NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570335 | 2mg6 | 19587 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -6.745 3.412 -1.887 2 H2 GLY 1 2HT GLY 1 -8.267 4.131 -1.663 3 H3 GLY 1 3HT GLY 1 -7.913 3.326 -3.114 4 HA2 GLY 1 2HA GLY 1 -8.716 2.252 -0.533 5 HA3 GLY 1 1HA GLY 1 -9.037 1.640 -2.155 6 H CYS 2 H CYS 2 -6.562 1.368 -3.238 7 HA CYS 2 HA CYS 2 -5.628 -1.085 -2.474 8 HB2 CYS 2 2HB CYS 2 -4.936 0.232 -4.515 9 HB3 CYS 2 1HB CYS 2 -3.810 1.110 -3.478 10 H ABA 3 H ABA 3 -4.501 2.057 -1.241 11 HA ABA 3 HA ABA 3 -2.350 1.350 0.302 12 HB3 ABA 3 1HB ABA 3 -4.347 3.092 1.650 13 HB2 ABA 3 2HB ABA 3 -3.793 3.606 0.058 14 HG1 ABA 3 HG ABA 3 -1.501 3.825 0.868 15 H SER 4 H SER 4 -5.712 0.582 0.900 16 HA SER 4 HA SER 4 -5.443 -0.202 3.629 17 HB2 SER 4 2HB SER 4 -7.616 0.320 2.573 18 HB3 SER 4 1HB SER 4 -7.464 -1.125 1.575 19 HG SER 4 HG SER 4 -7.154 -2.221 3.723 20 H ASP 5 H ASP 5 -4.623 -1.765 0.642 21 HA ASP 5 HA ASP 5 -4.718 -4.454 1.636 22 HB2 ASP 5 2HB ASP 5 -4.371 -3.243 -0.860 23 HB3 ASP 5 1HB ASP 5 -2.843 -4.052 -0.542 24 HA PRO 6 HA PRO 6 -1.038 -4.259 4.145 25 HB2 PRO 6 2HB PRO 6 -0.530 -7.024 4.017 26 HB3 PRO 6 1HB PRO 6 -1.524 -6.205 5.235 27 HG2 PRO 6 2HG PRO 6 -2.349 -7.701 2.815 28 HG3 PRO 6 1HG PRO 6 -3.165 -7.535 4.379 29 HD2 PRO 6 2HD PRO 6 -4.004 -6.211 2.160 30 HD3 PRO 6 1HD PRO 6 -4.169 -5.522 3.793 31 H ARG 7 H ARG 7 -1.272 -5.696 0.997 32 HA ARG 7 HA ARG 7 1.619 -5.863 0.623 33 HB2 ARG 7 2HB ARG 7 -0.729 -6.970 -0.653 34 HB3 ARG 7 1HB ARG 7 0.303 -6.184 -1.849 35 HG2 ARG 7 2HG ARG 7 0.972 -8.532 -1.563 36 HG3 ARG 7 1HG ARG 7 2.250 -7.460 -0.992 37 HD2 ARG 7 2HD ARG 7 0.312 -8.097 1.104 38 HD3 ARG 7 1HD ARG 7 1.100 -9.534 0.453 39 HE ARG 7 HE ARG 7 2.998 -7.454 0.987 40 HH11 ARG 7 1HH2 ARG 7 1.051 -9.872 2.444 41 HH12 ARG 7 2HH2 ARG 7 2.118 -10.107 3.782 42 HH21 ARG 7 1HH1 ARG 7 4.378 -7.773 2.704 43 HH22 ARG 7 2HH1 ARG 7 3.983 -8.930 3.927 44 H CYS 8 H CYS 8 -0.961 -3.660 0.112 45 HA CYS 8 HA CYS 8 0.407 -2.109 -1.932 46 HB2 CYS 8 2HB CYS 8 -2.205 -2.348 -1.366 47 HB3 CYS 8 1HB CYS 8 -1.844 -0.914 -0.407 48 H ASN 9 H ASN 9 -0.238 -1.861 1.542 49 HA ASN 9 HA ASN 9 0.722 0.706 2.022 50 HB2 ASN 9 2HB ASN 9 0.040 -1.571 3.584 51 HB3 ASN 9 1HB ASN 9 1.618 -1.016 4.134 52 HD21 ASN 9 1HD2 ASN 9 -1.672 0.262 3.398 53 HD22 ASN 9 2HD2 ASN 9 -1.596 1.483 4.574 54 H TYR 10 H TYR 10 2.450 -2.124 1.127 55 HA TYR 10 HA TYR 10 5.060 -0.973 1.822 56 HB2 TYR 10 2HB TYR 10 4.216 -3.650 0.694 57 HB3 TYR 10 1HB TYR 10 5.899 -3.172 0.902 58 HD1 TYR 10 2HD TYR 10 2.689 -3.294 2.841 59 HD2 TYR 10 1HD TYR 10 6.962 -3.712 2.910 60 HE1 TYR 10 2HE TYR 10 2.580 -4.025 5.213 61 HE2 TYR 10 1HE TYR 10 6.849 -4.444 5.281 62 HH TYR 10 HH TYR 10 5.188 -5.486 6.796 63 H ASP 11 H ASP 11 2.987 -1.659 -0.891 64 HA ASP 11 HA ASP 11 5.018 -1.091 -2.893 65 HB2 ASP 11 2HB ASP 11 2.770 -2.637 -2.897 66 HB3 ASP 11 1HB ASP 11 2.178 -1.190 -3.705 67 H HIS 12 H HIS 12 2.334 0.571 -1.344 68 HA HIS 12 HA HIS 12 3.133 3.037 -2.780 69 HB2 HIS 12 2HB HIS 12 0.389 1.863 -2.462 70 HB3 HIS 12 1HB HIS 12 0.581 3.608 -2.548 71 HD2 HIS 12 2HD HIS 12 1.197 0.477 -4.828 72 HE1 HIS 12 1HE HIS 12 1.466 3.935 -7.231 73 HE2 HIS 12 2HE HIS 12 1.449 1.390 -7.263 74 HA PRO 13 HA PRO 13 3.116 3.496 1.890 75 HB2 PRO 13 2HB PRO 13 5.534 4.862 1.903 76 HB3 PRO 13 1HB PRO 13 5.360 3.116 2.150 77 HG2 PRO 13 2HG PRO 13 6.140 4.613 -0.293 78 HG3 PRO 13 1HG PRO 13 6.729 3.059 0.319 79 HD2 PRO 13 2HD PRO 13 4.965 3.225 -1.743 80 HD3 PRO 13 1HD PRO 13 4.954 1.868 -0.593 81 H GLU 14 H GLU 14 4.292 5.815 -0.548 82 HA GLU 14 HA GLU 14 3.804 8.215 0.730 83 HB2 GLU 14 2HB GLU 14 3.624 7.406 -2.164 84 HB3 GLU 14 1HB GLU 14 3.332 9.071 -1.654 85 HG2 GLU 14 2HG GLU 14 5.775 7.785 -0.551 86 HG3 GLU 14 1HG GLU 14 5.795 8.128 -2.279 87 H ILE 15 H ILE 15 1.494 5.968 -0.552 88 HA ILE 15 HA ILE 15 -0.720 7.841 -0.603 89 HB ILE 15 HB ILE 15 -0.620 4.823 -0.841 90 HG12 ILE 15 2HG1 ILE 15 -0.686 7.109 -2.808 91 HG13 ILE 15 1HG1 ILE 15 0.466 5.782 -2.724 92 HG21 ILE 15 1HG2 ILE 15 -2.893 6.737 -1.456 93 HG22 ILE 15 2HG2 ILE 15 -2.821 5.706 -0.028 94 HG23 ILE 15 3HG2 ILE 15 -2.921 4.983 -1.631 95 HD11 ILE 15 3HD1 ILE 15 -0.874 4.997 -4.434 96 HD12 ILE 15 1HD1 ILE 15 -2.312 5.812 -3.818 97 HD13 ILE 15 2HD1 ILE 15 -1.745 4.326 -3.056 98 H ABA 16 H ABA 16 0.382 5.204 1.477 99 HA ABA 16 HA ABA 16 -1.777 5.811 3.389 100 HB3 ABA 16 1HB ABA 16 -0.813 3.647 4.468 101 HB2 ABA 16 2HB ABA 16 -0.010 3.435 2.911 102 HG1 ABA 16 HG ABA 16 -2.823 2.898 3.460 103 HN1 NH2 17 2H ABA 16 1.992 6.457 4.792 104 HN2 NH2 17 1H ABA 16 1.788 5.791 3.245 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -7.555 4.162 -0.465 2 H2 GLY 1 2HT GLY 1 -7.073 4.868 -1.928 3 H3 GLY 1 3HT GLY 1 -5.998 3.874 -1.067 4 HA2 GLY 1 2HA GLY 1 -8.571 2.745 -1.924 5 HA3 GLY 1 1HA GLY 1 -7.294 2.942 -3.123 6 H CYS 2 H CYS 2 -5.946 1.269 -3.334 7 HA CYS 2 HA CYS 2 -6.056 -1.074 -1.814 8 HB2 CYS 2 2HB CYS 2 -4.121 -1.792 -3.005 9 HB3 CYS 2 1HB CYS 2 -5.047 -0.785 -4.114 10 H ABA 3 H ABA 3 -4.600 1.894 -0.983 11 HA ABA 3 HA ABA 3 -2.335 1.369 0.444 12 HB3 ABA 3 1HB ABA 3 -4.382 3.005 1.857 13 HB2 ABA 3 2HB ABA 3 -3.918 3.518 0.239 14 HG1 ABA 3 HG ABA 3 -1.532 3.700 0.985 15 H SER 4 H SER 4 -5.578 0.370 1.282 16 HA SER 4 HA SER 4 -5.005 -0.344 4.009 17 HB2 SER 4 2HB SER 4 -7.233 -1.766 3.419 18 HB3 SER 4 1HB SER 4 -7.250 -0.060 3.861 19 HG SER 4 HG SER 4 -7.338 -1.255 1.287 20 H ASP 5 H ASP 5 -4.502 -1.894 0.963 21 HA ASP 5 HA ASP 5 -4.509 -4.587 2.029 22 HB2 ASP 5 2HB ASP 5 -4.554 -3.416 -0.552 23 HB3 ASP 5 1HB ASP 5 -3.095 -4.390 -0.462 24 HA PRO 6 HA PRO 6 -0.399 -4.369 3.749 25 HB2 PRO 6 2HB PRO 6 0.047 -7.144 3.594 26 HB3 PRO 6 1HB PRO 6 -0.665 -6.279 4.967 27 HG2 PRO 6 2HG PRO 6 -1.987 -7.820 2.811 28 HG3 PRO 6 1HG PRO 6 -2.455 -7.605 4.506 29 HD2 PRO 6 2HD PRO 6 -3.734 -6.321 2.489 30 HD3 PRO 6 1HD PRO 6 -3.533 -5.583 4.096 31 H ARG 7 H ARG 7 -1.272 -5.965 0.776 32 HA ARG 7 HA ARG 7 1.450 -6.236 -0.163 33 HB2 ARG 7 2HB ARG 7 -1.065 -7.305 -0.894 34 HB3 ARG 7 1HB ARG 7 -0.514 -6.363 -2.279 35 HG2 ARG 7 2HG ARG 7 1.512 -8.113 -0.959 36 HG3 ARG 7 1HG ARG 7 0.243 -8.920 -1.879 37 HD2 ARG 7 2HD ARG 7 2.179 -8.443 -3.315 38 HD3 ARG 7 1HD ARG 7 0.770 -7.525 -3.845 39 HE ARG 7 HE ARG 7 1.802 -5.627 -2.466 40 HH11 ARG 7 1HH2 ARG 7 3.621 -8.038 -4.118 41 HH12 ARG 7 2HH2 ARG 7 5.069 -7.099 -4.130 42 HH21 ARG 7 1HH1 ARG 7 3.641 -4.439 -2.510 43 HH22 ARG 7 2HH1 ARG 7 5.082 -5.068 -3.221 44 H CYS 8 H CYS 8 -0.955 -3.812 -0.133 45 HA CYS 8 HA CYS 8 0.474 -2.273 -2.218 46 HB2 CYS 8 2HB CYS 8 -2.203 -2.702 -1.967 47 HB3 CYS 8 1HB CYS 8 -2.025 -1.185 -1.091 48 H ASN 9 H ASN 9 -0.545 -2.237 1.147 49 HA ASN 9 HA ASN 9 0.074 0.440 1.759 50 HB2 ASN 9 2HB ASN 9 -1.145 -1.288 3.200 51 HB3 ASN 9 1HB ASN 9 0.455 -1.855 3.673 52 HD21 ASN 9 1HD2 ASN 9 -1.502 1.150 3.552 53 HD22 ASN 9 2HD2 ASN 9 -0.767 1.848 4.914 54 H TYR 10 H TYR 10 2.139 -2.290 1.277 55 HA TYR 10 HA TYR 10 4.464 -0.952 2.445 56 HB2 TYR 10 2HB TYR 10 4.018 -3.667 1.196 57 HB3 TYR 10 1HB TYR 10 5.610 -3.093 1.696 58 HD1 TYR 10 1HD TYR 10 2.119 -3.159 3.089 59 HD2 TYR 10 2HD TYR 10 6.305 -3.767 3.818 60 HE1 TYR 10 1HE TYR 10 1.612 -3.836 5.421 61 HE2 TYR 10 2HE TYR 10 5.795 -4.446 6.152 62 HH TYR 10 HH TYR 10 3.842 -5.401 7.402 63 H ASP 11 H ASP 11 3.038 -1.699 -0.647 64 HA ASP 11 HA ASP 11 5.416 -0.845 -2.120 65 HB2 ASP 11 2HB ASP 11 3.078 -2.448 -2.688 66 HB3 ASP 11 1HB ASP 11 3.272 -1.195 -3.910 67 H HIS 12 H HIS 12 2.263 0.392 -1.205 68 HA HIS 12 HA HIS 12 2.836 2.893 -2.700 69 HB2 HIS 12 2HB HIS 12 0.265 1.508 -1.989 70 HB3 HIS 12 1HB HIS 12 0.287 3.243 -2.266 71 HD2 HIS 12 2HD HIS 12 0.736 -0.060 -4.297 72 HE1 HIS 12 1HE HIS 12 0.814 3.168 -7.014 73 HE2 HIS 12 2HE HIS 12 0.755 0.636 -6.816 74 HA PRO 13 HA PRO 13 3.099 3.740 1.912 75 HB2 PRO 13 2HB PRO 13 5.495 5.076 1.789 76 HB3 PRO 13 1HB PRO 13 5.353 3.327 2.051 77 HG2 PRO 13 2HG PRO 13 5.990 4.819 -0.444 78 HG3 PRO 13 1HG PRO 13 6.664 3.301 0.171 79 HD2 PRO 13 2HD PRO 13 4.784 3.371 -1.806 80 HD3 PRO 13 1HD PRO 13 4.919 2.026 -0.650 81 H GLU 14 H GLU 14 4.137 5.866 -0.757 82 HA GLU 14 HA GLU 14 3.670 8.343 0.417 83 HB2 GLU 14 2HB GLU 14 3.258 7.553 -2.479 84 HB3 GLU 14 1HB GLU 14 3.445 9.204 -1.881 85 HG2 GLU 14 2HG GLU 14 5.669 8.370 -0.847 86 HG3 GLU 14 1HG GLU 14 5.492 6.982 -1.916 87 H ILE 15 H ILE 15 1.401 6.012 -0.804 88 HA ILE 15 HA ILE 15 -0.846 7.793 -1.018 89 HB ILE 15 HB ILE 15 -0.690 4.772 -0.842 90 HG12 ILE 15 2HG1 ILE 15 -0.736 6.777 -3.093 91 HG13 ILE 15 1HG1 ILE 15 0.390 5.447 -2.839 92 HG21 ILE 15 1HG2 ILE 15 -2.984 4.781 -1.657 93 HG22 ILE 15 2HG2 ILE 15 -2.990 6.543 -1.731 94 HG23 ILE 15 3HG2 ILE 15 -2.913 5.725 -0.170 95 HD11 ILE 15 3HD1 ILE 15 -1.026 4.641 -4.540 96 HD12 ILE 15 1HD1 ILE 15 -2.465 5.333 -3.795 97 HD13 ILE 15 2HD1 ILE 15 -1.694 3.918 -3.079 98 H ABA 16 H ABA 16 0.124 5.327 1.358 99 HA ABA 16 HA ABA 16 -1.984 6.231 3.184 100 HB3 ABA 16 1HB ABA 16 -1.006 4.258 4.566 101 HB2 ABA 16 2HB ABA 16 -0.164 3.845 3.071 102 HG1 ABA 16 HG ABA 16 -3.018 3.411 3.638 103 HN1 NH2 17 2H ABA 16 1.647 7.541 4.268 104 HN2 NH2 17 1H ABA 16 1.366 6.873 2.733 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -9.778 1.580 -0.400 2 H2 GLY 1 2HT GLY 1 -9.813 2.905 0.653 3 H3 GLY 1 3HT GLY 1 -8.888 1.535 1.040 4 HA2 GLY 1 2HA GLY 1 -8.354 3.123 -1.400 5 HA3 GLY 1 1HA GLY 1 -7.627 3.541 0.150 6 H CYS 2 H CYS 2 -5.914 2.876 -1.843 7 HA CYS 2 HA CYS 2 -5.307 0.183 -2.244 8 HB2 CYS 2 2HB CYS 2 -4.204 2.432 -3.178 9 HB3 CYS 2 1HB CYS 2 -3.002 2.039 -1.946 10 H ABA 3 H ABA 3 -4.692 2.187 0.552 11 HA ABA 3 HA ABA 3 -2.693 0.609 1.780 12 HB3 ABA 3 1HB ABA 3 -3.989 1.627 3.920 13 HB2 ABA 3 2HB ABA 3 -4.607 2.688 2.663 14 HG1 ABA 3 HG ABA 3 -1.888 2.701 3.785 15 H SER 4 H SER 4 -6.077 0.061 1.356 16 HA SER 4 HA SER 4 -6.665 -1.587 3.539 17 HB2 SER 4 2HB SER 4 -7.689 -2.244 0.791 18 HB3 SER 4 1HB SER 4 -8.519 -2.349 2.341 19 HG SER 4 HG SER 4 -7.919 -0.093 0.754 20 H ASP 5 H ASP 5 -4.776 -2.199 0.674 21 HA ASP 5 HA ASP 5 -4.472 -5.034 1.416 22 HB2 ASP 5 2HB ASP 5 -4.454 -3.566 -1.096 23 HB3 ASP 5 1HB ASP 5 -3.028 -4.569 -0.924 24 HA PRO 6 HA PRO 6 -0.729 -3.575 3.516 25 HB2 PRO 6 2HB PRO 6 -0.305 -6.539 3.503 26 HB3 PRO 6 1HB PRO 6 -0.139 -5.385 4.842 27 HG2 PRO 6 2HG PRO 6 -2.246 -6.998 4.658 28 HG3 PRO 6 1HG PRO 6 -2.397 -5.338 5.257 29 HD2 PRO 6 2HD PRO 6 -3.248 -6.472 2.630 30 HD3 PRO 6 1HD PRO 6 -3.942 -5.122 3.557 31 H ARG 7 H ARG 7 -1.023 -5.782 0.815 32 HA ARG 7 HA ARG 7 1.718 -5.858 0.074 33 HB2 ARG 7 2HB ARG 7 -0.743 -6.940 -0.881 34 HB3 ARG 7 1HB ARG 7 0.059 -6.137 -2.233 35 HG2 ARG 7 2HG ARG 7 1.327 -8.202 -0.398 36 HG3 ARG 7 1HG ARG 7 0.795 -8.488 -2.054 37 HD2 ARG 7 2HD ARG 7 2.945 -7.964 -2.593 38 HD3 ARG 7 1HD ARG 7 2.396 -6.298 -2.395 39 HE ARG 7 HE ARG 7 3.260 -7.499 0.087 40 HH11 ARG 7 1HH2 ARG 7 4.244 -5.888 -2.779 41 HH12 ARG 7 2HH2 ARG 7 5.699 -5.266 -2.090 42 HH21 ARG 7 1HH1 ARG 7 5.142 -6.728 0.975 43 HH22 ARG 7 2HH1 ARG 7 6.214 -5.758 0.028 44 H CYS 8 H CYS 8 -0.888 -3.647 -0.549 45 HA CYS 8 HA CYS 8 0.714 -2.134 -2.491 46 HB2 CYS 8 2HB CYS 8 -1.644 -2.362 -3.008 47 HB3 CYS 8 1HB CYS 8 -2.089 -1.704 -1.432 48 H ASN 9 H ASN 9 -0.543 -1.891 0.791 49 HA ASN 9 HA ASN 9 0.238 0.811 1.212 50 HB2 ASN 9 2HB ASN 9 -0.890 0.501 3.128 51 HB3 ASN 9 1HB ASN 9 -1.115 -1.183 2.675 52 HD21 ASN 9 1HD2 ASN 9 1.575 0.822 4.041 53 HD22 ASN 9 2HD2 ASN 9 1.997 -0.327 5.216 54 H TYR 10 H TYR 10 2.013 -2.137 1.171 55 HA TYR 10 HA TYR 10 4.252 -1.073 2.684 56 HB2 TYR 10 2HB TYR 10 4.138 -3.358 3.017 57 HB3 TYR 10 1HB TYR 10 3.553 -3.670 1.384 58 HD1 TYR 10 1HD TYR 10 5.153 -3.340 -0.570 59 HD2 TYR 10 2HD TYR 10 6.465 -3.527 3.517 60 HE1 TYR 10 1HE TYR 10 7.471 -3.805 -1.334 61 HE2 TYR 10 2HE TYR 10 8.777 -4.000 2.746 62 HH TYR 10 HH TYR 10 10.050 -3.367 0.319 63 H ASP 11 H ASP 11 3.357 -1.703 -0.661 64 HA ASP 11 HA ASP 11 5.947 -0.866 -1.677 65 HB2 ASP 11 2HB ASP 11 3.654 -2.311 -2.683 66 HB3 ASP 11 1HB ASP 11 4.102 -1.022 -3.798 67 H HIS 12 H HIS 12 2.688 0.461 -1.357 68 HA HIS 12 HA HIS 12 3.730 3.020 -2.428 69 HB2 HIS 12 2HB HIS 12 0.896 1.964 -2.537 70 HB3 HIS 12 1HB HIS 12 1.424 3.540 -3.118 71 HD2 HIS 12 2HD HIS 12 1.890 -0.237 -4.066 72 HE1 HIS 12 1HE HIS 12 3.285 2.108 -7.282 73 HE2 HIS 12 2HE HIS 12 2.796 -0.269 -6.518 74 HA PRO 13 HA PRO 13 2.360 3.493 2.055 75 HB2 PRO 13 2HB PRO 13 4.767 4.421 3.005 76 HB3 PRO 13 1HB PRO 13 4.314 2.705 2.993 77 HG2 PRO 13 2HG PRO 13 6.068 4.214 1.122 78 HG3 PRO 13 1HG PRO 13 6.240 2.567 1.750 79 HD2 PRO 13 2HD PRO 13 5.308 3.113 -0.765 80 HD3 PRO 13 1HD PRO 13 4.832 1.667 0.150 81 H GLU 14 H GLU 14 4.557 5.455 0.094 82 HA GLU 14 HA GLU 14 4.000 7.984 1.204 83 HB2 GLU 14 2HB GLU 14 5.775 7.137 -0.578 84 HB3 GLU 14 1HB GLU 14 4.556 7.695 -1.720 85 HG2 GLU 14 2HG GLU 14 4.844 9.676 0.331 86 HG3 GLU 14 1HG GLU 14 6.447 9.265 -0.266 87 H ILE 15 H ILE 15 2.363 6.064 -1.225 88 HA ILE 15 HA ILE 15 0.526 8.130 -2.049 89 HB ILE 15 HB ILE 15 0.241 5.132 -2.367 90 HG12 ILE 15 2HG1 ILE 15 1.729 7.190 -4.016 91 HG13 ILE 15 1HG1 ILE 15 2.390 5.735 -3.276 92 HG21 ILE 15 1HG2 ILE 15 -1.155 5.747 -4.273 93 HG22 ILE 15 2HG2 ILE 15 -0.815 7.457 -4.008 94 HG23 ILE 15 3HG2 ILE 15 -1.765 6.551 -2.829 95 HD11 ILE 15 3HD1 ILE 15 2.093 5.038 -5.481 96 HD12 ILE 15 1HD1 ILE 15 0.626 5.993 -5.688 97 HD13 ILE 15 2HD1 ILE 15 0.584 4.508 -4.737 98 H ABA 16 H ABA 16 0.532 5.440 0.202 99 HA ABA 16 HA ABA 16 -2.224 5.757 0.997 100 HB3 ABA 16 1HB ABA 16 -0.575 4.317 2.898 101 HB2 ABA 16 2HB ABA 16 -0.250 3.778 1.255 102 HG1 ABA 16 HG ABA 16 -2.851 3.542 1.007 103 HN1 NH2 17 2H ABA 16 0.248 7.651 3.650 104 HN2 NH2 17 1H ABA 16 0.928 6.675 2.441 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -7.678 3.166 -3.480 2 H2 GLY 1 2HT GLY 1 -6.865 3.728 -2.095 3 H3 GLY 1 3HT GLY 1 -8.518 4.054 -2.307 4 HA2 GLY 1 2HA GLY 1 -8.557 2.323 -0.796 5 HA3 GLY 1 1HA GLY 1 -8.804 1.517 -2.343 6 H CYS 2 H CYS 2 -5.838 2.337 -2.878 7 HA CYS 2 HA CYS 2 -4.516 0.002 -2.753 8 HB2 CYS 2 2HB CYS 2 -3.589 2.195 -3.541 9 HB3 CYS 2 1HB CYS 2 -3.273 2.616 -1.862 10 H ABA 3 H ABA 3 -4.369 2.312 -0.020 11 HA ABA 3 HA ABA 3 -2.971 0.808 1.811 12 HB3 ABA 3 1HB ABA 3 -5.059 2.122 3.243 13 HB2 ABA 3 2HB ABA 3 -4.615 3.142 1.874 14 HG1 ABA 3 HG ABA 3 -2.964 2.559 4.274 15 H SER 4 H SER 4 -6.131 0.114 0.616 16 HA SER 4 HA SER 4 -7.237 -1.294 2.795 17 HB2 SER 4 2HB SER 4 -8.745 -2.269 1.233 18 HB3 SER 4 1HB SER 4 -8.407 -0.649 0.631 19 HG SER 4 HG SER 4 -6.547 -2.045 -0.441 20 H ASP 5 H ASP 5 -4.769 -2.185 0.493 21 HA ASP 5 HA ASP 5 -4.817 -4.967 1.448 22 HB2 ASP 5 2HB ASP 5 -4.136 -3.697 -1.043 23 HB3 ASP 5 1HB ASP 5 -2.758 -4.617 -0.457 24 HA PRO 6 HA PRO 6 -1.637 -4.011 4.393 25 HB2 PRO 6 2HB PRO 6 -0.603 -6.639 4.468 26 HB3 PRO 6 1HB PRO 6 -1.854 -5.971 5.526 27 HG2 PRO 6 2HG PRO 6 -2.124 -7.693 3.141 28 HG3 PRO 6 1HG PRO 6 -3.146 -7.583 4.582 29 HD2 PRO 6 2HD PRO 6 -3.895 -6.549 2.183 30 HD3 PRO 6 1HD PRO 6 -4.392 -5.821 3.731 31 H ARG 7 H ARG 7 -1.047 -5.674 1.380 32 HA ARG 7 HA ARG 7 1.821 -5.289 1.438 33 HB2 ARG 7 2HB ARG 7 0.075 -6.930 0.015 34 HB3 ARG 7 1HB ARG 7 0.656 -5.782 -1.189 35 HG2 ARG 7 2HG ARG 7 2.252 -7.530 -1.233 36 HG3 ARG 7 1HG ARG 7 3.013 -6.272 -0.259 37 HD2 ARG 7 2HD ARG 7 3.245 -8.495 0.805 38 HD3 ARG 7 1HD ARG 7 2.291 -7.400 1.802 39 HE ARG 7 HE ARG 7 0.449 -8.790 1.475 40 HH11 ARG 7 1HH2 ARG 7 2.874 -9.445 -0.873 41 HH12 ARG 7 2HH2 ARG 7 2.093 -10.868 -1.461 42 HH21 ARG 7 1HH1 ARG 7 -0.549 -10.619 0.711 43 HH22 ARG 7 2HH1 ARG 7 0.172 -11.529 -0.572 44 H CYS 8 H CYS 8 -0.969 -3.609 0.266 45 HA CYS 8 HA CYS 8 0.089 -1.943 -1.688 46 HB2 CYS 8 2HB CYS 8 -2.275 -2.047 -0.129 47 HB3 CYS 8 1HB CYS 8 -1.672 -0.394 -0.051 48 H ASN 9 H ASN 9 0.302 -1.609 1.834 49 HA ASN 9 HA ASN 9 1.417 0.980 1.901 50 HB2 ASN 9 2HB ASN 9 1.565 -1.366 3.783 51 HB3 ASN 9 1HB ASN 9 2.396 0.148 4.130 52 HD21 ASN 9 1HD2 ASN 9 1.157 1.819 5.012 53 HD22 ASN 9 2HD2 ASN 9 -0.535 1.767 5.163 54 H TYR 10 H TYR 10 2.738 -1.999 0.898 55 HA TYR 10 HA TYR 10 5.515 -1.132 1.235 56 HB2 TYR 10 2HB TYR 10 4.316 -3.655 0.061 57 HB3 TYR 10 1HB TYR 10 6.039 -3.357 0.269 58 HD1 TYR 10 2HD TYR 10 2.827 -3.422 2.210 59 HD2 TYR 10 1HD TYR 10 7.089 -3.961 2.278 60 HE1 TYR 10 2HE TYR 10 2.690 -4.243 4.549 61 HE2 TYR 10 1HE TYR 10 6.941 -4.782 4.616 62 HH TYR 10 HH TYR 10 5.363 -4.526 6.550 63 H ASP 11 H ASP 11 3.052 -1.528 -1.212 64 HA ASP 11 HA ASP 11 4.894 -0.957 -3.399 65 HB2 ASP 11 2HB ASP 11 2.126 -1.940 -3.106 66 HB3 ASP 11 1HB ASP 11 2.420 -0.928 -4.516 67 H HIS 12 H HIS 12 2.437 0.695 -1.494 68 HA HIS 12 HA HIS 12 3.120 3.196 -2.928 69 HB2 HIS 12 2HB HIS 12 0.377 2.250 -2.068 70 HB3 HIS 12 1HB HIS 12 0.731 3.895 -2.582 71 HD2 HIS 12 2HD HIS 12 0.709 0.286 -4.151 72 HE1 HIS 12 1HE HIS 12 0.825 3.106 -7.288 73 HE2 HIS 12 2HE HIS 12 0.637 0.627 -6.743 74 HA PRO 13 HA PRO 13 3.765 3.362 1.781 75 HB2 PRO 13 2HB PRO 13 6.243 4.693 0.817 76 HB3 PRO 13 1HB PRO 13 6.037 3.485 2.098 77 HG2 PRO 13 2HG PRO 13 7.103 2.863 -0.269 78 HG3 PRO 13 1HG PRO 13 6.092 1.726 0.636 79 HD2 PRO 13 2HD PRO 13 5.418 3.308 -1.807 80 HD3 PRO 13 1HD PRO 13 4.846 1.705 -1.298 81 H GLU 14 H GLU 14 3.611 5.514 -0.885 82 HA GLU 14 HA GLU 14 3.724 7.966 0.651 83 HB2 GLU 14 2HB GLU 14 4.473 7.887 -1.696 84 HB3 GLU 14 1HB GLU 14 2.841 7.455 -2.205 85 HG2 GLU 14 2HG GLU 14 2.975 9.850 -0.488 86 HG3 GLU 14 1HG GLU 14 3.795 10.028 -2.036 87 H ILE 15 H ILE 15 1.184 6.336 -1.237 88 HA ILE 15 HA ILE 15 -0.999 7.892 -0.588 89 HB ILE 15 HB ILE 15 -0.949 4.880 -0.900 90 HG12 ILE 15 2HG1 ILE 15 -1.076 7.168 -2.879 91 HG13 ILE 15 1HG1 ILE 15 0.125 5.883 -2.804 92 HG21 ILE 15 1HG2 ILE 15 -3.081 5.844 0.001 93 HG22 ILE 15 2HG2 ILE 15 -3.272 5.141 -1.603 94 HG23 ILE 15 3HG2 ILE 15 -3.167 6.889 -1.417 95 HD11 ILE 15 3HD1 ILE 15 -2.640 5.826 -3.890 96 HD12 ILE 15 1HD1 ILE 15 -2.099 4.378 -3.043 97 HD13 ILE 15 2HD1 ILE 15 -1.198 4.970 -4.437 98 H ABA 16 H ABA 16 0.238 5.087 1.201 99 HA ABA 16 HA ABA 16 -1.571 5.742 3.442 100 HB3 ABA 16 1HB ABA 16 -0.917 3.466 4.278 101 HB2 ABA 16 2HB ABA 16 -0.000 3.239 2.790 102 HG1 ABA 16 HG ABA 16 -2.150 3.484 1.472 103 HN1 NH2 17 2H ABA 16 2.396 5.504 4.467 104 HN2 NH2 17 1H ABA 16 1.843 4.577 3.162 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -9.185 2.561 -0.886 2 H2 GLY 1 2HT GLY 1 -10.059 3.209 -2.190 3 H3 GLY 1 3HT GLY 1 -8.783 4.091 -1.496 4 HA2 GLY 1 2HA GLY 1 -8.680 2.245 -3.611 5 HA3 GLY 1 1HA GLY 1 -7.369 3.209 -2.933 6 H CYS 2 H CYS 2 -6.175 1.150 -3.521 7 HA CYS 2 HA CYS 2 -6.598 -1.135 -1.766 8 HB2 CYS 2 2HB CYS 2 -5.950 -1.648 -4.012 9 HB3 CYS 2 1HB CYS 2 -4.574 -0.552 -3.931 10 H ABA 3 H ABA 3 -4.732 1.762 -1.641 11 HA ABA 3 HA ABA 3 -2.370 1.217 -0.466 12 HB3 ABA 3 1HB ABA 3 -4.265 3.195 0.808 13 HB2 ABA 3 2HB ABA 3 -3.410 3.504 -0.705 14 HG1 ABA 3 HG ABA 3 -1.293 3.631 0.450 15 H SER 4 H SER 4 -5.467 1.023 1.286 16 HA SER 4 HA SER 4 -4.444 0.391 3.817 17 HB2 SER 4 2HB SER 4 -6.820 0.996 3.286 18 HB3 SER 4 1HB SER 4 -7.042 -0.643 2.673 19 HG SER 4 HG SER 4 -6.109 -1.251 4.845 20 H ASP 5 H ASP 5 -4.428 -1.549 0.988 21 HA ASP 5 HA ASP 5 -4.583 -4.117 2.233 22 HB2 ASP 5 2HB ASP 5 -4.593 -3.239 -0.361 23 HB3 ASP 5 1HB ASP 5 -2.986 -3.925 -0.236 24 HA PRO 6 HA PRO 6 -0.590 -4.319 4.149 25 HB2 PRO 6 2HB PRO 6 -0.220 -7.078 3.879 26 HB3 PRO 6 1HB PRO 6 -1.100 -6.289 5.200 27 HG2 PRO 6 2HG PRO 6 -2.147 -7.603 2.749 28 HG3 PRO 6 1HG PRO 6 -2.814 -7.572 4.390 29 HD2 PRO 6 2HD PRO 6 -3.847 -6.049 2.408 30 HD3 PRO 6 1HD PRO 6 -3.806 -5.485 4.095 31 H ARG 7 H ARG 7 -1.267 -5.735 1.037 32 HA ARG 7 HA ARG 7 1.524 -5.951 0.272 33 HB2 ARG 7 2HB ARG 7 -1.091 -6.408 -1.173 34 HB3 ARG 7 1HB ARG 7 0.479 -6.571 -1.954 35 HG2 ARG 7 2HG ARG 7 0.465 -7.997 0.570 36 HG3 ARG 7 1HG ARG 7 -0.872 -8.538 -0.448 37 HD2 ARG 7 2HD ARG 7 1.038 -9.893 -1.004 38 HD3 ARG 7 1HD ARG 7 0.778 -8.770 -2.339 39 HE ARG 7 HE ARG 7 2.681 -7.968 -0.249 40 HH11 ARG 7 1HH2 ARG 7 2.100 -9.187 -3.419 41 HH12 ARG 7 2HH2 ARG 7 3.695 -8.832 -3.980 42 HH21 ARG 7 1HH1 ARG 7 4.746 -7.532 -0.996 43 HH22 ARG 7 2HH1 ARG 7 5.157 -7.873 -2.639 44 H CYS 8 H CYS 8 -1.024 -3.671 0.117 45 HA CYS 8 HA CYS 8 0.204 -2.092 -2.018 46 HB2 CYS 8 2HB CYS 8 -2.366 -2.061 -0.544 47 HB3 CYS 8 1HB CYS 8 -1.752 -0.497 -1.066 48 H ASN 9 H ASN 9 -0.309 -1.903 1.499 49 HA ASN 9 HA ASN 9 0.680 0.709 1.869 50 HB2 ASN 9 2HB ASN 9 -0.502 -0.637 3.605 51 HB3 ASN 9 1HB ASN 9 0.956 -1.607 3.794 52 HD21 ASN 9 1HD2 ASN 9 2.525 -0.796 5.219 53 HD22 ASN 9 2HD2 ASN 9 2.509 0.774 5.860 54 H TYR 10 H TYR 10 2.341 -2.182 1.058 55 HA TYR 10 HA TYR 10 4.941 -1.193 1.954 56 HB2 TYR 10 2HB TYR 10 5.098 -3.449 2.202 57 HB3 TYR 10 1HB TYR 10 3.819 -3.764 1.031 58 HD1 TYR 10 2HD TYR 10 7.420 -3.002 1.429 59 HD2 TYR 10 1HD TYR 10 4.309 -4.175 -1.281 60 HE1 TYR 10 2HE TYR 10 9.130 -3.586 -0.273 61 HE2 TYR 10 1HE TYR 10 6.018 -4.766 -2.985 62 HH TYR 10 HH TYR 10 8.600 -3.868 -3.377 63 H ASP 11 H ASP 11 3.047 -1.557 -0.956 64 HA ASP 11 HA ASP 11 5.252 -0.672 -2.666 65 HB2 ASP 11 2HB ASP 11 3.617 -2.520 -3.298 66 HB3 ASP 11 1HB ASP 11 2.404 -1.258 -3.487 67 H HIS 12 H HIS 12 2.180 0.502 -1.371 68 HA HIS 12 HA HIS 12 2.709 3.133 -2.637 69 HB2 HIS 12 2HB HIS 12 0.110 1.831 -1.800 70 HB3 HIS 12 1HB HIS 12 0.245 3.535 -2.209 71 HD2 HIS 12 2HD HIS 12 2.148 0.812 -4.289 72 HE1 HIS 12 1HE HIS 12 -0.784 2.544 -6.767 73 HE2 HIS 12 2HE HIS 12 1.198 0.953 -6.711 74 HA PRO 13 HA PRO 13 3.141 3.491 2.049 75 HB2 PRO 13 2HB PRO 13 5.624 4.696 1.976 76 HB3 PRO 13 1HB PRO 13 5.374 2.946 2.132 77 HG2 PRO 13 2HG PRO 13 6.094 4.548 -0.266 78 HG3 PRO 13 1HG PRO 13 6.644 2.939 0.228 79 HD2 PRO 13 2HD PRO 13 4.760 3.326 -1.713 80 HD3 PRO 13 1HD PRO 13 4.800 1.879 -0.680 81 H GLU 14 H GLU 14 4.279 5.719 -0.470 82 HA GLU 14 HA GLU 14 3.945 8.165 0.836 83 HB2 GLU 14 2HB GLU 14 5.031 7.764 -1.397 84 HB3 GLU 14 1HB GLU 14 3.419 7.616 -2.092 85 HG2 GLU 14 2HG GLU 14 2.874 9.904 -1.310 86 HG3 GLU 14 1HG GLU 14 4.494 10.057 -0.638 87 H ILE 15 H ILE 15 1.609 5.957 -0.395 88 HA ILE 15 HA ILE 15 -0.570 7.907 -0.372 89 HB ILE 15 HB ILE 15 -0.722 4.941 -0.911 90 HG12 ILE 15 2HG1 ILE 15 0.019 7.255 -2.716 91 HG13 ILE 15 1HG1 ILE 15 0.909 5.755 -2.455 92 HG21 ILE 15 1HG2 ILE 15 -2.431 7.218 -1.942 93 HG22 ILE 15 2HG2 ILE 15 -2.825 6.309 -0.483 94 HG23 ILE 15 3HG2 ILE 15 -2.763 5.488 -2.041 95 HD11 ILE 15 3HD1 ILE 15 -1.569 6.232 -4.060 96 HD12 ILE 15 1HD1 ILE 15 -1.314 4.644 -3.338 97 HD13 ILE 15 2HD1 ILE 15 -0.135 5.293 -4.476 98 H ABA 16 H ABA 16 0.434 4.969 1.345 99 HA ABA 16 HA ABA 16 -1.702 5.426 3.336 100 HB3 ABA 16 1HB ABA 16 -1.028 3.069 4.073 101 HB2 ABA 16 2HB ABA 16 -0.071 2.996 2.595 102 HG1 ABA 16 HG ABA 16 -2.962 2.624 2.799 103 HN1 NH2 17 2H ABA 16 1.714 4.686 5.365 104 HN2 NH2 17 1H ABA 16 1.072 3.541 4.289 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -6.180 3.897 -4.849 2 H2 GLY 1 2HT GLY 1 -6.874 2.363 -4.639 3 H3 GLY 1 3HT GLY 1 -5.204 2.577 -4.438 4 HA2 GLY 1 2HA GLY 1 -5.553 3.945 -2.499 5 HA3 GLY 1 1HA GLY 1 -7.294 3.814 -2.731 6 H CYS 2 H CYS 2 -5.057 1.169 -3.318 7 HA CYS 2 HA CYS 2 -6.521 -0.549 -1.515 8 HB2 CYS 2 2HB CYS 2 -4.789 -2.244 -2.209 9 HB3 CYS 2 1HB CYS 2 -5.715 -1.540 -3.531 10 H ABA 3 H ABA 3 -4.337 1.760 -0.870 11 HA ABA 3 HA ABA 3 -2.218 1.102 0.551 12 HB3 ABA 3 1HB ABA 3 -4.103 2.638 2.239 13 HB2 ABA 3 2HB ABA 3 -3.865 3.260 0.608 14 HG1 ABA 3 HG ABA 3 -1.464 3.588 1.034 15 H SER 4 H SER 4 -5.491 0.376 1.735 16 HA SER 4 HA SER 4 -4.795 -0.604 4.277 17 HB2 SER 4 2HB SER 4 -7.002 -1.991 3.853 18 HB3 SER 4 1HB SER 4 -7.060 -0.241 4.070 19 HG SER 4 HG SER 4 -7.350 -1.796 1.748 20 H ASP 5 H ASP 5 -4.644 -2.140 1.136 21 HA ASP 5 HA ASP 5 -4.555 -4.830 2.027 22 HB2 ASP 5 2HB ASP 5 -4.370 -3.441 -0.454 23 HB3 ASP 5 1HB ASP 5 -2.997 -4.535 -0.347 24 HA PRO 6 HA PRO 6 -0.611 -4.898 4.109 25 HB2 PRO 6 2HB PRO 6 -0.193 -7.653 3.532 26 HB3 PRO 6 1HB PRO 6 -0.884 -6.964 5.011 27 HG2 PRO 6 2HG PRO 6 -2.237 -8.175 2.686 28 HG3 PRO 6 1HG PRO 6 -2.748 -8.086 4.379 29 HD2 PRO 6 2HD PRO 6 -3.890 -6.566 2.444 30 HD3 PRO 6 1HD PRO 6 -3.718 -5.989 4.119 31 H ARG 7 H ARG 7 -1.151 -6.093 0.867 32 HA ARG 7 HA ARG 7 1.702 -5.994 0.218 33 HB2 ARG 7 2HB ARG 7 -0.592 -7.412 -0.807 34 HB3 ARG 7 1HB ARG 7 0.167 -6.497 -2.109 35 HG2 ARG 7 2HG ARG 7 1.555 -8.451 -0.249 36 HG3 ARG 7 1HG ARG 7 1.194 -8.709 -1.955 37 HD2 ARG 7 2HD ARG 7 3.230 -7.841 -2.390 38 HD3 ARG 7 1HD ARG 7 2.545 -6.279 -1.942 39 HE ARG 7 HE ARG 7 3.325 -7.553 0.438 40 HH11 ARG 7 1HH2 ARG 7 4.698 -6.245 -2.433 41 HH12 ARG 7 2HH2 ARG 7 6.236 -5.937 -1.703 42 HH21 ARG 7 1HH1 ARG 7 5.306 -7.123 1.369 43 HH22 ARG 7 2HH1 ARG 7 6.573 -6.405 0.431 44 H CYS 8 H CYS 8 -0.961 -3.975 0.260 45 HA CYS 8 HA CYS 8 0.000 -2.275 -1.951 46 HB2 CYS 8 2HB CYS 8 -2.412 -2.806 -1.869 47 HB3 CYS 8 1HB CYS 8 -2.506 -2.066 -0.272 48 H ASN 9 H ASN 9 -0.620 -2.253 1.535 49 HA ASN 9 HA ASN 9 -0.109 0.426 2.120 50 HB2 ASN 9 2HB ASN 9 -0.892 -1.338 3.732 51 HB3 ASN 9 1HB ASN 9 0.761 -1.936 3.802 52 HD21 ASN 9 1HD2 ASN 9 2.269 -0.762 5.074 53 HD22 ASN 9 2HD2 ASN 9 1.851 0.619 5.966 54 H TYR 10 H TYR 10 2.062 -2.083 1.185 55 HA TYR 10 HA TYR 10 4.436 -0.491 1.846 56 HB2 TYR 10 2HB TYR 10 4.079 -3.319 0.830 57 HB3 TYR 10 1HB TYR 10 5.648 -2.559 1.095 58 HD1 TYR 10 2HD TYR 10 2.396 -3.174 2.857 59 HD2 TYR 10 1HD TYR 10 6.655 -2.753 3.200 60 HE1 TYR 10 2HE TYR 10 2.260 -3.742 5.269 61 HE2 TYR 10 1HE TYR 10 6.514 -3.320 5.613 62 HH TYR 10 HH TYR 10 4.871 -4.641 7.092 63 H ASP 11 H ASP 11 2.422 -1.402 -0.804 64 HA ASP 11 HA ASP 11 4.370 -0.678 -2.848 65 HB2 ASP 11 2HB ASP 11 2.338 -2.447 -2.877 66 HB3 ASP 11 1HB ASP 11 1.501 -1.051 -3.532 67 H HIS 12 H HIS 12 1.693 0.745 -1.120 68 HA HIS 12 HA HIS 12 1.995 3.225 -2.732 69 HB2 HIS 12 2HB HIS 12 -0.412 2.183 -1.216 70 HB3 HIS 12 1HB HIS 12 -0.306 3.787 -1.925 71 HD2 HIS 12 2HD HIS 12 0.059 0.100 -3.319 72 HE1 HIS 12 1HE HIS 12 -1.665 2.528 -6.296 73 HE2 HIS 12 2HE HIS 12 -0.903 0.170 -5.747 74 HA PRO 13 HA PRO 13 3.456 3.851 1.712 75 HB2 PRO 13 2HB PRO 13 5.846 5.045 0.983 76 HB3 PRO 13 1HB PRO 13 5.649 3.316 1.326 77 HG2 PRO 13 2HG PRO 13 5.783 4.723 -1.290 78 HG3 PRO 13 1HG PRO 13 6.434 3.144 -0.818 79 HD2 PRO 13 2HD PRO 13 4.159 3.409 -2.293 80 HD3 PRO 13 1HD PRO 13 4.425 2.055 -1.173 81 H GLU 14 H GLU 14 4.030 6.033 -1.056 82 HA GLU 14 HA GLU 14 3.912 8.456 0.381 83 HB2 GLU 14 2HB GLU 14 3.361 7.793 -2.514 84 HB3 GLU 14 1HB GLU 14 3.360 9.443 -1.888 85 HG2 GLU 14 2HG GLU 14 5.657 9.366 -1.335 86 HG3 GLU 14 1HG GLU 14 5.701 7.606 -1.380 87 H ILE 15 H ILE 15 1.468 6.240 -0.340 88 HA ILE 15 HA ILE 15 -0.696 8.222 -0.212 89 HB ILE 15 HB ILE 15 -0.832 5.217 -0.567 90 HG12 ILE 15 2HG1 ILE 15 -0.837 7.511 -2.550 91 HG13 ILE 15 1HG1 ILE 15 0.334 6.197 -2.448 92 HG21 ILE 15 1HG2 ILE 15 -3.125 5.671 -1.306 93 HG22 ILE 15 2HG2 ILE 15 -2.890 7.397 -1.041 94 HG23 ILE 15 3HG2 ILE 15 -2.893 6.288 0.330 95 HD11 ILE 15 3HD1 ILE 15 -2.461 6.168 -3.494 96 HD12 ILE 15 1HD1 ILE 15 -1.855 4.705 -2.724 97 HD13 ILE 15 2HD1 ILE 15 -1.023 5.373 -4.126 98 H ABA 16 H ABA 16 0.164 5.151 1.387 99 HA ABA 16 HA ABA 16 -1.580 5.709 3.629 100 HB3 ABA 16 1HB ABA 16 -0.307 3.581 4.502 101 HB2 ABA 16 2HB ABA 16 0.249 3.471 2.832 102 HG1 ABA 16 HG ABA 16 -2.507 2.942 3.838 103 HN1 NH2 17 2H ABA 16 2.301 6.542 4.589 104 HN2 NH2 17 1H ABA 16 1.956 5.838 3.086 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -9.678 2.752 -2.504 2 H2 GLY 1 2HT GLY 1 -9.185 1.354 -1.674 3 H3 GLY 1 3HT GLY 1 -8.870 1.512 -3.330 4 HA2 GLY 1 2HA GLY 1 -7.301 3.237 -2.979 5 HA3 GLY 1 1HA GLY 1 -7.746 3.330 -1.275 6 H CYS 2 H CYS 2 -5.422 2.239 -3.267 7 HA CYS 2 HA CYS 2 -4.690 -0.318 -2.829 8 HB2 CYS 2 2HB CYS 2 -3.361 1.726 -3.827 9 HB3 CYS 2 1HB CYS 2 -2.624 1.771 -2.229 10 H ABA 3 H ABA 3 -4.189 2.290 -0.441 11 HA ABA 3 HA ABA 3 -2.890 0.884 1.542 12 HB3 ABA 3 1HB ABA 3 -4.513 2.473 3.046 13 HB2 ABA 3 2HB ABA 3 -4.627 3.265 1.472 14 HG1 ABA 3 HG ABA 3 -2.338 3.930 1.598 15 H SER 4 H SER 4 -6.050 0.251 0.402 16 HA SER 4 HA SER 4 -7.245 -0.803 2.754 17 HB2 SER 4 2HB SER 4 -8.771 -1.945 1.255 18 HB3 SER 4 1HB SER 4 -8.468 -0.326 0.627 19 HG SER 4 HG SER 4 -6.971 -2.608 -0.176 20 H ASP 5 H ASP 5 -4.801 -1.972 0.598 21 HA ASP 5 HA ASP 5 -4.923 -4.688 1.729 22 HB2 ASP 5 2HB ASP 5 -4.229 -3.610 -0.826 23 HB3 ASP 5 1HB ASP 5 -2.808 -4.409 -0.164 24 HA PRO 6 HA PRO 6 -1.608 -3.773 4.526 25 HB2 PRO 6 2HB PRO 6 -0.636 -6.330 4.868 26 HB3 PRO 6 1HB PRO 6 -2.095 -5.708 5.661 27 HG2 PRO 6 2HG PRO 6 -1.846 -7.430 3.244 28 HG3 PRO 6 1HG PRO 6 -3.020 -7.502 4.570 29 HD2 PRO 6 2HD PRO 6 -3.628 -6.423 2.146 30 HD3 PRO 6 1HD PRO 6 -4.359 -5.840 3.659 31 H ARG 7 H ARG 7 -1.085 -5.436 1.515 32 HA ARG 7 HA ARG 7 1.814 -5.128 1.637 33 HB2 ARG 7 2HB ARG 7 0.058 -6.836 0.246 34 HB3 ARG 7 1HB ARG 7 0.812 -5.819 -0.983 35 HG2 ARG 7 2HG ARG 7 2.400 -7.510 -0.801 36 HG3 ARG 7 1HG ARG 7 3.027 -6.353 0.372 37 HD2 ARG 7 2HD ARG 7 1.130 -8.592 1.115 38 HD3 ARG 7 1HD ARG 7 2.884 -8.760 1.184 39 HE ARG 7 HE ARG 7 2.544 -6.558 2.671 40 HH11 ARG 7 1HH2 ARG 7 0.846 -9.549 2.636 41 HH12 ARG 7 2HH2 ARG 7 0.376 -9.446 4.296 42 HH21 ARG 7 1HH1 ARG 7 1.934 -6.443 4.819 43 HH22 ARG 7 2HH1 ARG 7 0.985 -7.705 5.513 44 H CYS 8 H CYS 8 -0.925 -3.403 0.500 45 HA CYS 8 HA CYS 8 0.195 -1.902 -1.596 46 HB2 CYS 8 2HB CYS 8 -2.058 -1.497 0.300 47 HB3 CYS 8 1HB CYS 8 -1.460 -0.078 -0.557 48 H ASN 9 H ASN 9 0.618 -1.638 1.870 49 HA ASN 9 HA ASN 9 1.705 0.987 1.915 50 HB2 ASN 9 2HB ASN 9 0.894 -0.480 3.891 51 HB3 ASN 9 1HB ASN 9 2.511 -1.179 3.845 52 HD21 ASN 9 1HD2 ASN 9 3.615 -0.197 5.552 53 HD22 ASN 9 2HD2 ASN 9 3.664 1.475 5.827 54 H TYR 10 H TYR 10 2.921 -1.976 0.777 55 HA TYR 10 HA TYR 10 5.730 -1.154 0.980 56 HB2 TYR 10 2HB TYR 10 4.403 -3.648 -0.110 57 HB3 TYR 10 1HB TYR 10 6.142 -3.375 -0.103 58 HD1 TYR 10 2HD TYR 10 3.165 -3.476 2.171 59 HD2 TYR 10 1HD TYR 10 7.422 -3.925 1.795 60 HE1 TYR 10 2HE TYR 10 3.286 -4.314 4.506 61 HE2 TYR 10 1HE TYR 10 7.536 -4.765 4.130 62 HH TYR 10 HH TYR 10 5.982 -4.430 6.277 63 H ASP 11 H ASP 11 3.125 -1.501 -1.318 64 HA ASP 11 HA ASP 11 4.853 -0.823 -3.586 65 HB2 ASP 11 2HB ASP 11 2.485 -2.334 -3.260 66 HB3 ASP 11 1HB ASP 11 2.058 -0.946 -4.253 67 H HIS 12 H HIS 12 2.172 0.564 -1.721 68 HA HIS 12 HA HIS 12 2.649 3.150 -3.104 69 HB2 HIS 12 2HB HIS 12 0.078 1.875 -2.177 70 HB3 HIS 12 1HB HIS 12 0.203 3.604 -2.459 71 HD2 HIS 12 2HD HIS 12 0.463 0.278 -4.543 72 HE1 HIS 12 1HE HIS 12 -0.006 3.505 -7.217 73 HE2 HIS 12 2HE HIS 12 0.125 0.975 -7.039 74 HA PRO 13 HA PRO 13 3.437 3.220 1.662 75 HB2 PRO 13 2HB PRO 13 5.789 4.720 0.602 76 HB3 PRO 13 1HB PRO 13 5.703 3.537 1.921 77 HG2 PRO 13 2HG PRO 13 6.725 2.949 -0.495 78 HG3 PRO 13 1HG PRO 13 5.898 1.755 0.516 79 HD2 PRO 13 2HD PRO 13 4.974 3.044 -1.989 80 HD3 PRO 13 1HD PRO 13 4.479 1.505 -1.254 81 H GLU 14 H GLU 14 4.212 5.730 -0.760 82 HA GLU 14 HA GLU 14 3.790 8.005 0.760 83 HB2 GLU 14 2HB GLU 14 3.392 7.439 -2.173 84 HB3 GLU 14 1HB GLU 14 3.141 9.049 -1.497 85 HG2 GLU 14 2HG GLU 14 5.662 7.701 -0.693 86 HG3 GLU 14 1HG GLU 14 5.556 8.164 -2.389 87 H ILE 15 H ILE 15 1.417 5.758 -0.360 88 HA ILE 15 HA ILE 15 -0.795 7.655 -0.080 89 HB ILE 15 HB ILE 15 -0.853 4.695 -0.698 90 HG12 ILE 15 2HG1 ILE 15 -0.639 7.159 -2.438 91 HG13 ILE 15 1HG1 ILE 15 0.405 5.739 -2.439 92 HG21 ILE 15 1HG2 ILE 15 -3.087 5.271 -1.620 93 HG22 ILE 15 2HG2 ILE 15 -2.885 6.923 -1.046 94 HG23 ILE 15 3HG2 ILE 15 -2.991 5.595 0.109 95 HD11 ILE 15 3HD1 ILE 15 -0.991 5.442 -4.329 96 HD12 ILE 15 1HD1 ILE 15 -2.427 5.974 -3.455 97 HD13 ILE 15 2HD1 ILE 15 -1.701 4.408 -3.092 98 H ABA 16 H ABA 16 0.465 4.765 1.515 99 HA ABA 16 HA ABA 16 -1.564 5.023 3.637 100 HB3 ABA 16 1HB ABA 16 -0.125 2.825 4.319 101 HB2 ABA 16 2HB ABA 16 0.122 2.836 2.576 102 HG1 ABA 16 HG ABA 16 -2.192 1.783 3.772 103 HN1 NH2 17 2H ABA 16 2.240 5.890 4.785 104 HN2 NH2 17 1H ABA 16 1.915 5.471 3.172 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -6.805 3.958 -3.030 2 H2 GLY 1 2HT GLY 1 -6.099 3.485 -1.564 3 H3 GLY 1 3HT GLY 1 -7.449 4.508 -1.563 4 HA2 GLY 1 2HA GLY 1 -8.585 2.618 -1.168 5 HA3 GLY 1 1HA GLY 1 -8.443 2.435 -2.915 6 H CYS 2 H CYS 2 -6.072 1.603 -3.502 7 HA CYS 2 HA CYS 2 -5.910 -1.078 -2.636 8 HB2 CYS 2 2HB CYS 2 -4.987 -0.312 -4.790 9 HB3 CYS 2 1HB CYS 2 -3.755 0.612 -3.928 10 H ABA 3 H ABA 3 -4.129 1.815 -1.631 11 HA ABA 3 HA ABA 3 -2.094 0.810 -0.112 12 HB3 ABA 3 1HB ABA 3 -3.812 2.996 1.018 13 HB2 ABA 3 2HB ABA 3 -2.884 3.255 -0.459 14 HG1 ABA 3 HG ABA 3 -0.781 2.940 0.752 15 H SER 4 H SER 4 -5.494 0.592 0.572 16 HA SER 4 HA SER 4 -5.509 0.073 3.321 17 HB2 SER 4 2HB SER 4 -7.579 -1.240 2.838 18 HB3 SER 4 1HB SER 4 -7.573 0.349 2.076 19 HG SER 4 HG SER 4 -7.413 -0.554 0.152 20 H ASP 5 H ASP 5 -4.853 -2.070 0.582 21 HA ASP 5 HA ASP 5 -4.705 -4.486 2.062 22 HB2 ASP 5 2HB ASP 5 -4.334 -3.647 -0.650 23 HB3 ASP 5 1HB ASP 5 -2.954 -4.627 -0.179 24 HA PRO 6 HA PRO 6 -0.958 -3.728 4.369 25 HB2 PRO 6 2HB PRO 6 -0.308 -6.497 4.493 26 HB3 PRO 6 1HB PRO 6 -1.155 -5.543 5.720 27 HG2 PRO 6 2HG PRO 6 -2.236 -7.378 3.683 28 HG3 PRO 6 1HG PRO 6 -2.887 -6.933 5.269 29 HD2 PRO 6 2HD PRO 6 -3.965 -6.017 2.947 30 HD3 PRO 6 1HD PRO 6 -3.979 -5.050 4.443 31 H ARG 7 H ARG 7 -1.169 -5.777 1.532 32 HA ARG 7 HA ARG 7 1.662 -5.811 0.995 33 HB2 ARG 7 2HB ARG 7 -0.767 -6.936 -0.186 34 HB3 ARG 7 1HB ARG 7 0.387 -6.380 -1.400 35 HG2 ARG 7 2HG ARG 7 1.062 -8.222 0.915 36 HG3 ARG 7 1HG ARG 7 0.780 -8.750 -0.742 37 HD2 ARG 7 2HD ARG 7 3.034 -8.499 -0.950 38 HD3 ARG 7 1HD ARG 7 2.628 -6.794 -1.160 39 HE ARG 7 HE ARG 7 2.950 -7.527 1.616 40 HH11 ARG 7 1HH2 ARG 7 4.584 -6.605 -1.281 41 HH12 ARG 7 2HH2 ARG 7 5.964 -5.990 -0.437 42 HH21 ARG 7 1HH1 ARG 7 4.714 -6.698 2.669 43 HH22 ARG 7 2HH1 ARG 7 6.035 -6.038 1.770 44 H CYS 8 H CYS 8 -1.007 -3.751 0.290 45 HA CYS 8 HA CYS 8 0.363 -2.310 -1.834 46 HB2 CYS 8 2HB CYS 8 -2.272 -2.670 -1.285 47 HB3 CYS 8 1HB CYS 8 -2.005 -1.079 -0.581 48 H ASN 9 H ASN 9 -0.202 -2.003 1.607 49 HA ASN 9 HA ASN 9 0.366 0.680 2.026 50 HB2 ASN 9 2HB ASN 9 -0.283 -1.117 3.747 51 HB3 ASN 9 1HB ASN 9 1.437 -1.486 3.831 52 HD21 ASN 9 1HD2 ASN 9 2.541 1.123 3.647 53 HD22 ASN 9 2HD2 ASN 9 2.046 2.013 5.005 54 H TYR 10 H TYR 10 2.511 -1.926 1.214 55 HA TYR 10 HA TYR 10 4.900 -0.256 1.567 56 HB2 TYR 10 2HB TYR 10 4.485 -3.162 0.845 57 HB3 TYR 10 1HB TYR 10 6.069 -2.383 0.847 58 HD1 TYR 10 1HD TYR 10 3.114 -3.154 2.970 59 HD2 TYR 10 2HD TYR 10 7.253 -2.021 2.876 60 HE1 TYR 10 1HE TYR 10 3.257 -3.462 5.432 61 HE2 TYR 10 2HE TYR 10 7.392 -2.333 5.336 62 HH TYR 10 HH TYR 10 6.183 -3.634 7.089 63 H ASP 11 H ASP 11 2.762 -1.527 -0.824 64 HA ASP 11 HA ASP 11 4.441 -1.062 -3.111 65 HB2 ASP 11 2HB ASP 11 2.158 -2.505 -2.651 66 HB3 ASP 11 1HB ASP 11 1.516 -1.107 -3.503 67 H HIS 12 H HIS 12 2.103 0.753 -1.253 68 HA HIS 12 HA HIS 12 2.685 3.152 -2.893 69 HB2 HIS 12 2HB HIS 12 0.015 2.073 -2.031 70 HB3 HIS 12 1HB HIS 12 0.238 3.802 -2.261 71 HD2 HIS 12 2HD HIS 12 0.878 0.577 -4.474 72 HE1 HIS 12 1HE HIS 12 -0.096 3.818 -6.994 73 HE2 HIS 12 2HE HIS 12 0.435 1.330 -6.937 74 HA PRO 13 HA PRO 13 3.575 3.582 1.772 75 HB2 PRO 13 2HB PRO 13 5.834 5.083 0.528 76 HB3 PRO 13 1HB PRO 13 5.843 3.967 1.908 77 HG2 PRO 13 2HG PRO 13 6.777 3.245 -0.485 78 HG3 PRO 13 1HG PRO 13 5.933 2.105 0.577 79 HD2 PRO 13 2HD PRO 13 4.961 3.417 -1.922 80 HD3 PRO 13 1HD PRO 13 4.534 1.837 -1.232 81 H GLU 14 H GLU 14 3.826 5.898 -0.907 82 HA GLU 14 HA GLU 14 3.525 8.266 0.586 83 HB2 GLU 14 2HB GLU 14 2.817 7.639 -2.288 84 HB3 GLU 14 1HB GLU 14 2.833 9.262 -1.599 85 HG2 GLU 14 2HG GLU 14 5.228 8.914 -0.947 86 HG3 GLU 14 1HG GLU 14 5.193 7.360 -1.773 87 H ILE 15 H ILE 15 1.247 5.837 -0.225 88 HA ILE 15 HA ILE 15 -1.054 7.620 0.231 89 HB ILE 15 HB ILE 15 -1.046 4.688 -0.519 90 HG12 ILE 15 2HG1 ILE 15 -1.104 7.197 -2.215 91 HG13 ILE 15 1HG1 ILE 15 0.095 5.907 -2.267 92 HG21 ILE 15 1HG2 ILE 15 -3.134 5.585 0.481 93 HG22 ILE 15 2HG2 ILE 15 -3.350 5.170 -1.218 94 HG23 ILE 15 3HG2 ILE 15 -3.159 6.856 -0.738 95 HD11 ILE 15 3HD1 ILE 15 -2.815 5.734 -3.070 96 HD12 ILE 15 1HD1 ILE 15 -1.773 4.324 -2.890 97 HD13 ILE 15 2HD1 ILE 15 -1.402 5.542 -4.109 98 H ABA 16 H ABA 16 0.552 4.772 1.537 99 HA ABA 16 HA ABA 16 -1.067 5.032 4.012 100 HB3 ABA 16 1HB ABA 16 -0.737 2.638 4.363 101 HB2 ABA 16 2HB ABA 16 0.228 2.536 2.895 102 HG1 ABA 16 HG ABA 16 -2.760 2.753 3.080 103 HN1 NH2 17 2H ABA 16 2.924 4.151 4.404 104 HN2 NH2 17 1H ABA 16 2.076 3.522 3.082 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -9.267 1.342 -2.408 2 H2 GLY 1 2HT GLY 1 -8.344 2.348 -3.419 3 H3 GLY 1 3HT GLY 1 -9.671 2.979 -2.569 4 HA2 GLY 1 2HA GLY 1 -7.546 3.606 -1.546 5 HA3 GLY 1 1HA GLY 1 -8.565 2.653 -0.470 6 H CYS 2 H CYS 2 -5.868 2.404 -2.781 7 HA CYS 2 HA CYS 2 -5.119 -0.230 -2.471 8 HB2 CYS 2 2HB CYS 2 -3.980 1.964 -3.664 9 HB3 CYS 2 1HB CYS 2 -2.823 1.603 -2.385 10 H ABA 3 H ABA 3 -4.596 2.428 -0.224 11 HA ABA 3 HA ABA 3 -2.742 1.222 1.509 12 HB3 ABA 3 1HB ABA 3 -4.373 2.782 3.141 13 HB2 ABA 3 2HB ABA 3 -4.522 3.530 1.554 14 HG1 ABA 3 HG ABA 3 -2.061 3.866 1.459 15 H SER 4 H SER 4 -5.771 0.116 0.750 16 HA SER 4 HA SER 4 -6.570 -0.833 3.372 17 HB2 SER 4 2HB SER 4 -8.178 -0.242 1.508 18 HB3 SER 4 1HB SER 4 -7.640 -1.702 0.680 19 HG SER 4 HG SER 4 -8.153 -2.724 2.843 20 H ASP 5 H ASP 5 -4.404 -1.888 0.956 21 HA ASP 5 HA ASP 5 -4.451 -4.637 2.064 22 HB2 ASP 5 2HB ASP 5 -4.752 -3.892 -0.583 23 HB3 ASP 5 1HB ASP 5 -3.060 -4.329 -0.484 24 HA PRO 6 HA PRO 6 -0.496 -3.280 3.813 25 HB2 PRO 6 2HB PRO 6 -0.336 -6.259 4.113 26 HB3 PRO 6 1HB PRO 6 0.008 -4.989 5.304 27 HG2 PRO 6 2HG PRO 6 -2.249 -6.425 5.375 28 HG3 PRO 6 1HG PRO 6 -2.198 -4.721 5.858 29 HD2 PRO 6 2HD PRO 6 -3.391 -5.942 3.428 30 HD3 PRO 6 1HD PRO 6 -3.793 -4.411 4.237 31 H ARG 7 H ARG 7 -1.205 -5.643 1.364 32 HA ARG 7 HA ARG 7 1.461 -6.116 0.461 33 HB2 ARG 7 2HB ARG 7 -1.292 -6.634 -0.585 34 HB3 ARG 7 1HB ARG 7 0.053 -6.703 -1.721 35 HG2 ARG 7 2HG ARG 7 -0.366 -8.930 -0.783 36 HG3 ARG 7 1HG ARG 7 1.204 -8.334 -0.244 37 HD2 ARG 7 2HD ARG 7 -0.080 -9.369 1.609 38 HD3 ARG 7 1HD ARG 7 0.246 -7.663 1.910 39 HE ARG 7 HE ARG 7 -2.196 -7.520 0.777 40 HH11 ARG 7 1HH2 ARG 7 -0.944 -9.645 3.181 41 HH12 ARG 7 2HH2 ARG 7 -2.468 -9.843 3.965 42 HH21 ARG 7 1HH1 ARG 7 -4.127 -7.768 1.794 43 HH22 ARG 7 2HH1 ARG 7 -4.264 -8.790 3.191 44 H CYS 8 H CYS 8 -0.998 -3.748 -0.221 45 HA CYS 8 HA CYS 8 0.586 -2.546 -2.377 46 HB2 CYS 8 2HB CYS 8 -1.948 -2.666 -2.436 47 HB3 CYS 8 1HB CYS 8 -1.952 -1.470 -1.140 48 H ASN 9 H ASN 9 -0.398 -1.910 0.948 49 HA ASN 9 HA ASN 9 0.572 0.708 1.223 50 HB2 ASN 9 2HB ASN 9 0.529 -1.501 3.291 51 HB3 ASN 9 1HB ASN 9 0.688 0.219 3.635 52 HD21 ASN 9 1HD2 ASN 9 -1.332 0.519 4.705 53 HD22 ASN 9 2HD2 ASN 9 -2.826 0.280 3.933 54 H TYR 10 H TYR 10 2.260 -2.317 1.085 55 HA TYR 10 HA TYR 10 4.749 -1.290 2.138 56 HB2 TYR 10 2HB TYR 10 4.861 -3.533 2.470 57 HB3 TYR 10 1HB TYR 10 3.696 -3.876 1.194 58 HD1 TYR 10 1HD TYR 10 7.255 -3.339 1.977 59 HD2 TYR 10 2HD TYR 10 4.410 -4.215 -1.117 60 HE1 TYR 10 1HE TYR 10 9.107 -4.006 0.460 61 HE2 TYR 10 2HE TYR 10 6.263 -4.883 -2.631 62 HH TYR 10 HH TYR 10 8.461 -5.420 -2.710 63 H ASP 11 H ASP 11 3.276 -1.822 -1.001 64 HA ASP 11 HA ASP 11 5.687 -1.047 -2.444 65 HB2 ASP 11 2HB ASP 11 4.112 -2.812 -3.279 66 HB3 ASP 11 1HB ASP 11 2.906 -1.554 -3.524 67 H HIS 12 H HIS 12 2.652 0.384 -1.410 68 HA HIS 12 HA HIS 12 3.505 2.916 -2.692 69 HB2 HIS 12 2HB HIS 12 0.802 1.635 -2.543 70 HB3 HIS 12 1HB HIS 12 0.941 3.384 -2.660 71 HD2 HIS 12 2HD HIS 12 1.842 0.223 -4.798 72 HE1 HIS 12 1HE HIS 12 2.228 3.636 -7.255 73 HE2 HIS 12 2HE HIS 12 2.288 1.092 -7.226 74 HA PRO 13 HA PRO 13 3.151 3.583 1.908 75 HB2 PRO 13 2HB PRO 13 5.482 5.054 2.067 76 HB3 PRO 13 1HB PRO 13 5.396 3.298 2.298 77 HG2 PRO 13 2HG PRO 13 6.232 4.851 -0.098 78 HG3 PRO 13 1HG PRO 13 6.896 3.348 0.566 79 HD2 PRO 13 2HD PRO 13 5.247 3.378 -1.605 80 HD3 PRO 13 1HD PRO 13 5.291 2.023 -0.455 81 H GLU 14 H GLU 14 4.200 5.779 -0.679 82 HA GLU 14 HA GLU 14 3.567 8.248 0.469 83 HB2 GLU 14 2HB GLU 14 3.990 7.200 -2.256 84 HB3 GLU 14 1HB GLU 14 2.982 8.645 -2.179 85 HG2 GLU 14 2HG GLU 14 5.365 8.774 -0.446 86 HG3 GLU 14 1HG GLU 14 5.744 8.646 -2.159 87 H ILE 15 H ILE 15 1.460 5.737 -0.367 88 HA ILE 15 HA ILE 15 -0.866 7.454 -0.830 89 HB ILE 15 HB ILE 15 -0.555 4.444 -0.739 90 HG12 ILE 15 2HG1 ILE 15 -0.701 6.493 -2.954 91 HG13 ILE 15 1HG1 ILE 15 0.606 5.360 -2.629 92 HG21 ILE 15 1HG2 ILE 15 -2.897 6.173 -1.607 93 HG22 ILE 15 2HG2 ILE 15 -2.849 5.177 -0.151 94 HG23 ILE 15 3HG2 ILE 15 -2.810 4.417 -1.741 95 HD11 ILE 15 3HD1 ILE 15 -1.276 3.549 -2.934 96 HD12 ILE 15 1HD1 ILE 15 -0.515 4.267 -4.353 97 HD13 ILE 15 2HD1 ILE 15 -2.097 4.834 -3.818 98 H ABA 16 H ABA 16 0.508 5.373 1.605 99 HA ABA 16 HA ABA 16 -1.767 5.947 3.412 100 HB3 ABA 16 1HB ABA 16 -0.351 4.032 4.713 101 HB2 ABA 16 2HB ABA 16 0.028 3.625 3.039 102 HG1 ABA 16 HG ABA 16 -2.466 3.034 4.373 103 HN1 NH2 17 2H ABA 16 1.901 7.247 4.563 104 HN2 NH2 17 1H ABA 16 1.712 6.437 3.083 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -6.971 4.188 0.932 2 H2 GLY 1 2HT GLY 1 -7.911 2.947 1.601 3 H3 GLY 1 3HT GLY 1 -8.650 4.374 1.057 4 HA2 GLY 1 2HA GLY 1 -9.058 2.709 -0.577 5 HA3 GLY 1 1HA GLY 1 -7.884 3.848 -1.234 6 H CYS 2 H CYS 2 -6.120 2.928 -2.159 7 HA CYS 2 HA CYS 2 -5.597 0.234 -2.373 8 HB2 CYS 2 2HB CYS 2 -4.377 2.309 -3.449 9 HB3 CYS 2 1HB CYS 2 -3.241 2.064 -2.121 10 H ABA 3 H ABA 3 -5.023 2.280 0.355 11 HA ABA 3 HA ABA 3 -3.071 0.867 1.773 12 HB3 ABA 3 1HB ABA 3 -4.941 1.730 3.683 13 HB2 ABA 3 2HB ABA 3 -5.099 2.873 2.353 14 HG1 ABA 3 HG ABA 3 -2.960 2.872 4.279 15 H SER 4 H SER 4 -6.233 -0.040 0.884 16 HA SER 4 HA SER 4 -7.049 -1.758 2.927 17 HB2 SER 4 2HB SER 4 -7.944 -3.093 0.762 18 HB3 SER 4 1HB SER 4 -8.705 -1.621 1.358 19 HG SER 4 HG SER 4 -7.433 -0.442 -0.131 20 H ASP 5 H ASP 5 -4.761 -2.263 0.291 21 HA ASP 5 HA ASP 5 -4.242 -5.002 1.216 22 HB2 ASP 5 2HB ASP 5 -4.463 -4.351 -1.261 23 HB3 ASP 5 1HB ASP 5 -2.876 -3.631 -1.086 24 HA PRO 6 HA PRO 6 -0.917 -3.251 3.689 25 HB2 PRO 6 2HB PRO 6 -0.215 -6.130 3.948 26 HB3 PRO 6 1HB PRO 6 -0.471 -4.914 5.213 27 HG2 PRO 6 2HG PRO 6 -2.271 -6.837 4.699 28 HG3 PRO 6 1HG PRO 6 -2.737 -5.216 5.242 29 HD2 PRO 6 2HD PRO 6 -2.956 -6.424 2.518 30 HD3 PRO 6 1HD PRO 6 -3.982 -5.201 3.303 31 H ARG 7 H ARG 7 -0.812 -5.443 0.993 32 HA ARG 7 HA ARG 7 2.047 -5.310 0.622 33 HB2 ARG 7 2HB ARG 7 -0.233 -6.282 -1.093 34 HB3 ARG 7 1HB ARG 7 1.415 -6.207 -1.700 35 HG2 ARG 7 2HG ARG 7 2.150 -7.919 -0.346 36 HG3 ARG 7 1HG ARG 7 1.011 -7.529 0.943 37 HD2 ARG 7 2HD ARG 7 0.317 -8.846 -1.700 38 HD3 ARG 7 1HD ARG 7 0.398 -9.650 -0.129 39 HE ARG 7 HE ARG 7 -1.408 -7.363 -0.220 40 HH11 ARG 7 1HH2 ARG 7 -1.061 -10.748 -0.750 41 HH12 ARG 7 2HH2 ARG 7 -2.723 -11.089 -0.421 42 HH21 ARG 7 1HH1 ARG 7 -3.521 -7.804 0.157 43 HH22 ARG 7 2HH1 ARG 7 -4.114 -9.429 0.090 44 H CYS 8 H CYS 8 -0.788 -3.595 -0.509 45 HA CYS 8 HA CYS 8 0.639 -2.037 -2.477 46 HB2 CYS 8 2HB CYS 8 -1.772 -2.337 -2.719 47 HB3 CYS 8 1HB CYS 8 -2.049 -1.555 -1.161 48 H ASN 9 H ASN 9 -0.473 -1.501 0.839 49 HA ASN 9 HA ASN 9 0.560 1.166 0.977 50 HB2 ASN 9 2HB ASN 9 -0.758 1.171 2.793 51 HB3 ASN 9 1HB ASN 9 -1.013 -0.560 2.622 52 HD21 ASN 9 1HD2 ASN 9 0.815 1.890 4.368 53 HD22 ASN 9 2HD2 ASN 9 1.515 0.817 5.479 54 H TYR 10 H TYR 10 1.990 -1.926 1.190 55 HA TYR 10 HA TYR 10 4.283 -1.039 2.749 56 HB2 TYR 10 2HB TYR 10 3.876 -3.261 3.235 57 HB3 TYR 10 1HB TYR 10 3.301 -3.615 1.605 58 HD1 TYR 10 1HD TYR 10 4.833 -4.061 -0.209 59 HD2 TYR 10 2HD TYR 10 6.277 -3.244 3.747 60 HE1 TYR 10 1HE TYR 10 7.082 -4.904 -0.855 61 HE2 TYR 10 2HE TYR 10 8.526 -4.081 3.106 62 HH TYR 10 HH TYR 10 9.280 -4.908 -0.224 63 H ASP 11 H ASP 11 3.433 -1.811 -0.591 64 HA ASP 11 HA ASP 11 6.155 -1.309 -1.515 65 HB2 ASP 11 2HB ASP 11 4.487 -3.087 -2.433 66 HB3 ASP 11 1HB ASP 11 3.786 -1.735 -3.315 67 H HIS 12 H HIS 12 3.007 0.269 -1.523 68 HA HIS 12 HA HIS 12 4.300 2.640 -2.749 69 HB2 HIS 12 2HB HIS 12 1.523 1.519 -3.074 70 HB3 HIS 12 1HB HIS 12 1.866 3.211 -3.401 71 HD2 HIS 12 2HD HIS 12 2.805 -0.307 -4.873 72 HE1 HIS 12 1HE HIS 12 4.110 2.660 -7.577 73 HE2 HIS 12 2HE HIS 12 3.825 0.155 -7.238 74 HA PRO 13 HA PRO 13 2.983 3.244 1.839 75 HB2 PRO 13 2HB PRO 13 5.477 4.870 1.493 76 HB3 PRO 13 1HB PRO 13 4.934 3.919 2.890 77 HG2 PRO 13 2HG PRO 13 6.820 3.030 1.213 78 HG3 PRO 13 1HG PRO 13 5.667 1.943 2.001 79 HD2 PRO 13 2HD PRO 13 5.822 2.744 -0.845 80 HD3 PRO 13 1HD PRO 13 5.057 1.321 -0.107 81 H GLU 14 H GLU 14 4.459 5.665 -0.339 82 HA GLU 14 HA GLU 14 3.427 8.006 0.565 83 HB2 GLU 14 2HB GLU 14 2.998 7.988 -2.283 84 HB3 GLU 14 1HB GLU 14 4.267 8.783 -1.357 85 HG2 GLU 14 2HG GLU 14 5.580 6.689 -1.351 86 HG3 GLU 14 1HG GLU 14 4.300 5.887 -2.260 87 H ILE 15 H ILE 15 1.687 5.717 -1.511 88 HA ILE 15 HA ILE 15 -0.689 7.141 -1.880 89 HB ILE 15 HB ILE 15 -0.333 4.153 -1.577 90 HG12 ILE 15 2HG1 ILE 15 -0.096 6.043 -3.925 91 HG13 ILE 15 1HG1 ILE 15 1.164 5.007 -3.264 92 HG21 ILE 15 1HG2 ILE 15 -2.484 5.823 -2.918 93 HG22 ILE 15 2HG2 ILE 15 -2.689 4.825 -1.479 94 HG23 ILE 15 3HG2 ILE 15 -2.347 4.070 -3.035 95 HD11 ILE 15 3HD1 ILE 15 0.364 3.839 -5.170 96 HD12 ILE 15 1HD1 ILE 15 -1.319 4.187 -4.771 97 HD13 ILE 15 2HD1 ILE 15 -0.400 3.044 -3.793 98 H ABA 16 H ABA 16 0.323 5.117 0.805 99 HA ABA 16 HA ABA 16 -2.216 5.698 2.197 100 HB3 ABA 16 1HB ABA 16 -1.028 3.888 3.802 101 HB2 ABA 16 2HB ABA 16 -0.283 3.456 2.261 102 HG1 ABA 16 HG ABA 16 -2.607 3.216 1.262 103 HN1 NH2 17 2H ABA 16 1.165 7.122 3.961 104 HN2 NH2 17 1H ABA 16 1.273 6.218 2.526 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -8.861 2.807 0.027 2 H2 GLY 1 2HT GLY 1 -8.597 3.891 -1.254 3 H3 GLY 1 3HT GLY 1 -7.291 3.060 -0.557 4 HA2 GLY 1 2HA GLY 1 -9.483 1.498 -1.723 5 HA3 GLY 1 1HA GLY 1 -8.314 2.255 -2.805 6 H CYS 2 H CYS 2 -6.506 1.124 -3.229 7 HA CYS 2 HA CYS 2 -6.023 -1.439 -2.174 8 HB2 CYS 2 2HB CYS 2 -4.172 -1.529 -3.542 9 HB3 CYS 2 1HB CYS 2 -5.069 -0.235 -4.325 10 H ABA 3 H ABA 3 -5.051 1.709 -1.020 11 HA ABA 3 HA ABA 3 -2.818 1.160 0.497 12 HB3 ABA 3 1HB ABA 3 -5.075 2.848 1.574 13 HB2 ABA 3 2HB ABA 3 -4.070 3.386 0.231 14 HG1 ABA 3 HG ABA 3 -3.348 3.587 3.012 15 H SER 4 H SER 4 -6.139 0.234 1.142 16 HA SER 4 HA SER 4 -5.809 -0.555 3.855 17 HB2 SER 4 2HB SER 4 -8.047 -0.526 3.398 18 HB3 SER 4 1HB SER 4 -7.812 -0.982 1.714 19 HG SER 4 HG SER 4 -7.475 -2.742 3.933 20 H ASP 5 H ASP 5 -4.720 -1.893 0.902 21 HA ASP 5 HA ASP 5 -4.422 -4.611 1.892 22 HB2 ASP 5 2HB ASP 5 -4.862 -3.907 -0.551 23 HB3 ASP 5 1HB ASP 5 -3.163 -3.485 -0.601 24 HA PRO 6 HA PRO 6 -0.543 -3.503 3.900 25 HB2 PRO 6 2HB PRO 6 -0.245 -6.461 3.961 26 HB3 PRO 6 1HB PRO 6 -0.163 -5.293 5.293 27 HG2 PRO 6 2HG PRO 6 -2.263 -6.938 4.909 28 HG3 PRO 6 1HG PRO 6 -2.408 -5.338 5.650 29 HD2 PRO 6 2HD PRO 6 -3.250 -6.237 2.950 30 HD3 PRO 6 1HD PRO 6 -3.878 -4.908 3.946 31 H ARG 7 H ARG 7 -1.168 -5.481 1.143 32 HA ARG 7 HA ARG 7 1.610 -5.761 0.365 33 HB2 ARG 7 2HB ARG 7 -0.739 -7.093 -0.269 34 HB3 ARG 7 1HB ARG 7 -0.374 -6.186 -1.730 35 HG2 ARG 7 2HG ARG 7 1.087 -7.828 -2.247 36 HG3 ARG 7 1HG ARG 7 2.100 -7.220 -0.937 37 HD2 ARG 7 2HD ARG 7 -0.177 -9.047 -0.259 38 HD3 ARG 7 1HD ARG 7 1.283 -9.743 -0.952 39 HE ARG 7 HE ARG 7 1.092 -8.333 1.634 40 HH11 ARG 7 1HH2 ARG 7 2.912 -10.082 -0.697 41 HH12 ARG 7 2HH2 ARG 7 4.207 -10.438 0.387 42 HH21 ARG 7 1HH1 ARG 7 2.770 -8.780 3.028 43 HH22 ARG 7 2HH1 ARG 7 4.132 -9.693 2.484 44 H CYS 8 H CYS 8 -1.089 -3.649 -0.274 45 HA CYS 8 HA CYS 8 0.399 -2.231 -2.384 46 HB2 CYS 8 2HB CYS 8 -2.133 -2.672 -2.473 47 HB3 CYS 8 1HB CYS 8 -2.269 -1.406 -1.255 48 H ASN 9 H ASN 9 -0.720 -1.802 0.930 49 HA ASN 9 HA ASN 9 0.036 0.932 1.195 50 HB2 ASN 9 2HB ASN 9 -1.219 0.494 3.018 51 HB3 ASN 9 1HB ASN 9 -0.892 -1.230 2.934 52 HD21 ASN 9 1HD2 ASN 9 0.613 1.849 4.022 53 HD22 ASN 9 2HD2 ASN 9 1.532 1.124 5.250 54 H TYR 10 H TYR 10 1.837 -1.962 1.022 55 HA TYR 10 HA TYR 10 4.220 -0.844 2.299 56 HB2 TYR 10 2HB TYR 10 4.174 -3.078 2.845 57 HB3 TYR 10 1HB TYR 10 3.315 -3.528 1.376 58 HD1 TYR 10 1HD TYR 10 4.566 -3.614 -0.815 59 HD2 TYR 10 2HD TYR 10 6.550 -3.191 2.970 60 HE1 TYR 10 1HE TYR 10 6.709 -4.324 -1.854 61 HE2 TYR 10 2HE TYR 10 8.686 -3.901 1.932 62 HH TYR 10 HH TYR 10 8.835 -4.873 -1.494 63 H ASP 11 H ASP 11 2.867 -1.524 -0.846 64 HA ASP 11 HA ASP 11 5.330 -1.036 -2.288 65 HB2 ASP 11 2HB ASP 11 3.083 -2.435 -2.877 66 HB3 ASP 11 1HB ASP 11 2.736 -0.927 -3.716 67 H HIS 12 H HIS 12 2.518 0.816 -1.288 68 HA HIS 12 HA HIS 12 3.670 3.173 -2.677 69 HB2 HIS 12 2HB HIS 12 0.802 2.368 -2.239 70 HB3 HIS 12 1HB HIS 12 1.255 4.029 -2.612 71 HD2 HIS 12 2HD HIS 12 1.081 0.565 -4.384 72 HE1 HIS 12 1HE HIS 12 2.420 3.389 -7.223 73 HE2 HIS 12 2HE HIS 12 1.654 0.983 -6.903 74 HA PRO 13 HA PRO 13 3.830 3.700 2.048 75 HB2 PRO 13 2HB PRO 13 6.294 5.097 1.124 76 HB3 PRO 13 1HB PRO 13 6.064 4.004 2.501 77 HG2 PRO 13 2HG PRO 13 7.300 3.260 0.232 78 HG3 PRO 13 1HG PRO 13 6.376 2.139 1.241 79 HD2 PRO 13 2HD PRO 13 5.698 3.250 -1.416 80 HD3 PRO 13 1HD PRO 13 5.120 1.771 -0.624 81 H GLU 14 H GLU 14 4.711 5.992 -0.555 82 HA GLU 14 HA GLU 14 4.133 8.346 0.917 83 HB2 GLU 14 2HB GLU 14 5.307 7.833 -1.490 84 HB3 GLU 14 1HB GLU 14 3.756 8.505 -1.999 85 HG2 GLU 14 2HG GLU 14 5.087 10.428 -1.735 86 HG3 GLU 14 1HG GLU 14 4.219 10.341 -0.206 87 H ILE 15 H ILE 15 2.034 6.039 -0.428 88 HA ILE 15 HA ILE 15 -0.180 7.961 -0.677 89 HB ILE 15 HB ILE 15 -0.079 4.996 -1.299 90 HG12 ILE 15 2HG1 ILE 15 0.237 7.505 -2.959 91 HG13 ILE 15 1HG1 ILE 15 1.323 6.121 -2.866 92 HG21 ILE 15 1HG2 ILE 15 -2.346 5.884 -0.715 93 HG22 ILE 15 2HG2 ILE 15 -2.228 5.388 -2.402 94 HG23 ILE 15 3HG2 ILE 15 -2.165 7.099 -1.982 95 HD11 ILE 15 3HD1 ILE 15 -1.346 6.326 -4.246 96 HD12 ILE 15 1HD1 ILE 15 -0.699 4.755 -3.772 97 HD13 ILE 15 2HD1 ILE 15 0.194 5.773 -4.902 98 H ABA 16 H ABA 16 0.579 4.918 0.990 99 HA ABA 16 HA ABA 16 -1.677 5.341 2.819 100 HB3 ABA 16 1HB ABA 16 -0.974 3.069 3.686 101 HB2 ABA 16 2HB ABA 16 0.220 3.033 2.387 102 HG1 ABA 16 HG ABA 16 -1.487 2.670 0.764 103 HN1 NH2 17 2H ABA 16 1.957 5.498 4.714 104 HN2 NH2 17 1H ABA 16 1.873 4.760 3.189 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -8.683 4.386 -1.714 2 H2 GLY 1 2HT GLY 1 -8.806 2.790 -1.149 3 H3 GLY 1 3HT GLY 1 -9.034 3.132 -2.794 4 HA2 GLY 1 2HA GLY 1 -6.844 3.250 -3.248 5 HA3 GLY 1 1HA GLY 1 -6.485 3.963 -1.680 6 H CYS 2 H CYS 2 -5.742 1.380 -3.410 7 HA CYS 2 HA CYS 2 -6.303 -0.934 -1.983 8 HB2 CYS 2 2HB CYS 2 -4.371 -1.918 -3.008 9 HB3 CYS 2 1HB CYS 2 -5.049 -0.777 -4.168 10 H ABA 3 H ABA 3 -4.679 1.745 -0.788 11 HA ABA 3 HA ABA 3 -2.579 0.895 0.744 12 HB3 ABA 3 1HB ABA 3 -4.257 2.574 2.377 13 HB2 ABA 3 2HB ABA 3 -4.305 3.135 0.708 14 HG1 ABA 3 HG ABA 3 -1.988 3.739 0.787 15 H SER 4 H SER 4 -5.936 0.052 1.178 16 HA SER 4 HA SER 4 -5.747 -0.816 3.901 17 HB2 SER 4 2HB SER 4 -7.959 -0.550 3.362 18 HB3 SER 4 1HB SER 4 -7.728 -1.080 1.695 19 HG SER 4 HG SER 4 -7.234 -2.985 3.671 20 H ASP 5 H ASP 5 -4.398 -2.062 1.090 21 HA ASP 5 HA ASP 5 -4.534 -4.850 1.985 22 HB2 ASP 5 2HB ASP 5 -4.419 -3.619 -0.546 23 HB3 ASP 5 1HB ASP 5 -2.885 -4.452 -0.344 24 HA PRO 6 HA PRO 6 -0.631 -4.430 4.116 25 HB2 PRO 6 2HB PRO 6 -0.095 -7.173 4.173 26 HB3 PRO 6 1HB PRO 6 -1.059 -6.295 5.375 27 HG2 PRO 6 2HG PRO 6 -1.950 -7.945 3.071 28 HG3 PRO 6 1HG PRO 6 -2.668 -7.770 4.681 29 HD2 PRO 6 2HD PRO 6 -3.721 -6.554 2.505 30 HD3 PRO 6 1HD PRO 6 -3.781 -5.802 4.117 31 H ARG 7 H ARG 7 -1.183 -5.970 1.071 32 HA ARG 7 HA ARG 7 1.687 -6.109 0.469 33 HB2 ARG 7 2HB ARG 7 -0.712 -7.479 -0.493 34 HB3 ARG 7 1HB ARG 7 0.333 -6.931 -1.803 35 HG2 ARG 7 2HG ARG 7 1.760 -8.162 0.479 36 HG3 ARG 7 1HG ARG 7 0.709 -9.260 -0.413 37 HD2 ARG 7 2HD ARG 7 3.112 -9.063 -1.263 38 HD3 ARG 7 1HD ARG 7 1.832 -8.858 -2.456 39 HE ARG 7 HE ARG 7 2.381 -6.300 -1.548 40 HH11 ARG 7 1HH2 ARG 7 4.092 -8.878 -3.050 41 HH12 ARG 7 2HH2 ARG 7 5.247 -7.840 -3.807 42 HH21 ARG 7 1HH1 ARG 7 3.885 -4.964 -2.511 43 HH22 ARG 7 2HH1 ARG 7 5.139 -5.655 -3.485 44 H CYS 8 H CYS 8 -0.862 -3.951 0.168 45 HA CYS 8 HA CYS 8 0.424 -2.611 -2.143 46 HB2 CYS 8 2HB CYS 8 -2.167 -3.260 -2.010 47 HB3 CYS 8 1HB CYS 8 -2.247 -1.728 -1.141 48 H ASN 9 H ASN 9 -0.620 -2.275 1.183 49 HA ASN 9 HA ASN 9 -0.324 0.482 1.556 50 HB2 ASN 9 2HB ASN 9 -1.325 -0.767 3.305 51 HB3 ASN 9 1HB ASN 9 0.036 -1.881 3.397 52 HD21 ASN 9 1HD2 ASN 9 1.962 -1.151 4.524 53 HD22 ASN 9 2HD2 ASN 9 1.950 0.243 5.486 54 H TYR 10 H TYR 10 2.064 -1.990 1.224 55 HA TYR 10 HA TYR 10 4.224 -0.243 2.129 56 HB2 TYR 10 2HB TYR 10 4.202 -3.115 1.168 57 HB3 TYR 10 1HB TYR 10 5.635 -2.257 1.736 58 HD1 TYR 10 2HD TYR 10 2.136 -3.089 2.782 59 HD2 TYR 10 1HD TYR 10 6.173 -2.317 4.028 60 HE1 TYR 10 2HE TYR 10 1.516 -3.625 5.124 61 HE2 TYR 10 1HE TYR 10 5.547 -2.855 6.369 62 HH TYR 10 HH TYR 10 3.268 -2.770 7.725 63 H ASP 11 H ASP 11 2.776 -1.484 -0.777 64 HA ASP 11 HA ASP 11 4.963 -0.810 -2.511 65 HB2 ASP 11 2HB ASP 11 2.097 -1.623 -2.919 66 HB3 ASP 11 1HB ASP 11 3.124 -1.159 -4.264 67 H HIS 12 H HIS 12 2.494 0.983 -0.983 68 HA HIS 12 HA HIS 12 3.075 3.292 -2.745 69 HB2 HIS 12 2HB HIS 12 0.414 2.209 -1.914 70 HB3 HIS 12 1HB HIS 12 0.602 3.943 -2.145 71 HD2 HIS 12 2HD HIS 12 0.700 0.663 -4.284 72 HE1 HIS 12 1HE HIS 12 0.882 3.955 -6.922 73 HE2 HIS 12 2HE HIS 12 0.631 1.427 -6.783 74 HA PRO 13 HA PRO 13 3.901 4.058 1.872 75 HB2 PRO 13 2HB PRO 13 6.203 5.427 0.557 76 HB3 PRO 13 1HB PRO 13 6.175 4.416 2.014 77 HG2 PRO 13 2HG PRO 13 7.139 3.515 -0.296 78 HG3 PRO 13 1HG PRO 13 6.254 2.459 0.818 79 HD2 PRO 13 2HD PRO 13 5.355 3.635 -1.774 80 HD3 PRO 13 1HD PRO 13 4.903 2.096 -1.013 81 H GLU 14 H GLU 14 4.458 6.256 -0.905 82 HA GLU 14 HA GLU 14 4.036 8.677 0.450 83 HB2 GLU 14 2HB GLU 14 4.879 8.174 -1.990 84 HB3 GLU 14 1HB GLU 14 3.175 8.351 -2.401 85 HG2 GLU 14 2HG GLU 14 3.899 10.550 -2.602 86 HG3 GLU 14 1HG GLU 14 3.352 10.536 -0.931 87 H ILE 15 H ILE 15 1.747 6.329 -0.735 88 HA ILE 15 HA ILE 15 -0.508 8.167 -0.458 89 HB ILE 15 HB ILE 15 -0.569 5.204 -1.060 90 HG12 ILE 15 2HG1 ILE 15 -0.123 7.608 -2.843 91 HG13 ILE 15 1HG1 ILE 15 0.807 6.112 -2.771 92 HG21 ILE 15 1HG2 ILE 15 -2.506 7.374 -1.878 93 HG22 ILE 15 2HG2 ILE 15 -2.681 6.494 -0.358 94 HG23 ILE 15 3HG2 ILE 15 -2.756 5.629 -1.895 95 HD11 ILE 15 3HD1 ILE 15 -0.488 5.802 -4.700 96 HD12 ILE 15 1HD1 ILE 15 -1.898 6.595 -3.996 97 HD13 ILE 15 2HD1 ILE 15 -1.443 4.975 -3.469 98 H ABA 16 H ABA 16 0.429 5.012 0.941 99 HA ABA 16 HA ABA 16 -1.509 5.309 3.081 100 HB3 ABA 16 1HB ABA 16 0.056 3.180 3.795 101 HB2 ABA 16 2HB ABA 16 0.256 3.195 2.043 102 HG1 ABA 16 HG ABA 16 -2.102 2.275 3.470 103 HN1 NH2 17 2H ABA 16 2.200 6.363 4.365 104 HN2 NH2 17 1H ABA 16 1.963 5.908 2.748 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -6.982 3.646 -0.174 2 H2 GLY 1 2HT GLY 1 -8.538 3.955 -0.777 3 H3 GLY 1 3HT GLY 1 -7.260 5.016 -1.129 4 HA2 GLY 1 2HA GLY 1 -8.079 3.181 -2.840 5 HA3 GLY 1 1HA GLY 1 -6.398 3.709 -2.748 6 H CYS 2 H CYS 2 -5.949 1.527 -3.624 7 HA CYS 2 HA CYS 2 -6.509 -0.910 -2.427 8 HB2 CYS 2 2HB CYS 2 -5.372 -0.908 -4.521 9 HB3 CYS 2 1HB CYS 2 -4.034 0.036 -3.870 10 H ABA 3 H ABA 3 -4.715 1.660 -1.116 11 HA ABA 3 HA ABA 3 -2.730 0.624 0.449 12 HB3 ABA 3 1HB ABA 3 -4.768 2.485 1.652 13 HB2 ABA 3 2HB ABA 3 -3.726 3.022 0.337 14 HG1 ABA 3 HG ABA 3 -2.902 2.418 3.162 15 H SER 4 H SER 4 -6.113 -0.037 0.661 16 HA SER 4 HA SER 4 -6.415 -0.879 3.312 17 HB2 SER 4 2HB SER 4 -8.353 -2.079 2.541 18 HB3 SER 4 1HB SER 4 -8.236 -0.586 1.609 19 HG SER 4 HG SER 4 -8.160 -3.147 0.754 20 H ASP 5 H ASP 5 -4.725 -2.393 0.672 21 HA ASP 5 HA ASP 5 -4.712 -5.021 1.920 22 HB2 ASP 5 2HB ASP 5 -4.510 -4.301 -0.663 23 HB3 ASP 5 1HB ASP 5 -2.803 -4.385 -0.263 24 HA PRO 6 HA PRO 6 -1.226 -4.233 4.523 25 HB2 PRO 6 2HB PRO 6 -0.293 -6.850 4.691 26 HB3 PRO 6 1HB PRO 6 -1.595 -6.172 5.687 27 HG2 PRO 6 2HG PRO 6 -1.760 -7.877 3.257 28 HG3 PRO 6 1HG PRO 6 -2.777 -7.872 4.707 29 HD2 PRO 6 2HD PRO 6 -3.595 -6.763 2.366 30 HD3 PRO 6 1HD PRO 6 -4.091 -6.112 3.945 31 H ARG 7 H ARG 7 -1.029 -5.751 1.437 32 HA ARG 7 HA ARG 7 1.885 -5.497 1.309 33 HB2 ARG 7 2HB ARG 7 0.042 -7.261 0.142 34 HB3 ARG 7 1HB ARG 7 0.607 -6.240 -1.178 35 HG2 ARG 7 2HG ARG 7 2.122 -8.108 -1.027 36 HG3 ARG 7 1HG ARG 7 2.974 -6.693 -0.408 37 HD2 ARG 7 2HD ARG 7 1.418 -8.352 1.533 38 HD3 ARG 7 1HD ARG 7 2.946 -8.998 0.941 39 HE ARG 7 HE ARG 7 2.591 -6.630 2.624 40 HH11 ARG 7 1HH2 ARG 7 4.660 -8.531 0.648 41 HH12 ARG 7 2HH2 ARG 7 6.114 -7.904 1.339 42 HH21 ARG 7 1HH1 ARG 7 4.489 -5.827 3.520 43 HH22 ARG 7 2HH1 ARG 7 6.017 -6.397 2.946 44 H CYS 8 H CYS 8 -1.001 -3.872 0.320 45 HA CYS 8 HA CYS 8 0.208 -2.307 -1.764 46 HB2 CYS 8 2HB CYS 8 -2.406 -2.607 -0.698 47 HB3 CYS 8 1HB CYS 8 -1.990 -0.899 -0.601 48 H ASN 9 H ASN 9 -0.148 -1.949 1.705 49 HA ASN 9 HA ASN 9 0.467 0.762 2.003 50 HB2 ASN 9 2HB ASN 9 -0.178 -1.108 3.750 51 HB3 ASN 9 1HB ASN 9 1.568 -1.246 3.931 52 HD21 ASN 9 1HD2 ASN 9 -0.431 -0.167 5.883 53 HD22 ASN 9 2HD2 ASN 9 0.077 1.418 6.212 54 H TYR 10 H TYR 10 2.435 -1.840 1.009 55 HA TYR 10 HA TYR 10 4.933 -0.361 1.456 56 HB2 TYR 10 2HB TYR 10 4.412 -3.192 0.510 57 HB3 TYR 10 1HB TYR 10 6.010 -2.487 0.761 58 HD1 TYR 10 2HD TYR 10 2.841 -3.437 2.449 59 HD2 TYR 10 1HD TYR 10 6.940 -2.266 2.962 60 HE1 TYR 10 2HE TYR 10 2.704 -4.002 4.862 61 HE2 TYR 10 1HE TYR 10 6.797 -2.834 5.374 62 HH TYR 10 HH TYR 10 5.127 -4.604 6.740 63 H ASP 11 H ASP 11 2.714 -1.387 -1.015 64 HA ASP 11 HA ASP 11 4.428 -1.004 -3.262 65 HB2 ASP 11 2HB ASP 11 1.485 -1.318 -2.817 66 HB3 ASP 11 1HB ASP 11 2.051 -0.754 -4.378 67 H HIS 12 H HIS 12 2.351 1.098 -1.363 68 HA HIS 12 HA HIS 12 3.399 3.403 -2.873 69 HB2 HIS 12 2HB HIS 12 0.478 2.928 -2.259 70 HB3 HIS 12 1HB HIS 12 1.146 4.434 -2.876 71 HD2 HIS 12 2HD HIS 12 0.531 0.775 -4.103 72 HE1 HIS 12 1HE HIS 12 1.649 3.095 -7.447 73 HE2 HIS 12 2HE HIS 12 0.820 0.804 -6.696 74 HA PRO 13 HA PRO 13 3.875 3.717 1.807 75 HB2 PRO 13 2HB PRO 13 6.099 5.386 0.707 76 HB3 PRO 13 1HB PRO 13 6.107 4.245 2.062 77 HG2 PRO 13 2HG PRO 13 7.168 3.628 -0.313 78 HG3 PRO 13 1HG PRO 13 6.378 2.423 0.715 79 HD2 PRO 13 2HD PRO 13 5.423 3.626 -1.824 80 HD3 PRO 13 1HD PRO 13 5.001 2.070 -1.083 81 H GLU 14 H GLU 14 4.368 6.287 -0.629 82 HA GLU 14 HA GLU 14 3.711 8.488 0.973 83 HB2 GLU 14 2HB GLU 14 3.659 7.958 -1.980 84 HB3 GLU 14 1HB GLU 14 2.995 9.468 -1.355 85 HG2 GLU 14 2HG GLU 14 5.504 9.445 -2.007 86 HG3 GLU 14 1HG GLU 14 5.073 10.148 -0.452 87 H ILE 15 H ILE 15 1.633 6.313 -0.872 88 HA ILE 15 HA ILE 15 -0.774 7.835 -0.407 89 HB ILE 15 HB ILE 15 -0.406 4.962 -1.296 90 HG12 ILE 15 2HG1 ILE 15 -0.664 7.588 -2.778 91 HG13 ILE 15 1HG1 ILE 15 0.660 6.432 -2.872 92 HG21 ILE 15 1HG2 ILE 15 -2.669 5.474 -0.396 93 HG22 ILE 15 2HG2 ILE 15 -2.705 5.181 -2.134 94 HG23 ILE 15 3HG2 ILE 15 -2.789 6.830 -1.517 95 HD11 ILE 15 3HD1 ILE 15 -1.164 4.755 -3.671 96 HD12 ILE 15 1HD1 ILE 15 -0.577 5.964 -4.811 97 HD13 ILE 15 2HD1 ILE 15 -2.121 6.200 -3.995 98 H ABA 16 H ABA 16 0.783 5.016 0.995 99 HA ABA 16 HA ABA 16 -1.173 5.077 3.224 100 HB3 ABA 16 1HB ABA 16 -0.671 2.694 3.549 101 HB2 ABA 16 2HB ABA 16 0.473 2.749 2.207 102 HG1 ABA 16 HG ABA 16 -1.370 3.098 0.606 103 HN1 NH2 17 2H ABA 16 2.644 4.317 4.450 104 HN2 NH2 17 1H ABA 16 1.968 3.391 3.202 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -9.076 3.868 0.341 2 H2 GLY 1 2HT GLY 1 -7.473 4.177 0.809 3 H3 GLY 1 3HT GLY 1 -8.078 2.589 0.828 4 HA2 GLY 1 2HA GLY 1 -8.516 3.128 -1.710 5 HA3 GLY 1 1HA GLY 1 -7.148 4.202 -1.423 6 H CYS 2 H CYS 2 -5.682 2.987 -2.651 7 HA CYS 2 HA CYS 2 -5.229 0.302 -2.798 8 HB2 CYS 2 2HB CYS 2 -3.882 2.107 -3.930 9 HB3 CYS 2 1HB CYS 2 -2.981 2.278 -2.421 10 H ABA 3 H ABA 3 -4.421 2.380 -0.070 11 HA ABA 3 HA ABA 3 -2.713 0.731 1.373 12 HB3 ABA 3 1HB ABA 3 -3.991 1.844 3.401 13 HB2 ABA 3 2HB ABA 3 -4.708 2.821 2.120 14 HG1 ABA 3 HG ABA 3 -2.530 3.750 1.539 15 H SER 4 H SER 4 -5.960 0.121 0.540 16 HA SER 4 HA SER 4 -6.857 -1.388 2.745 17 HB2 SER 4 2HB SER 4 -7.473 -1.630 -0.207 18 HB3 SER 4 1HB SER 4 -8.312 -2.546 1.044 19 HG SER 4 HG SER 4 -8.054 0.184 1.490 20 H ASP 5 H ASP 5 -4.598 -2.119 0.185 21 HA ASP 5 HA ASP 5 -4.531 -4.967 0.822 22 HB2 ASP 5 2HB ASP 5 -4.211 -4.063 -1.520 23 HB3 ASP 5 1HB ASP 5 -2.669 -3.435 -0.987 24 HA PRO 6 HA PRO 6 -1.631 -4.218 4.152 25 HB2 PRO 6 2HB PRO 6 -1.047 -7.105 3.703 26 HB3 PRO 6 1HB PRO 6 -1.482 -6.266 5.204 27 HG2 PRO 6 2HG PRO 6 -3.217 -7.823 3.891 28 HG3 PRO 6 1HG PRO 6 -3.725 -6.375 4.774 29 HD2 PRO 6 2HD PRO 6 -3.509 -6.800 1.832 30 HD3 PRO 6 1HD PRO 6 -4.597 -5.732 2.745 31 H ARG 7 H ARG 7 -0.959 -5.578 1.021 32 HA ARG 7 HA ARG 7 1.934 -5.309 1.405 33 HB2 ARG 7 2HB ARG 7 0.201 -6.729 -0.489 34 HB3 ARG 7 1HB ARG 7 1.593 -5.952 -1.239 35 HG2 ARG 7 2HG ARG 7 3.132 -7.124 0.158 36 HG3 ARG 7 1HG ARG 7 1.847 -7.664 1.241 37 HD2 ARG 7 2HD ARG 7 2.191 -8.497 -1.655 38 HD3 ARG 7 1HD ARG 7 2.551 -9.492 -0.243 39 HE ARG 7 HE ARG 7 -0.151 -8.527 -0.206 40 HH11 ARG 7 1HH2 ARG 7 1.961 -10.888 -1.540 41 HH12 ARG 7 2HH2 ARG 7 0.693 -12.015 -1.876 42 HH21 ARG 7 1HH1 ARG 7 -1.778 -9.993 -0.639 43 HH22 ARG 7 2HH1 ARG 7 -1.398 -11.519 -1.359 44 H CYS 8 H CYS 8 -0.765 -3.609 0.031 45 HA CYS 8 HA CYS 8 0.715 -1.986 -1.798 46 HB2 CYS 8 2HB CYS 8 -1.743 -2.076 -1.894 47 HB3 CYS 8 1HB CYS 8 -1.835 -1.254 -0.333 48 H ASN 9 H ASN 9 -0.093 -1.586 1.633 49 HA ASN 9 HA ASN 9 0.831 1.006 2.046 50 HB2 ASN 9 2HB ASN 9 -0.282 -0.508 3.744 51 HB3 ASN 9 1HB ASN 9 1.274 -1.301 3.953 52 HD21 ASN 9 1HD2 ASN 9 3.113 0.171 4.702 53 HD22 ASN 9 2HD2 ASN 9 2.711 1.498 5.680 54 H TYR 10 H TYR 10 2.593 -1.873 1.379 55 HA TYR 10 HA TYR 10 5.165 -0.592 2.001 56 HB2 TYR 10 2HB TYR 10 4.461 -3.450 1.299 57 HB3 TYR 10 1HB TYR 10 6.084 -2.873 1.680 58 HD1 TYR 10 2HD TYR 10 2.622 -3.131 3.034 59 HD2 TYR 10 1HD TYR 10 6.788 -2.638 3.936 60 HE1 TYR 10 2HE TYR 10 2.121 -3.347 5.449 61 HE2 TYR 10 1HE TYR 10 6.289 -2.856 6.358 62 HH TYR 10 HH TYR 10 3.813 -2.339 7.770 63 H ASP 11 H ASP 11 3.130 -1.570 -0.618 64 HA ASP 11 HA ASP 11 5.256 -1.394 -2.607 65 HB2 ASP 11 2HB ASP 11 2.996 -2.883 -2.513 66 HB3 ASP 11 1HB ASP 11 2.420 -1.519 -3.467 67 H HIS 12 H HIS 12 2.527 0.509 -1.442 68 HA HIS 12 HA HIS 12 3.529 2.790 -3.043 69 HB2 HIS 12 2HB HIS 12 0.713 1.742 -2.891 70 HB3 HIS 12 1HB HIS 12 1.020 3.444 -3.205 71 HD2 HIS 12 2HD HIS 12 1.698 -0.018 -4.942 72 HE1 HIS 12 1HE HIS 12 2.428 3.055 -7.742 73 HE2 HIS 12 2HE HIS 12 2.274 0.536 -7.433 74 HA PRO 13 HA PRO 13 3.036 3.438 1.694 75 HB2 PRO 13 2HB PRO 13 5.547 4.894 0.944 76 HB3 PRO 13 1HB PRO 13 5.173 3.977 2.416 77 HG2 PRO 13 2HG PRO 13 6.708 2.952 0.491 78 HG3 PRO 13 1HG PRO 13 5.581 1.948 1.420 79 HD2 PRO 13 2HD PRO 13 5.391 2.852 -1.408 80 HD3 PRO 13 1HD PRO 13 4.684 1.423 -0.622 81 H GLU 14 H GLU 14 4.122 5.685 -0.863 82 HA GLU 14 HA GLU 14 3.442 8.116 0.214 83 HB2 GLU 14 2HB GLU 14 4.345 7.373 -2.190 84 HB3 GLU 14 1HB GLU 14 2.662 7.660 -2.629 85 HG2 GLU 14 2HG GLU 14 4.040 9.703 -2.911 86 HG3 GLU 14 1HG GLU 14 2.784 9.934 -1.696 87 H ILE 15 H ILE 15 1.280 5.671 -1.027 88 HA ILE 15 HA ILE 15 -1.069 7.373 -1.033 89 HB ILE 15 HB ILE 15 -0.799 4.367 -1.252 90 HG12 ILE 15 2HG1 ILE 15 -0.861 6.593 -3.300 91 HG13 ILE 15 1HG1 ILE 15 0.429 5.424 -3.038 92 HG21 ILE 15 1HG2 ILE 15 -3.069 5.107 -0.635 93 HG22 ILE 15 2HG2 ILE 15 -3.037 4.523 -2.299 94 HG23 ILE 15 3HG2 ILE 15 -3.065 6.256 -1.973 95 HD11 ILE 15 3HD1 ILE 15 -2.317 4.944 -4.190 96 HD12 ILE 15 1HD1 ILE 15 -1.326 3.625 -3.566 97 HD13 ILE 15 2HD1 ILE 15 -0.750 4.596 -4.920 98 H ABA 16 H ABA 16 0.430 5.059 1.098 99 HA ABA 16 HA ABA 16 -1.831 5.193 2.981 100 HB3 ABA 16 1HB ABA 16 0.119 3.511 4.052 101 HB2 ABA 16 2HB ABA 16 0.200 3.224 2.317 102 HG1 ABA 16 HG ABA 16 -1.736 2.016 3.930 103 HN1 NH2 17 2H ABA 16 1.528 7.063 4.249 104 HN2 NH2 17 1H ABA 16 1.463 6.378 2.696 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -6.943 3.991 -3.621 2 H2 GLY 1 2HT GLY 1 -8.633 3.965 -3.458 3 H3 GLY 1 3HT GLY 1 -7.775 2.518 -3.689 4 HA2 GLY 1 2HA GLY 1 -6.912 4.045 -1.397 5 HA3 GLY 1 1HA GLY 1 -8.566 3.448 -1.296 6 H CYS 2 H CYS 2 -5.657 2.071 -2.820 7 HA CYS 2 HA CYS 2 -6.230 -0.587 -1.989 8 HB2 CYS 2 2HB CYS 2 -4.066 -1.156 -2.870 9 HB3 CYS 2 1HB CYS 2 -4.800 0.032 -3.942 10 H ABA 3 H ABA 3 -5.129 1.988 -0.164 11 HA ABA 3 HA ABA 3 -3.090 1.117 1.444 12 HB3 ABA 3 1HB ABA 3 -5.337 2.272 2.968 13 HB2 ABA 3 2HB ABA 3 -4.861 3.207 1.553 14 HG1 ABA 3 HG ABA 3 -3.282 2.803 4.059 15 H SER 4 H SER 4 -6.395 -0.051 1.409 16 HA SER 4 HA SER 4 -6.480 -1.382 3.874 17 HB2 SER 4 2HB SER 4 -8.452 -1.084 2.432 18 HB3 SER 4 1HB SER 4 -7.765 -2.209 1.262 19 HG SER 4 HG SER 4 -8.722 -3.676 2.430 20 H ASP 5 H ASP 5 -4.754 -2.211 0.953 21 HA ASP 5 HA ASP 5 -4.274 -4.943 1.925 22 HB2 ASP 5 2HB ASP 5 -4.625 -4.026 -0.610 23 HB3 ASP 5 1HB ASP 5 -2.876 -4.050 -0.510 24 HA PRO 6 HA PRO 6 -0.543 -3.494 3.932 25 HB2 PRO 6 2HB PRO 6 0.033 -6.419 3.943 26 HB3 PRO 6 1HB PRO 6 0.035 -5.265 5.290 27 HG2 PRO 6 2HG PRO 6 -1.927 -7.058 4.959 28 HG3 PRO 6 1HG PRO 6 -2.218 -5.445 5.630 29 HD2 PRO 6 2HD PRO 6 -2.892 -6.505 2.921 30 HD3 PRO 6 1HD PRO 6 -3.724 -5.270 3.893 31 H ARG 7 H ARG 7 -0.895 -5.592 1.182 32 HA ARG 7 HA ARG 7 1.856 -5.623 0.390 33 HB2 ARG 7 2HB ARG 7 -0.740 -6.334 -0.914 34 HB3 ARG 7 1HB ARG 7 0.692 -6.136 -1.921 35 HG2 ARG 7 2HG ARG 7 1.802 -7.932 -0.959 36 HG3 ARG 7 1HG ARG 7 0.925 -7.793 0.564 37 HD2 ARG 7 2HD ARG 7 -0.207 -8.812 -2.060 38 HD3 ARG 7 1HD ARG 7 0.192 -9.787 -0.646 39 HE ARG 7 HE ARG 7 -1.725 -7.622 -0.192 40 HH11 ARG 7 1HH2 ARG 7 -1.191 -10.952 -0.887 41 HH12 ARG 7 2HH2 ARG 7 -2.749 -11.439 -0.321 42 HH21 ARG 7 1HH1 ARG 7 -3.702 -8.238 0.497 43 HH22 ARG 7 2HH1 ARG 7 -4.169 -9.904 0.456 44 H CYS 8 H CYS 8 -0.921 -3.574 -0.243 45 HA CYS 8 HA CYS 8 0.499 -1.958 -2.190 46 HB2 CYS 8 2HB CYS 8 -2.096 -2.261 -1.924 47 HB3 CYS 8 1HB CYS 8 -1.929 -0.958 -0.744 48 H ASN 9 H ASN 9 -0.266 -1.798 1.248 49 HA ASN 9 HA ASN 9 0.663 0.815 1.757 50 HB2 ASN 9 2HB ASN 9 -0.076 -1.532 3.305 51 HB3 ASN 9 1HB ASN 9 1.317 -0.720 4.013 52 HD21 ASN 9 1HD2 ASN 9 -2.007 -0.721 4.110 53 HD22 ASN 9 2HD2 ASN 9 -2.259 0.884 4.595 54 H TYR 10 H TYR 10 2.304 -2.082 0.979 55 HA TYR 10 HA TYR 10 4.916 -1.077 1.873 56 HB2 TYR 10 2HB TYR 10 5.011 -3.298 2.368 57 HB3 TYR 10 1HB TYR 10 3.757 -3.715 1.207 58 HD1 TYR 10 2HD TYR 10 4.310 -4.144 -1.155 59 HD2 TYR 10 1HD TYR 10 7.363 -3.236 1.726 60 HE1 TYR 10 2HE TYR 10 6.044 -4.951 -2.734 61 HE2 TYR 10 1HE TYR 10 9.094 -4.046 0.140 62 HH TYR 10 HH TYR 10 9.311 -4.313 -2.354 63 H ASP 11 H ASP 11 3.027 -1.694 -1.001 64 HA ASP 11 HA ASP 11 5.244 -1.193 -2.815 65 HB2 ASP 11 2HB ASP 11 3.034 -2.708 -3.058 66 HB3 ASP 11 1HB ASP 11 2.440 -1.227 -3.801 67 H HIS 12 H HIS 12 2.482 0.563 -1.501 68 HA HIS 12 HA HIS 12 3.493 3.001 -2.857 69 HB2 HIS 12 2HB HIS 12 0.675 1.960 -2.704 70 HB3 HIS 12 1HB HIS 12 0.989 3.680 -2.870 71 HD2 HIS 12 2HD HIS 12 2.041 0.423 -4.869 72 HE1 HIS 12 1HE HIS 12 1.879 3.696 -7.525 73 HE2 HIS 12 2HE HIS 12 2.254 1.185 -7.360 74 HA PRO 13 HA PRO 13 3.023 3.213 1.936 75 HB2 PRO 13 2HB PRO 13 5.675 4.509 1.429 76 HB3 PRO 13 1HB PRO 13 5.175 3.441 2.754 77 HG2 PRO 13 2HG PRO 13 6.701 2.578 0.736 78 HG3 PRO 13 1HG PRO 13 5.503 1.539 1.527 79 HD2 PRO 13 2HD PRO 13 5.423 2.779 -1.173 80 HD3 PRO 13 1HD PRO 13 4.618 1.313 -0.576 81 H GLU 14 H GLU 14 4.494 5.571 -0.301 82 HA GLU 14 HA GLU 14 3.959 7.950 0.969 83 HB2 GLU 14 2HB GLU 14 3.831 7.302 -1.985 84 HB3 GLU 14 1HB GLU 14 3.825 8.939 -1.329 85 HG2 GLU 14 2HG GLU 14 6.028 8.843 -0.673 86 HG3 GLU 14 1HG GLU 14 5.980 7.109 -0.378 87 H ILE 15 H ILE 15 1.710 5.996 -0.919 88 HA ILE 15 HA ILE 15 -0.399 7.900 -1.044 89 HB ILE 15 HB ILE 15 -0.498 4.878 -1.215 90 HG12 ILE 15 2HG1 ILE 15 -0.035 7.082 -3.229 91 HG13 ILE 15 1HG1 ILE 15 1.001 5.700 -2.887 92 HG21 ILE 15 1HG2 ILE 15 -2.427 6.937 -2.322 93 HG22 ILE 15 2HG2 ILE 15 -2.700 6.065 -0.813 94 HG23 ILE 15 3HG2 ILE 15 -2.610 5.185 -2.338 95 HD11 ILE 15 3HD1 ILE 15 -1.089 4.290 -3.591 96 HD12 ILE 15 1HD1 ILE 15 -0.086 5.021 -4.843 97 HD13 ILE 15 2HD1 ILE 15 -1.605 5.781 -4.375 98 H ABA 16 H ABA 16 0.245 5.210 1.167 99 HA ABA 16 HA ABA 16 -2.078 5.977 2.796 100 HB3 ABA 16 1HB ABA 16 -1.295 3.865 4.095 101 HB2 ABA 16 2HB ABA 16 -0.297 3.564 2.672 102 HG1 ABA 16 HG ABA 16 -2.401 3.604 1.244 103 HN1 NH2 17 2H ABA 16 1.506 6.741 4.551 104 HN2 NH2 17 1H ABA 16 1.457 6.035 3.008 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 -8.349 4.267 -0.736 2 H2 GLY 1 2HT GLY 1 -6.828 3.569 -0.460 3 H3 GLY 1 3HT GLY 1 -8.075 3.379 0.678 4 HA2 GLY 1 2HA GLY 1 -9.154 1.791 -0.510 5 HA3 GLY 1 1HA GLY 1 -8.577 2.436 -2.045 6 H CYS 2 H CYS 2 -6.404 1.981 -2.709 7 HA CYS 2 HA CYS 2 -5.480 -0.582 -2.549 8 HB2 CYS 2 2HB CYS 2 -4.568 1.558 -3.826 9 HB3 CYS 2 1HB CYS 2 -3.405 1.570 -2.502 10 H ABA 3 H ABA 3 -4.826 2.013 -0.254 11 HA ABA 3 HA ABA 3 -2.842 0.924 1.337 12 HB3 ABA 3 1HB ABA 3 -4.885 2.123 2.995 13 HB2 ABA 3 2HB ABA 3 -4.690 3.054 1.512 14 HG1 ABA 3 HG ABA 3 -2.860 3.067 3.760 15 H SER 4 H SER 4 -6.209 0.008 1.116 16 HA SER 4 HA SER 4 -6.518 -1.387 3.530 17 HB2 SER 4 2HB SER 4 -7.745 -2.038 0.845 18 HB3 SER 4 1HB SER 4 -8.335 -2.578 2.416 19 HG SER 4 HG SER 4 -9.245 -0.558 1.364 20 H ASP 5 H ASP 5 -4.709 -2.224 0.688 21 HA ASP 5 HA ASP 5 -4.490 -5.026 1.548 22 HB2 ASP 5 2HB ASP 5 -4.398 -3.686 -0.985 23 HB3 ASP 5 1HB ASP 5 -2.891 -4.553 -0.737 24 HA PRO 6 HA PRO 6 -0.797 -3.816 3.843 25 HB2 PRO 6 2HB PRO 6 -0.469 -6.785 3.796 26 HB3 PRO 6 1HB PRO 6 -0.395 -5.667 5.170 27 HG2 PRO 6 2HG PRO 6 -2.507 -7.246 4.744 28 HG3 PRO 6 1HG PRO 6 -2.670 -5.618 5.425 29 HD2 PRO 6 2HD PRO 6 -3.366 -6.592 2.695 30 HD3 PRO 6 1HD PRO 6 -4.073 -5.261 3.639 31 H ARG 7 H ARG 7 -1.067 -5.793 0.998 32 HA ARG 7 HA ARG 7 1.774 -5.921 0.473 33 HB2 ARG 7 2HB ARG 7 -0.716 -6.837 -0.878 34 HB3 ARG 7 1HB ARG 7 0.688 -6.561 -1.902 35 HG2 ARG 7 2HG ARG 7 0.558 -8.373 0.524 36 HG3 ARG 7 1HG ARG 7 0.656 -8.889 -1.157 37 HD2 ARG 7 2HD ARG 7 2.785 -7.957 0.656 38 HD3 ARG 7 1HD ARG 7 2.891 -8.997 -0.763 39 HE ARG 7 HE ARG 7 2.453 -6.511 -1.832 40 HH11 ARG 7 1HH2 ARG 7 4.717 -7.865 0.372 41 HH12 ARG 7 2HH2 ARG 7 5.949 -6.708 0.004 42 HH21 ARG 7 1HH1 ARG 7 4.037 -5.017 -2.297 43 HH22 ARG 7 2HH1 ARG 7 5.573 -5.125 -1.498 44 H CYS 8 H CYS 8 -0.864 -3.825 -0.230 45 HA CYS 8 HA CYS 8 0.653 -2.336 -2.261 46 HB2 CYS 8 2HB CYS 8 -1.728 -2.772 -2.679 47 HB3 CYS 8 1HB CYS 8 -2.148 -1.919 -1.194 48 H ASN 9 H ASN 9 -0.610 -2.024 1.003 49 HA ASN 9 HA ASN 9 -0.121 0.703 1.453 50 HB2 ASN 9 2HB ASN 9 -1.395 -0.433 3.079 51 HB3 ASN 9 1HB ASN 9 -0.204 -1.714 3.245 52 HD21 ASN 9 1HD2 ASN 9 0.261 1.852 3.365 53 HD22 ASN 9 2HD2 ASN 9 0.926 1.844 4.924 54 H TYR 10 H TYR 10 2.052 -1.967 1.231 55 HA TYR 10 HA TYR 10 4.311 -0.452 2.335 56 HB2 TYR 10 2HB TYR 10 3.929 -3.315 1.454 57 HB3 TYR 10 1HB TYR 10 5.523 -2.652 1.821 58 HD1 TYR 10 1HD TYR 10 2.093 -2.429 3.328 59 HD2 TYR 10 2HD TYR 10 6.274 -3.151 3.967 60 HE1 TYR 10 1HE TYR 10 1.665 -2.758 5.749 61 HE2 TYR 10 2HE TYR 10 5.845 -3.479 6.388 62 HH TYR 10 HH TYR 10 2.550 -3.520 7.678 63 H ASP 11 H ASP 11 2.910 -1.463 -0.648 64 HA ASP 11 HA ASP 11 5.263 -1.048 -2.271 65 HB2 ASP 11 2HB ASP 11 2.525 -1.984 -2.644 66 HB3 ASP 11 1HB ASP 11 3.054 -0.936 -3.955 67 H HIS 12 H HIS 12 2.495 0.853 -1.237 68 HA HIS 12 HA HIS 12 3.698 3.186 -2.624 69 HB2 HIS 12 2HB HIS 12 0.847 2.267 -2.575 70 HB3 HIS 12 1HB HIS 12 1.204 3.985 -2.709 71 HD2 HIS 12 2HD HIS 12 1.679 0.712 -4.807 72 HE1 HIS 12 1HE HIS 12 2.839 3.984 -7.209 73 HE2 HIS 12 2HE HIS 12 2.432 1.475 -7.193 74 HA PRO 13 HA PRO 13 3.158 3.790 2.071 75 HB2 PRO 13 2HB PRO 13 5.928 4.815 1.667 76 HB3 PRO 13 1HB PRO 13 5.282 3.786 2.960 77 HG2 PRO 13 2HG PRO 13 6.844 2.808 1.026 78 HG3 PRO 13 1HG PRO 13 5.527 1.864 1.740 79 HD2 PRO 13 2HD PRO 13 5.658 3.189 -0.934 80 HD3 PRO 13 1HD PRO 13 4.811 1.709 -0.440 81 H GLU 14 H GLU 14 4.648 5.716 -0.497 82 HA GLU 14 HA GLU 14 4.340 8.274 0.645 83 HB2 GLU 14 2HB GLU 14 5.570 7.411 -1.550 84 HB3 GLU 14 1HB GLU 14 4.058 7.914 -2.307 85 HG2 GLU 14 2HG GLU 14 4.357 10.156 -1.738 86 HG3 GLU 14 1HG GLU 14 5.396 9.778 -0.368 87 H ILE 15 H ILE 15 2.072 6.136 -0.890 88 HA ILE 15 HA ILE 15 0.056 8.234 -1.217 89 HB ILE 15 HB ILE 15 -0.169 5.260 -1.737 90 HG12 ILE 15 2HG1 ILE 15 0.735 7.572 -3.472 91 HG13 ILE 15 1HG1 ILE 15 1.600 6.073 -3.135 92 HG21 ILE 15 1HG2 ILE 15 -1.745 7.547 -2.937 93 HG22 ILE 15 2HG2 ILE 15 -2.276 6.702 -1.483 94 HG23 ILE 15 3HG2 ILE 15 -2.111 5.824 -3.004 95 HD11 ILE 15 3HD1 ILE 15 -0.903 6.426 -4.793 96 HD12 ILE 15 1HD1 ILE 15 -0.322 4.848 -4.264 97 HD13 ILE 15 2HD1 ILE 15 0.669 5.840 -5.332 98 H ABA 16 H ABA 16 0.527 5.231 0.621 99 HA ABA 16 HA ABA 16 -1.901 5.669 2.159 100 HB3 ABA 16 1HB ABA 16 -0.661 3.621 3.432 101 HB2 ABA 16 2HB ABA 16 0.082 3.499 1.834 102 HG1 ABA 16 HG ABA 16 -2.108 3.124 0.796 103 HN1 NH2 17 2H ABA 16 1.379 6.822 4.272 104 HN2 NH2 17 1H ABA 16 1.576 6.181 2.714 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -8.816 0.301 -0.781 2 H2 GLY 1 2HT GLY 1 -10.071 0.667 -1.868 3 H3 GLY 1 3HT GLY 1 -9.460 1.871 -0.841 4 HA2 GLY 1 2HA GLY 1 -8.582 1.127 -3.421 5 HA3 GLY 1 1HA GLY 1 -8.052 2.477 -2.423 6 H CYS 2 H CYS 2 -5.867 2.373 -2.579 7 HA CYS 2 HA CYS 2 -4.369 -0.060 -2.661 8 HB2 CYS 2 2HB CYS 2 -3.652 2.216 -3.549 9 HB3 CYS 2 1HB CYS 2 -3.321 2.660 -1.878 10 H ABA 3 H ABA 3 -4.544 2.453 -0.115 11 HA ABA 3 HA ABA 3 -3.103 1.098 1.842 12 HB3 ABA 3 1HB ABA 3 -5.235 2.551 3.101 13 HB2 ABA 3 2HB ABA 3 -4.667 3.459 1.702 14 HG1 ABA 3 HG ABA 3 -3.272 3.231 4.232 15 H SER 4 H SER 4 -6.003 0.115 0.499 16 HA SER 4 HA SER 4 -7.257 -1.076 2.777 17 HB2 SER 4 2HB SER 4 -7.590 -2.001 -0.071 18 HB3 SER 4 1HB SER 4 -8.767 -2.035 1.241 19 HG SER 4 HG SER 4 -8.747 0.264 1.202 20 H ASP 5 H ASP 5 -4.779 -2.079 0.501 21 HA ASP 5 HA ASP 5 -4.760 -4.787 1.669 22 HB2 ASP 5 2HB ASP 5 -4.637 -4.286 -0.895 23 HB3 ASP 5 1HB ASP 5 -2.958 -3.919 -0.568 24 HA PRO 6 HA PRO 6 -1.433 -3.478 4.310 25 HB2 PRO 6 2HB PRO 6 -0.473 -6.056 4.827 26 HB3 PRO 6 1HB PRO 6 -1.753 -5.238 5.742 27 HG2 PRO 6 2HG PRO 6 -1.968 -7.283 3.605 28 HG3 PRO 6 1HG PRO 6 -2.986 -7.022 5.029 29 HD2 PRO 6 2HD PRO 6 -3.773 -6.297 2.533 30 HD3 PRO 6 1HD PRO 6 -4.269 -5.396 3.984 31 H ARG 7 H ARG 7 -1.168 -5.537 1.528 32 HA ARG 7 HA ARG 7 1.716 -5.365 1.345 33 HB2 ARG 7 2HB ARG 7 -0.253 -7.013 0.270 34 HB3 ARG 7 1HB ARG 7 0.301 -6.067 -1.105 35 HG2 ARG 7 2HG ARG 7 2.127 -7.573 0.802 36 HG3 ARG 7 1HG ARG 7 1.621 -8.173 -0.776 37 HD2 ARG 7 2HD ARG 7 3.312 -5.735 -0.183 38 HD3 ARG 7 1HD ARG 7 3.776 -7.176 -1.090 39 HE ARG 7 HE ARG 7 1.529 -5.967 -2.331 40 HH11 ARG 7 1HH2 ARG 7 4.909 -5.526 -1.817 41 HH12 ARG 7 2HH2 ARG 7 5.101 -4.518 -3.212 42 HH21 ARG 7 1HH1 ARG 7 1.818 -4.703 -4.126 43 HH22 ARG 7 2HH1 ARG 7 3.389 -4.075 -4.499 44 H CYS 8 H CYS 8 -1.079 -3.664 0.159 45 HA CYS 8 HA CYS 8 0.080 -2.139 -1.918 46 HB2 CYS 8 2HB CYS 8 -2.384 -2.191 -0.590 47 HB3 CYS 8 1HB CYS 8 -1.755 -0.574 -0.295 48 H ASN 9 H ASN 9 0.029 -1.709 1.573 49 HA ASN 9 HA ASN 9 1.108 0.864 1.768 50 HB2 ASN 9 2HB ASN 9 0.148 -0.410 3.664 51 HB3 ASN 9 1HB ASN 9 1.554 -1.471 3.643 52 HD21 ASN 9 1HD2 ASN 9 3.020 -0.873 5.219 53 HD22 ASN 9 2HD2 ASN 9 3.337 0.721 5.706 54 H TYR 10 H TYR 10 2.595 -2.047 0.754 55 HA TYR 10 HA TYR 10 5.301 -1.036 1.258 56 HB2 TYR 10 2HB TYR 10 4.278 -3.654 0.140 57 HB3 TYR 10 1HB TYR 10 5.987 -3.257 0.325 58 HD1 TYR 10 2HD TYR 10 2.786 -3.383 2.249 59 HD2 TYR 10 1HD TYR 10 7.066 -3.663 2.387 60 HE1 TYR 10 2HE TYR 10 2.666 -4.016 4.644 61 HE2 TYR 10 1HE TYR 10 6.942 -4.297 4.784 62 HH TYR 10 HH TYR 10 5.567 -4.952 6.443 63 H ASP 11 H ASP 11 2.978 -1.458 -1.296 64 HA ASP 11 HA ASP 11 4.938 -0.810 -3.378 65 HB2 ASP 11 2HB ASP 11 2.455 -2.201 -3.301 66 HB3 ASP 11 1HB ASP 11 2.251 -0.809 -4.359 67 H HIS 12 H HIS 12 2.353 0.710 -1.551 68 HA HIS 12 HA HIS 12 2.930 3.263 -2.957 69 HB2 HIS 12 2HB HIS 12 0.280 2.252 -1.899 70 HB3 HIS 12 1HB HIS 12 0.562 3.890 -2.466 71 HD2 HIS 12 2HD HIS 12 0.688 0.254 -3.998 72 HE1 HIS 12 1HE HIS 12 0.043 3.024 -7.115 73 HE2 HIS 12 2HE HIS 12 0.247 0.550 -6.558 74 HA PRO 13 HA PRO 13 3.749 3.368 1.754 75 HB2 PRO 13 2HB PRO 13 6.185 4.752 0.760 76 HB3 PRO 13 1HB PRO 13 6.026 3.504 2.009 77 HG2 PRO 13 2HG PRO 13 7.042 2.991 -0.423 78 HG3 PRO 13 1HG PRO 13 6.121 1.793 0.501 79 HD2 PRO 13 2HD PRO 13 5.293 3.361 -1.894 80 HD3 PRO 13 1HD PRO 13 4.776 1.750 -1.353 81 H GLU 14 H GLU 14 4.675 5.836 -0.658 82 HA GLU 14 HA GLU 14 4.326 8.109 0.920 83 HB2 GLU 14 2HB GLU 14 3.986 7.735 -2.061 84 HB3 GLU 14 1HB GLU 14 4.050 9.306 -1.261 85 HG2 GLU 14 2HG GLU 14 6.293 9.118 -1.665 86 HG3 GLU 14 1HG GLU 14 6.263 8.151 -0.194 87 H ILE 15 H ILE 15 1.898 6.052 -0.440 88 HA ILE 15 HA ILE 15 -0.183 8.081 -0.360 89 HB ILE 15 HB ILE 15 -0.384 5.089 -0.786 90 HG12 ILE 15 2HG1 ILE 15 -0.115 7.454 -2.660 91 HG13 ILE 15 1HG1 ILE 15 0.913 6.025 -2.572 92 HG21 ILE 15 1HG2 ILE 15 -2.475 6.302 -0.001 93 HG22 ILE 15 2HG2 ILE 15 -2.617 5.542 -1.585 94 HG23 ILE 15 3HG2 ILE 15 -2.368 7.281 -1.463 95 HD11 ILE 15 3HD1 ILE 15 -1.984 6.104 -3.455 96 HD12 ILE 15 1HD1 ILE 15 -1.034 4.630 -3.277 97 HD13 ILE 15 2HD1 ILE 15 -0.583 5.828 -4.489 98 H ABA 16 H ABA 16 0.242 4.946 1.289 99 HA ABA 16 HA ABA 16 -1.658 5.699 3.351 100 HB3 ABA 16 1HB ABA 16 -0.958 3.423 4.291 101 HB2 ABA 16 2HB ABA 16 0.004 3.236 2.826 102 HG1 ABA 16 HG ABA 16 -2.022 3.221 1.438 103 HN1 NH2 17 2H ABA 16 2.172 5.847 4.772 104 HN2 NH2 17 1H ABA 16 1.895 5.207 3.228 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -7.048 3.708 -3.107 2 H2 GLY 1 2HT GLY 1 -6.513 3.966 -1.515 3 H3 GLY 1 3HT GLY 1 -8.001 4.599 -2.027 4 HA2 GLY 1 2HA GLY 1 -8.609 2.737 -0.787 5 HA3 GLY 1 1HA GLY 1 -8.690 2.205 -2.466 6 H CYS 2 H CYS 2 -6.483 1.392 -3.316 7 HA CYS 2 HA CYS 2 -5.786 -1.009 -2.313 8 HB2 CYS 2 2HB CYS 2 -4.910 -0.006 -4.425 9 HB3 CYS 2 1HB CYS 2 -3.755 0.915 -3.462 10 H ABA 3 H ABA 3 -4.697 2.064 -1.010 11 HA ABA 3 HA ABA 3 -2.510 1.400 0.508 12 HB3 ABA 3 1HB ABA 3 -4.536 2.947 1.994 13 HB2 ABA 3 2HB ABA 3 -4.192 3.558 0.379 14 HG1 ABA 3 HG ABA 3 -1.803 3.852 0.968 15 H SER 4 H SER 4 -5.843 0.456 1.021 16 HA SER 4 HA SER 4 -5.558 -0.479 3.701 17 HB2 SER 4 2HB SER 4 -7.778 -0.301 3.327 18 HB3 SER 4 1HB SER 4 -7.607 -0.561 1.593 19 HG SER 4 HG SER 4 -7.249 -2.646 3.493 20 H ASP 5 H ASP 5 -4.604 -1.823 0.667 21 HA ASP 5 HA ASP 5 -4.693 -4.582 1.476 22 HB2 ASP 5 2HB ASP 5 -4.401 -3.316 -0.935 23 HB3 ASP 5 1HB ASP 5 -2.761 -3.846 -0.615 24 HA PRO 6 HA PRO 6 -1.127 -4.394 4.147 25 HB2 PRO 6 2HB PRO 6 -0.610 -7.156 4.013 26 HB3 PRO 6 1HB PRO 6 -1.650 -6.349 5.199 27 HG2 PRO 6 2HG PRO 6 -2.379 -7.816 2.734 28 HG3 PRO 6 1HG PRO 6 -3.253 -7.674 4.268 29 HD2 PRO 6 2HD PRO 6 -4.018 -6.323 2.040 30 HD3 PRO 6 1HD PRO 6 -4.238 -5.650 3.675 31 H ARG 7 H ARG 7 -1.266 -5.713 0.960 32 HA ARG 7 HA ARG 7 1.634 -5.912 0.692 33 HB2 ARG 7 2HB ARG 7 -0.697 -6.882 -0.780 34 HB3 ARG 7 1HB ARG 7 0.538 -6.206 -1.843 35 HG2 ARG 7 2HG ARG 7 2.209 -7.697 -1.029 36 HG3 ARG 7 1HG ARG 7 1.227 -8.160 0.362 37 HD2 ARG 7 2HD ARG 7 0.383 -8.704 -2.493 38 HD3 ARG 7 1HD ARG 7 1.313 -9.856 -1.531 39 HE ARG 7 HE ARG 7 -1.045 -8.945 -0.153 40 HH11 ARG 7 1HH2 ARG 7 0.162 -11.136 -2.522 41 HH12 ARG 7 2HH2 ARG 7 -1.131 -12.263 -2.315 42 HH21 ARG 7 1HH1 ARG 7 -2.712 -10.397 0.084 43 HH22 ARG 7 2HH1 ARG 7 -2.757 -11.837 -0.874 44 H CYS 8 H CYS 8 -0.937 -3.690 0.096 45 HA CYS 8 HA CYS 8 0.475 -2.076 -1.842 46 HB2 CYS 8 2HB CYS 8 -2.153 -2.187 -0.969 47 HB3 CYS 8 1HB CYS 8 -1.570 -0.662 -0.313 48 H ASN 9 H ASN 9 0.062 -2.076 1.656 49 HA ASN 9 HA ASN 9 1.084 0.434 2.297 50 HB2 ASN 9 2HB ASN 9 0.098 -1.348 3.846 51 HB3 ASN 9 1HB ASN 9 1.704 -2.070 3.866 52 HD21 ASN 9 1HD2 ASN 9 -0.024 0.977 4.602 53 HD22 ASN 9 2HD2 ASN 9 1.101 1.503 5.758 54 H TYR 10 H TYR 10 2.688 -2.303 1.003 55 HA TYR 10 HA TYR 10 5.358 -1.214 1.592 56 HB2 TYR 10 2HB TYR 10 4.404 -3.863 0.483 57 HB3 TYR 10 1HB TYR 10 6.106 -3.409 0.574 58 HD1 TYR 10 1HD TYR 10 3.032 -3.557 2.724 59 HD2 TYR 10 2HD TYR 10 7.305 -3.916 2.516 60 HE1 TYR 10 1HE TYR 10 3.087 -4.255 5.106 61 HE2 TYR 10 2HE TYR 10 7.361 -4.615 4.899 62 HH TYR 10 HH TYR 10 5.867 -5.617 6.552 63 H ASP 11 H ASP 11 3.037 -1.671 -0.912 64 HA ASP 11 HA ASP 11 4.883 -1.091 -3.094 65 HB2 ASP 11 2HB ASP 11 2.245 -2.263 -2.785 66 HB3 ASP 11 1HB ASP 11 2.227 -1.022 -4.026 67 H HIS 12 H HIS 12 2.192 0.481 -1.390 68 HA HIS 12 HA HIS 12 2.929 3.031 -2.731 69 HB2 HIS 12 2HB HIS 12 0.181 2.006 -2.004 70 HB3 HIS 12 1HB HIS 12 0.509 3.669 -2.470 71 HD2 HIS 12 2HD HIS 12 0.483 0.112 -4.108 72 HE1 HIS 12 1HE HIS 12 0.914 2.969 -7.182 73 HE2 HIS 12 2HE HIS 12 0.544 0.502 -6.690 74 HA PRO 13 HA PRO 13 3.340 3.414 1.909 75 HB2 PRO 13 2HB PRO 13 5.773 4.682 1.823 76 HB3 PRO 13 1HB PRO 13 5.580 2.919 1.884 77 HG2 PRO 13 2HG PRO 13 6.131 4.681 -0.458 78 HG3 PRO 13 1HG PRO 13 6.811 3.095 -0.052 79 HD2 PRO 13 2HD PRO 13 4.841 3.398 -1.907 80 HD3 PRO 13 1HD PRO 13 4.984 1.940 -0.898 81 H GLU 14 H GLU 14 3.831 5.719 -0.729 82 HA GLU 14 HA GLU 14 3.654 8.075 0.893 83 HB2 GLU 14 2HB GLU 14 3.378 7.590 -2.071 84 HB3 GLU 14 1HB GLU 14 3.225 9.192 -1.351 85 HG2 GLU 14 2HG GLU 14 5.460 9.150 -0.527 86 HG3 GLU 14 1HG GLU 14 5.618 7.421 -0.827 87 H ILE 15 H ILE 15 1.293 6.244 -1.011 88 HA ILE 15 HA ILE 15 -0.866 8.020 -0.866 89 HB ILE 15 HB ILE 15 -0.875 4.988 -0.871 90 HG12 ILE 15 2HG1 ILE 15 -0.856 7.128 -3.007 91 HG13 ILE 15 1HG1 ILE 15 0.248 5.768 -2.826 92 HG21 ILE 15 1HG2 ILE 15 -3.074 6.947 -1.612 93 HG22 ILE 15 2HG2 ILE 15 -3.040 6.000 -0.125 94 HG23 ILE 15 3HG2 ILE 15 -3.173 5.189 -1.684 95 HD11 ILE 15 3HD1 ILE 15 -1.820 4.270 -3.167 96 HD12 ILE 15 1HD1 ILE 15 -1.212 5.129 -4.584 97 HD13 ILE 15 2HD1 ILE 15 -2.633 5.730 -3.730 98 H ABA 16 H ABA 16 -0.104 5.310 1.308 99 HA ABA 16 HA ABA 16 -2.107 6.193 3.233 100 HB3 ABA 16 1HB ABA 16 -1.041 4.195 4.537 101 HB2 ABA 16 2HB ABA 16 -0.276 3.824 2.991 102 HG1 ABA 16 HG ABA 16 -3.048 3.279 3.699 103 HN1 NH2 17 2H ABA 16 1.695 7.036 4.484 104 HN2 NH2 17 1H ABA 16 1.482 6.077 3.101 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -7.924 3.249 -3.052 2 H2 GLY 1 2HT GLY 1 -7.143 4.621 -2.431 3 H3 GLY 1 3HT GLY 1 -8.836 4.514 -2.392 4 HA2 GLY 1 2HA GLY 1 -7.427 4.017 -0.266 5 HA3 GLY 1 1HA GLY 1 -8.872 3.081 -0.634 6 H CYS 2 H CYS 2 -5.873 2.859 -2.466 7 HA CYS 2 HA CYS 2 -5.730 0.071 -2.474 8 HB2 CYS 2 2HB CYS 2 -4.442 1.687 -3.942 9 HB3 CYS 2 1HB CYS 2 -3.325 1.889 -2.593 10 H ABA 3 H ABA 3 -4.860 2.290 0.019 11 HA ABA 3 HA ABA 3 -2.907 0.869 1.427 12 HB3 ABA 3 1HB ABA 3 -4.341 2.055 3.433 13 HB2 ABA 3 2HB ABA 3 -4.839 3.009 2.035 14 HG1 ABA 3 HG ABA 3 -2.313 3.331 1.523 15 H SER 4 H SER 4 -6.221 0.072 0.944 16 HA SER 4 HA SER 4 -6.773 -1.370 3.309 17 HB2 SER 4 2HB SER 4 -8.347 -2.685 1.749 18 HB3 SER 4 1HB SER 4 -8.622 -0.951 1.910 19 HG SER 4 HG SER 4 -7.514 -2.426 -0.220 20 H ASP 5 H ASP 5 -4.623 -2.014 0.728 21 HA ASP 5 HA ASP 5 -4.441 -4.870 1.436 22 HB2 ASP 5 2HB ASP 5 -4.200 -3.435 -1.025 23 HB3 ASP 5 1HB ASP 5 -2.652 -4.188 -0.678 24 HA PRO 6 HA PRO 6 -1.055 -3.515 4.134 25 HB2 PRO 6 2HB PRO 6 -0.656 -6.474 4.167 26 HB3 PRO 6 1HB PRO 6 -0.747 -5.332 5.520 27 HG2 PRO 6 2HG PRO 6 -2.771 -6.962 4.903 28 HG3 PRO 6 1HG PRO 6 -3.034 -5.335 5.548 29 HD2 PRO 6 2HD PRO 6 -3.452 -6.349 2.779 30 HD3 PRO 6 1HD PRO 6 -4.256 -5.010 3.629 31 H ARG 7 H ARG 7 -0.981 -5.353 1.227 32 HA ARG 7 HA ARG 7 1.922 -5.391 1.068 33 HB2 ARG 7 2HB ARG 7 -0.282 -6.405 -0.717 34 HB3 ARG 7 1HB ARG 7 1.400 -6.376 -1.237 35 HG2 ARG 7 2HG ARG 7 1.135 -8.535 -0.307 36 HG3 ARG 7 1HG ARG 7 1.912 -7.611 0.980 37 HD2 ARG 7 2HD ARG 7 -0.076 -9.014 1.718 38 HD3 ARG 7 1HD ARG 7 -0.163 -7.306 2.138 39 HE ARG 7 HE ARG 7 -1.964 -7.084 0.669 40 HH11 ARG 7 1HH2 ARG 7 -0.321 -10.055 0.178 41 HH12 ARG 7 2HH2 ARG 7 -1.464 -10.641 -0.977 42 HH21 ARG 7 1HH1 ARG 7 -3.437 -7.827 -0.793 43 HH22 ARG 7 2HH1 ARG 7 -3.222 -9.379 -1.540 44 H CYS 8 H CYS 8 -0.772 -3.520 0.030 45 HA CYS 8 HA CYS 8 0.519 -2.132 -2.134 46 HB2 CYS 8 2HB CYS 8 -1.987 -2.310 -1.773 47 HB3 CYS 8 1HB CYS 8 -1.803 -1.128 -0.477 48 H ASN 9 H ASN 9 -0.115 -1.369 1.282 49 HA ASN 9 HA ASN 9 1.084 1.182 1.293 50 HB2 ASN 9 2HB ASN 9 0.724 1.161 3.555 51 HB3 ASN 9 1HB ASN 9 -0.331 -0.178 3.114 52 HD21 ASN 9 1HD2 ASN 9 3.124 0.376 3.956 53 HD22 ASN 9 2HD2 ASN 9 3.269 -1.047 4.863 54 H TYR 10 H TYR 10 2.456 -1.912 0.987 55 HA TYR 10 HA TYR 10 5.105 -1.097 1.938 56 HB2 TYR 10 2HB TYR 10 4.902 -3.306 2.525 57 HB3 TYR 10 1HB TYR 10 3.768 -3.660 1.224 58 HD1 TYR 10 1HD TYR 10 4.605 -3.984 -1.109 59 HD2 TYR 10 2HD TYR 10 7.264 -3.610 2.239 60 HE1 TYR 10 1HE TYR 10 6.455 -4.926 -2.473 61 HE2 TYR 10 2HE TYR 10 9.112 -4.554 0.876 62 HH TYR 10 HH TYR 10 9.200 -4.634 -2.274 63 H ASP 11 H ASP 11 3.302 -1.692 -0.997 64 HA ASP 11 HA ASP 11 5.624 -1.394 -2.733 65 HB2 ASP 11 2HB ASP 11 3.165 -2.656 -2.970 66 HB3 ASP 11 1HB ASP 11 2.974 -1.227 -3.979 67 H HIS 12 H HIS 12 2.787 0.459 -1.730 68 HA HIS 12 HA HIS 12 4.019 2.879 -2.916 69 HB2 HIS 12 2HB HIS 12 1.157 1.950 -3.097 70 HB3 HIS 12 1HB HIS 12 1.603 3.636 -3.321 71 HD2 HIS 12 2HD HIS 12 1.888 0.247 -5.207 72 HE1 HIS 12 1HE HIS 12 3.569 3.239 -7.669 73 HE2 HIS 12 2HE HIS 12 2.828 0.808 -7.584 74 HA PRO 13 HA PRO 13 3.163 3.067 1.793 75 HB2 PRO 13 2HB PRO 13 5.569 4.792 1.319 76 HB3 PRO 13 1HB PRO 13 5.206 3.711 2.678 77 HG2 PRO 13 2HG PRO 13 6.908 3.019 0.737 78 HG3 PRO 13 1HG PRO 13 5.863 1.837 1.542 79 HD2 PRO 13 2HD PRO 13 5.694 2.899 -1.220 80 HD3 PRO 13 1HD PRO 13 5.041 1.390 -0.546 81 H GLU 14 H GLU 14 4.117 5.607 -0.516 82 HA GLU 14 HA GLU 14 3.211 7.875 0.764 83 HB2 GLU 14 2HB GLU 14 3.266 7.117 -2.153 84 HB3 GLU 14 1HB GLU 14 2.722 8.710 -1.620 85 HG2 GLU 14 2HG GLU 14 5.064 8.360 -0.184 86 HG3 GLU 14 1HG GLU 14 5.446 7.609 -1.730 87 H ILE 15 H ILE 15 1.296 5.489 -1.005 88 HA ILE 15 HA ILE 15 -1.127 6.890 -1.186 89 HB ILE 15 HB ILE 15 -0.561 3.936 -0.876 90 HG12 ILE 15 2HG1 ILE 15 -1.233 5.756 -3.198 91 HG13 ILE 15 1HG1 ILE 15 0.316 4.982 -2.901 92 HG21 ILE 15 1HG2 ILE 15 -2.945 3.842 -1.928 93 HG22 ILE 15 2HG2 ILE 15 -3.129 5.470 -1.281 94 HG23 ILE 15 3HG2 ILE 15 -2.817 4.120 -0.193 95 HD11 ILE 15 3HD1 ILE 15 -2.266 3.752 -3.807 96 HD12 ILE 15 1HD1 ILE 15 -1.109 2.771 -2.911 97 HD13 ILE 15 2HD1 ILE 15 -0.638 3.512 -4.441 98 H ABA 16 H ABA 16 0.201 4.947 1.423 99 HA ABA 16 HA ABA 16 -2.098 5.619 3.146 100 HB3 ABA 16 1HB ABA 16 -0.499 3.985 4.656 101 HB2 ABA 16 2HB ABA 16 -0.151 3.407 3.026 102 HG1 ABA 16 HG ABA 16 -2.575 2.863 4.531 103 HN1 NH2 17 2H ABA 16 1.499 7.181 4.286 104 HN2 NH2 17 1H ABA 16 1.449 6.061 3.008 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -9.321 3.644 0.052 2 H2 GLY 1 2HT GLY 1 -7.678 3.681 0.474 3 H3 GLY 1 3HT GLY 1 -8.561 2.237 0.606 4 HA2 GLY 1 2HA GLY 1 -8.944 2.409 -1.881 5 HA3 GLY 1 1HA GLY 1 -7.654 3.612 -1.850 6 H CYS 2 H CYS 2 -6.158 2.358 -3.002 7 HA CYS 2 HA CYS 2 -5.497 -0.294 -2.752 8 HB2 CYS 2 2HB CYS 2 -4.417 1.386 -4.305 9 HB3 CYS 2 1HB CYS 2 -3.419 1.893 -2.944 10 H ABA 3 H ABA 3 -4.696 2.311 -0.537 11 HA ABA 3 HA ABA 3 -2.725 1.150 1.038 12 HB3 ABA 3 1HB ABA 3 -4.453 2.466 2.825 13 HB2 ABA 3 2HB ABA 3 -4.640 3.303 1.287 14 HG1 ABA 3 HG ABA 3 -2.090 3.562 1.210 15 H SER 4 H SER 4 -6.092 0.331 0.795 16 HA SER 4 HA SER 4 -6.528 -0.941 3.250 17 HB2 SER 4 2HB SER 4 -8.177 -2.359 1.910 18 HB3 SER 4 1HB SER 4 -8.412 -0.614 1.856 19 HG SER 4 HG SER 4 -7.350 -0.583 -0.147 20 H ASP 5 H ASP 5 -4.981 -2.161 0.300 21 HA ASP 5 HA ASP 5 -4.697 -4.839 1.352 22 HB2 ASP 5 2HB ASP 5 -4.348 -3.589 -1.180 23 HB3 ASP 5 1HB ASP 5 -2.823 -4.341 -0.748 24 HA PRO 6 HA PRO 6 -1.273 -3.777 4.057 25 HB2 PRO 6 2HB PRO 6 -0.821 -6.718 3.748 26 HB3 PRO 6 1HB PRO 6 -0.903 -5.743 5.227 27 HG2 PRO 6 2HG PRO 6 -2.916 -7.327 4.453 28 HG3 PRO 6 1HG PRO 6 -3.191 -5.792 5.292 29 HD2 PRO 6 2HD PRO 6 -3.658 -6.483 2.442 30 HD3 PRO 6 1HD PRO 6 -4.440 -5.244 3.447 31 H ARG 7 H ARG 7 -1.134 -5.620 1.097 32 HA ARG 7 HA ARG 7 1.713 -5.584 0.806 33 HB2 ARG 7 2HB ARG 7 -0.634 -6.371 -0.846 34 HB3 ARG 7 1HB ARG 7 0.888 -6.067 -1.678 35 HG2 ARG 7 2HG ARG 7 1.147 -7.693 0.777 36 HG3 ARG 7 1HG ARG 7 0.212 -8.459 -0.505 37 HD2 ARG 7 2HD ARG 7 2.830 -8.746 -0.429 38 HD3 ARG 7 1HD ARG 7 2.010 -8.536 -1.969 39 HE ARG 7 HE ARG 7 2.628 -6.094 -1.752 40 HH11 ARG 7 1HH2 ARG 7 4.414 -8.537 -0.094 41 HH12 ARG 7 2HH2 ARG 7 5.876 -7.620 -0.091 42 HH21 ARG 7 1HH1 ARG 7 4.531 -4.948 -1.756 43 HH22 ARG 7 2HH1 ARG 7 5.946 -5.632 -1.012 44 H CYS 8 H CYS 8 -0.894 -3.442 -0.014 45 HA CYS 8 HA CYS 8 0.564 -1.862 -1.928 46 HB2 CYS 8 2HB CYS 8 -2.014 -1.997 -1.535 47 HB3 CYS 8 1HB CYS 8 -1.718 -0.786 -0.288 48 H ASN 9 H ASN 9 0.151 -1.774 1.563 49 HA ASN 9 HA ASN 9 1.161 0.802 2.052 50 HB2 ASN 9 2HB ASN 9 0.051 -0.892 3.680 51 HB3 ASN 9 1HB ASN 9 1.679 -1.522 3.894 52 HD21 ASN 9 1HD2 ASN 9 -0.490 1.015 4.795 53 HD22 ASN 9 2HD2 ASN 9 0.617 1.911 5.716 54 H TYR 10 H TYR 10 2.748 -2.147 1.230 55 HA TYR 10 HA TYR 10 5.412 -1.096 1.859 56 HB2 TYR 10 2HB TYR 10 4.565 -3.730 0.639 57 HB3 TYR 10 1HB TYR 10 6.189 -3.319 1.192 58 HD1 TYR 10 1HD TYR 10 6.334 -2.493 3.718 59 HD2 TYR 10 2HD TYR 10 3.131 -4.824 2.077 60 HE1 TYR 10 1HE TYR 10 5.733 -3.272 5.997 61 HE2 TYR 10 2HE TYR 10 2.531 -5.607 4.354 62 HH TYR 10 HH TYR 10 3.462 -5.840 6.503 63 H ASP 11 H ASP 11 3.296 -1.765 -0.816 64 HA ASP 11 HA ASP 11 5.334 -1.370 -2.837 65 HB2 ASP 11 2HB ASP 11 2.443 -2.099 -2.780 66 HB3 ASP 11 1HB ASP 11 3.086 -1.397 -4.260 67 H HIS 12 H HIS 12 2.773 0.539 -1.325 68 HA HIS 12 HA HIS 12 3.838 2.897 -2.739 69 HB2 HIS 12 2HB HIS 12 1.036 1.864 -2.900 70 HB3 HIS 12 1HB HIS 12 1.327 3.596 -2.982 71 HD2 HIS 12 2HD HIS 12 1.777 0.442 -5.183 72 HE1 HIS 12 1HE HIS 12 3.377 3.713 -7.329 73 HE2 HIS 12 2HE HIS 12 2.738 1.259 -7.481 74 HA PRO 13 HA PRO 13 3.004 3.322 1.962 75 HB2 PRO 13 2HB PRO 13 5.587 4.768 1.536 76 HB3 PRO 13 1HB PRO 13 5.084 3.725 2.879 77 HG2 PRO 13 2HG PRO 13 6.778 2.891 0.983 78 HG3 PRO 13 1HG PRO 13 5.628 1.804 1.776 79 HD2 PRO 13 2HD PRO 13 5.593 2.867 -0.993 80 HD3 PRO 13 1HD PRO 13 4.839 1.398 -0.338 81 H GLU 14 H GLU 14 4.114 5.481 -0.600 82 HA GLU 14 HA GLU 14 3.517 7.969 0.532 83 HB2 GLU 14 2HB GLU 14 4.419 7.019 -1.932 84 HB3 GLU 14 1HB GLU 14 2.920 7.868 -2.311 85 HG2 GLU 14 2HG GLU 14 4.710 9.257 -0.396 86 HG3 GLU 14 1HG GLU 14 5.334 9.100 -2.034 87 H ILE 15 H ILE 15 1.401 5.558 -0.849 88 HA ILE 15 HA ILE 15 -0.860 7.273 -1.252 89 HB ILE 15 HB ILE 15 -0.529 4.281 -1.041 90 HG12 ILE 15 2HG1 ILE 15 -1.096 6.224 -3.286 91 HG13 ILE 15 1HG1 ILE 15 0.387 5.309 -3.046 92 HG21 ILE 15 1HG2 ILE 15 -3.035 5.893 -1.629 93 HG22 ILE 15 2HG2 ILE 15 -2.781 4.831 -0.243 94 HG23 ILE 15 3HG2 ILE 15 -2.878 4.155 -1.867 95 HD11 ILE 15 3HD1 ILE 15 -0.747 4.019 -4.642 96 HD12 ILE 15 1HD1 ILE 15 -2.320 4.322 -3.900 97 HD13 ILE 15 2HD1 ILE 15 -1.178 3.224 -3.127 98 H ABA 16 H ABA 16 0.222 5.174 1.341 99 HA ABA 16 HA ABA 16 -2.096 5.929 2.992 100 HB3 ABA 16 1HB ABA 16 -0.703 4.206 4.550 101 HB2 ABA 16 2HB ABA 16 -0.179 3.671 2.954 102 HG1 ABA 16 HG ABA 16 -2.800 3.182 4.159 103 HN1 NH2 17 2H ABA 16 1.471 7.426 4.259 104 HN2 NH2 17 1H ABA 16 1.412 6.432 2.883
Contact the webmaster for help, if required. Monday, May 20, 2024 4:14:19 PM GMT (wattos1)