1.895 60 HE2 MET 10 HE2 MET 10 15.702 9.290 1.446 61 HE3 MET 10 HE3 MET 10 16.421 7.708 1.153 62 HA PRO 11 HA PRO 11 12.372 7.128 -2.506 63 HB2 PRO 11 HB2 PRO 11 13.825 5.334 -3.953 64 HB3 PRO 11 HB1 PRO 11 14.532 6.787 -3.225 65 HG2 PRO 11 HG2 PRO 11 14.594 3.969 -2.248 66 HG3 PRO 11 HG1 PRO 11 15.874 5.194 -2.245 67 HD2 PRO 11 HD2 PRO 11 14.405 4.582 -0.023 68 HD3 PRO 11 HD1 PRO 11 15.096 6.194 -0.310 69 HA PRO 12 HA PRO 12 9.133 3.976 -2.637 70 HB2 PRO 12 HB2 PRO 12 7.453 5.432 -4.245 71 HB3 PRO 12 HB1 PRO 12 7.583 5.657 -2.491 72 HG2 PRO 12 HG2 PRO 12 8.776 7.251 -4.698 73 HG3 PRO 12 HG1 PRO 12 8.099 7.789 -3.151 74 HD2 PRO 12 HD2 PRO 12 10.793 7.584 -3.611 75 HD3 PRO 12 HD1 PRO 12 10.064 7.397 -2.001 76 H DAL 13 HN DAL 13 10.406 2.484 -3.894 77 HA DAL 13 HA DAL 13 9.743 2.582 -6.771 78 HB1 DAL 13 HB2 DAL 13 10.705 0.030 -5.703 79 HB2 DAL 13 HB3 DAL 13 9.226 0.606 -4.932 80 H TYR 14 HN TYR 14 12.348 2.617 -4.539 81 HA TYR 14 HA TYR 14 14.292 3.227 -6.457 82 HB2 TYR 14 HB2 TYR 14 14.519 3.685 -4.042 83 HB3 TYR 14 HB1 TYR 14 14.686 1.961 -3.736 84 HD1 TYR 14 HD1 TYR 14 16.297 4.973 -5.029 85 HD2 TYR 14 HD2 TYR 14 16.666 0.725 -4.540 86 HE1 TYR 14 HE1 TYR 14 18.719 5.132 -5.521 87 HE2 TYR 14 HE2 TYR 14 19.091 0.876 -5.033 88 HH TYR 14 HH TYR 14 20.557 2.770 -6.476 89 H TRP 15 HN TRP 15 13.601 0.165 -4.807 90 HA TRP 15 HA TRP 15 15.581 -1.354 -6.158 91 HB2 TRP 15 HB2 TRP 15 13.062 -2.620 -5.160 92 HB3 TRP 15 HB1 TRP 15 14.732 -3.169 -5.008 93 HD1 TRP 15 HD1 TRP 15 16.161 -2.253 -3.001 94 HE1 TRP 15 HE1 TRP 15 15.556 -0.910 -0.881 95 HE3 TRP 15 HE3 TRP 15 11.438 -0.752 -4.226 96 HZ2 TRP 15 HZ2 TRP 15 13.358 0.595 0.151 97 HZ3 TRP 15 HZ3 TRP 15 10.113 0.637 -2.659 98 HH2 TRP 15 HH2 TRP 15 11.066 1.311 -0.472 99 H GLU 16 HN GLU 16 12.258 -0.487 -6.853 100 HA GLU 16 HA GLU 16 11.177 -0.495 -8.906 101 HB2 GLU 16 HB2 GLU 16 12.394 -0.791 -10.789 102 HB3 GLU 16 HB1 GLU 16 13.774 -0.935 -9.703 103 HG2 GLU 16 HG2 GLU 16 13.365 -3.408 -9.599 104 HG3 GLU 16 HG1 GLU 16 12.094 -3.208 -10.801 105 H GLY 17 HN GLY 17 11.695 -2.838 -6.747 106 HA2 GLY 17 HA2 GLY 17 9.991 -4.811 -8.150 107 HA3 GLY 17 HA1 GLY 17 11.159 -5.235 -6.904 108 H GLU 18 HN GLU 18 10.568 -3.124 -5.082 109 HA GLU 18 HA GLU 18 8.405 -4.275 -3.657 110 HB2 GLU 18 HB2 GLU 18 9.826 -1.626 -3.315 111 HB3 GLU 18 HB1 GLU 18 8.656 -2.280 -2.168 112 HG2 GLU 18 HG2 GLU 18 11.202 -3.682 -3.029 113 HG3 GLU 18 HG1 GLU 18 11.003 -2.796 -1.519 114 H CYS 19 HN CYS 19 8.689 -1.421 -5.721 115 HA CYS 19 HA CYS 19 5.989 -0.539 -5.217 116 HB2 CYS 19 HB2 CYS 19 6.601 0.861 -7.373 117 HB3 CYS 19 HB1 CYS 19 7.325 1.251 -5.812 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 20.454 -1.767 4.107 2 H2 ALA 1 HT2 ALA 1 19.526 -0.550 3.369 3 H3 ALA 1 HT3 ALA 1 19.783 -0.527 5.048 4 HA ALA 1 HA ALA 1 21.969 0.144 4.864 5 HB1 ALA 1 HB1 ALA 1 21.961 -1.612 2.687 6 HB2 ALA 1 HB2 ALA 1 23.342 -0.689 3.278 7 HB3 ALA 1 HB3 ALA 1 22.337 -0.041 1.980 8 H ALA 2 HN ALA 2 19.966 0.664 1.951 9 HA ALA 2 HA ALA 2 20.686 3.347 1.526 10 HB1 ALA 2 HB1 ALA 2 19.021 3.382 -0.081 11 HB2 ALA 2 HB2 ALA 2 17.920 2.402 0.889 12 HB3 ALA 2 HB3 ALA 2 19.288 1.645 0.070 13 H CYS 3 HN CYS 3 17.996 1.927 3.358 14 HA CYS 3 HA CYS 3 17.723 4.493 4.791 15 HB2 CYS 3 HB2 CYS 3 15.176 3.675 4.855 16 HB3 CYS 3 HB1 CYS 3 15.796 4.701 3.562 17 H HIS 4 HN HIS 4 15.671 1.676 5.137 18 HA HIS 4 HA HIS 4 17.140 0.759 7.494 19 HB2 HIS 4 HB2 HIS 4 14.212 1.396 7.780 20 HB3 HIS 4 HB1 HIS 4 15.408 1.096 9.043 21 HD2 HIS 4 HD2 HIS 4 14.371 4.020 6.601 22 HE1 HIS 4 HE1 HIS 4 17.039 5.567 9.484 23 HE2 HIS 4 HE2 HIS 4 15.499 6.173 7.559 24 H ASN 5 HN ASN 5 17.390 -1.328 6.933 25 HA ASN 5 HA ASN 5 16.882 -3.497 6.371 26 HB2 ASN 5 HB2 ASN 5 14.432 -2.453 7.675 27 HB3 ASN 5 HB1 ASN 5 14.243 -3.930 6.729 28 HD21 ASN 5 HD21 ASN 5 15.981 -5.687 7.247 29 HD22 ASN 5 HD22 ASN 5 16.441 -5.840 8.874 30 H HIS 6 HN HIS 6 14.718 -4.679 5.162 31 HA HIS 6 HA HIS 6 14.871 -3.514 2.481 32 HB2 HIS 6 HB2 HIS 6 13.941 -6.188 3.533 33 HB3 HIS 6 HB1 HIS 6 13.709 -5.697 1.854 34 HD2 HIS 6 HD2 HIS 6 16.957 -4.143 2.464 35 HE1 HIS 6 HE1 HIS 6 17.999 -8.162 1.697 36 HE2 HIS 6 HE2 HIS 6 18.895 -5.792 1.874 37 H ALA 7 HN ALA 7 13.452 -1.817 2.446 38 HA ALA 7 HA ALA 7 11.443 -0.721 2.319 39 HB1 ALA 7 HB1 ALA 7 10.860 -3.506 1.499 40 HB2 ALA 7 HB2 ALA 7 10.548 -1.990 0.655 41 HB3 ALA 7 HB3 ALA 7 9.465 -2.523 1.942 42 HA PRO 8 HA PRO 8 9.566 0.196 2.489 43 HB2 PRO 8 HB2 PRO 8 8.946 2.344 4.087 44 HB3 PRO 8 HB1 PRO 8 7.784 1.086 3.627 45 HG2 PRO 8 HG2 PRO 8 9.208 1.501 6.180 46 HG3 PRO 8 HG1 PRO 8 7.613 0.799 5.872 47 HD2 PRO 8 HD2 PRO 8 9.911 -0.666 6.453 48 HD3 PRO 8 HD1 PRO 8 8.456 -1.317 5.673 49 H DAL 9 HN DAL 9 11.159 1.181 1.469 50 HA DAL 9 HA DAL 9 13.402 1.869 1.222 51 HB1 DAL 9 HB2 DAL 9 13.465 2.959 4.011 52 HB2 DAL 9 HB3 DAL 9 13.642 1.222 3.756 53 H MET 10 HN MET 10 14.518 4.177 1.734 54 HA MET 10 HA MET 10 12.777 6.401 2.054 55 HB2 MET 10 HB2 MET 10 15.604 5.967 1.271 56 HB3 MET 10 HB1 MET 10 14.864 7.473 0.725 57 HG2 MET 10 HG2 MET 10 14.035 7.726 3.159 58 HG3 MET 10 HG1 MET 10 15.217 6.477 3.552 59 HE1 MET 10 HE1 MET 10 17.272 6.572 1.843 60 HE2 MET 10 HE2 MET 10 18.427 7.895 1.978 61 HE3 MET 10 HE3 MET 10 17.200 7.932 0.714 62 HA PRO 11 HA PRO 11 12.973 6.964 -2.718 63 HB2 PRO 11 HB2 PRO 11 14.159 4.950 -4.158 64 HB3 PRO 11 HB1 PRO 11 15.011 6.396 -3.595 65 HG2 PRO 11 HG2 PRO 11 14.961 3.660 -2.406 66 HG3 PRO 11 HG1 PRO 11 16.316 4.787 -2.589 67 HD2 PRO 11 HD2 PRO 11 15.034 4.456 -0.226 68 HD3 PRO 11 HD1 PRO 11 15.712 6.025 -0.719 69 HA PRO 12 HA PRO 12 9.432 4.119 -2.481 70 HB2 PRO 12 HB2 PRO 12 8.209 6.193 -4.194 71 HB3 PRO 12 HB1 PRO 12 7.671 5.563 -2.626 72 HG2 PRO 12 HG2 PRO 12 8.695 8.015 -2.869 73 HG3 PRO 12 HG1 PRO 12 8.990 7.015 -1.436 74 HD2 PRO 12 HD2 PRO 12 10.823 7.560 -3.758 75 HD3 PRO 12 HD1 PRO 12 11.201 7.464 -2.018 76 H DAL 13 HN DAL 13 10.361 2.495 -3.809 77 HA DAL 13 HA DAL 13 9.653 2.743 -6.669 78 HB1 DAL 13 HB2 DAL 13 10.117 0.026 -5.834 79 HB2 DAL 13 HB3 DAL 13 8.951 0.791 -4.760 80 H TYR 14 HN TYR 14 12.223 2.356 -4.462 81 HA TYR 14 HA TYR 14 14.219 2.518 -6.451 82 HB2 TYR 14 HB2 TYR 14 14.549 3.210 -4.107 83 HB3 TYR 14 HB1 TYR 14 14.451 1.530 -3.597 84 HD1 TYR 14 HD1 TYR 14 16.511 4.096 -5.164 85 HD2 TYR 14 HD2 TYR 14 16.197 -0.097 -4.297 86 HE1 TYR 14 HE1 TYR 14 18.923 3.818 -5.647 87 HE2 TYR 14 HE2 TYR 14 18.611 -0.380 -4.784 88 HH TYR 14 HH TYR 14 20.361 0.865 -6.191 89 H TRP 15 HN TRP 15 13.103 -0.204 -4.482 90 HA TRP 15 HA TRP 15 14.827 -2.156 -5.563 91 HB2 TRP 15 HB2 TRP 15 12.080 -2.925 -4.681 92 HB3 TRP 15 HB1 TRP 15 13.632 -3.669 -4.300 93 HD1 TRP 15 HD1 TRP 15 14.917 -2.823 -2.193 94 HE1 TRP 15 HE1 TRP 15 14.341 -1.158 -0.307 95 HE3 TRP 15 HE3 TRP 15 10.746 -0.650 -4.179 96 HZ2 TRP 15 HZ2 TRP 15 12.368 0.831 0.276 97 HZ3 TRP 15 HZ3 TRP 15 9.542 1.126 -2.941 98 HH2 TRP 15 HH2 TRP 15 10.346 1.866 -0.717 99 H GLU 16 HN GLU 16 12.435 -0.391 -7.040 100 HA GLU 16 HA GLU 16 11.081 -0.692 -8.891 101 HB2 GLU 16 HB2 GLU 16 13.300 -0.411 -9.891 102 HB3 GLU 16 HB1 GLU 16 13.596 -2.139 -9.751 103 HG2 GLU 16 HG2 GLU 16 11.687 -2.594 -11.248 104 HG3 GLU 16 HG1 GLU 16 11.364 -0.868 -11.367 105 H GLY 17 HN GLY 17 9.917 -2.267 -7.282 106 HA2 GLY 17 HA2 GLY 17 8.908 -4.421 -8.781 107 HA3 GLY 17 HA1 GLY 17 10.079 -5.052 -7.627 108 H GLU 18 HN GLU 18 9.676 -3.419 -5.452 109 HA GLU 18 HA GLU 18 7.413 -4.588 -4.225 110 HB2 GLU 18 HB2 GLU 18 9.128 -2.229 -3.420 111 HB3 GLU 18 HB1 GLU 18 7.886 -2.939 -2.388 112 HG2 GLU 18 HG2 GLU 18 10.221 -4.472 -3.563 113 HG3 GLU 18 HG1 GLU 18 10.169 -3.838 -1.919 114 H CYS 19 HN CYS 19 7.959 -1.436 -5.718 115 HA CYS 19 HA CYS 19 5.289 -0.512 -5.007 116 HB2 CYS 19 HB2 CYS 19 5.994 1.523 -6.320 117 HB3 CYS 19 HB1 CYS 19 7.021 1.148 -4.936 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 22.521 5.509 1.763 2 H2 ALA 1 HT2 ALA 1 22.731 5.927 3.396 3 H3 ALA 1 HT3 ALA 1 21.169 5.831 2.735 4 HA ALA 1 HA ALA 1 22.976 3.493 2.821 5 HB1 ALA 1 HB1 ALA 1 22.490 4.570 5.116 6 HB2 ALA 1 HB2 ALA 1 22.095 2.861 4.928 7 HB3 ALA 1 HB3 ALA 1 20.818 4.074 4.852 8 H ALA 2 HN ALA 2 21.805 1.543 2.448 9 HA ALA 2 HA ALA 2 19.431 1.950 0.785 10 HB1 ALA 2 HB1 ALA 2 21.649 0.165 0.734 11 HB2 ALA 2 HB2 ALA 2 20.329 0.296 -0.428 12 HB3 ALA 2 HB3 ALA 2 20.188 -0.797 0.948 13 H CYS 3 HN CYS 3 17.468 0.872 1.130 14 HA CYS 3 HA CYS 3 16.778 0.464 3.885 15 HB2 CYS 3 HB2 CYS 3 15.289 0.185 1.282 16 HB3 CYS 3 HB1 CYS 3 14.558 -0.264 2.824 17 H HIS 4 HN HIS 4 17.799 -1.288 4.754 18 HA HIS 4 HA HIS 4 17.716 -3.854 3.357 19 HB2 HIS 4 HB2 HIS 4 18.982 -4.595 5.467 20 HB3 HIS 4 HB1 HIS 4 19.805 -3.469 4.387 21 HD2 HIS 4 HD2 HIS 4 19.830 -0.722 5.359 22 HE1 HIS 4 HE1 HIS 4 18.823 -1.788 9.319 23 HE2 HIS 4 HE2 HIS 4 19.667 0.092 7.835 24 H ASN 5 HN ASN 5 16.258 -2.215 6.097 25 HA ASN 5 HA ASN 5 14.528 -4.580 6.501 26 HB2 ASN 5 HB2 ASN 5 16.171 -4.196 8.366 27 HB3 ASN 5 HB1 ASN 5 15.383 -2.646 8.659 28 HD21 ASN 5 HD21 ASN 5 15.431 -4.925 10.534 29 HD22 ASN 5 HD22 ASN 5 13.816 -5.390 10.767 30 H HIS 6 HN HIS 6 14.781 -1.223 5.902 31 HA HIS 6 HA HIS 6 12.401 -0.209 6.940 32 HB2 HIS 6 HB2 HIS 6 13.928 0.485 4.431 33 HB3 HIS 6 HB1 HIS 6 12.528 1.405 4.986 34 HD2 HIS 6 HD2 HIS 6 16.291 1.329 5.576 35 HE1 HIS 6 HE1 HIS 6 14.654 3.364 8.893 36 HE2 HIS 6 HE2 HIS 6 16.806 2.811 7.663 37 H ALA 7 HN ALA 7 12.695 -0.765 3.440 38 HA ALA 7 HA ALA 7 10.935 -1.180 1.946 39 HB1 ALA 7 HB1 ALA 7 12.066 -3.335 2.365 40 HB2 ALA 7 HB2 ALA 7 10.348 -3.556 2.038 41 HB3 ALA 7 HB3 ALA 7 10.951 -3.653 3.693 42 HA PRO 8 HA PRO 8 9.430 -0.185 0.938 43 HB2 PRO 8 HB2 PRO 8 8.308 2.356 1.944 44 HB3 PRO 8 HB1 PRO 8 7.934 1.466 0.457 45 HG2 PRO 8 HG2 PRO 8 6.248 1.587 2.549 46 HG3 PRO 8 HG1 PRO 8 6.340 0.191 1.462 47 HD2 PRO 8 HD2 PRO 8 7.387 0.480 4.244 48 HD3 PRO 8 HD1 PRO 8 6.771 -0.958 3.407 49 H DAL 9 HN DAL 9 11.005 1.276 0.273 50 HA DAL 9 HA DAL 9 13.232 1.932 0.614 51 HB1 DAL 9 HB2 DAL 9 12.730 2.614 3.478 52 HB2 DAL 9 HB3 DAL 9 12.868 0.918 3.019 53 H MET 10 HN MET 10 14.205 4.102 1.787 54 HA MET 10 HA MET 10 12.735 6.338 2.281 55 HB2 MET 10 HB2 MET 10 15.408 5.806 1.210 56 HB3 MET 10 HB1 MET 10 14.749 7.367 0.715 57 HG2 MET 10 HG2 MET 10 14.042 7.234 3.384 58 HG3 MET 10 HG1 MET 10 15.632 6.470 3.368 59 HE1 MET 10 HE1 MET 10 18.138 8.678 2.524 60 HE2 MET 10 HE2 MET 10 17.482 7.195 3.211 61 HE3 MET 10 HE3 MET 10 17.597 8.643 4.208 62 HA PRO 11 HA PRO 11 12.081 7.516 -2.249 63 HB2 PRO 11 HB2 PRO 11 13.290 6.165 -4.256 64 HB3 PRO 11 HB1 PRO 11 14.131 7.425 -3.331 65 HG2 PRO 11 HG2 PRO 11 14.317 4.466 -3.103 66 HG3 PRO 11 HG1 PRO 11 15.593 5.687 -2.981 67 HD2 PRO 11 HD2 PRO 11 14.396 4.480 -0.791 68 HD3 PRO 11 HD1 PRO 11 15.198 6.064 -0.746 69 HA PRO 12 HA PRO 12 8.736 4.489 -2.398 70 HB2 PRO 12 HB2 PRO 12 7.872 6.340 -4.575 71 HB3 PRO 12 HB1 PRO 12 6.955 5.729 -3.187 72 HG2 PRO 12 HG2 PRO 12 7.904 8.231 -3.282 73 HG3 PRO 12 HG1 PRO 12 7.779 7.319 -1.770 74 HD2 PRO 12 HD2 PRO 12 10.205 8.037 -3.331 75 HD3 PRO 12 HD1 PRO 12 10.037 7.695 -1.594 76 H DAL 13 HN DAL 13 10.242 2.913 -3.296 77 HA DAL 13 HA DAL 13 9.953 2.619 -6.220 78 HB1 DAL 13 HB2 DAL 13 10.847 0.189 -5.078 79 HB2 DAL 13 HB3 DAL 13 9.553 0.783 -4.036 80 H TYR 14 HN TYR 14 12.188 2.161 -3.511 81 HA TYR 14 HA TYR 14 14.417 3.260 -4.803 82 HB2 TYR 14 HB2 TYR 14 14.202 2.852 -2.330 83 HB3 TYR 14 HB1 TYR 14 14.443 1.137 -2.645 84 HD1 TYR 14 HD1 TYR 14 16.086 4.104 -1.792 85 HD2 TYR 14 HD2 TYR 14 16.520 0.624 -4.266 86 HE1 TYR 14 HE1 TYR 14 18.542 4.449 -1.838 87 HE2 TYR 14 HE2 TYR 14 18.981 0.964 -4.313 88 HH TYR 14 HH TYR 14 20.673 2.254 -3.673 89 H TRP 15 HN TRP 15 13.387 -0.089 -4.395 90 HA TRP 15 HA TRP 15 15.500 -1.024 -6.200 91 HB2 TRP 15 HB2 TRP 15 13.548 -2.931 -5.040 92 HB3 TRP 15 HB1 TRP 15 15.304 -3.051 -5.165 93 HD1 TRP 15 HD1 TRP 15 16.753 -2.109 -3.180 94 HE1 TRP 15 HE1 TRP 15 16.159 -1.274 -0.811 95 HE3 TRP 15 HE3 TRP 15 11.692 -1.654 -3.649 96 HZ2 TRP 15 HZ2 TRP 15 13.840 -0.516 0.681 97 HZ3 TRP 15 HZ3 TRP 15 10.319 -0.870 -1.744 98 HH2 TRP 15 HH2 TRP 15 11.384 -0.308 0.419 99 H GLU 16 HN GLU 16 12.588 0.305 -6.591 100 HA GLU 16 HA GLU 16 10.831 0.092 -8.072 101 HB2 GLU 16 HB2 GLU 16 11.548 -0.097 -10.376 102 HB3 GLU 16 HB1 GLU 16 12.747 0.841 -9.485 103 HG2 GLU 16 HG2 GLU 16 14.155 -1.158 -9.245 104 HG3 GLU 16 HG1 GLU 16 12.950 -2.123 -10.098 105 H GLY 17 HN GLY 17 11.341 -2.260 -6.426 106 HA2 GLY 17 HA2 GLY 17 10.149 -4.294 -8.210 107 HA3 GLY 17 HA1 GLY 17 11.403 -4.723 -7.051 108 H GLU 18 HN GLU 18 10.707 -3.385 -4.808 109 HA GLU 18 HA GLU 18 8.605 -4.963 -3.745 110 HB2 GLU 18 HB2 GLU 18 9.998 -2.505 -2.667 111 HB3 GLU 18 HB1 GLU 18 8.874 -3.494 -1.737 112 HG2 GLU 18 HG2 GLU 18 11.410 -4.521 -3.039 113 HG3 GLU 18 HG1 GLU 18 11.243 -4.131 -1.328 114 H CYS 19 HN CYS 19 8.786 -1.628 -4.888 115 HA CYS 19 HA CYS 19 6.114 -0.954 -4.065 116 HB2 CYS 19 HB2 CYS 19 6.543 1.020 -5.662 117 HB3 CYS 19 HB1 CYS 19 7.580 0.885 -4.243 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 17.703 -1.932 6.524 2 H2 ALA 1 HT2 ALA 1 17.239 -3.054 7.712 3 H3 ALA 1 HT3 ALA 1 18.234 -1.740 8.124 4 HA ALA 1 HA ALA 1 15.358 -1.861 7.785 5 HB1 ALA 1 HB1 ALA 1 16.000 -1.344 9.958 6 HB2 ALA 1 HB2 ALA 1 15.790 0.274 9.290 7 HB3 ALA 1 HB3 ALA 1 17.406 -0.417 9.431 8 H ALA 2 HN ALA 2 18.074 -0.193 6.427 9 HA ALA 2 HA ALA 2 16.524 2.067 5.469 10 HB1 ALA 2 HB1 ALA 2 18.952 2.227 6.107 11 HB2 ALA 2 HB2 ALA 2 18.583 2.835 4.492 12 HB3 ALA 2 HB3 ALA 2 19.328 1.248 4.688 13 H CYS 3 HN CYS 3 16.901 2.599 3.035 14 HA CYS 3 HA CYS 3 15.402 0.827 1.490 15 HB2 CYS 3 HB2 CYS 3 16.687 3.339 1.119 16 HB3 CYS 3 HB1 CYS 3 17.141 2.299 -0.230 17 H HIS 4 HN HIS 4 18.827 0.959 2.114 18 HA HIS 4 HA HIS 4 19.760 -0.621 -0.015 19 HB2 HIS 4 HB2 HIS 4 20.799 -0.295 2.808 20 HB3 HIS 4 HB1 HIS 4 21.674 -1.134 1.526 21 HD2 HIS 4 HD2 HIS 4 21.256 2.435 2.823 22 HE1 HIS 4 HE1 HIS 4 22.769 2.802 -1.102 23 HE2 HIS 4 HE2 HIS 4 22.296 4.052 1.057 24 H ASN 5 HN ASN 5 18.194 -1.439 3.012 25 HA ASN 5 HA ASN 5 18.437 -4.307 2.316 26 HB2 ASN 5 HB2 ASN 5 19.420 -3.531 4.521 27 HB3 ASN 5 HB1 ASN 5 17.772 -3.178 5.036 28 HD21 ASN 5 HD21 ASN 5 17.886 -4.900 6.679 29 HD22 ASN 5 HD22 ASN 5 17.802 -6.533 6.225 30 H HIS 6 HN HIS 6 16.206 -2.530 4.434 31 HA HIS 6 HA HIS 6 13.960 -3.346 2.714 32 HB2 HIS 6 HB2 HIS 6 14.150 -3.831 5.696 33 HB3 HIS 6 HB1 HIS 6 12.688 -4.045 4.732 34 HD2 HIS 6 HD2 HIS 6 15.831 -6.041 5.676 35 HE1 HIS 6 HE1 HIS 6 14.058 -8.082 2.434 36 HE2 HIS 6 HE2 HIS 6 15.825 -8.230 4.252 37 H ALA 7 HN ALA 7 12.150 -2.010 2.821 38 HA ALA 7 HA ALA 7 12.460 0.681 3.089 39 HB1 ALA 7 HB1 ALA 7 10.350 0.567 2.350 40 HB2 ALA 7 HB2 ALA 7 9.824 0.162 3.983 41 HB3 ALA 7 HB3 ALA 7 10.240 -1.121 2.848 42 HA PRO 8 HA PRO 8 10.099 2.033 3.986 43 HB2 PRO 8 HB2 PRO 8 11.304 4.440 5.218 44 HB3 PRO 8 HB1 PRO 8 9.597 4.023 4.993 45 HG2 PRO 8 HG2 PRO 8 10.786 3.970 7.396 46 HG3 PRO 8 HG1 PRO 8 9.483 2.856 6.949 47 HD2 PRO 8 HD2 PRO 8 12.419 2.327 7.163 48 HD3 PRO 8 HD1 PRO 8 11.046 1.251 7.493 49 H DAL 9 HN DAL 9 10.616 2.805 2.023 50 HA DAL 9 HA DAL 9 12.121 2.811 0.202 51 HB1 DAL 9 HB2 DAL 9 14.372 3.741 1.943 52 HB2 DAL 9 HB3 DAL 9 13.914 2.038 1.975 53 H MET 10 HN MET 10 14.138 4.803 -0.104 54 HA MET 10 HA MET 10 12.833 7.333 0.573 55 HB2 MET 10 HB2 MET 10 15.548 6.469 -0.072 56 HB3 MET 10 HB1 MET 10 15.070 7.922 -0.951 57 HG2 MET 10 HG2 MET 10 14.097 8.332 1.637 58 HG3 MET 10 HG1 MET 10 15.684 7.603 1.878 59 HE1 MET 10 HE1 MET 10 17.809 8.645 -0.105 60 HE2 MET 10 HE2 MET 10 17.673 8.439 1.640 61 HE3 MET 10 HE3 MET 10 18.217 9.980 0.982 62 HA PRO 11 HA PRO 11 12.821 7.659 -4.174 63 HB2 PRO 11 HB2 PRO 11 13.911 5.676 -5.676 64 HB3 PRO 11 HB1 PRO 11 14.872 7.005 -4.999 65 HG2 PRO 11 HG2 PRO 11 14.601 4.200 -4.071 66 HG3 PRO 11 HG1 PRO 11 16.019 5.261 -4.066 67 HD2 PRO 11 HD2 PRO 11 14.449 4.742 -1.835 68 HD3 PRO 11 HD1 PRO 11 15.487 6.171 -2.027 69 HA PRO 12 HA PRO 12 8.945 5.526 -4.511 70 HB2 PRO 12 HB2 PRO 12 9.283 6.061 -7.427 71 HB3 PRO 12 HB1 PRO 12 7.917 6.440 -6.362 72 HG2 PRO 12 HG2 PRO 12 9.667 8.304 -7.198 73 HG3 PRO 12 HG1 PRO 12 8.849 8.385 -5.630 74 HD2 PRO 12 HD2 PRO 12 11.689 7.795 -6.225 75 HD3 PRO 12 HD1 PRO 12 10.951 8.391 -4.723 76 H DAL 13 HN DAL 13 9.874 3.468 -3.990 77 HA DAL 13 HA DAL 13 9.828 1.599 -6.202 78 HB1 DAL 13 HB2 DAL 13 9.897 -0.107 -4.518 79 HB2 DAL 13 HB3 DAL 13 10.484 1.026 -3.305 80 H TYR 14 HN TYR 14 12.136 2.238 -3.565 81 HA TYR 14 HA TYR 14 14.418 2.600 -5.128 82 HB2 TYR 14 HB2 TYR 14 14.297 3.089 -2.696 83 HB3 TYR 14 HB1 TYR 14 14.227 1.361 -2.371 84 HD1 TYR 14 HD1 TYR 14 16.280 3.468 -4.697 85 HD2 TYR 14 HD2 TYR 14 16.244 0.576 -1.527 86 HE1 TYR 14 HE1 TYR 14 18.746 3.357 -4.780 87 HE2 TYR 14 HE2 TYR 14 18.716 0.453 -1.612 88 HH TYR 14 HH TYR 14 20.600 1.774 -2.348 89 H TRP 15 HN TRP 15 13.190 -0.322 -3.570 90 HA TRP 15 HA TRP 15 15.186 -2.007 -4.834 91 HB2 TRP 15 HB2 TRP 15 12.872 -3.234 -3.448 92 HB3 TRP 15 HB1 TRP 15 14.597 -3.564 -3.277 93 HD1 TRP 15 HD1 TRP 15 15.919 -2.272 -1.433 94 HE1 TRP 15 HE1 TRP 15 15.221 -0.666 0.457 95 HE3 TRP 15 HE3 TRP 15 11.114 -1.294 -2.843 96 HZ2 TRP 15 HZ2 TRP 15 12.926 0.844 1.254 97 HZ3 TRP 15 HZ3 TRP 15 9.701 0.241 -1.509 98 HH2 TRP 15 HH2 TRP 15 10.598 1.310 0.538 99 H GLU 16 HN GLU 16 12.585 -0.530 -6.013 100 HA GLU 16 HA GLU 16 10.973 -0.973 -7.602 101 HB2 GLU 16 HB2 GLU 16 11.848 -2.001 -9.606 102 HB3 GLU 16 HB1 GLU 16 13.119 -1.012 -8.889 103 HG2 GLU 16 HG2 GLU 16 14.126 -2.992 -7.867 104 HG3 GLU 16 HG1 GLU 16 12.824 -4.004 -8.493 105 H GLY 17 HN GLY 17 11.288 -2.907 -5.255 106 HA2 GLY 17 HA2 GLY 17 9.861 -5.205 -6.458 107 HA3 GLY 17 HA1 GLY 17 10.841 -5.303 -4.999 108 H GLU 18 HN GLU 18 10.062 -3.243 -3.491 109 HA GLU 18 HA GLU 18 7.577 -4.092 -2.423 110 HB2 GLU 18 HB2 GLU 18 9.222 -1.604 -1.913 111 HB3 GLU 18 HB1 GLU 18 7.824 -2.086 -0.953 112 HG2 GLU 18 HG2 GLU 18 10.290 -3.795 -1.379 113 HG3 GLU 18 HG1 GLU 18 9.976 -2.828 0.061 114 H CYS 19 HN CYS 19 8.525 -1.375 -4.473 115 HA CYS 19 HA CYS 19 5.776 -0.373 -4.533 116 HB2 CYS 19 HB2 CYS 19 8.143 0.720 -6.052 117 HB3 CYS 19 HB1 CYS 19 6.657 1.557 -5.599 Start of MODEL 20 1 H1 ALA 1 HT1 ALA 1 17.356 -3.640 0.217 2 H2 ALA 1 HT2 ALA 1 16.142 -2.465 0.389 3 H3 ALA 1 HT3 ALA 1 15.902 -4.035 0.994 4 HA ALA 1 HA ALA 1 16.442 -2.344 2.720 5 HB1 ALA 1 HB1 ALA 1 16.952 -4.309 3.718 6 HB2 ALA 1 HB2 ALA 1 18.629 -3.941 3.318 7 HB3 ALA 1 HB3 ALA 1 17.670 -4.959 2.244 8 H ALA 2 HN ALA 2 17.527 -1.245 0.224 9 HA ALA 2 HA ALA 2 20.318 -0.814 0.411 10 HB1 ALA 2 HB1 ALA 2 19.915 1.068 -1.130 11 HB2 ALA 2 HB2 ALA 2 18.180 0.924 -0.847 12 HB3 ALA 2 HB3 ALA 2 19.054 -0.382 -1.648 13 H CYS 3 HN CYS 3 17.533 0.951 1.688 14 HA CYS 3 HA CYS 3 19.223 2.996 2.881 15 HB2 CYS 3 HB2 CYS 3 16.483 2.977 3.824 16 HB3 CYS 3 HB1 CYS 3 17.345 4.213 2.912 17 H HIS 4 HN HIS 4 17.719 0.006 3.772 18 HA HIS 4 HA HIS 4 18.112 -1.285 5.662 19 HB2 HIS 4 HB2 HIS 4 19.390 1.157 6.907 20 HB3 HIS 4 HB1 HIS 4 19.567 -0.522 7.406 21 HD2 HIS 4 HD2 HIS 4 21.013 1.916 4.714 22 HE1 HIS 4 HE1 HIS 4 22.871 -1.837 4.177 23 HE2 HIS 4 HE2 HIS 4 22.900 0.603 3.475 24 H ASN 5 HN ASN 5 15.804 -1.240 5.848 25 HA ASN 5 HA ASN 5 14.735 -0.682 8.286 26 HB2 ASN 5 HB2 ASN 5 15.007 1.770 6.686 27 HB3 ASN 5 HB1 ASN 5 13.397 1.512 7.355 28 HD21 ASN 5 HD21 ASN 5 15.655 3.443 8.165 29 HD22 ASN 5 HD22 ASN 5 15.851 3.164 9.828 30 H HIS 6 HN HIS 6 12.192 0.017 7.988 31 HA HIS 6 HA HIS 6 11.082 -2.128 6.445 32 HB2 HIS 6 HB2 HIS 6 9.954 -1.567 8.470 33 HB3 HIS 6 HB1 HIS 6 9.847 0.134 8.022 34 HD2 HIS 6 HD2 HIS 6 7.571 0.784 6.556 35 HE1 HIS 6 HE1 HIS 6 6.272 -3.155 5.767 36 HE2 HIS 6 HE2 HIS 6 5.673 -0.697 5.545 37 H ALA 7 HN ALA 7 10.459 -2.113 4.390 38 HA ALA 7 HA ALA 7 9.007 -0.377 2.946 39 HB1 ALA 7 HB1 ALA 7 11.593 0.830 3.530 40 HB2 ALA 7 HB2 ALA 7 10.139 1.562 2.857 41 HB3 ALA 7 HB3 ALA 7 11.269 0.722 1.804 42 HA PRO 8 HA PRO 8 12.146 -1.913 3.964 43 HB2 PRO 8 HB2 PRO 8 14.619 -2.562 3.056 44 HB3 PRO 8 HB1 PRO 8 13.404 -3.757 3.544 45 HG2 PRO 8 HG2 PRO 8 14.279 -2.943 0.843 46 HG3 PRO 8 HG1 PRO 8 13.674 -4.501 1.419 47 HD2 PRO 8 HD2 PRO 8 12.182 -2.645 -0.036 48 HD3 PRO 8 HD1 PRO 8 11.505 -3.971 0.927 49 H DAL 9 HN DAL 9 12.829 -0.510 0.874 50 HA DAL 9 HA DAL 9 14.281 1.241 0.284 51 HB1 DAL 9 HB2 DAL 9 14.519 2.177 3.108 52 HB2 DAL 9 HB3 DAL 9 15.417 0.742 2.613 53 H MET 10 HN MET 10 14.033 3.624 2.256 54 HA MET 10 HA MET 10 11.362 4.401 2.484 55 HB2 MET 10 HB2 MET 10 13.619 6.321 1.917 56 HB3 MET 10 HB1 MET 10 12.172 6.592 2.885 57 HG2 MET 10 HG2 MET 10 13.044 5.549 4.719 58 HG3 MET 10 HG1 MET 10 13.865 4.324 3.759 59 HE1 MET 10 HE1 MET 10 15.552 4.938 2.065 60 HE2 MET 10 HE2 MET 10 16.950 5.956 2.395 61 HE3 MET 10 HE3 MET 10 15.510 6.659 1.666 62 HA PRO 11 HA PRO 11 12.232 6.568 -1.902 63 HB2 PRO 11 HB2 PRO 11 13.641 4.181 -3.005 64 HB3 PRO 11 HB1 PRO 11 13.910 5.905 -3.338 65 HG2 PRO 11 HG2 PRO 11 15.568 4.500 -1.795 66 HG3 PRO 11 HG1 PRO 11 15.200 6.202 -1.471 67 HD2 PRO 11 HD2 PRO 11 14.281 3.775 -0.013 68 HD3 PRO 11 HD1 PRO 11 14.532 5.425 0.581 69 HA PRO 12 HA PRO 12 8.532 4.008 -2.452 70 HB2 PRO 12 HB2 PRO 12 7.813 6.289 -4.206 71 HB3 PRO 12 HB1 PRO 12 6.917 5.587 -2.846 72 HG2 PRO 12 HG2 PRO 12 8.129 7.945 -2.621 73 HG3 PRO 12 HG1 PRO 12 8.083 6.794 -1.274 74 HD2 PRO 12 HD2 PRO 12 10.354 7.420 -3.139 75 HD3 PRO 12 HD1 PRO 12 10.389 7.089 -1.389 76 H DAL 13 HN DAL 13 9.796 2.459 -3.707 77 HA DAL 13 HA DAL 13 8.913 2.268 -6.409 78 HB1 DAL 13 HB2 DAL 13 11.156 0.546 -5.810 79 HB2 DAL 13 HB3 DAL 13 9.979 0.526 -4.497 80 H TYR 14 HN TYR 14 11.765 3.581 -4.928 81 HA TYR 14 HA TYR 14 12.680 4.874 -7.236 82 HB2 TYR 14 HB2 TYR 14 13.452 5.600 -5.087 83 HB3 TYR 14 HB1 TYR 14 14.129 4.009 -4.734 84 HD1 TYR 14 HD1 TYR 14 14.287 6.062 -7.846 85 HD2 TYR 14 HD2 TYR 14 16.454 4.295 -4.588 86 HE1 TYR 14 HE1 TYR 14 16.425 6.742 -8.899 87 HE2 TYR 14 HE2 TYR 14 18.591 4.972 -5.635 88 HH TYR 14 HH TYR 14 18.681 6.399 -8.866 89 H TRP 15 HN TRP 15 13.742 1.828 -5.768 90 HA TRP 15 HA TRP 15 15.628 1.230 -7.854 91 HB2 TRP 15 HB2 TRP 15 14.522 -0.907 -6.086 92 HB3 TRP 15 HB1 TRP 15 16.186 -0.617 -6.595 93 HD1 TRP 15 HD1 TRP 15 17.686 0.856 -5.075 94 HE1 TRP 15 HE1 TRP 15 17.327 2.043 -2.810 95 HE3 TRP 15 HE3 TRP 15 12.629 0.347 -4.604 96 HZ2 TRP 15 HZ2 TRP 15 15.168 2.684 -1.044 97 HZ3 TRP 15 HZ3 TRP 15 11.452 1.254 -2.624 98 HH2 TRP 15 HH2 TRP 15 12.719 2.423 -0.847 99 H GLU 16 HN GLU 16 12.259 0.612 -7.210 100 HA GLU 16 HA GLU 16 10.619 -0.050 -8.719 101 HB2 GLU 16 HB2 GLU 16 11.098 -0.253 -10.935 102 HB3 GLU 16 HB1 GLU 16 12.645 0.444 -10.453 103 HG2 GLU 16 HG2 GLU 16 13.284 -2.072 -9.976 104 HG3 GLU 16 HG1 GLU 16 11.965 -2.410 -11.091 105 H GLY 17 HN GLY 17 12.142 -1.613 -6.641 106 HA2 GLY 17 HA2 GLY 17 11.145 -4.274 -7.449 107 HA3 GLY 17 HA1 GLY 17 12.743 -4.103 -6.729 108 H GLU 18 HN GLU 18 12.096 -2.083 -4.827 109 HA GLU 18 HA GLU 18 11.007 -3.731 -2.746 110 HB2 GLU 18 HB2 GLU 18 11.893 -0.847 -2.822 111 HB3 GLU 18 HB1 GLU 18 11.339 -1.655 -1.361 112 HG2 GLU 18 HG2 GLU 18 13.121 -3.315 -1.565 113 HG3 GLU 18 HG1 GLU 18 13.643 -2.600 -3.089 114 H CYS 19 HN CYS 19 9.613 -1.818 -5.099 115 HA CYS 19 HA CYS 19 7.346 -0.947 -3.470 116 HB2 CYS 19 HB2 CYS 19 6.690 -0.323 -6.052 117 HB3 CYS 19 HB1 CYS 19 7.572 0.747 -4.959
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