NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
583747 | 2mto | 25174 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -6.427 1.867 -9.193 2 H2 GLY 1 HT2 GLY 1 -5.768 0.536 -10.017 3 H3 GLY 1 HT3 GLY 1 -5.677 2.090 -10.699 4 HA2 GLY 1 HA2 GLY 1 -3.767 2.490 -9.689 5 HA3 GLY 1 HA1 GLY 1 -4.522 2.149 -8.131 6 H ABA 2 H ABA 2 -1.872 1.374 -9.512 7 HA ABA 2 HA ABA 2 -1.878 -1.434 -9.883 8 HB3 ABA 2 HB1 ABA 2 0.022 0.693 -9.964 9 HB2 ABA 2 HB2 ABA 2 0.186 -0.939 -10.597 10 HG1 ABA 2 HG ABA 2 1.255 0.129 -7.994 11 H CYS 3 H CYS 3 -1.342 0.625 -7.055 12 HA CYS 3 HA CYS 3 -0.465 -1.370 -5.274 13 HB2 CYS 3 HB2 CYS 3 -1.909 1.244 -4.842 14 HB3 CYS 3 HB1 CYS 3 -1.354 0.226 -3.516 15 H SER 4 H SER 4 -3.693 -0.227 -6.133 16 HA SER 4 HA SER 4 -5.111 -1.736 -4.201 17 HB2 SER 4 HB2 SER 4 -7.077 -1.282 -5.573 18 HB3 SER 4 HB1 SER 4 -6.083 0.168 -5.452 19 HG SER 4 HG SER 4 -5.669 0.045 -7.518 20 H ASP 5 H ASP 5 -4.040 -2.457 -7.493 21 HA ASP 5 HA ASP 5 -5.339 -5.039 -7.443 22 HB2 ASP 5 HB2 ASP 5 -3.584 -3.729 -9.507 23 HB3 ASP 5 HB1 ASP 5 -4.361 -5.290 -9.719 24 HA PRO 6 HA PRO 6 -1.799 -7.247 -5.885 25 HB2 PRO 6 HB2 PRO 6 -2.240 -9.713 -7.010 26 HB3 PRO 6 HB1 PRO 6 -3.141 -9.092 -5.617 27 HG2 PRO 6 HG2 PRO 6 -3.924 -9.215 -8.465 28 HG3 PRO 6 HG1 PRO 6 -4.902 -9.467 -7.014 29 HD2 PRO 6 HD2 PRO 6 -4.965 -7.153 -8.465 30 HD3 PRO 6 HD1 PRO 6 -5.290 -7.217 -6.730 31 H ARG 7 H ARG 7 -2.426 -7.041 -9.297 32 HA ARG 7 HA ARG 7 -0.129 -8.310 -10.307 33 HB2 ARG 7 HB2 ARG 7 -0.571 -7.142 -12.361 34 HB3 ARG 7 HB1 ARG 7 -2.127 -7.580 -11.649 35 HG2 ARG 7 HG2 ARG 7 -2.191 -5.278 -10.600 36 HG3 ARG 7 HG1 ARG 7 -0.775 -4.873 -11.568 37 HD2 ARG 7 HD2 ARG 7 -2.759 -4.136 -12.757 38 HD3 ARG 7 HD1 ARG 7 -2.052 -5.497 -13.622 39 HE ARG 7 HE ARG 7 -4.028 -6.377 -11.753 40 HH11 ARG 7 1HH2 ARG 7 -3.546 -4.867 -14.829 41 HH12 ARG 7 2HH2 ARG 7 -5.054 -5.411 -15.486 42 HH21 ARG 7 1HH1 ARG 7 -6.006 -7.094 -12.608 43 HH22 ARG 7 2HH1 ARG 7 -6.447 -6.672 -14.229 44 H ABA 8 H ABA 8 -0.562 -5.334 -8.649 45 HA ABA 8 HA ABA 8 2.279 -4.676 -9.156 46 HB3 ABA 8 HB1 ABA 8 -0.133 -2.965 -9.453 47 HB2 ABA 8 HB2 ABA 8 1.399 -2.909 -10.310 48 HG1 ABA 8 HG ABA 8 2.126 -2.087 -7.710 49 H ARG 9 H ARG 9 2.997 -5.574 -7.264 50 HA ARG 9 HA ARG 9 1.773 -4.751 -4.735 51 HB2 ARG 9 HB2 ARG 9 3.973 -6.707 -5.406 52 HB3 ARG 9 HB1 ARG 9 3.455 -6.329 -3.760 53 HG2 ARG 9 HG2 ARG 9 1.221 -7.121 -4.207 54 HG3 ARG 9 HG1 ARG 9 1.578 -7.297 -5.927 55 HD2 ARG 9 HD2 ARG 9 1.694 -9.488 -4.861 56 HD3 ARG 9 HD1 ARG 9 3.312 -8.995 -5.349 57 HE ARG 9 HE ARG 9 2.789 -8.192 -2.665 58 HH11 ARG 9 1HH2 ARG 9 3.486 -10.923 -4.672 59 HH12 ARG 9 2HH2 ARG 9 4.258 -11.826 -3.412 60 HH21 ARG 9 1HH1 ARG 9 3.799 -9.370 -1.007 61 HH22 ARG 9 2HH1 ARG 9 4.436 -10.947 -1.337 62 H TYR 10 H TYR 10 2.553 -2.505 -5.481 63 HA TYR 10 HA TYR 10 5.310 -1.846 -5.309 64 HB2 TYR 10 HB2 TYR 10 2.901 -0.485 -5.898 65 HB3 TYR 10 HB1 TYR 10 3.629 0.367 -4.538 66 HD1 TYR 10 HD2 TYR 10 4.294 -0.926 -7.966 67 HD2 TYR 10 HD1 TYR 10 5.586 1.689 -4.813 68 HE1 TYR 10 HE2 TYR 10 5.956 0.096 -9.495 69 HE2 TYR 10 HE1 TYR 10 7.248 2.711 -6.342 70 HH TYR 10 HH TYR 10 7.653 1.520 -9.677 71 H ARG 11 H ARG 11 5.356 0.310 -3.531 72 HA ARG 11 HA ARG 11 6.003 -0.997 -1.094 73 HB2 ARG 11 HB2 ARG 11 5.689 1.934 -1.786 74 HB3 ARG 11 HB1 ARG 11 6.275 1.347 -0.230 75 HG2 ARG 11 HG2 ARG 11 8.119 0.165 -1.352 76 HG3 ARG 11 HG1 ARG 11 7.530 0.724 -2.918 77 HD2 ARG 11 HD2 ARG 11 7.865 3.063 -2.213 78 HD3 ARG 11 HD1 ARG 11 8.451 2.509 -0.647 79 HE ARG 11 HE ARG 11 9.999 1.275 -2.645 80 HH11 ARG 11 1HH2 ARG 11 9.311 4.404 -1.335 81 HH12 ARG 11 2HH2 ARG 11 10.872 5.055 -1.709 82 HH21 ARG 11 1HH1 ARG 11 12.048 2.123 -3.138 83 HH22 ARG 11 2HH1 ARG 11 12.422 3.764 -2.729 84 H CYS 12 H CYS 12 3.063 0.042 -2.384 85 HA CYS 12 HA CYS 12 1.676 0.943 -0.097 86 HB2 CYS 12 HB2 CYS 12 0.563 -0.583 -2.458 87 HB3 CYS 12 HB1 CYS 12 -0.346 0.439 -1.343 88 H ARG 13 H ARG 13 2.758 -0.662 1.368 89 HA ARG 13 HA ARG 13 1.683 -3.364 1.329 90 HB2 ARG 13 HB2 ARG 13 3.558 -1.932 3.222 91 HB3 ARG 13 HB1 ARG 13 3.047 -3.612 3.426 92 HG2 ARG 13 HG2 ARG 13 4.011 -4.221 1.282 93 HG3 ARG 13 HG1 ARG 13 4.395 -2.535 0.933 94 HD2 ARG 13 HD2 ARG 13 6.399 -3.686 1.730 95 HD3 ARG 13 HD1 ARG 13 5.889 -2.485 2.913 96 HE ARG 13 HE ARG 13 4.738 -5.028 3.498 97 HH11 ARG 13 1HH2 ARG 13 7.679 -3.209 3.591 98 HH12 ARG 13 2HH2 ARG 13 8.339 -4.082 4.933 99 HH21 ARG 13 1HH1 ARG 13 5.596 -6.178 5.258 100 HH22 ARG 13 2HH1 ARG 13 7.160 -5.763 5.877 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -5.767 1.570 -10.660 2 H2 GLY 1 HT2 GLY 1 -6.387 2.174 -9.198 3 H3 GLY 1 HT3 GLY 1 -5.963 0.534 -9.331 4 HA2 GLY 1 HA2 GLY 1 -3.847 2.442 -9.909 5 HA3 GLY 1 HA1 GLY 1 -4.379 2.353 -8.230 6 H ABA 2 H ABA 2 -1.835 1.461 -9.458 7 HA ABA 2 HA ABA 2 -1.854 -1.403 -9.535 8 HB3 ABA 2 HB1 ABA 2 0.058 0.733 -9.936 9 HB2 ABA 2 HB2 ABA 2 0.085 -0.907 -10.567 10 HG1 ABA 2 HG ABA 2 1.477 0.136 -8.119 11 H CYS 3 H CYS 3 -1.645 0.992 -7.069 12 HA CYS 3 HA CYS 3 -0.333 -0.471 -5.052 13 HB2 CYS 3 HB2 CYS 3 -2.188 1.877 -5.069 14 HB3 CYS 3 HB1 CYS 3 -1.749 1.135 -3.539 15 H SER 4 H SER 4 -3.721 -0.305 -5.989 16 HA SER 4 HA SER 4 -4.531 -2.026 -3.784 17 HB2 SER 4 HB2 SER 4 -6.780 -1.692 -4.631 18 HB3 SER 4 HB1 SER 4 -5.951 -0.137 -4.584 19 HG SER 4 HG SER 4 -6.098 -1.822 -6.866 20 H ASP 5 H ASP 5 -3.816 -2.286 -7.209 21 HA ASP 5 HA ASP 5 -5.114 -4.791 -7.584 22 HB2 ASP 5 HB2 ASP 5 -2.934 -3.456 -9.189 23 HB3 ASP 5 HB1 ASP 5 -3.852 -4.867 -9.708 24 HA PRO 6 HA PRO 6 -1.942 -7.411 -5.851 25 HB2 PRO 6 HB2 PRO 6 -2.486 -9.756 -7.127 26 HB3 PRO 6 HB1 PRO 6 -3.512 -9.094 -5.842 27 HG2 PRO 6 HG2 PRO 6 -3.900 -9.040 -8.777 28 HG3 PRO 6 HG1 PRO 6 -5.087 -9.265 -7.485 29 HD2 PRO 6 HD2 PRO 6 -4.718 -6.880 -8.806 30 HD3 PRO 6 HD1 PRO 6 -5.346 -7.009 -7.153 31 H ARG 7 H ARG 7 -2.257 -7.126 -9.336 32 HA ARG 7 HA ARG 7 0.104 -8.490 -10.082 33 HB2 ARG 7 HB2 ARG 7 -0.112 -7.077 -12.181 34 HB3 ARG 7 HB1 ARG 7 -1.522 -8.056 -11.766 35 HG2 ARG 7 HG2 ARG 7 -2.811 -6.236 -11.296 36 HG3 ARG 7 HG1 ARG 7 -1.473 -5.348 -10.565 37 HD2 ARG 7 HD2 ARG 7 -1.667 -5.824 -13.543 38 HD3 ARG 7 HD1 ARG 7 -2.368 -4.407 -12.763 39 HE ARG 7 HE ARG 7 0.268 -4.565 -11.890 40 HH11 ARG 7 1HH2 ARG 7 -1.479 -4.238 -14.860 41 HH12 ARG 7 2HH2 ARG 7 -0.243 -3.313 -15.648 42 HH21 ARG 7 1HH1 ARG 7 1.893 -3.349 -12.918 43 HH22 ARG 7 2HH1 ARG 7 1.665 -2.809 -14.548 44 H ABA 8 H ABA 8 -0.506 -5.292 -8.861 45 HA ABA 8 HA ABA 8 2.343 -4.601 -9.261 46 HB3 ABA 8 HB1 ABA 8 -0.168 -2.983 -9.283 47 HB2 ABA 8 HB2 ABA 8 1.220 -2.922 -10.365 48 HG1 ABA 8 HG ABA 8 2.286 -2.112 -7.876 49 H ARG 9 H ARG 9 2.874 -5.851 -7.379 50 HA ARG 9 HA ARG 9 1.801 -5.123 -4.802 51 HB2 ARG 9 HB2 ARG 9 2.755 -7.403 -5.513 52 HB3 ARG 9 HB1 ARG 9 4.341 -6.661 -5.294 53 HG2 ARG 9 HG2 ARG 9 3.746 -6.072 -2.970 54 HG3 ARG 9 HG1 ARG 9 2.168 -6.827 -3.189 55 HD2 ARG 9 HD2 ARG 9 3.264 -8.989 -3.648 56 HD3 ARG 9 HD1 ARG 9 4.841 -8.237 -3.426 57 HE ARG 9 HE ARG 9 4.481 -8.255 -1.120 58 HH11 ARG 9 1HH2 ARG 9 1.597 -9.006 -2.877 59 HH12 ARG 9 2HH2 ARG 9 0.709 -9.504 -1.476 60 HH21 ARG 9 1HH1 ARG 9 3.322 -8.906 0.722 61 HH22 ARG 9 2HH1 ARG 9 1.685 -9.448 0.561 62 H TYR 10 H TYR 10 2.546 -2.804 -5.817 63 HA TYR 10 HA TYR 10 5.224 -1.996 -5.451 64 HB2 TYR 10 HB2 TYR 10 2.791 -0.793 -6.237 65 HB3 TYR 10 HB1 TYR 10 3.395 0.159 -4.881 66 HD1 TYR 10 HD1 TYR 10 4.250 -1.191 -8.233 67 HD2 TYR 10 HD2 TYR 10 5.373 1.497 -5.076 68 HE1 TYR 10 HE1 TYR 10 5.948 -0.160 -9.716 69 HE2 TYR 10 HE2 TYR 10 7.072 2.529 -6.559 70 HH TYR 10 HH TYR 10 8.430 1.680 -8.666 71 H ARG 11 H ARG 11 5.025 0.232 -3.761 72 HA ARG 11 HA ARG 11 5.686 -0.887 -1.267 73 HB2 ARG 11 HB2 ARG 11 4.951 1.935 -2.065 74 HB3 ARG 11 HB1 ARG 11 5.514 1.499 -0.452 75 HG2 ARG 11 HG2 ARG 11 7.558 0.477 -1.540 76 HG3 ARG 11 HG1 ARG 11 7.020 1.193 -3.060 77 HD2 ARG 11 HD2 ARG 11 7.511 2.764 -0.518 78 HD3 ARG 11 HD1 ARG 11 8.676 2.614 -1.829 79 HE ARG 11 HE ARG 11 6.219 4.186 -1.856 80 HH11 ARG 11 1HH2 ARG 11 8.825 2.732 -3.611 81 HH12 ARG 11 2HH2 ARG 11 8.664 3.775 -4.983 82 HH21 ARG 11 1HH1 ARG 11 6.003 5.556 -3.654 83 HH22 ARG 11 2HH1 ARG 11 7.066 5.373 -5.009 84 H CYS 12 H CYS 12 2.696 0.483 -2.522 85 HA CYS 12 HA CYS 12 1.245 0.662 -0.135 86 HB2 CYS 12 HB2 CYS 12 0.121 -0.113 -2.825 87 HB3 CYS 12 HB1 CYS 12 -0.722 0.694 -1.504 88 H ARG 13 H ARG 13 -0.624 -1.433 -1.944 89 HA ARG 13 HA ARG 13 -0.103 -3.611 -0.031 90 HB2 ARG 13 HB2 ARG 13 -2.479 -3.074 -1.830 91 HB3 ARG 13 HB1 ARG 13 -2.348 -4.409 -0.680 92 HG2 ARG 13 HG2 ARG 13 -2.209 -2.874 1.184 93 HG3 ARG 13 HG1 ARG 13 -2.123 -1.488 0.096 94 HD2 ARG 13 HD2 ARG 13 -4.396 -1.658 0.909 95 HD3 ARG 13 HD1 ARG 13 -4.379 -2.120 -0.791 96 HE ARG 13 HE ARG 13 -4.045 -4.435 0.799 97 HH11 ARG 13 1HH2 ARG 13 -6.373 -2.014 -0.035 98 HH12 ARG 13 2HH2 ARG 13 -7.739 -3.052 0.200 99 HH21 ARG 13 1HH1 ARG 13 -5.832 -5.801 1.109 100 HH22 ARG 13 2HH1 ARG 13 -7.434 -5.195 0.846 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -6.088 1.443 -9.383 2 H2 GLY 1 HT2 GLY 1 -6.236 2.347 -7.952 3 H3 GLY 1 HT3 GLY 1 -5.902 0.681 -7.879 4 HA2 GLY 1 HA2 GLY 1 -4.039 2.408 -9.342 5 HA3 GLY 1 HA1 GLY 1 -4.002 2.432 -7.579 6 H ABA 2 H ABA 2 -1.784 1.519 -8.803 7 HA ABA 2 HA ABA 2 -1.691 -1.220 -9.432 8 HB3 ABA 2 HB1 ABA 2 0.176 0.919 -9.048 9 HB2 ABA 2 HB2 ABA 2 0.400 -0.592 -9.917 10 HG1 ABA 2 HG ABA 2 1.291 0.051 -7.122 11 H CYS 3 H CYS 3 -1.488 0.493 -6.365 12 HA CYS 3 HA CYS 3 -0.747 -1.664 -4.704 13 HB2 CYS 3 HB2 CYS 3 -0.628 0.534 -3.806 14 HB3 CYS 3 HB1 CYS 3 -2.322 0.854 -4.167 15 H SER 4 H SER 4 -3.945 -0.399 -5.580 16 HA SER 4 HA SER 4 -5.425 -2.298 -4.088 17 HB2 SER 4 HB2 SER 4 -7.342 -1.536 -5.371 18 HB3 SER 4 HB1 SER 4 -6.350 -0.150 -4.930 19 HG SER 4 HG SER 4 -5.336 -0.875 -7.151 20 H ASP 5 H ASP 5 -3.791 -2.469 -7.127 21 HA ASP 5 HA ASP 5 -5.253 -4.885 -7.879 22 HB2 ASP 5 HB2 ASP 5 -3.196 -3.298 -9.402 23 HB3 ASP 5 HB1 ASP 5 -4.072 -4.691 -10.025 24 HA PRO 6 HA PRO 6 -1.951 -7.483 -6.389 25 HB2 PRO 6 HB2 PRO 6 -2.377 -9.706 -7.943 26 HB3 PRO 6 HB1 PRO 6 -3.407 -9.266 -6.571 27 HG2 PRO 6 HG2 PRO 6 -3.862 -8.883 -9.470 28 HG3 PRO 6 HG1 PRO 6 -5.009 -9.316 -8.194 29 HD2 PRO 6 HD2 PRO 6 -4.807 -6.788 -9.236 30 HD3 PRO 6 HD1 PRO 6 -5.359 -7.127 -7.589 31 H ARG 7 H ARG 7 -2.256 -6.781 -9.803 32 HA ARG 7 HA ARG 7 0.123 -7.962 -10.731 33 HB2 ARG 7 HB2 ARG 7 -0.077 -6.335 -12.609 34 HB3 ARG 7 HB1 ARG 7 -1.582 -7.198 -12.280 35 HG2 ARG 7 HG2 ARG 7 -2.662 -5.288 -11.764 36 HG3 ARG 7 HG1 ARG 7 -1.374 -4.770 -10.675 37 HD2 ARG 7 HD2 ARG 7 -1.186 -4.566 -13.688 38 HD3 ARG 7 HD1 ARG 7 -1.770 -3.255 -12.665 39 HE ARG 7 HE ARG 7 0.674 -4.042 -11.603 40 HH11 ARG 7 1HH2 ARG 7 -0.594 -2.810 -14.580 41 HH12 ARG 7 2HH2 ARG 7 0.857 -1.970 -15.013 42 HH21 ARG 7 1HH1 ARG 7 2.583 -2.939 -12.167 43 HH22 ARG 7 2HH1 ARG 7 2.656 -2.042 -13.647 44 H ABA 8 H ABA 8 -0.435 -5.261 -8.726 45 HA ABA 8 HA ABA 8 2.411 -4.502 -8.977 46 HB3 ABA 8 HB1 ABA 8 -0.022 -2.797 -9.091 47 HB2 ABA 8 HB2 ABA 8 1.542 -2.583 -9.865 48 HG1 ABA 8 HG ABA 8 2.125 -2.204 -7.118 49 H ARG 9 H ARG 9 2.908 -5.862 -7.253 50 HA ARG 9 HA ARG 9 1.658 -5.302 -4.668 51 HB2 ARG 9 HB2 ARG 9 2.161 -7.670 -5.610 52 HB3 ARG 9 HB1 ARG 9 3.830 -7.327 -5.142 53 HG2 ARG 9 HG2 ARG 9 3.129 -6.904 -2.838 54 HG3 ARG 9 HG1 ARG 9 1.444 -7.145 -3.289 55 HD2 ARG 9 HD2 ARG 9 1.993 -9.472 -3.981 56 HD3 ARG 9 HD1 ARG 9 3.648 -9.218 -3.433 57 HE ARG 9 HE ARG 9 1.309 -9.626 -1.756 58 HH11 ARG 9 1HH2 ARG 9 4.567 -8.493 -2.032 59 HH12 ARG 9 2HH2 ARG 9 4.913 -8.654 -0.342 60 HH21 ARG 9 1HH1 ARG 9 1.755 -9.842 0.461 61 HH22 ARG 9 2HH1 ARG 9 3.320 -9.419 1.069 62 H TYR 10 H TYR 10 3.254 -3.268 -5.828 63 HA TYR 10 HA TYR 10 5.840 -3.332 -4.498 64 HB2 TYR 10 HB2 TYR 10 4.461 -1.231 -6.184 65 HB3 TYR 10 HB1 TYR 10 6.061 -1.023 -5.472 66 HD1 TYR 10 HD2 TYR 10 7.970 -2.351 -6.237 67 HD2 TYR 10 HD1 TYR 10 4.083 -2.816 -8.003 68 HE1 TYR 10 HE2 TYR 10 8.979 -3.596 -8.130 69 HE2 TYR 10 HE1 TYR 10 5.091 -4.061 -9.896 70 HH TYR 10 HH TYR 10 6.952 -5.031 -10.673 71 H ARG 11 H ARG 11 6.141 -0.704 -3.712 72 HA ARG 11 HA ARG 11 5.173 -0.711 -1.097 73 HB2 ARG 11 HB2 ARG 11 6.099 1.581 -2.828 74 HB3 ARG 11 HB1 ARG 11 5.783 1.727 -1.101 75 HG2 ARG 11 HG2 ARG 11 7.457 0.005 -0.623 76 HG3 ARG 11 HG1 ARG 11 7.741 -0.217 -2.348 77 HD2 ARG 11 HD2 ARG 11 9.476 1.233 -1.428 78 HD3 ARG 11 HD1 ARG 11 8.445 2.166 -2.508 79 HE ARG 11 HE ARG 11 7.684 3.381 -0.667 80 HH11 ARG 11 1HH2 ARG 11 9.459 0.570 0.295 81 HH12 ARG 11 2HH2 ARG 11 9.540 1.023 1.964 82 HH21 ARG 11 1HH1 ARG 11 7.787 3.982 1.521 83 HH22 ARG 11 2HH1 ARG 11 8.593 2.955 2.659 84 H CYS 12 H CYS 12 3.449 0.191 -0.099 85 HA CYS 12 HA CYS 12 1.533 1.800 -1.583 86 HB2 CYS 12 HB2 CYS 12 0.814 -0.432 -2.173 87 HB3 CYS 12 HB1 CYS 12 0.837 -0.931 -0.483 88 H ARG 13 H ARG 13 1.219 3.419 -0.228 89 HA ARG 13 HA ARG 13 0.292 2.894 2.477 90 HB2 ARG 13 HB2 ARG 13 1.975 4.093 3.633 91 HB3 ARG 13 HB1 ARG 13 2.857 3.042 2.524 92 HG2 ARG 13 HG2 ARG 13 2.251 5.996 2.131 93 HG3 ARG 13 HG1 ARG 13 3.828 5.270 2.407 94 HD2 ARG 13 HD2 ARG 13 3.355 3.878 0.284 95 HD3 ARG 13 HD1 ARG 13 2.068 5.035 -0.031 96 HE ARG 13 HE ARG 13 3.690 6.666 -0.482 97 HH11 ARG 13 1HH2 ARG 13 5.066 3.773 0.829 98 HH12 ARG 13 2HH2 ARG 13 6.698 4.216 0.457 99 HH21 ARG 13 1HH1 ARG 13 5.830 7.254 -0.972 100 HH22 ARG 13 2HH1 ARG 13 7.130 6.188 -0.562 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -5.887 1.788 -10.658 2 H2 GLY 1 HT2 GLY 1 -6.540 1.815 -9.090 3 H3 GLY 1 HT3 GLY 1 -5.954 0.361 -9.744 4 HA2 GLY 1 HA2 GLY 1 -3.943 2.368 -9.798 5 HA3 GLY 1 HA1 GLY 1 -4.565 2.127 -8.164 6 H ABA 2 H ABA 2 -1.984 1.335 -9.552 7 HA ABA 2 HA ABA 2 -1.914 -1.475 -9.856 8 HB3 ABA 2 HB1 ABA 2 -0.059 0.701 -9.945 9 HB2 ABA 2 HB2 ABA 2 0.128 -0.923 -10.587 10 HG1 ABA 2 HG ABA 2 1.209 0.148 -7.992 11 H CYS 3 H CYS 3 -1.420 0.642 -7.061 12 HA CYS 3 HA CYS 3 -0.483 -1.293 -5.251 13 HB2 CYS 3 HB2 CYS 3 -2.035 1.269 -4.845 14 HB3 CYS 3 HB1 CYS 3 -1.402 0.298 -3.517 15 H SER 4 H SER 4 -3.750 -0.269 -6.117 16 HA SER 4 HA SER 4 -5.089 -1.846 -4.167 17 HB2 SER 4 HB2 SER 4 -7.100 -1.406 -5.487 18 HB3 SER 4 HB1 SER 4 -6.147 0.066 -5.318 19 HG SER 4 HG SER 4 -6.031 -1.719 -7.527 20 H ASP 5 H ASP 5 -4.054 -2.448 -7.491 21 HA ASP 5 HA ASP 5 -5.330 -5.031 -7.550 22 HB2 ASP 5 HB2 ASP 5 -3.494 -3.689 -9.517 23 HB3 ASP 5 HB1 ASP 5 -4.314 -5.218 -9.798 24 HA PRO 6 HA PRO 6 -1.836 -7.308 -5.953 25 HB2 PRO 6 HB2 PRO 6 -2.280 -9.752 -7.138 26 HB3 PRO 6 HB1 PRO 6 -3.218 -9.151 -5.761 27 HG2 PRO 6 HG2 PRO 6 -3.911 -9.208 -8.635 28 HG3 PRO 6 HG1 PRO 6 -4.937 -9.482 -7.220 29 HD2 PRO 6 HD2 PRO 6 -4.928 -7.137 -8.624 30 HD3 PRO 6 HD1 PRO 6 -5.317 -7.238 -6.903 31 H ARG 7 H ARG 7 -2.394 -7.053 -9.379 32 HA ARG 7 HA ARG 7 -0.064 -8.308 -10.336 33 HB2 ARG 7 HB2 ARG 7 -0.483 -7.168 -12.409 34 HB3 ARG 7 HB1 ARG 7 -2.048 -7.604 -11.719 35 HG2 ARG 7 HG2 ARG 7 -2.191 -5.302 -10.738 36 HG3 ARG 7 HG1 ARG 7 -0.714 -4.886 -11.596 37 HD2 ARG 7 HD2 ARG 7 -2.601 -4.157 -12.926 38 HD3 ARG 7 HD1 ARG 7 -1.823 -5.497 -13.738 39 HE ARG 7 HE ARG 7 -4.412 -5.614 -12.319 40 HH11 ARG 7 1HH2 ARG 7 -1.979 -7.086 -14.299 41 HH12 ARG 7 2HH2 ARG 7 -2.982 -8.404 -14.783 42 HH21 ARG 7 1HH1 ARG 7 -5.728 -7.348 -12.953 43 HH22 ARG 7 2HH1 ARG 7 -5.102 -8.558 -14.022 44 H ABA 8 H ABA 8 -0.566 -5.347 -8.664 45 HA ABA 8 HA ABA 8 2.273 -4.643 -9.145 46 HB3 ABA 8 HB1 ABA 8 -0.167 -2.969 -9.430 47 HB2 ABA 8 HB2 ABA 8 1.353 -2.894 -10.307 48 HG1 ABA 8 HG ABA 8 2.103 -2.069 -7.716 49 H ARG 9 H ARG 9 2.931 -5.584 -7.241 50 HA ARG 9 HA ARG 9 1.690 -4.708 -4.738 51 HB2 ARG 9 HB2 ARG 9 3.817 -6.760 -5.365 52 HB3 ARG 9 HB1 ARG 9 3.310 -6.339 -3.726 53 HG2 ARG 9 HG2 ARG 9 1.030 -7.013 -4.201 54 HG3 ARG 9 HG1 ARG 9 1.429 -7.281 -5.896 55 HD2 ARG 9 HD2 ARG 9 1.401 -9.423 -4.706 56 HD3 ARG 9 HD1 ARG 9 3.044 -9.042 -5.213 57 HE ARG 9 HE ARG 9 3.639 -8.805 -2.970 58 HH11 ARG 9 1HH2 ARG 9 0.205 -8.947 -3.377 59 HH12 ARG 9 2HH2 ARG 9 -0.128 -9.096 -1.684 60 HH21 ARG 9 1HH1 ARG 9 3.209 -9.001 -0.748 61 HH22 ARG 9 2HH1 ARG 9 1.572 -9.127 -0.196 62 H TYR 10 H TYR 10 2.535 -2.496 -5.402 63 HA TYR 10 HA TYR 10 5.335 -1.962 -5.199 64 HB2 TYR 10 HB2 TYR 10 2.905 -0.452 -5.701 65 HB3 TYR 10 HB1 TYR 10 3.972 0.414 -4.597 66 HD1 TYR 10 HD1 TYR 10 6.516 0.454 -5.255 67 HD2 TYR 10 HD2 TYR 10 3.313 -0.333 -8.007 68 HE1 TYR 10 HE1 TYR 10 7.990 1.077 -7.151 69 HE2 TYR 10 HE2 TYR 10 4.786 0.289 -9.901 70 HH TYR 10 HH TYR 10 7.282 2.024 -9.793 71 H ARG 11 H ARG 11 5.601 0.138 -3.489 72 HA ARG 11 HA ARG 11 6.002 -1.108 -0.998 73 HB2 ARG 11 HB2 ARG 11 5.923 1.817 -1.768 74 HB3 ARG 11 HB1 ARG 11 6.460 1.207 -0.204 75 HG2 ARG 11 HG2 ARG 11 8.235 -0.083 -1.263 76 HG3 ARG 11 HG1 ARG 11 7.657 0.387 -2.863 77 HD2 ARG 11 HD2 ARG 11 9.547 1.793 -2.241 78 HD3 ARG 11 HD1 ARG 11 8.086 2.756 -2.300 79 HE ARG 11 HE ARG 11 9.460 1.876 0.157 80 HH11 ARG 11 1HH2 ARG 11 7.045 3.763 -1.450 81 HH12 ARG 11 2HH2 ARG 11 6.708 4.748 -0.075 82 HH21 ARG 11 1HH1 ARG 11 9.021 3.174 1.968 83 HH22 ARG 11 2HH1 ARG 11 7.821 4.419 1.861 84 H CYS 12 H CYS 12 3.181 -0.036 -2.409 85 HA CYS 12 HA CYS 12 1.782 1.185 -0.308 86 HB2 CYS 12 HB2 CYS 12 0.824 -0.536 -2.606 87 HB3 CYS 12 HB1 CYS 12 -0.263 0.300 -1.490 88 H ARG 13 H ARG 13 2.256 -2.206 -1.134 89 HA ARG 13 HA ARG 13 0.631 -3.098 1.115 90 HB2 ARG 13 HB2 ARG 13 2.370 -4.908 -0.538 91 HB3 ARG 13 HB1 ARG 13 0.814 -5.247 0.227 92 HG2 ARG 13 HG2 ARG 13 1.269 -3.456 -2.181 93 HG3 ARG 13 HG1 ARG 13 0.503 -5.043 -2.195 94 HD2 ARG 13 HD2 ARG 13 -0.525 -2.535 -0.834 95 HD3 ARG 13 HD1 ARG 13 -1.245 -3.368 -2.207 96 HE ARG 13 HE ARG 13 -1.131 -5.259 -0.197 97 HH11 ARG 13 1HH2 ARG 13 -2.475 -2.104 -0.652 98 HH12 ARG 13 2HH2 ARG 13 -3.813 -2.369 0.414 99 HH21 ARG 13 1HH1 ARG 13 -2.883 -5.613 1.205 100 HH22 ARG 13 2HH1 ARG 13 -4.044 -4.356 1.466 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -6.327 2.337 -8.424 2 H2 GLY 1 HT2 GLY 1 -6.009 0.669 -8.461 3 H3 GLY 1 HT3 GLY 1 -5.761 1.614 -9.850 4 HA2 GLY 1 HA2 GLY 1 -3.845 2.569 -9.058 5 HA3 GLY 1 HA1 GLY 1 -4.296 2.255 -7.382 6 H ABA 2 H ABA 2 -1.807 1.549 -8.741 7 HA ABA 2 HA ABA 2 -1.710 -1.177 -9.438 8 HB3 ABA 2 HB1 ABA 2 0.146 0.962 -9.032 9 HB2 ABA 2 HB2 ABA 2 0.380 -0.540 -9.912 10 HG1 ABA 2 HG ABA 2 1.277 0.092 -7.117 11 H CYS 3 H CYS 3 -1.454 0.472 -6.329 12 HA CYS 3 HA CYS 3 -0.706 -1.728 -4.731 13 HB2 CYS 3 HB2 CYS 3 -0.577 0.474 -3.813 14 HB3 CYS 3 HB1 CYS 3 -2.288 0.766 -4.094 15 H SER 4 H SER 4 -3.902 -0.426 -5.549 16 HA SER 4 HA SER 4 -5.397 -2.327 -4.086 17 HB2 SER 4 HB2 SER 4 -7.302 -1.563 -5.399 18 HB3 SER 4 HB1 SER 4 -6.316 -0.183 -4.925 19 HG SER 4 HG SER 4 -6.004 0.200 -6.959 20 H ASP 5 H ASP 5 -3.798 -2.481 -7.163 21 HA ASP 5 HA ASP 5 -5.248 -4.902 -7.894 22 HB2 ASP 5 HB2 ASP 5 -3.203 -3.318 -9.431 23 HB3 ASP 5 HB1 ASP 5 -4.082 -4.709 -10.049 24 HA PRO 6 HA PRO 6 -1.939 -7.518 -6.435 25 HB2 PRO 6 HB2 PRO 6 -2.344 -9.722 -8.023 26 HB3 PRO 6 HB1 PRO 6 -3.374 -9.309 -6.643 27 HG2 PRO 6 HG2 PRO 6 -3.837 -8.891 -9.532 28 HG3 PRO 6 HG1 PRO 6 -4.979 -9.347 -8.260 29 HD2 PRO 6 HD2 PRO 6 -4.800 -6.809 -9.270 30 HD3 PRO 6 HD1 PRO 6 -5.339 -7.172 -7.625 31 H ARG 7 H ARG 7 -2.242 -6.776 -9.836 32 HA ARG 7 HA ARG 7 0.142 -7.921 -10.774 33 HB2 ARG 7 HB2 ARG 7 -0.058 -6.268 -12.624 34 HB3 ARG 7 HB1 ARG 7 -1.571 -7.124 -12.309 35 HG2 ARG 7 HG2 ARG 7 -2.630 -5.204 -11.790 36 HG3 ARG 7 HG1 ARG 7 -1.366 -4.736 -10.653 37 HD2 ARG 7 HD2 ARG 7 -1.134 -4.431 -13.658 38 HD3 ARG 7 HD1 ARG 7 -1.665 -3.144 -12.578 39 HE ARG 7 HE ARG 7 0.748 -4.084 -11.563 40 HH11 ARG 7 1HH2 ARG 7 -0.484 -2.629 -14.452 41 HH12 ARG 7 2HH2 ARG 7 0.994 -1.817 -14.843 42 HH21 ARG 7 1HH1 ARG 7 2.695 -3.019 -12.071 43 HH22 ARG 7 2HH1 ARG 7 2.795 -2.038 -13.495 44 H ABA 8 H ABA 8 -0.461 -5.203 -8.754 45 HA ABA 8 HA ABA 8 2.403 -4.470 -8.943 46 HB3 ABA 8 HB1 ABA 8 -0.022 -2.751 -9.100 47 HB2 ABA 8 HB2 ABA 8 1.549 -2.550 -9.861 48 HG1 ABA 8 HG ABA 8 2.128 -2.153 -7.123 49 H ARG 9 H ARG 9 2.800 -5.872 -7.180 50 HA ARG 9 HA ARG 9 1.516 -5.206 -4.637 51 HB2 ARG 9 HB2 ARG 9 1.885 -7.614 -5.538 52 HB3 ARG 9 HB1 ARG 9 3.560 -7.375 -5.028 53 HG2 ARG 9 HG2 ARG 9 2.820 -6.864 -2.750 54 HG3 ARG 9 HG1 ARG 9 1.139 -7.019 -3.250 55 HD2 ARG 9 HD2 ARG 9 1.569 -9.383 -3.880 56 HD3 ARG 9 HD1 ARG 9 3.225 -9.215 -3.304 57 HE ARG 9 HE ARG 9 1.482 -8.457 -1.226 58 HH11 ARG 9 1HH2 ARG 9 2.410 -11.223 -3.087 59 HH12 ARG 9 2HH2 ARG 9 2.080 -12.359 -1.821 60 HH21 ARG 9 1HH1 ARG 9 1.047 -9.940 0.439 61 HH22 ARG 9 2HH1 ARG 9 1.308 -11.631 0.175 62 H TYR 10 H TYR 10 3.253 -3.292 -5.763 63 HA TYR 10 HA TYR 10 5.782 -3.511 -4.322 64 HB2 TYR 10 HB2 TYR 10 4.706 -1.311 -6.107 65 HB3 TYR 10 HB1 TYR 10 6.335 -1.378 -5.429 66 HD1 TYR 10 HD2 TYR 10 7.940 -3.108 -6.159 67 HD2 TYR 10 HD1 TYR 10 4.046 -2.752 -7.937 68 HE1 TYR 10 HE2 TYR 10 8.672 -4.537 -8.049 69 HE2 TYR 10 HE1 TYR 10 4.777 -4.182 -9.826 70 HH TYR 10 HH TYR 10 7.181 -6.159 -9.809 71 H ARG 11 H ARG 11 6.162 -0.772 -3.758 72 HA ARG 11 HA ARG 11 5.292 -0.533 -1.166 73 HB2 ARG 11 HB2 ARG 11 6.105 1.484 -3.221 74 HB3 ARG 11 HB1 ARG 11 5.517 2.031 -1.653 75 HG2 ARG 11 HG2 ARG 11 7.580 -0.134 -1.710 76 HG3 ARG 11 HG1 ARG 11 8.090 1.518 -2.037 77 HD2 ARG 11 HD2 ARG 11 6.452 0.748 0.386 78 HD3 ARG 11 HD1 ARG 11 8.209 0.843 0.401 79 HE ARG 11 HE ARG 11 7.262 3.265 -0.623 80 HH11 ARG 11 1HH2 ARG 11 7.101 1.386 2.279 81 HH12 ARG 11 2HH2 ARG 11 6.947 2.759 3.323 82 HH21 ARG 11 1HH1 ARG 11 7.062 5.071 0.741 83 HH22 ARG 11 2HH1 ARG 11 6.925 4.845 2.453 84 H CYS 12 H CYS 12 3.663 0.633 -0.146 85 HA CYS 12 HA CYS 12 1.529 1.926 -1.521 86 HB2 CYS 12 HB2 CYS 12 0.950 -0.310 -2.242 87 HB3 CYS 12 HB1 CYS 12 1.034 -0.904 -0.586 88 H ARG 13 H ARG 13 1.443 -0.290 1.242 89 HA ARG 13 HA ARG 13 0.345 1.796 2.941 90 HB2 ARG 13 HB2 ARG 13 1.158 -0.963 3.853 91 HB3 ARG 13 HB1 ARG 13 -0.109 0.084 4.498 92 HG2 ARG 13 HG2 ARG 13 -0.144 -1.246 1.770 93 HG3 ARG 13 HG1 ARG 13 -1.090 -1.753 3.166 94 HD2 ARG 13 HD2 ARG 13 -1.311 0.871 1.670 95 HD3 ARG 13 HD1 ARG 13 -2.512 -0.404 1.759 96 HE ARG 13 HE ARG 13 -2.034 0.346 4.380 97 HH11 ARG 13 1HH2 ARG 13 -3.079 1.831 1.434 98 HH12 ARG 13 2HH2 ARG 13 -4.068 3.017 2.220 99 HH21 ARG 13 1HH1 ARG 13 -3.327 1.899 5.418 100 HH22 ARG 13 2HH1 ARG 13 -4.207 3.055 4.476 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -5.363 2.002 -6.591 2 H2 GLY 1 HT2 GLY 1 -5.989 0.622 -7.360 3 H3 GLY 1 HT3 GLY 1 -6.564 2.167 -7.775 4 HA2 GLY 1 HA2 GLY 1 -5.145 1.847 -9.504 5 HA3 GLY 1 HA1 GLY 1 -4.050 2.585 -8.335 6 H ABA 2 H ABA 2 -2.200 1.525 -9.043 7 HA ABA 2 HA ABA 2 -2.083 -1.304 -9.423 8 HB3 ABA 2 HB1 ABA 2 -0.343 0.944 -9.794 9 HB2 ABA 2 HB2 ABA 2 -0.208 -0.667 -10.475 10 HG1 ABA 2 HG ABA 2 1.229 0.392 -8.060 11 H CYS 3 H CYS 3 -1.840 0.817 -6.730 12 HA CYS 3 HA CYS 3 -0.244 -0.746 -4.993 13 HB2 CYS 3 HB2 CYS 3 -2.401 1.293 -4.419 14 HB3 CYS 3 HB1 CYS 3 -1.332 0.606 -3.195 15 H SER 4 H SER 4 -3.718 -0.676 -5.629 16 HA SER 4 HA SER 4 -4.254 -2.678 -3.584 17 HB2 SER 4 HB2 SER 4 -6.581 -2.415 -4.224 18 HB3 SER 4 HB1 SER 4 -5.847 -0.822 -4.058 19 HG SER 4 HG SER 4 -6.133 -2.265 -6.491 20 H ASP 5 H ASP 5 -3.844 -2.507 -7.055 21 HA ASP 5 HA ASP 5 -4.976 -5.046 -7.654 22 HB2 ASP 5 HB2 ASP 5 -3.006 -3.367 -9.195 23 HB3 ASP 5 HB1 ASP 5 -3.823 -4.778 -9.838 24 HA PRO 6 HA PRO 6 -1.654 -7.733 -6.431 25 HB2 PRO 6 HB2 PRO 6 -2.087 -9.835 -8.144 26 HB3 PRO 6 HB1 PRO 6 -3.093 -9.508 -6.722 27 HG2 PRO 6 HG2 PRO 6 -3.611 -8.911 -9.579 28 HG3 PRO 6 HG1 PRO 6 -4.730 -9.443 -8.316 29 HD2 PRO 6 HD2 PRO 6 -4.553 -6.850 -9.172 30 HD3 PRO 6 HD1 PRO 6 -5.079 -7.310 -7.542 31 H ARG 7 H ARG 7 -2.066 -7.166 -9.910 32 HA ARG 7 HA ARG 7 0.431 -8.095 -10.792 33 HB2 ARG 7 HB2 ARG 7 0.023 -6.852 -12.803 34 HB3 ARG 7 HB1 ARG 7 -1.535 -7.462 -12.239 35 HG2 ARG 7 HG2 ARG 7 -1.855 -5.238 -11.058 36 HG3 ARG 7 HG1 ARG 7 -0.435 -4.662 -11.931 37 HD2 ARG 7 HD2 ARG 7 -2.410 -4.032 -13.188 38 HD3 ARG 7 HD1 ARG 7 -1.560 -5.293 -14.076 39 HE ARG 7 HE ARG 7 -3.545 -6.405 -12.342 40 HH11 ARG 7 1HH2 ARG 7 -3.037 -4.735 -15.331 41 HH12 ARG 7 2HH2 ARG 7 -4.463 -5.366 -16.084 42 HH21 ARG 7 1HH1 ARG 7 -5.417 -7.235 -13.324 43 HH22 ARG 7 2HH1 ARG 7 -5.811 -6.781 -14.949 44 H ABA 8 H ABA 8 -0.465 -5.214 -9.097 45 HA ABA 8 HA ABA 8 2.319 -4.244 -9.321 46 HB3 ABA 8 HB1 ABA 8 -0.273 -2.738 -9.356 47 HB2 ABA 8 HB2 ABA 8 1.098 -2.601 -10.449 48 HG1 ABA 8 HG ABA 8 2.196 -1.841 -7.967 49 H ARG 9 H ARG 9 1.734 -6.099 -7.508 50 HA ARG 9 HA ARG 9 0.799 -5.086 -4.998 51 HB2 ARG 9 HB2 ARG 9 0.844 -7.515 -5.759 52 HB3 ARG 9 HB1 ARG 9 2.568 -7.490 -5.387 53 HG2 ARG 9 HG2 ARG 9 2.074 -6.819 -3.074 54 HG3 ARG 9 HG1 ARG 9 0.348 -6.807 -3.438 55 HD2 ARG 9 HD2 ARG 9 0.505 -9.224 -4.045 56 HD3 ARG 9 HD1 ARG 9 2.193 -9.209 -3.542 57 HE ARG 9 HE ARG 9 -0.130 -9.195 -1.805 58 HH11 ARG 9 1HH2 ARG 9 3.234 -8.483 -2.187 59 HH12 ARG 9 2HH2 ARG 9 3.589 -8.584 -0.494 60 HH21 ARG 9 1HH1 ARG 9 0.328 -9.328 0.415 61 HH22 ARG 9 2HH1 ARG 9 1.944 -9.063 0.979 62 H TYR 10 H TYR 10 2.421 -3.151 -5.550 63 HA TYR 10 HA TYR 10 4.990 -3.693 -4.209 64 HB2 TYR 10 HB2 TYR 10 4.141 -1.518 -6.119 65 HB3 TYR 10 HB1 TYR 10 5.640 -1.442 -5.191 66 HD1 TYR 10 HD2 TYR 10 3.794 -3.292 -7.807 67 HD2 TYR 10 HD1 TYR 10 7.510 -2.889 -5.695 68 HE1 TYR 10 HE2 TYR 10 4.897 -4.761 -9.473 69 HE2 TYR 10 HE1 TYR 10 8.616 -4.359 -7.360 70 HH TYR 10 HH TYR 10 7.022 -5.325 -10.301 71 H ARG 11 H ARG 11 5.760 -2.118 -2.681 72 HA ARG 11 HA ARG 11 3.995 -1.497 -0.643 73 HB2 ARG 11 HB2 ARG 11 6.604 -0.164 -1.377 74 HB3 ARG 11 HB1 ARG 11 5.753 0.110 0.141 75 HG2 ARG 11 HG2 ARG 11 5.947 -2.218 0.752 76 HG3 ARG 11 HG1 ARG 11 6.594 -2.628 -0.836 77 HD2 ARG 11 HD2 ARG 11 8.424 -2.476 0.776 78 HD3 ARG 11 HD1 ARG 11 8.550 -1.161 -0.390 79 HE ARG 11 HE ARG 11 7.054 -0.335 1.892 80 HH11 ARG 11 1HH2 ARG 11 10.244 -1.069 0.768 81 HH12 ARG 11 2HH2 ARG 11 11.032 -0.009 1.888 82 HH21 ARG 11 1HH1 ARG 11 8.081 1.058 3.364 83 HH22 ARG 11 2HH1 ARG 11 9.807 1.196 3.357 84 H CYS 12 H CYS 12 2.726 0.211 -0.118 85 HA CYS 12 HA CYS 12 2.722 2.584 -1.855 86 HB2 CYS 12 HB2 CYS 12 0.957 0.698 -2.448 87 HB3 CYS 12 HB1 CYS 12 0.079 1.426 -1.101 88 H ARG 13 H ARG 13 1.718 1.011 1.119 89 HA ARG 13 HA ARG 13 0.778 3.465 2.324 90 HB2 ARG 13 HB2 ARG 13 0.215 0.854 2.802 91 HB3 ARG 13 HB1 ARG 13 1.417 1.148 4.059 92 HG2 ARG 13 HG2 ARG 13 -0.537 1.797 5.150 93 HG3 ARG 13 HG1 ARG 13 0.002 3.332 4.476 94 HD2 ARG 13 HD2 ARG 13 -2.377 3.026 4.004 95 HD3 ARG 13 HD1 ARG 13 -1.462 2.955 2.501 96 HE ARG 13 HE ARG 13 -2.049 0.711 2.298 97 HH11 ARG 13 1HH2 ARG 13 -2.740 1.926 5.464 98 HH12 ARG 13 2HH2 ARG 13 -3.629 0.524 5.959 99 HH21 ARG 13 1HH1 ARG 13 -3.214 -1.131 2.940 100 HH22 ARG 13 2HH1 ARG 13 -3.897 -1.207 4.529 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -4.866 2.552 -7.056 2 H2 GLY 1 HT2 GLY 1 -5.288 0.934 -7.360 3 H3 GLY 1 HT3 GLY 1 -5.857 2.170 -8.377 4 HA2 GLY 1 HA2 GLY 1 -4.156 1.537 -9.683 5 HA3 GLY 1 HA1 GLY 1 -3.247 2.591 -8.598 6 H ABA 2 H ABA 2 -1.338 1.340 -8.850 7 HA ABA 2 HA ABA 2 -1.248 -1.448 -8.392 8 HB3 ABA 2 HB1 ABA 2 0.783 0.733 -8.536 9 HB2 ABA 2 HB2 ABA 2 0.633 -0.700 -9.541 10 HG1 ABA 2 HG ABA 2 1.995 -0.461 -6.858 11 H CYS 3 H CYS 3 -2.142 0.825 -6.314 12 HA CYS 3 HA CYS 3 -0.647 0.266 -3.974 13 HB2 CYS 3 HB2 CYS 3 -3.384 1.459 -4.415 14 HB3 CYS 3 HB1 CYS 3 -2.639 1.324 -2.821 15 H SER 4 H SER 4 -3.620 -1.103 -5.309 16 HA SER 4 HA SER 4 -3.451 -3.250 -3.274 17 HB2 SER 4 HB2 SER 4 -5.895 -3.288 -3.186 18 HB3 SER 4 HB1 SER 4 -5.288 -1.690 -2.760 19 HG SER 4 HG SER 4 -5.774 -0.991 -4.831 20 H ASP 5 H ASP 5 -3.512 -2.487 -6.581 21 HA ASP 5 HA ASP 5 -4.981 -4.693 -7.563 22 HB2 ASP 5 HB2 ASP 5 -2.826 -3.052 -8.865 23 HB3 ASP 5 HB1 ASP 5 -3.840 -4.207 -9.710 24 HA PRO 6 HA PRO 6 -2.008 -7.943 -6.918 25 HB2 PRO 6 HB2 PRO 6 -2.801 -9.727 -8.843 26 HB3 PRO 6 HB1 PRO 6 -3.692 -9.455 -7.336 27 HG2 PRO 6 HG2 PRO 6 -4.235 -8.420 -10.057 28 HG3 PRO 6 HG1 PRO 6 -5.365 -8.981 -8.816 29 HD2 PRO 6 HD2 PRO 6 -4.893 -6.327 -9.322 30 HD3 PRO 6 HD1 PRO 6 -5.392 -6.940 -7.736 31 H ARG 7 H ARG 7 -2.377 -6.502 -10.086 32 HA ARG 7 HA ARG 7 -0.178 -7.747 -11.360 33 HB2 ARG 7 HB2 ARG 7 -0.303 -5.779 -12.909 34 HB3 ARG 7 HB1 ARG 7 -1.839 -6.620 -12.684 35 HG2 ARG 7 HG2 ARG 7 -2.803 -4.845 -11.671 36 HG3 ARG 7 HG1 ARG 7 -1.360 -4.469 -10.727 37 HD2 ARG 7 HD2 ARG 7 -1.596 -3.903 -13.690 38 HD3 ARG 7 HD1 ARG 7 -2.012 -2.723 -12.449 39 HE ARG 7 HE ARG 7 0.548 -3.674 -11.861 40 HH11 ARG 7 1HH2 ARG 7 -1.124 -1.955 -14.360 41 HH12 ARG 7 2HH2 ARG 7 0.262 -1.039 -14.851 42 HH21 ARG 7 1HH1 ARG 7 2.372 -2.472 -12.502 43 HH22 ARG 7 2HH1 ARG 7 2.241 -1.332 -13.800 44 H ABA 8 H ABA 8 -0.389 -5.369 -8.904 45 HA ABA 8 HA ABA 8 2.513 -4.865 -9.177 46 HB3 ABA 8 HB1 ABA 8 0.267 -2.935 -9.011 47 HB2 ABA 8 HB2 ABA 8 1.781 -2.803 -9.887 48 HG1 ABA 8 HG ABA 8 2.635 -2.739 -7.218 49 H ARG 9 H ARG 9 3.025 -6.318 -7.559 50 HA ARG 9 HA ARG 9 1.712 -6.162 -4.969 51 HB2 ARG 9 HB2 ARG 9 2.617 -8.284 -6.163 52 HB3 ARG 9 HB1 ARG 9 4.189 -7.751 -5.563 53 HG2 ARG 9 HG2 ARG 9 3.313 -7.710 -3.264 54 HG3 ARG 9 HG1 ARG 9 1.732 -8.222 -3.854 55 HD2 ARG 9 HD2 ARG 9 2.776 -10.294 -4.758 56 HD3 ARG 9 HD1 ARG 9 4.316 -9.793 -4.065 57 HE ARG 9 HE ARG 9 2.381 -9.781 -2.020 58 HH11 ARG 9 1HH2 ARG 9 4.034 -11.955 -4.146 59 HH12 ARG 9 2HH2 ARG 9 3.969 -13.294 -3.051 60 HH21 ARG 9 1HH1 ARG 9 2.294 -11.534 -0.578 61 HH22 ARG 9 2HH1 ARG 9 2.984 -13.056 -1.031 62 H TYR 10 H TYR 10 2.706 -3.750 -5.393 63 HA TYR 10 HA TYR 10 5.125 -3.610 -3.703 64 HB2 TYR 10 HB2 TYR 10 4.372 -1.844 -6.041 65 HB3 TYR 10 HB1 TYR 10 5.694 -1.507 -4.921 66 HD1 TYR 10 HD2 TYR 10 7.705 -2.886 -4.882 67 HD2 TYR 10 HD1 TYR 10 4.506 -3.713 -7.627 68 HE1 TYR 10 HE2 TYR 10 9.201 -4.381 -6.179 69 HE2 TYR 10 HE1 TYR 10 6.000 -5.205 -8.922 70 HH TYR 10 HH TYR 10 9.348 -5.820 -7.863 71 H ARG 11 H ARG 11 5.300 -1.678 -2.405 72 HA ARG 11 HA ARG 11 2.970 -1.113 -0.941 73 HB2 ARG 11 HB2 ARG 11 5.592 0.378 -1.119 74 HB3 ARG 11 HB1 ARG 11 4.331 0.742 0.058 75 HG2 ARG 11 HG2 ARG 11 4.491 -1.475 1.013 76 HG3 ARG 11 HG1 ARG 11 5.601 -1.989 -0.258 77 HD2 ARG 11 HD2 ARG 11 6.864 -1.456 1.768 78 HD3 ARG 11 HD1 ARG 11 7.236 -0.284 0.508 79 HE ARG 11 HE ARG 11 5.082 0.618 2.163 80 HH11 ARG 11 1HH2 ARG 11 8.512 0.195 1.990 81 HH12 ARG 11 2HH2 ARG 11 8.865 1.483 3.091 82 HH21 ARG 11 1HH1 ARG 11 5.538 2.308 3.609 83 HH22 ARG 11 2HH1 ARG 11 7.182 2.680 4.008 84 H CYS 12 H CYS 12 1.576 0.581 -0.917 85 HA CYS 12 HA CYS 12 0.943 1.849 -3.347 86 HB2 CYS 12 HB2 CYS 12 -0.694 1.438 -1.538 87 HB3 CYS 12 HB1 CYS 12 0.118 2.654 -0.550 88 H ARG 13 H ARG 13 2.525 3.085 -0.430 89 HA ARG 13 HA ARG 13 3.120 5.610 -1.788 90 HB2 ARG 13 HB2 ARG 13 4.205 6.077 0.535 91 HB3 ARG 13 HB1 ARG 13 2.445 6.047 0.401 92 HG2 ARG 13 HG2 ARG 13 2.404 3.719 1.181 93 HG3 ARG 13 HG1 ARG 13 4.166 3.706 1.274 94 HD2 ARG 13 HD2 ARG 13 2.346 5.551 2.840 95 HD3 ARG 13 HD1 ARG 13 3.111 4.102 3.469 96 HE ARG 13 HE ARG 13 5.232 5.177 3.322 97 HH11 ARG 13 1HH2 ARG 13 2.571 7.193 2.399 98 HH12 ARG 13 2HH2 ARG 13 3.464 8.664 2.559 99 HH21 ARG 13 1HH1 ARG 13 6.400 7.101 3.531 100 HH22 ARG 13 2HH1 ARG 13 5.628 8.615 3.197 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -4.040 3.137 -9.937 2 H2 GLY 1 HT2 GLY 1 -2.785 2.676 -8.888 3 H3 GLY 1 HT3 GLY 1 -3.982 3.760 -8.361 4 HA2 GLY 1 HA2 GLY 1 -4.961 1.985 -7.466 5 HA3 GLY 1 HA1 GLY 1 -5.464 1.649 -9.121 6 H ABA 2 H ABA 2 -2.184 1.546 -9.042 7 HA ABA 2 HA ABA 2 -2.078 -1.283 -9.390 8 HB3 ABA 2 HB1 ABA 2 -0.313 0.955 -9.758 9 HB2 ABA 2 HB2 ABA 2 -0.207 -0.654 -10.462 10 HG1 ABA 2 HG ABA 2 1.246 0.375 -8.041 11 H CYS 3 H CYS 3 -1.838 0.832 -6.703 12 HA CYS 3 HA CYS 3 -0.222 -0.681 -4.956 13 HB2 CYS 3 HB2 CYS 3 -2.429 1.317 -4.429 14 HB3 CYS 3 HB1 CYS 3 -1.374 0.651 -3.179 15 H SER 4 H SER 4 -3.702 -0.701 -5.587 16 HA SER 4 HA SER 4 -4.162 -2.737 -3.552 17 HB2 SER 4 HB2 SER 4 -6.508 -2.490 -4.131 18 HB3 SER 4 HB1 SER 4 -5.785 -0.896 -3.936 19 HG SER 4 HG SER 4 -6.469 -2.280 -6.304 20 H ASP 5 H ASP 5 -3.818 -2.523 -7.032 21 HA ASP 5 HA ASP 5 -4.981 -5.035 -7.644 22 HB2 ASP 5 HB2 ASP 5 -2.992 -3.374 -9.177 23 HB3 ASP 5 HB1 ASP 5 -3.835 -4.765 -9.832 24 HA PRO 6 HA PRO 6 -1.654 -7.745 -6.461 25 HB2 PRO 6 HB2 PRO 6 -2.090 -9.838 -8.182 26 HB3 PRO 6 HB1 PRO 6 -3.087 -9.524 -6.752 27 HG2 PRO 6 HG2 PRO 6 -3.626 -8.920 -9.597 28 HG3 PRO 6 HG1 PRO 6 -4.735 -9.451 -8.327 29 HD2 PRO 6 HD2 PRO 6 -4.566 -6.857 -9.188 30 HD3 PRO 6 HD1 PRO 6 -5.084 -7.315 -7.558 31 H ARG 7 H ARG 7 -2.077 -7.123 -9.928 32 HA ARG 7 HA ARG 7 0.412 -8.062 -10.830 33 HB2 ARG 7 HB2 ARG 7 -0.002 -6.816 -12.830 34 HB3 ARG 7 HB1 ARG 7 -1.564 -7.411 -12.260 35 HG2 ARG 7 HG2 ARG 7 -1.836 -5.181 -11.061 36 HG3 ARG 7 HG1 ARG 7 -0.432 -4.624 -11.970 37 HD2 ARG 7 HD2 ARG 7 -2.394 -3.971 -13.207 38 HD3 ARG 7 HD1 ARG 7 -1.628 -5.293 -14.083 39 HE ARG 7 HE ARG 7 -3.586 -6.295 -12.270 40 HH11 ARG 7 1HH2 ARG 7 -3.165 -4.628 -15.274 41 HH12 ARG 7 2HH2 ARG 7 -4.657 -5.187 -15.952 42 HH21 ARG 7 1HH1 ARG 7 -5.545 -7.032 -13.153 43 HH22 ARG 7 2HH1 ARG 7 -6.005 -6.548 -14.752 44 H ABA 8 H ABA 8 -0.465 -5.224 -9.092 45 HA ABA 8 HA ABA 8 2.315 -4.251 -9.310 46 HB3 ABA 8 HB1 ABA 8 -0.280 -2.737 -9.341 47 HB2 ABA 8 HB2 ABA 8 1.093 -2.602 -10.422 48 HG1 ABA 8 HG ABA 8 2.199 -1.838 -7.957 49 H ARG 9 H ARG 9 1.722 -6.137 -7.531 50 HA ARG 9 HA ARG 9 0.814 -5.168 -5.003 51 HB2 ARG 9 HB2 ARG 9 0.861 -7.581 -5.781 52 HB3 ARG 9 HB1 ARG 9 2.600 -7.544 -5.481 53 HG2 ARG 9 HG2 ARG 9 2.201 -6.929 -3.133 54 HG3 ARG 9 HG1 ARG 9 0.463 -6.914 -3.427 55 HD2 ARG 9 HD2 ARG 9 0.513 -9.297 -3.989 56 HD3 ARG 9 HD1 ARG 9 2.261 -9.329 -3.773 57 HE ARG 9 HE ARG 9 1.935 -9.313 -1.457 58 HH11 ARG 9 1HH2 ARG 9 -0.997 -8.665 -3.178 59 HH12 ARG 9 2HH2 ARG 9 -2.012 -8.818 -1.782 60 HH21 ARG 9 1HH1 ARG 9 0.612 -9.515 0.376 61 HH22 ARG 9 2HH1 ARG 9 -1.101 -9.299 0.230 62 H TYR 10 H TYR 10 2.353 -3.210 -5.456 63 HA TYR 10 HA TYR 10 4.947 -3.724 -4.135 64 HB2 TYR 10 HB2 TYR 10 4.130 -1.581 -6.098 65 HB3 TYR 10 HB1 TYR 10 5.624 -1.510 -5.160 66 HD1 TYR 10 HD1 TYR 10 7.428 -3.132 -5.532 67 HD2 TYR 10 HD2 TYR 10 3.828 -3.231 -7.865 68 HE1 TYR 10 HE1 TYR 10 8.531 -4.632 -7.170 69 HE2 TYR 10 HE2 TYR 10 4.927 -4.730 -9.505 70 HH TYR 10 HH TYR 10 6.727 -6.059 -9.856 71 H ARG 11 H ARG 11 5.688 -2.140 -2.627 72 HA ARG 11 HA ARG 11 3.884 -1.458 -0.641 73 HB2 ARG 11 HB2 ARG 11 6.542 -0.221 -1.358 74 HB3 ARG 11 HB1 ARG 11 5.652 0.194 0.105 75 HG2 ARG 11 HG2 ARG 11 5.620 -2.263 0.683 76 HG3 ARG 11 HG1 ARG 11 6.705 -2.530 -0.678 77 HD2 ARG 11 HD2 ARG 11 7.277 -0.652 1.628 78 HD3 ARG 11 HD1 ARG 11 7.910 -2.290 1.502 79 HE ARG 11 HE ARG 11 8.749 0.024 -0.065 80 HH11 ARG 11 1HH2 ARG 11 8.739 -3.408 0.382 81 HH12 ARG 11 2HH2 ARG 11 10.156 -3.674 -0.575 82 HH21 ARG 11 1HH1 ARG 11 10.609 -0.319 -1.322 83 HH22 ARG 11 2HH1 ARG 11 11.214 -1.927 -1.541 84 H CYS 12 H CYS 12 2.725 0.313 -0.115 85 HA CYS 12 HA CYS 12 2.707 2.596 -1.963 86 HB2 CYS 12 HB2 CYS 12 0.885 0.756 -2.422 87 HB3 CYS 12 HB1 CYS 12 0.083 1.507 -1.041 88 H ARG 13 H ARG 13 1.797 1.219 1.137 89 HA ARG 13 HA ARG 13 1.471 3.950 2.217 90 HB2 ARG 13 HB2 ARG 13 -0.550 2.713 2.562 91 HB3 ARG 13 HB1 ARG 13 0.339 1.292 3.114 92 HG2 ARG 13 HG2 ARG 13 0.905 3.746 4.656 93 HG3 ARG 13 HG1 ARG 13 -0.755 3.177 4.780 94 HD2 ARG 13 HD2 ARG 13 -0.056 1.016 5.544 95 HD3 ARG 13 HD1 ARG 13 1.628 1.351 5.159 96 HE ARG 13 HE ARG 13 0.702 3.277 7.012 97 HH11 ARG 13 1HH2 ARG 13 1.450 -0.090 6.729 98 HH12 ARG 13 2HH2 ARG 13 1.900 -0.270 8.393 99 HH21 ARG 13 1HH1 ARG 13 1.289 3.047 9.194 100 HH22 ARG 13 2HH1 ARG 13 1.808 1.505 9.788 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -5.869 2.094 -7.175 2 H2 GLY 1 HT2 GLY 1 -5.881 0.943 -8.425 3 H3 GLY 1 HT3 GLY 1 -6.208 2.576 -8.766 4 HA2 GLY 1 HA2 GLY 1 -4.067 2.698 -9.346 5 HA3 GLY 1 HA1 GLY 1 -3.791 2.753 -7.604 6 H ABA 2 H ABA 2 -1.772 1.751 -9.027 7 HA ABA 2 HA ABA 2 -1.933 -1.059 -9.505 8 HB3 ABA 2 HB1 ABA 2 -0.082 0.975 -10.042 9 HB2 ABA 2 HB2 ABA 2 0.079 -0.718 -10.469 10 HG1 ABA 2 HG ABA 2 1.452 0.695 -8.212 11 H CYS 3 H CYS 3 -0.875 0.901 -6.749 12 HA CYS 3 HA CYS 3 0.189 -1.053 -5.100 13 HB2 CYS 3 HB2 CYS 3 0.212 0.635 -3.623 14 HB3 CYS 3 HB1 CYS 3 -0.674 1.601 -4.800 15 H SER 4 H SER 4 -3.225 -0.176 -5.528 16 HA SER 4 HA SER 4 -4.251 -2.047 -3.665 17 HB2 SER 4 HB2 SER 4 -5.539 -0.737 -6.068 18 HB3 SER 4 HB1 SER 4 -6.410 -1.687 -4.868 19 HG SER 4 HG SER 4 -5.061 0.775 -4.580 20 H ASP 5 H ASP 5 -3.618 -2.211 -7.143 21 HA ASP 5 HA ASP 5 -4.799 -4.760 -7.531 22 HB2 ASP 5 HB2 ASP 5 -2.751 -3.230 -9.128 23 HB3 ASP 5 HB1 ASP 5 -3.453 -4.752 -9.660 24 HA PRO 6 HA PRO 6 -1.680 -7.441 -5.867 25 HB2 PRO 6 HB2 PRO 6 -2.072 -9.657 -7.440 26 HB3 PRO 6 HB1 PRO 6 -3.138 -9.200 -6.099 27 HG2 PRO 6 HG2 PRO 6 -3.499 -8.820 -9.016 28 HG3 PRO 6 HG1 PRO 6 -4.695 -9.207 -7.771 29 HD2 PRO 6 HD2 PRO 6 -4.397 -6.704 -8.827 30 HD3 PRO 6 HD1 PRO 6 -4.997 -7.004 -7.184 31 H ARG 7 H ARG 7 -1.772 -6.788 -9.296 32 HA ARG 7 HA ARG 7 0.761 -7.980 -9.918 33 HB2 ARG 7 HB2 ARG 7 0.481 -7.049 -12.089 34 HB3 ARG 7 HB1 ARG 7 -1.135 -7.510 -11.551 35 HG2 ARG 7 HG2 ARG 7 -1.382 -5.116 -10.694 36 HG3 ARG 7 HG1 ARG 7 0.080 -4.743 -11.605 37 HD2 ARG 7 HD2 ARG 7 -1.805 -4.228 -13.020 38 HD3 ARG 7 HD1 ARG 7 -1.042 -5.685 -13.651 39 HE ARG 7 HE ARG 7 -3.145 -6.299 -11.798 40 HH11 ARG 7 1HH2 ARG 7 -2.413 -5.326 -15.038 41 HH12 ARG 7 2HH2 ARG 7 -3.858 -6.000 -15.714 42 HH21 ARG 7 1HH1 ARG 7 -5.043 -7.184 -12.678 43 HH22 ARG 7 2HH1 ARG 7 -5.347 -7.052 -14.378 44 H ABA 8 H ABA 8 -0.204 -5.064 -8.421 45 HA ABA 8 HA ABA 8 2.566 -4.059 -8.596 46 HB3 ABA 8 HB1 ABA 8 0.029 -2.566 -9.157 47 HB2 ABA 8 HB2 ABA 8 1.482 -2.652 -10.139 48 HG1 ABA 8 HG ABA 8 2.472 -1.480 -7.813 49 H ARG 9 H ARG 9 1.176 -5.565 -6.538 50 HA ARG 9 HA ARG 9 0.320 -3.912 -4.413 51 HB2 ARG 9 HB2 ARG 9 0.429 -5.849 -3.065 52 HB3 ARG 9 HB1 ARG 9 0.035 -6.440 -4.676 53 HG2 ARG 9 HG2 ARG 9 2.553 -6.749 -5.020 54 HG3 ARG 9 HG1 ARG 9 2.712 -6.509 -3.279 55 HD2 ARG 9 HD2 ARG 9 2.552 -8.872 -3.629 56 HD3 ARG 9 HD1 ARG 9 1.002 -8.348 -2.973 57 HE ARG 9 HE ARG 9 0.995 -8.330 -5.837 58 HH11 ARG 9 1HH2 ARG 9 0.795 -10.333 -3.022 59 HH12 ARG 9 2HH2 ARG 9 -0.136 -11.569 -3.799 60 HH21 ARG 9 1HH1 ARG 9 -0.226 -9.948 -6.863 61 HH22 ARG 9 2HH1 ARG 9 -0.714 -11.351 -5.973 62 H TYR 10 H TYR 10 3.277 -4.004 -5.852 63 HA TYR 10 HA TYR 10 5.079 -4.046 -3.674 64 HB2 TYR 10 HB2 TYR 10 5.354 -2.604 -6.323 65 HB3 TYR 10 HB1 TYR 10 6.669 -3.008 -5.217 66 HD1 TYR 10 HD2 TYR 10 6.823 -5.551 -4.520 67 HD2 TYR 10 HD1 TYR 10 4.820 -4.102 -8.031 68 HE1 TYR 10 HE2 TYR 10 7.000 -7.800 -5.548 69 HE2 TYR 10 HE1 TYR 10 4.995 -6.350 -9.060 70 HH TYR 10 HH TYR 10 6.651 -9.020 -7.371 71 H ARG 11 H ARG 11 3.333 -1.393 -5.269 72 HA ARG 11 HA ARG 11 4.577 0.724 -3.849 73 HB2 ARG 11 HB2 ARG 11 1.902 0.525 -5.231 74 HB3 ARG 11 HB1 ARG 11 2.511 2.024 -4.531 75 HG2 ARG 11 HG2 ARG 11 4.644 1.552 -5.954 76 HG3 ARG 11 HG1 ARG 11 3.604 0.451 -6.857 77 HD2 ARG 11 HD2 ARG 11 1.971 2.390 -7.099 78 HD3 ARG 11 HD1 ARG 11 3.238 3.428 -6.460 79 HE ARG 11 HE ARG 11 4.284 1.917 -8.609 80 HH11 ARG 11 1HH2 ARG 11 2.042 4.455 -7.898 81 HH12 ARG 11 2HH2 ARG 11 2.226 5.235 -9.434 82 HH21 ARG 11 1HH1 ARG 11 4.529 2.934 -10.626 83 HH22 ARG 11 2HH1 ARG 11 3.634 4.373 -10.978 84 H CYS 12 H CYS 12 1.690 -1.203 -3.202 85 HA CYS 12 HA CYS 12 1.168 0.276 -0.736 86 HB2 CYS 12 HB2 CYS 12 -0.359 -1.453 -2.517 87 HB3 CYS 12 HB1 CYS 12 -0.582 -1.875 -0.819 88 H ARG 13 H ARG 13 1.521 -3.162 -1.598 89 HA ARG 13 HA ARG 13 2.534 -3.667 1.126 90 HB2 ARG 13 HB2 ARG 13 0.987 -5.253 -0.843 91 HB3 ARG 13 HB1 ARG 13 2.190 -6.142 0.089 92 HG2 ARG 13 HG2 ARG 13 0.045 -6.170 1.269 93 HG3 ARG 13 HG1 ARG 13 1.213 -5.216 2.178 94 HD2 ARG 13 HD2 ARG 13 0.262 -3.156 1.411 95 HD3 ARG 13 HD1 ARG 13 -0.720 -3.983 0.207 96 HE ARG 13 HE ARG 13 -1.489 -5.030 2.655 97 HH11 ARG 13 1HH2 ARG 13 -1.330 -1.934 1.118 98 HH12 ARG 13 2HH2 ARG 13 -2.687 -1.284 1.977 99 HH21 ARG 13 1HH1 ARG 13 -3.270 -4.185 3.785 100 HH22 ARG 13 2HH1 ARG 13 -3.785 -2.559 3.487 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -5.536 0.962 -7.652 2 H2 GLY 1 HT2 GLY 1 -6.342 2.029 -8.701 3 H3 GLY 1 HT3 GLY 1 -5.387 2.638 -7.435 4 HA2 GLY 1 HA2 GLY 1 -4.619 2.014 -10.065 5 HA3 GLY 1 HA1 GLY 1 -3.641 2.708 -8.769 6 H ABA 2 H ABA 2 -1.805 1.478 -9.358 7 HA ABA 2 HA ABA 2 -1.876 -1.369 -9.565 8 HB3 ABA 2 HB1 ABA 2 0.070 0.735 -9.849 9 HB2 ABA 2 HB2 ABA 2 0.095 -0.889 -10.517 10 HG1 ABA 2 HG ABA 2 1.451 0.076 -8.021 11 H CYS 3 H CYS 3 -1.720 0.861 -6.952 12 HA CYS 3 HA CYS 3 -0.454 -0.730 -4.993 13 HB2 CYS 3 HB2 CYS 3 -2.439 1.542 -4.821 14 HB3 CYS 3 HB1 CYS 3 -1.714 0.796 -3.402 15 H SER 4 H SER 4 -3.828 -0.405 -5.988 16 HA SER 4 HA SER 4 -4.738 -2.272 -3.953 17 HB2 SER 4 HB2 SER 4 -6.949 -1.860 -4.855 18 HB3 SER 4 HB1 SER 4 -6.107 -0.321 -4.691 19 HG SER 4 HG SER 4 -7.240 -1.128 -6.814 20 H ASP 5 H ASP 5 -3.857 -2.335 -7.336 21 HA ASP 5 HA ASP 5 -5.144 -4.830 -7.881 22 HB2 ASP 5 HB2 ASP 5 -3.005 -3.402 -9.426 23 HB3 ASP 5 HB1 ASP 5 -3.969 -4.759 -10.000 24 HA PRO 6 HA PRO 6 -1.939 -7.370 -5.869 25 HB2 PRO 6 HB2 PRO 6 -2.949 -9.448 -7.758 26 HB3 PRO 6 HB1 PRO 6 -2.760 -9.520 -5.995 27 HG2 PRO 6 HG2 PRO 6 -5.150 -9.276 -7.147 28 HG3 PRO 6 HG1 PRO 6 -4.767 -8.498 -5.601 29 HD2 PRO 6 HD2 PRO 6 -5.055 -7.273 -8.305 30 HD3 PRO 6 HD1 PRO 6 -5.380 -6.595 -6.705 31 H ARG 7 H ARG 7 -2.426 -7.172 -9.352 32 HA ARG 7 HA ARG 7 -0.092 -8.462 -10.219 33 HB2 ARG 7 HB2 ARG 7 -0.470 -7.422 -12.311 34 HB3 ARG 7 HB1 ARG 7 -2.073 -7.652 -11.605 35 HG2 ARG 7 HG2 ARG 7 -1.773 -5.277 -10.631 36 HG3 ARG 7 HG1 ARG 7 -0.460 -5.111 -11.796 37 HD2 ARG 7 HD2 ARG 7 -3.400 -5.427 -12.282 38 HD3 ARG 7 HD1 ARG 7 -2.255 -4.331 -13.052 39 HE ARG 7 HE ARG 7 -2.752 -7.115 -13.767 40 HH11 ARG 7 1HH2 ARG 7 -0.756 -4.298 -14.031 41 HH12 ARG 7 2HH2 ARG 7 -0.014 -4.796 -15.513 42 HH21 ARG 7 1HH1 ARG 7 -1.787 -7.768 -15.717 43 HH22 ARG 7 2HH1 ARG 7 -0.597 -6.759 -16.467 44 H ABA 8 H ABA 8 -0.595 -5.312 -8.838 45 HA ABA 8 HA ABA 8 2.255 -4.670 -9.311 46 HB3 ABA 8 HB1 ABA 8 -0.212 -2.988 -9.300 47 HB2 ABA 8 HB2 ABA 8 1.195 -2.921 -10.356 48 HG1 ABA 8 HG ABA 8 2.239 -2.186 -7.833 49 H ARG 9 H ARG 9 3.001 -5.755 -7.483 50 HA ARG 9 HA ARG 9 1.919 -5.102 -4.862 51 HB2 ARG 9 HB2 ARG 9 4.240 -6.834 -5.736 52 HB3 ARG 9 HB1 ARG 9 3.732 -6.618 -4.058 53 HG2 ARG 9 HG2 ARG 9 1.543 -7.541 -4.541 54 HG3 ARG 9 HG1 ARG 9 1.910 -7.601 -6.266 55 HD2 ARG 9 HD2 ARG 9 2.198 -9.828 -5.304 56 HD3 ARG 9 HD1 ARG 9 3.769 -9.188 -5.780 57 HE ARG 9 HE ARG 9 3.186 -8.570 -3.051 58 HH11 ARG 9 1HH2 ARG 9 4.169 -11.085 -5.216 59 HH12 ARG 9 2HH2 ARG 9 5.047 -11.967 -4.011 60 HH21 ARG 9 1HH1 ARG 9 4.335 -9.722 -1.466 61 HH22 ARG 9 2HH1 ARG 9 5.142 -11.196 -1.890 62 H TYR 10 H TYR 10 2.496 -2.766 -5.485 63 HA TYR 10 HA TYR 10 5.256 -1.991 -5.289 64 HB2 TYR 10 HB2 TYR 10 2.696 -0.696 -5.809 65 HB3 TYR 10 HB1 TYR 10 3.721 0.269 -4.749 66 HD1 TYR 10 HD1 TYR 10 4.386 -2.027 -7.647 67 HD2 TYR 10 HD2 TYR 10 4.902 1.883 -5.943 68 HE1 TYR 10 HE1 TYR 10 5.763 -1.359 -9.595 69 HE2 TYR 10 HE2 TYR 10 6.280 2.548 -7.891 70 HH TYR 10 HH TYR 10 7.747 1.265 -9.630 71 H ARG 11 H ARG 11 5.331 0.109 -3.602 72 HA ARG 11 HA ARG 11 5.797 -1.069 -1.093 73 HB2 ARG 11 HB2 ARG 11 5.460 1.824 -1.904 74 HB3 ARG 11 HB1 ARG 11 5.950 1.315 -0.288 75 HG2 ARG 11 HG2 ARG 11 7.920 0.203 -1.175 76 HG3 ARG 11 HG1 ARG 11 7.404 0.531 -2.830 77 HD2 ARG 11 HD2 ARG 11 9.094 2.163 -2.165 78 HD3 ARG 11 HD1 ARG 11 7.539 2.967 -2.366 79 HE ARG 11 HE ARG 11 7.895 2.150 0.340 80 HH11 ARG 11 1HH2 ARG 11 8.929 4.448 -2.031 81 HH12 ARG 11 2HH2 ARG 11 9.301 5.683 -0.874 82 HH21 ARG 11 1HH1 ARG 11 8.379 3.764 1.864 83 HH22 ARG 11 2HH1 ARG 11 8.990 5.295 1.331 84 H CYS 12 H CYS 12 3.048 0.685 -2.397 85 HA CYS 12 HA CYS 12 1.511 1.340 -0.281 86 HB2 CYS 12 HB2 CYS 12 -0.051 -0.260 -2.177 87 HB3 CYS 12 HB1 CYS 12 -0.181 1.453 -1.765 88 H ARG 13 H ARG 13 2.248 -1.916 -1.346 89 HA ARG 13 HA ARG 13 0.836 -2.964 1.035 90 HB2 ARG 13 HB2 ARG 13 -0.353 -3.773 -0.879 91 HB3 ARG 13 HB1 ARG 13 1.145 -4.170 -1.722 92 HG2 ARG 13 HG2 ARG 13 0.861 -5.473 0.913 93 HG3 ARG 13 HG1 ARG 13 -0.343 -5.962 -0.276 94 HD2 ARG 13 HD2 ARG 13 1.327 -6.649 -1.835 95 HD3 ARG 13 HD1 ARG 13 2.613 -5.884 -0.909 96 HE ARG 13 HE ARG 13 1.326 -8.440 -0.326 97 HH11 ARG 13 1HH2 ARG 13 3.352 -5.834 0.716 98 HH12 ARG 13 2HH2 ARG 13 4.128 -6.753 1.960 99 HH21 ARG 13 1HH1 ARG 13 2.341 -9.650 1.307 100 HH22 ARG 13 2HH1 ARG 13 3.556 -8.913 2.296 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -4.039 3.519 -6.580 2 H2 GLY 1 HT2 GLY 1 -3.067 4.652 -7.392 3 H3 GLY 1 HT3 GLY 1 -2.355 3.315 -6.622 4 HA2 GLY 1 HA2 GLY 1 -4.299 2.422 -8.470 5 HA3 GLY 1 HA1 GLY 1 -3.151 3.501 -9.263 6 H ABA 2 H ABA 2 -3.541 0.496 -9.330 7 HA ABA 2 HA ABA 2 -2.193 -1.339 -9.610 8 HB3 ABA 2 HB1 ABA 2 -0.452 0.894 -10.018 9 HB2 ABA 2 HB2 ABA 2 -0.304 -0.735 -10.658 10 HG1 ABA 2 HG ABA 2 1.120 0.432 -8.285 11 H CYS 3 H CYS 3 -1.489 0.747 -6.836 12 HA CYS 3 HA CYS 3 -0.031 -1.062 -5.286 13 HB2 CYS 3 HB2 CYS 3 -1.935 1.160 -4.520 14 HB3 CYS 3 HB1 CYS 3 -0.906 0.303 -3.374 15 H SER 4 H SER 4 -3.519 -0.520 -5.570 16 HA SER 4 HA SER 4 -4.243 -2.476 -3.620 17 HB2 SER 4 HB2 SER 4 -5.832 -1.171 -5.835 18 HB3 SER 4 HB1 SER 4 -6.525 -2.234 -4.614 19 HG SER 4 HG SER 4 -5.843 -0.778 -3.034 20 H ASP 5 H ASP 5 -3.941 -2.512 -7.154 21 HA ASP 5 HA ASP 5 -5.003 -5.111 -7.496 22 HB2 ASP 5 HB2 ASP 5 -3.230 -3.442 -9.261 23 HB3 ASP 5 HB1 ASP 5 -3.942 -4.970 -9.761 24 HA PRO 6 HA PRO 6 -1.514 -7.583 -6.294 25 HB2 PRO 6 HB2 PRO 6 -1.944 -9.810 -7.852 26 HB3 PRO 6 HB1 PRO 6 -2.864 -9.439 -6.385 27 HG2 PRO 6 HG2 PRO 6 -3.606 -9.054 -9.221 28 HG3 PRO 6 HG1 PRO 6 -4.606 -9.549 -7.849 29 HD2 PRO 6 HD2 PRO 6 -4.632 -7.015 -8.876 30 HD3 PRO 6 HD1 PRO 6 -4.997 -7.380 -7.182 31 H ARG 7 H ARG 7 -2.131 -7.114 -9.736 32 HA ARG 7 HA ARG 7 0.314 -8.053 -10.748 33 HB2 ARG 7 HB2 ARG 7 -0.226 -6.878 -12.755 34 HB3 ARG 7 HB1 ARG 7 -1.756 -7.442 -12.075 35 HG2 ARG 7 HG2 ARG 7 -1.924 -5.166 -10.925 36 HG3 ARG 7 HG1 ARG 7 -0.591 -4.657 -11.960 37 HD2 ARG 7 HD2 ARG 7 -2.656 -4.037 -13.055 38 HD3 ARG 7 HD1 ARG 7 -1.945 -5.377 -13.950 39 HE ARG 7 HE ARG 7 -3.759 -6.335 -11.967 40 HH11 ARG 7 1HH2 ARG 7 -3.560 -4.777 -15.050 41 HH12 ARG 7 2HH2 ARG 7 -5.089 -5.372 -15.605 42 HH21 ARG 7 1HH1 ARG 7 -5.765 -7.120 -12.687 43 HH22 ARG 7 2HH1 ARG 7 -6.337 -6.699 -14.267 44 H ABA 8 H ABA 8 -0.494 -5.226 -8.969 45 HA ABA 8 HA ABA 8 2.274 -4.256 -9.299 46 HB3 ABA 8 HB1 ABA 8 -0.307 -2.741 -9.513 47 HB2 ABA 8 HB2 ABA 8 1.114 -2.661 -10.536 48 HG1 ABA 8 HG ABA 8 2.137 -1.738 -8.108 49 H ARG 9 H ARG 9 1.664 -6.002 -7.406 50 HA ARG 9 HA ARG 9 0.732 -4.842 -4.960 51 HB2 ARG 9 HB2 ARG 9 0.720 -7.309 -5.618 52 HB3 ARG 9 HB1 ARG 9 2.438 -7.306 -5.218 53 HG2 ARG 9 HG2 ARG 9 1.953 -6.581 -2.939 54 HG3 ARG 9 HG1 ARG 9 0.238 -6.438 -3.322 55 HD2 ARG 9 HD2 ARG 9 0.547 -8.542 -2.194 56 HD3 ARG 9 HD1 ARG 9 0.242 -8.892 -3.894 57 HE ARG 9 HE ARG 9 3.030 -8.680 -3.487 58 HH11 ARG 9 1HH2 ARG 9 0.315 -10.676 -2.704 59 HH12 ARG 9 2HH2 ARG 9 1.242 -12.135 -2.596 60 HH21 ARG 9 1HH1 ARG 9 4.253 -10.589 -3.348 61 HH22 ARG 9 2HH1 ARG 9 3.472 -12.085 -2.960 62 H TYR 10 H TYR 10 2.443 -3.024 -5.653 63 HA TYR 10 HA TYR 10 5.022 -3.557 -4.367 64 HB2 TYR 10 HB2 TYR 10 4.041 -1.356 -6.179 65 HB3 TYR 10 HB1 TYR 10 5.552 -1.219 -5.274 66 HD1 TYR 10 HD1 TYR 10 3.748 -3.165 -7.865 67 HD2 TYR 10 HD2 TYR 10 7.495 -2.497 -5.877 68 HE1 TYR 10 HE1 TYR 10 4.901 -4.532 -9.582 69 HE2 TYR 10 HE2 TYR 10 8.649 -3.865 -7.593 70 HH TYR 10 HH TYR 10 8.437 -4.905 -9.560 71 H ARG 11 H ARG 11 5.878 -1.910 -2.903 72 HA ARG 11 HA ARG 11 4.322 -1.484 -0.677 73 HB2 ARG 11 HB2 ARG 11 6.636 0.159 -1.706 74 HB3 ARG 11 HB1 ARG 11 5.969 0.299 -0.082 75 HG2 ARG 11 HG2 ARG 11 6.505 -2.010 0.407 76 HG3 ARG 11 HG1 ARG 11 7.011 -2.283 -1.260 77 HD2 ARG 11 HD2 ARG 11 8.968 -1.932 0.182 78 HD3 ARG 11 HD1 ARG 11 8.816 -0.630 -0.985 79 HE ARG 11 HE ARG 11 8.190 -0.448 1.894 80 HH11 ARG 11 1HH2 ARG 11 8.623 1.032 -1.206 81 HH12 ARG 11 2HH2 ARG 11 8.675 2.638 -0.576 82 HH21 ARG 11 1HH1 ARG 11 8.259 1.661 2.720 83 HH22 ARG 11 2HH1 ARG 11 8.467 2.999 1.641 84 H CYS 12 H CYS 12 2.955 0.037 0.022 85 HA CYS 12 HA CYS 12 2.604 2.567 -1.293 86 HB2 CYS 12 HB2 CYS 12 1.218 0.425 -2.419 87 HB3 CYS 12 HB1 CYS 12 0.028 1.239 -1.400 88 H ARG 13 H ARG 13 1.127 0.146 0.817 89 HA ARG 13 HA ARG 13 0.102 2.306 2.539 90 HB2 ARG 13 HB2 ARG 13 -0.746 -0.469 1.953 91 HB3 ARG 13 HB1 ARG 13 -0.921 0.043 3.630 92 HG2 ARG 13 HG2 ARG 13 -2.967 0.545 2.386 93 HG3 ARG 13 HG1 ARG 13 -2.171 2.042 2.855 94 HD2 ARG 13 HD2 ARG 13 -1.281 2.369 0.655 95 HD3 ARG 13 HD1 ARG 13 -1.732 0.739 0.165 96 HE ARG 13 HE ARG 13 -4.096 1.996 0.895 97 HH11 ARG 13 1HH2 ARG 13 -1.518 2.459 -1.366 98 HH12 ARG 13 2HH2 ARG 13 -2.514 3.229 -2.555 99 HH21 ARG 13 1HH1 ARG 13 -5.409 3.004 -0.659 100 HH22 ARG 13 2HH1 ARG 13 -4.717 3.538 -2.155 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -2.143 5.350 -7.635 2 H2 GLY 1 HT2 GLY 1 -1.345 4.337 -6.530 3 H3 GLY 1 HT3 GLY 1 -2.896 4.932 -6.174 4 HA2 GLY 1 HA2 GLY 1 -3.799 3.148 -7.085 5 HA3 GLY 1 HA1 GLY 1 -3.077 3.621 -8.624 6 H ABA 2 H ABA 2 -3.125 1.098 -8.619 7 HA ABA 2 HA ABA 2 -1.909 -0.840 -8.721 8 HB3 ABA 2 HB1 ABA 2 -0.006 1.289 -8.961 9 HB2 ABA 2 HB2 ABA 2 0.065 -0.323 -9.642 10 HG1 ABA 2 HG ABA 2 1.402 0.662 -7.130 11 H CYS 3 H CYS 3 -2.352 0.922 -5.989 12 HA CYS 3 HA CYS 3 -0.754 -0.430 -4.076 13 HB2 CYS 3 HB2 CYS 3 -3.354 1.091 -3.841 14 HB3 CYS 3 HB1 CYS 3 -2.479 0.444 -2.453 15 H SER 4 H SER 4 -4.008 -1.003 -5.340 16 HA SER 4 HA SER 4 -4.258 -3.396 -3.652 17 HB2 SER 4 HB2 SER 4 -6.614 -3.352 -4.260 18 HB3 SER 4 HB1 SER 4 -6.116 -1.761 -3.688 19 HG SER 4 HG SER 4 -5.884 -2.336 -6.415 20 H ASP 5 H ASP 5 -3.570 -2.537 -6.932 21 HA ASP 5 HA ASP 5 -4.644 -4.829 -8.196 22 HB2 ASP 5 HB2 ASP 5 -2.308 -3.101 -9.016 23 HB3 ASP 5 HB1 ASP 5 -3.116 -4.265 -10.055 24 HA PRO 6 HA PRO 6 -1.713 -7.885 -6.857 25 HB2 PRO 6 HB2 PRO 6 -1.834 -9.666 -8.933 26 HB3 PRO 6 HB1 PRO 6 -3.106 -9.502 -7.710 27 HG2 PRO 6 HG2 PRO 6 -2.995 -8.424 -10.467 28 HG3 PRO 6 HG1 PRO 6 -4.363 -9.110 -9.580 29 HD2 PRO 6 HD2 PRO 6 -4.002 -6.418 -9.908 30 HD3 PRO 6 HD1 PRO 6 -4.832 -7.116 -8.506 31 H ARG 7 H ARG 7 -1.392 -6.555 -10.092 32 HA ARG 7 HA ARG 7 1.278 -7.488 -10.529 33 HB2 ARG 7 HB2 ARG 7 1.254 -6.122 -12.498 34 HB3 ARG 7 HB1 ARG 7 -0.339 -6.864 -12.346 35 HG2 ARG 7 HG2 ARG 7 -1.107 -4.757 -11.178 36 HG3 ARG 7 HG1 ARG 7 0.440 -4.034 -11.616 37 HD2 ARG 7 HD2 ARG 7 -1.200 -3.429 -13.303 38 HD3 ARG 7 HD1 ARG 7 -0.043 -4.553 -14.010 39 HE ARG 7 HE ARG 7 -2.346 -5.889 -12.919 40 HH11 ARG 7 1HH2 ARG 7 -1.077 -4.123 -15.610 41 HH12 ARG 7 2HH2 ARG 7 -2.165 -4.824 -16.761 42 HH21 ARG 7 1HH1 ARG 7 -3.777 -6.812 -14.421 43 HH22 ARG 7 2HH1 ARG 7 -3.694 -6.346 -16.087 44 H ABA 8 H ABA 8 -0.043 -5.046 -8.601 45 HA ABA 8 HA ABA 8 2.620 -3.801 -8.323 46 HB3 ABA 8 HB1 ABA 8 -0.051 -2.427 -8.564 47 HB2 ABA 8 HB2 ABA 8 1.366 -2.242 -9.592 48 HG1 ABA 8 HG ABA 8 2.468 -1.501 -7.206 49 H ARG 9 H ARG 9 0.656 -5.741 -6.779 50 HA ARG 9 HA ARG 9 0.142 -4.410 -4.301 51 HB2 ARG 9 HB2 ARG 9 -0.977 -6.523 -5.197 52 HB3 ARG 9 HB1 ARG 9 0.441 -7.385 -4.607 53 HG2 ARG 9 HG2 ARG 9 0.037 -6.488 -2.344 54 HG3 ARG 9 HG1 ARG 9 -1.364 -5.603 -2.943 55 HD2 ARG 9 HD2 ARG 9 -2.396 -7.757 -3.630 56 HD3 ARG 9 HD1 ARG 9 -1.017 -8.615 -2.949 57 HE ARG 9 HE ARG 9 -2.096 -6.941 -0.955 58 HH11 ARG 9 1HH2 ARG 9 -2.880 -9.729 -2.851 59 HH12 ARG 9 2HH2 ARG 9 -3.909 -10.429 -1.647 60 HH21 ARG 9 1HH1 ARG 9 -3.444 -7.856 0.629 61 HH22 ARG 9 2HH1 ARG 9 -4.228 -9.369 0.323 62 H TYR 10 H TYR 10 2.731 -3.845 -4.980 63 HA TYR 10 HA TYR 10 4.283 -5.314 -2.932 64 HB2 TYR 10 HB2 TYR 10 5.436 -4.058 -5.426 65 HB3 TYR 10 HB1 TYR 10 6.237 -5.141 -4.289 66 HD1 TYR 10 HD1 TYR 10 5.177 -7.513 -3.982 67 HD2 TYR 10 HD2 TYR 10 4.363 -4.925 -7.309 68 HE1 TYR 10 HE1 TYR 10 4.349 -9.451 -5.289 69 HE2 TYR 10 HE2 TYR 10 3.531 -6.856 -8.614 70 HH TYR 10 HH TYR 10 3.110 -9.034 -8.609 71 H ARG 11 H ARG 11 3.653 -2.296 -4.616 72 HA ARG 11 HA ARG 11 4.788 -0.832 -2.321 73 HB2 ARG 11 HB2 ARG 11 5.176 -0.257 -5.260 74 HB3 ARG 11 HB1 ARG 11 5.593 0.869 -3.970 75 HG2 ARG 11 HG2 ARG 11 7.156 -0.723 -3.010 76 HG3 ARG 11 HG1 ARG 11 6.663 -1.955 -4.171 77 HD2 ARG 11 HD2 ARG 11 8.760 -0.917 -4.897 78 HD3 ARG 11 HD1 ARG 11 7.465 -0.511 -6.021 79 HE ARG 11 HE ARG 11 7.641 1.481 -4.017 80 HH11 ARG 11 1HH2 ARG 11 9.318 0.204 -6.760 81 HH12 ARG 11 2HH2 ARG 11 10.050 1.715 -7.190 82 HH21 ARG 11 1HH1 ARG 11 8.593 3.467 -4.578 83 HH22 ARG 11 2HH1 ARG 11 9.640 3.562 -5.955 84 H CYS 12 H CYS 12 3.847 1.155 -1.849 85 HA CYS 12 HA CYS 12 1.583 2.112 -3.386 86 HB2 CYS 12 HB2 CYS 12 0.578 0.337 -1.972 87 HB3 CYS 12 HB1 CYS 12 1.177 1.174 -0.537 88 H ARG 13 H ARG 13 2.316 2.453 0.053 89 HA ARG 13 HA ARG 13 2.478 5.336 -0.263 90 HB2 ARG 13 HB2 ARG 13 1.905 5.439 1.919 91 HB3 ARG 13 HB1 ARG 13 1.502 3.737 1.729 92 HG2 ARG 13 HG2 ARG 13 4.154 4.839 2.751 93 HG3 ARG 13 HG1 ARG 13 2.900 4.072 3.711 94 HD2 ARG 13 HD2 ARG 13 3.554 2.341 1.508 95 HD3 ARG 13 HD1 ARG 13 5.032 2.795 2.348 96 HE ARG 13 HE ARG 13 4.260 1.652 4.243 97 HH11 ARG 13 1HH2 ARG 13 1.836 1.917 1.787 98 HH12 ARG 13 2HH2 ARG 13 0.751 0.799 2.544 99 HH21 ARG 13 1HH1 ARG 13 2.837 0.193 5.247 100 HH22 ARG 13 2HH1 ARG 13 1.317 -0.176 4.503 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -3.700 3.788 -8.758 2 H2 GLY 1 HT2 GLY 1 -3.251 2.814 -10.076 3 H3 GLY 1 HT3 GLY 1 -2.366 2.750 -8.627 4 HA2 GLY 1 HA2 GLY 1 -4.578 2.044 -7.563 5 HA3 GLY 1 HA1 GLY 1 -5.036 1.661 -9.220 6 H ABA 2 H ABA 2 -1.772 1.408 -9.032 7 HA ABA 2 HA ABA 2 -1.648 -1.339 -9.468 8 HB3 ABA 2 HB1 ABA 2 0.226 0.819 -9.056 9 HB2 ABA 2 HB2 ABA 2 0.433 -0.661 -9.984 10 HG1 ABA 2 HG ABA 2 1.306 -0.133 -7.159 11 H CYS 3 H CYS 3 -1.460 0.514 -6.487 12 HA CYS 3 HA CYS 3 -0.726 -1.558 -4.722 13 HB2 CYS 3 HB2 CYS 3 -0.562 0.607 -3.854 14 HB3 CYS 3 HB1 CYS 3 -2.188 1.050 -4.368 15 H SER 4 H SER 4 -3.918 -0.318 -5.638 16 HA SER 4 HA SER 4 -5.404 -2.120 -4.041 17 HB2 SER 4 HB2 SER 4 -7.319 -1.421 -5.379 18 HB3 SER 4 HB1 SER 4 -6.327 -0.023 -4.976 19 HG SER 4 HG SER 4 -5.293 -0.440 -7.083 20 H ASP 5 H ASP 5 -3.846 -2.469 -7.135 21 HA ASP 5 HA ASP 5 -5.317 -4.951 -7.646 22 HB2 ASP 5 HB2 ASP 5 -3.420 -3.411 -9.413 23 HB3 ASP 5 HB1 ASP 5 -4.300 -4.861 -9.885 24 HA PRO 6 HA PRO 6 -1.809 -7.361 -6.296 25 HB2 PRO 6 HB2 PRO 6 -2.295 -9.694 -7.633 26 HB3 PRO 6 HB1 PRO 6 -3.232 -9.175 -6.221 27 HG2 PRO 6 HG2 PRO 6 -3.914 -9.018 -9.100 28 HG3 PRO 6 HG1 PRO 6 -4.946 -9.395 -7.714 29 HD2 PRO 6 HD2 PRO 6 -4.910 -6.936 -8.933 30 HD3 PRO 6 HD1 PRO 6 -5.329 -7.182 -7.230 31 H ARG 7 H ARG 7 -2.441 -6.796 -9.664 32 HA ARG 7 HA ARG 7 -0.203 -8.014 -10.823 33 HB2 ARG 7 HB2 ARG 7 -0.591 -6.595 -12.720 34 HB3 ARG 7 HB1 ARG 7 -2.162 -7.036 -12.050 35 HG2 ARG 7 HG2 ARG 7 -2.163 -4.870 -10.782 36 HG3 ARG 7 HG1 ARG 7 -0.679 -4.425 -11.621 37 HD2 ARG 7 HD2 ARG 7 -2.557 -3.446 -12.800 38 HD3 ARG 7 HD1 ARG 7 -1.862 -4.717 -13.795 39 HE ARG 7 HE ARG 7 -4.417 -4.863 -12.322 40 HH11 ARG 7 1HH2 ARG 7 -2.132 -6.219 -14.545 41 HH12 ARG 7 2HH2 ARG 7 -3.232 -7.407 -15.148 42 HH21 ARG 7 1HH1 ARG 7 -5.854 -6.421 -13.112 43 HH22 ARG 7 2HH1 ARG 7 -5.334 -7.525 -14.341 44 H ABA 8 H ABA 8 -0.468 -5.317 -8.743 45 HA ABA 8 HA ABA 8 2.375 -4.664 -9.268 46 HB3 ABA 8 HB1 ABA 8 0.012 -2.915 -9.226 47 HB2 ABA 8 HB2 ABA 8 1.584 -2.671 -9.970 48 HG1 ABA 8 HG ABA 8 2.140 -2.374 -7.217 49 H ARG 9 H ARG 9 3.254 -5.826 -7.642 50 HA ARG 9 HA ARG 9 2.171 -5.537 -4.928 51 HB2 ARG 9 HB2 ARG 9 4.225 -7.397 -6.131 52 HB3 ARG 9 HB1 ARG 9 3.865 -7.321 -4.403 53 HG2 ARG 9 HG2 ARG 9 1.557 -7.931 -4.789 54 HG3 ARG 9 HG1 ARG 9 1.773 -7.806 -6.536 55 HD2 ARG 9 HD2 ARG 9 1.844 -10.162 -5.821 56 HD3 ARG 9 HD1 ARG 9 3.402 -9.658 -6.470 57 HE ARG 9 HE ARG 9 4.319 -9.891 -4.336 58 HH11 ARG 9 1HH2 ARG 9 0.863 -10.032 -4.267 59 HH12 ARG 9 2HH2 ARG 9 0.780 -10.557 -2.619 60 HH21 ARG 9 1HH1 ARG 9 4.219 -10.578 -2.174 61 HH22 ARG 9 2HH1 ARG 9 2.680 -10.866 -1.434 62 H TYR 10 H TYR 10 3.059 -3.208 -5.403 63 HA TYR 10 HA TYR 10 5.844 -3.046 -4.431 64 HB2 TYR 10 HB2 TYR 10 4.257 -1.118 -6.135 65 HB3 TYR 10 HB1 TYR 10 5.810 -0.722 -5.396 66 HD1 TYR 10 HD1 TYR 10 7.870 -1.918 -6.067 67 HD2 TYR 10 HD2 TYR 10 4.111 -2.637 -8.017 68 HE1 TYR 10 HE1 TYR 10 9.053 -3.033 -7.939 69 HE2 TYR 10 HE2 TYR 10 5.294 -3.753 -9.888 70 HH TYR 10 HH TYR 10 8.579 -3.482 -10.404 71 H ARG 11 H ARG 11 6.186 -0.827 -3.291 72 HA ARG 11 HA ARG 11 4.926 -0.875 -0.838 73 HB2 ARG 11 HB2 ARG 11 6.167 1.459 -2.298 74 HB3 ARG 11 HB1 ARG 11 5.696 1.505 -0.600 75 HG2 ARG 11 HG2 ARG 11 7.233 -0.271 -0.050 76 HG3 ARG 11 HG1 ARG 11 7.587 -0.558 -1.754 77 HD2 ARG 11 HD2 ARG 11 8.154 2.049 -0.319 78 HD3 ARG 11 HD1 ARG 11 9.353 0.784 -0.576 79 HE ARG 11 HE ARG 11 8.233 1.397 -3.068 80 HH11 ARG 11 1HH2 ARG 11 10.087 2.890 -0.558 81 HH12 ARG 11 2HH2 ARG 11 10.921 3.970 -1.625 82 HH21 ARG 11 1HH1 ARG 11 9.321 2.809 -4.475 83 HH22 ARG 11 2HH1 ARG 11 10.486 3.924 -3.844 84 H CYS 12 H CYS 12 3.186 0.088 0.065 85 HA CYS 12 HA CYS 12 1.496 1.860 -1.521 86 HB2 CYS 12 HB2 CYS 12 0.667 -0.344 -2.110 87 HB3 CYS 12 HB1 CYS 12 0.544 -0.790 -0.410 88 H ARG 13 H ARG 13 1.181 3.510 -0.214 89 HA ARG 13 HA ARG 13 0.597 3.010 2.640 90 HB2 ARG 13 HB2 ARG 13 1.984 5.466 1.548 91 HB3 ARG 13 HB1 ARG 13 1.769 5.013 3.237 92 HG2 ARG 13 HG2 ARG 13 3.345 3.337 1.265 93 HG3 ARG 13 HG1 ARG 13 4.080 4.560 2.296 94 HD2 ARG 13 HD2 ARG 13 3.105 3.361 4.285 95 HD3 ARG 13 HD1 ARG 13 2.585 2.084 3.192 96 HE ARG 13 HE ARG 13 5.309 2.626 4.044 97 HH11 ARG 13 1HH2 ARG 13 3.176 1.097 1.789 98 HH12 ARG 13 2HH2 ARG 13 4.328 -0.103 1.303 99 HH21 ARG 13 1HH1 ARG 13 6.822 1.056 3.414 100 HH22 ARG 13 2HH1 ARG 13 6.392 -0.126 2.223 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -7.028 1.523 -8.802 2 H2 GLY 1 HT2 GLY 1 -6.097 1.857 -7.421 3 H3 GLY 1 HT3 GLY 1 -6.208 0.267 -8.010 4 HA2 GLY 1 HA2 GLY 1 -5.290 1.631 -10.166 5 HA3 GLY 1 HA1 GLY 1 -4.463 2.400 -8.810 6 H ABA 2 H ABA 2 -2.456 1.487 -9.458 7 HA ABA 2 HA ABA 2 -2.097 -1.338 -9.735 8 HB3 ABA 2 HB1 ABA 2 -0.535 1.002 -10.139 9 HB2 ABA 2 HB2 ABA 2 -0.148 -0.647 -10.606 10 HG1 ABA 2 HG ABA 2 0.895 0.862 -8.228 11 H CYS 3 H CYS 3 -1.935 0.949 -7.069 12 HA CYS 3 HA CYS 3 -0.556 -0.641 -5.196 13 HB2 CYS 3 HB2 CYS 3 -2.664 1.495 -4.866 14 HB3 CYS 3 HB1 CYS 3 -1.838 0.743 -3.503 15 H SER 4 H SER 4 -4.004 -0.395 -5.970 16 HA SER 4 HA SER 4 -4.853 -2.263 -3.993 17 HB2 SER 4 HB2 SER 4 -6.403 -0.633 -4.957 18 HB3 SER 4 HB1 SER 4 -6.209 -1.367 -6.547 19 HG SER 4 HG SER 4 -7.190 -2.655 -4.208 20 H ASP 5 H ASP 5 -4.120 -2.523 -7.455 21 HA ASP 5 HA ASP 5 -4.816 -5.258 -7.630 22 HB2 ASP 5 HB2 ASP 5 -3.140 -3.580 -9.454 23 HB3 ASP 5 HB1 ASP 5 -3.743 -5.191 -9.828 24 HA PRO 6 HA PRO 6 -1.145 -7.066 -5.664 25 HB2 PRO 6 HB2 PRO 6 -1.681 -9.318 -7.538 26 HB3 PRO 6 HB1 PRO 6 -1.492 -9.331 -5.773 27 HG2 PRO 6 HG2 PRO 6 -3.872 -9.610 -6.951 28 HG3 PRO 6 HG1 PRO 6 -3.670 -8.780 -5.397 29 HD2 PRO 6 HD2 PRO 6 -4.223 -7.639 -8.084 30 HD3 PRO 6 HD1 PRO 6 -4.650 -7.042 -6.474 31 H ARG 7 H ARG 7 -1.654 -6.963 -9.128 32 HA ARG 7 HA ARG 7 0.904 -7.754 -9.990 33 HB2 ARG 7 HB2 ARG 7 0.322 -6.861 -12.110 34 HB3 ARG 7 HB1 ARG 7 -1.190 -7.438 -11.405 35 HG2 ARG 7 HG2 ARG 7 -1.521 -5.064 -10.517 36 HG3 ARG 7 HG1 ARG 7 -0.197 -4.588 -11.580 37 HD2 ARG 7 HD2 ARG 7 -2.237 -4.222 -12.798 38 HD3 ARG 7 HD1 ARG 7 -1.469 -5.648 -13.489 39 HE ARG 7 HE ARG 7 -3.315 -6.344 -11.410 40 HH11 ARG 7 1HH2 ARG 7 -3.010 -5.373 -14.718 41 HH12 ARG 7 2HH2 ARG 7 -4.485 -6.128 -15.221 42 HH21 ARG 7 1HH1 ARG 7 -5.251 -7.337 -12.061 43 HH22 ARG 7 2HH1 ARG 7 -5.754 -7.240 -13.716 44 H ABA 8 H ABA 8 -0.048 -5.009 -8.269 45 HA ABA 8 HA ABA 8 2.584 -3.798 -8.745 46 HB3 ABA 8 HB1 ABA 8 -0.066 -2.540 -9.282 47 HB2 ABA 8 HB2 ABA 8 1.430 -2.409 -10.177 48 HG1 ABA 8 HG ABA 8 2.126 -1.158 -7.801 49 H ARG 9 H ARG 9 0.354 -4.940 -6.576 50 HA ARG 9 HA ARG 9 0.563 -3.015 -4.478 51 HB2 ARG 9 HB2 ARG 9 -1.146 -4.895 -4.716 52 HB3 ARG 9 HB1 ARG 9 0.117 -5.961 -4.095 53 HG2 ARG 9 HG2 ARG 9 0.296 -4.626 -2.057 54 HG3 ARG 9 HG1 ARG 9 -0.874 -3.467 -2.683 55 HD2 ARG 9 HD2 ARG 9 -2.060 -4.933 -1.193 56 HD3 ARG 9 HD1 ARG 9 -2.536 -5.361 -2.835 57 HE ARG 9 HE ARG 9 -0.323 -6.947 -2.038 58 HH11 ARG 9 1HH2 ARG 9 -3.700 -6.452 -1.465 59 HH12 ARG 9 2HH2 ARG 9 -4.004 -8.096 -1.014 60 HH21 ARG 9 1HH1 ARG 9 -0.716 -9.105 -1.448 61 HH22 ARG 9 2HH1 ARG 9 -2.315 -9.598 -1.005 62 H TYR 10 H TYR 10 3.075 -3.086 -5.307 63 HA TYR 10 HA TYR 10 4.552 -4.825 -3.432 64 HB2 TYR 10 HB2 TYR 10 5.528 -3.337 -5.880 65 HB3 TYR 10 HB1 TYR 10 6.527 -4.341 -4.832 66 HD1 TYR 10 HD1 TYR 10 5.487 -6.770 -4.352 67 HD2 TYR 10 HD2 TYR 10 4.633 -4.333 -7.783 68 HE1 TYR 10 HE1 TYR 10 4.780 -8.787 -5.609 69 HE2 TYR 10 HE2 TYR 10 3.926 -6.346 -9.037 70 HH TYR 10 HH TYR 10 2.961 -8.902 -8.025 71 H ARG 11 H ARG 11 4.322 -1.488 -4.628 72 HA ARG 11 HA ARG 11 6.039 -0.559 -2.442 73 HB2 ARG 11 HB2 ARG 11 4.820 0.852 -4.820 74 HB3 ARG 11 HB1 ARG 11 5.784 1.657 -3.585 75 HG2 ARG 11 HG2 ARG 11 7.693 0.210 -4.082 76 HG3 ARG 11 HG1 ARG 11 6.733 -0.683 -5.262 77 HD2 ARG 11 HD2 ARG 11 8.138 0.965 -6.406 78 HD3 ARG 11 HD1 ARG 11 6.439 1.399 -6.576 79 HE ARG 11 HE ARG 11 6.833 3.285 -5.260 80 HH11 ARG 11 1HH2 ARG 11 9.490 1.071 -5.151 81 HH12 ARG 11 2HH2 ARG 11 10.550 2.168 -4.333 82 HH21 ARG 11 1HH1 ARG 11 8.217 4.729 -4.185 83 HH22 ARG 11 2HH1 ARG 11 9.830 4.240 -3.786 84 H CYS 12 H CYS 12 2.812 -1.176 -2.934 85 HA CYS 12 HA CYS 12 1.987 0.889 -0.982 86 HB2 CYS 12 HB2 CYS 12 0.029 -0.538 -2.746 87 HB3 CYS 12 HB1 CYS 12 -0.089 1.057 -2.001 88 H ARG 13 H ARG 13 2.513 -0.383 0.816 89 HA ARG 13 HA ARG 13 1.394 -3.035 1.113 90 HB2 ARG 13 HB2 ARG 13 3.221 -1.282 2.650 91 HB3 ARG 13 HB1 ARG 13 2.238 -2.383 3.613 92 HG2 ARG 13 HG2 ARG 13 4.337 -3.484 3.033 93 HG3 ARG 13 HG1 ARG 13 3.019 -4.262 2.169 94 HD2 ARG 13 HD2 ARG 13 3.532 -2.920 0.162 95 HD3 ARG 13 HD1 ARG 13 4.851 -2.138 1.027 96 HE ARG 13 HE ARG 13 6.127 -4.067 0.735 97 HH11 ARG 13 1HH2 ARG 13 2.795 -4.618 -0.017 98 HH12 ARG 13 2HH2 ARG 13 3.066 -6.185 -0.703 99 HH21 ARG 13 1HH1 ARG 13 6.491 -6.121 -0.165 100 HH22 ARG 13 2HH1 ARG 13 5.158 -7.035 -0.787 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -6.840 1.279 -8.250 2 H2 GLY 1 HT2 GLY 1 -6.486 -0.032 -9.274 3 H3 GLY 1 HT3 GLY 1 -7.020 1.442 -9.929 4 HA2 GLY 1 HA2 GLY 1 -4.877 1.899 -10.260 5 HA3 GLY 1 HA1 GLY 1 -4.848 2.211 -8.524 6 H ABA 2 H ABA 2 -2.523 1.411 -9.590 7 HA ABA 2 HA ABA 2 -2.195 -1.439 -9.599 8 HB3 ABA 2 HB1 ABA 2 -0.583 0.882 -10.158 9 HB2 ABA 2 HB2 ABA 2 -0.340 -0.784 -10.670 10 HG1 ABA 2 HG ABA 2 0.945 0.617 -8.340 11 H CYS 3 H CYS 3 -2.238 1.060 -7.231 12 HA CYS 3 HA CYS 3 -0.695 -0.147 -5.205 13 HB2 CYS 3 HB2 CYS 3 -2.898 1.900 -5.167 14 HB3 CYS 3 HB1 CYS 3 -2.125 1.356 -3.689 15 H SER 4 H SER 4 -4.099 -0.396 -6.042 16 HA SER 4 HA SER 4 -4.664 -2.121 -3.769 17 HB2 SER 4 HB2 SER 4 -6.949 -2.109 -4.598 18 HB3 SER 4 HB1 SER 4 -6.320 -0.464 -4.584 19 HG SER 4 HG SER 4 -6.719 -0.435 -6.638 20 H ASP 5 H ASP 5 -4.032 -2.429 -7.208 21 HA ASP 5 HA ASP 5 -4.972 -5.104 -7.443 22 HB2 ASP 5 HB2 ASP 5 -3.090 -3.526 -9.183 23 HB3 ASP 5 HB1 ASP 5 -3.782 -5.079 -9.619 24 HA PRO 6 HA PRO 6 -1.449 -7.253 -5.767 25 HB2 PRO 6 HB2 PRO 6 -1.668 -9.636 -7.105 26 HB3 PRO 6 HB1 PRO 6 -2.728 -9.155 -5.770 27 HG2 PRO 6 HG2 PRO 6 -3.229 -9.108 -8.684 28 HG3 PRO 6 HG1 PRO 6 -4.331 -9.506 -7.358 29 HD2 PRO 6 HD2 PRO 6 -4.349 -7.095 -8.650 30 HD3 PRO 6 HD1 PRO 6 -4.878 -7.311 -6.973 31 H ARG 7 H ARG 7 -1.863 -7.256 -9.286 32 HA ARG 7 HA ARG 7 0.687 -8.145 -10.031 33 HB2 ARG 7 HB2 ARG 7 0.224 -7.224 -12.191 34 HB3 ARG 7 HB1 ARG 7 -1.309 -7.815 -11.544 35 HG2 ARG 7 HG2 ARG 7 -1.697 -5.448 -10.670 36 HG3 ARG 7 HG1 ARG 7 -0.327 -4.959 -11.667 37 HD2 ARG 7 HD2 ARG 7 -2.286 -4.596 -12.998 38 HD3 ARG 7 HD1 ARG 7 -1.518 -6.048 -13.631 39 HE ARG 7 HE ARG 7 -3.457 -6.690 -11.628 40 HH11 ARG 7 1HH2 ARG 7 -3.025 -5.717 -14.921 41 HH12 ARG 7 2HH2 ARG 7 -4.502 -6.434 -15.471 42 HH21 ARG 7 1HH1 ARG 7 -5.395 -7.633 -12.343 43 HH22 ARG 7 2HH1 ARG 7 -5.845 -7.520 -14.011 44 H ABA 8 H ABA 8 -0.370 -5.143 -8.713 45 HA ABA 8 HA ABA 8 2.347 -4.040 -9.093 46 HB3 ABA 8 HB1 ABA 8 -0.346 -2.723 -9.272 47 HB2 ABA 8 HB2 ABA 8 1.023 -2.607 -10.362 48 HG1 ABA 8 HG ABA 8 2.035 -1.499 -7.979 49 H ARG 9 H ARG 9 1.962 -5.703 -7.102 50 HA ARG 9 HA ARG 9 1.185 -4.286 -4.680 51 HB2 ARG 9 HB2 ARG 9 0.731 -6.750 -5.128 52 HB3 ARG 9 HB1 ARG 9 2.457 -7.007 -4.871 53 HG2 ARG 9 HG2 ARG 9 2.231 -5.895 -2.637 54 HG3 ARG 9 HG1 ARG 9 0.495 -5.805 -2.907 55 HD2 ARG 9 HD2 ARG 9 0.900 -7.777 -1.591 56 HD3 ARG 9 HD1 ARG 9 0.504 -8.312 -3.221 57 HE ARG 9 HE ARG 9 3.316 -8.007 -2.963 58 HH11 ARG 9 1HH2 ARG 9 0.654 -9.992 -1.986 59 HH12 ARG 9 2HH2 ARG 9 1.607 -11.429 -1.825 60 HH21 ARG 9 1HH1 ARG 9 4.571 -9.888 -2.753 61 HH22 ARG 9 2HH1 ARG 9 3.824 -11.371 -2.259 62 H TYR 10 H TYR 10 3.112 -2.829 -5.673 63 HA TYR 10 HA TYR 10 5.766 -3.640 -4.966 64 HB2 TYR 10 HB2 TYR 10 4.483 -1.054 -5.778 65 HB3 TYR 10 HB1 TYR 10 6.127 -1.053 -5.132 66 HD1 TYR 10 HD2 TYR 10 3.947 -2.440 -7.808 67 HD2 TYR 10 HD1 TYR 10 7.969 -1.859 -6.417 68 HE1 TYR 10 HE2 TYR 10 4.813 -3.182 -10.008 69 HE2 TYR 10 HE1 TYR 10 8.836 -2.602 -8.619 70 HH TYR 10 HH TYR 10 6.790 -4.052 -11.005 71 H ARG 11 H ARG 11 4.883 -0.553 -3.747 72 HA ARG 11 HA ARG 11 5.408 -1.501 -1.006 73 HB2 ARG 11 HB2 ARG 11 5.534 1.335 -2.054 74 HB3 ARG 11 HB1 ARG 11 6.146 0.731 -0.518 75 HG2 ARG 11 HG2 ARG 11 7.165 -0.312 -3.167 76 HG3 ARG 11 HG1 ARG 11 7.885 1.075 -2.369 77 HD2 ARG 11 HD2 ARG 11 7.637 -1.722 -1.223 78 HD3 ARG 11 HD1 ARG 11 9.117 -0.949 -1.761 79 HE ARG 11 HE ARG 11 7.714 -0.452 0.731 80 HH11 ARG 11 1HH2 ARG 11 9.989 0.664 -1.625 81 HH12 ARG 11 2HH2 ARG 11 10.808 1.729 -0.531 82 HH21 ARG 11 1HH1 ARG 11 8.782 0.941 2.171 83 HH22 ARG 11 2HH1 ARG 11 10.125 1.886 1.617 84 H CYS 12 H CYS 12 3.098 0.072 -3.045 85 HA CYS 12 HA CYS 12 1.481 1.381 -1.211 86 HB2 CYS 12 HB2 CYS 12 1.139 0.212 -3.884 87 HB3 CYS 12 HB1 CYS 12 -0.340 0.301 -2.946 88 H ARG 13 H ARG 13 -0.228 -1.362 -2.507 89 HA ARG 13 HA ARG 13 -0.452 -2.524 0.203 90 HB2 ARG 13 HB2 ARG 13 -2.506 -1.473 -1.567 91 HB3 ARG 13 HB1 ARG 13 -2.807 -3.162 -1.172 92 HG2 ARG 13 HG2 ARG 13 -3.884 -1.845 0.528 93 HG3 ARG 13 HG1 ARG 13 -2.446 -2.537 1.262 94 HD2 ARG 13 HD2 ARG 13 -1.228 -0.471 1.014 95 HD3 ARG 13 HD1 ARG 13 -2.512 0.226 0.032 96 HE ARG 13 HE ARG 13 -2.485 -0.029 2.927 97 HH11 ARG 13 1HH2 ARG 13 -4.329 0.428 0.035 98 HH12 ARG 13 2HH2 ARG 13 -5.655 1.201 0.838 99 HH21 ARG 13 1HH1 ARG 13 -4.220 0.984 3.987 100 HH22 ARG 13 2HH1 ARG 13 -5.593 1.515 3.075 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -2.643 4.553 -4.101 2 H2 GLY 1 HT2 GLY 1 -3.631 3.356 -4.793 3 H3 GLY 1 HT3 GLY 1 -3.563 4.908 -5.481 4 HA2 GLY 1 HA2 GLY 1 -1.690 4.496 -6.606 5 HA3 GLY 1 HA1 GLY 1 -1.001 3.593 -5.256 6 H ABA 2 H ABA 2 -0.511 2.444 -7.556 7 HA ABA 2 HA ABA 2 -2.404 0.845 -8.797 8 HB3 ABA 2 HB1 ABA 2 -0.117 1.111 -9.624 9 HB2 ABA 2 HB2 ABA 2 -0.568 -0.572 -9.492 10 HG1 ABA 2 HG ABA 2 1.269 0.963 -7.567 11 H CYS 3 H CYS 3 -1.480 0.768 -5.579 12 HA CYS 3 HA CYS 3 -1.379 -1.871 -4.804 13 HB2 CYS 3 HB2 CYS 3 -1.185 0.046 -3.247 14 HB3 CYS 3 HB1 CYS 3 -2.918 0.329 -3.409 15 H SER 4 H SER 4 -3.878 -0.367 -6.477 16 HA SER 4 HA SER 4 -6.176 -1.623 -5.487 17 HB2 SER 4 HB2 SER 4 -5.466 -0.787 -8.307 18 HB3 SER 4 HB1 SER 4 -7.076 -1.286 -7.796 19 HG SER 4 HG SER 4 -5.823 0.629 -6.233 20 H ASP 5 H ASP 5 -3.676 -2.759 -7.721 21 HA ASP 5 HA ASP 5 -5.010 -5.379 -7.758 22 HB2 ASP 5 HB2 ASP 5 -3.188 -4.149 -9.814 23 HB3 ASP 5 HB1 ASP 5 -3.803 -5.803 -9.880 24 HA PRO 6 HA PRO 6 -1.541 -7.232 -5.596 25 HB2 PRO 6 HB2 PRO 6 -1.610 -9.471 -7.549 26 HB3 PRO 6 HB1 PRO 6 -1.800 -9.506 -5.786 27 HG2 PRO 6 HG2 PRO 6 -3.851 -9.867 -7.471 28 HG3 PRO 6 HG1 PRO 6 -4.038 -9.099 -5.883 29 HD2 PRO 6 HD2 PRO 6 -4.068 -7.860 -8.593 30 HD3 PRO 6 HD1 PRO 6 -4.888 -7.386 -7.096 31 H ARG 7 H ARG 7 -1.494 -6.987 -9.093 32 HA ARG 7 HA ARG 7 1.173 -7.698 -9.591 33 HB2 ARG 7 HB2 ARG 7 0.915 -6.350 -11.665 34 HB3 ARG 7 HB1 ARG 7 -0.430 -7.463 -11.396 35 HG2 ARG 7 HG2 ARG 7 -1.911 -5.769 -11.244 36 HG3 ARG 7 HG1 ARG 7 -0.898 -4.888 -10.095 37 HD2 ARG 7 HD2 ARG 7 -0.329 -4.960 -13.066 38 HD3 ARG 7 HD1 ARG 7 -1.328 -3.718 -12.315 39 HE ARG 7 HE ARG 7 1.037 -3.824 -10.854 40 HH11 ARG 7 1HH2 ARG 7 -0.014 -3.183 -14.090 41 HH12 ARG 7 2HH2 ARG 7 1.266 -2.070 -14.436 42 HH21 ARG 7 1HH1 ARG 7 2.724 -2.360 -11.303 43 HH22 ARG 7 2HH1 ARG 7 2.816 -1.604 -12.858 44 H ABA 8 H ABA 8 -0.170 -4.911 -8.094 45 HA ABA 8 HA ABA 8 2.474 -3.579 -8.217 46 HB3 ABA 8 HB1 ABA 8 -0.302 -2.410 -8.111 47 HB2 ABA 8 HB2 ABA 8 0.863 -2.310 -9.424 48 HG1 ABA 8 HG ABA 8 2.197 -1.218 -7.149 49 H ARG 9 H ARG 9 1.613 -5.577 -6.340 50 HA ARG 9 HA ARG 9 0.858 -4.433 -3.869 51 HB2 ARG 9 HB2 ARG 9 1.581 -6.554 -2.920 52 HB3 ARG 9 HB1 ARG 9 0.643 -6.836 -4.387 53 HG2 ARG 9 HG2 ARG 9 2.821 -6.958 -5.651 54 HG3 ARG 9 HG1 ARG 9 3.660 -6.898 -4.099 55 HD2 ARG 9 HD2 ARG 9 2.475 -8.921 -3.365 56 HD3 ARG 9 HD1 ARG 9 1.607 -8.970 -4.897 57 HE ARG 9 HE ARG 9 4.398 -8.942 -5.390 58 HH11 ARG 9 1HH2 ARG 9 1.857 -10.935 -4.146 59 HH12 ARG 9 2HH2 ARG 9 2.619 -12.424 -4.593 60 HH21 ARG 9 1HH1 ARG 9 5.403 -10.891 -5.980 61 HH22 ARG 9 2HH1 ARG 9 4.627 -12.400 -5.631 62 H TYR 10 H TYR 10 3.771 -4.402 -5.666 63 HA TYR 10 HA TYR 10 5.672 -4.295 -3.557 64 HB2 TYR 10 HB2 TYR 10 6.074 -2.752 -6.093 65 HB3 TYR 10 HB1 TYR 10 7.224 -3.737 -5.185 66 HD1 TYR 10 HD1 TYR 10 6.325 -6.308 -4.888 67 HD2 TYR 10 HD2 TYR 10 5.394 -3.647 -8.131 68 HE1 TYR 10 HE1 TYR 10 5.802 -8.251 -6.336 69 HE2 TYR 10 HE2 TYR 10 4.878 -5.587 -9.575 70 HH TYR 10 HH TYR 10 5.623 -8.116 -9.598 71 H ARG 11 H ARG 11 4.355 -1.644 -5.551 72 HA ARG 11 HA ARG 11 5.403 0.441 -3.999 73 HB2 ARG 11 HB2 ARG 11 2.981 0.337 -5.808 74 HB3 ARG 11 HB1 ARG 11 3.593 1.824 -5.083 75 HG2 ARG 11 HG2 ARG 11 5.746 1.531 -6.185 76 HG3 ARG 11 HG1 ARG 11 5.237 -0.031 -6.827 77 HD2 ARG 11 HD2 ARG 11 4.999 1.674 -8.559 78 HD3 ARG 11 HD1 ARG 11 3.407 1.102 -8.069 79 HE ARG 11 HE ARG 11 4.174 3.389 -6.544 80 HH11 ARG 11 1HH2 ARG 11 3.076 2.343 -9.655 81 HH12 ARG 11 2HH2 ARG 11 2.290 3.841 -10.034 82 HH21 ARG 11 1HH1 ARG 11 3.147 5.355 -7.034 83 HH22 ARG 11 2HH1 ARG 11 2.331 5.545 -8.551 84 H CYS 12 H CYS 12 2.412 -1.391 -3.771 85 HA CYS 12 HA CYS 12 1.050 0.208 -1.919 86 HB2 CYS 12 HB2 CYS 12 0.189 -1.848 -3.134 87 HB3 CYS 12 HB1 CYS 12 1.027 -2.809 -1.917 88 H ARG 13 H ARG 13 3.529 -2.262 -1.446 89 HA ARG 13 HA ARG 13 3.423 -1.954 1.450 90 HB2 ARG 13 HB2 ARG 13 5.166 -3.642 -0.356 91 HB3 ARG 13 HB1 ARG 13 5.265 -3.647 1.407 92 HG2 ARG 13 HG2 ARG 13 2.958 -4.394 1.585 93 HG3 ARG 13 HG1 ARG 13 2.741 -4.254 -0.160 94 HD2 ARG 13 HD2 ARG 13 3.143 -6.586 0.393 95 HD3 ARG 13 HD1 ARG 13 4.537 -5.954 -0.480 96 HE ARG 13 HE ARG 13 4.953 -5.639 2.304 97 HH11 ARG 13 1HH2 ARG 13 4.731 -8.046 -0.172 98 HH12 ARG 13 2HH2 ARG 13 5.793 -9.160 0.624 99 HH21 ARG 13 1HH1 ARG 13 6.345 -7.095 3.353 100 HH22 ARG 13 2HH1 ARG 13 6.707 -8.621 2.619 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -1.768 4.578 -5.749 2 H2 GLY 1 HT2 GLY 1 -2.344 5.500 -7.056 3 H3 GLY 1 HT3 GLY 1 -0.863 4.677 -7.180 4 HA2 GLY 1 HA2 GLY 1 -3.387 3.223 -6.691 5 HA3 GLY 1 HA1 GLY 1 -2.868 3.641 -8.325 6 H ABA 2 H ABA 2 -2.852 1.207 -8.474 7 HA ABA 2 HA ABA 2 -1.672 -0.742 -8.698 8 HB3 ABA 2 HB1 ABA 2 0.231 1.358 -8.960 9 HB2 ABA 2 HB2 ABA 2 0.317 -0.259 -9.619 10 HG1 ABA 2 HG ABA 2 1.677 0.741 -7.135 11 H CYS 3 H CYS 3 -2.199 0.829 -5.952 12 HA CYS 3 HA CYS 3 -0.570 -0.558 -4.062 13 HB2 CYS 3 HB2 CYS 3 -1.567 1.596 -3.511 14 HB3 CYS 3 HB1 CYS 3 -3.184 0.919 -3.708 15 H SER 4 H SER 4 -3.949 -0.932 -5.099 16 HA SER 4 HA SER 4 -4.178 -3.412 -3.562 17 HB2 SER 4 HB2 SER 4 -6.542 -3.301 -4.095 18 HB3 SER 4 HB1 SER 4 -6.007 -1.719 -3.533 19 HG SER 4 HG SER 4 -6.767 -1.034 -5.365 20 H ASP 5 H ASP 5 -3.299 -2.473 -6.672 21 HA ASP 5 HA ASP 5 -4.427 -4.632 -8.148 22 HB2 ASP 5 HB2 ASP 5 -2.058 -2.983 -8.899 23 HB3 ASP 5 HB1 ASP 5 -3.097 -3.894 -9.978 24 HA PRO 6 HA PRO 6 -1.679 -7.929 -6.714 25 HB2 PRO 6 HB2 PRO 6 -2.217 -9.038 -9.439 26 HB3 PRO 6 HB1 PRO 6 -2.400 -9.812 -7.852 27 HG2 PRO 6 HG2 PRO 6 -4.503 -8.963 -9.265 28 HG3 PRO 6 HG1 PRO 6 -4.466 -8.909 -7.493 29 HD2 PRO 6 HD2 PRO 6 -4.231 -6.679 -9.454 30 HD3 PRO 6 HD1 PRO 6 -4.853 -6.682 -7.792 31 H ARG 7 H ARG 7 -1.403 -6.573 -9.977 32 HA ARG 7 HA ARG 7 1.259 -7.486 -10.446 33 HB2 ARG 7 HB2 ARG 7 1.225 -6.013 -12.380 34 HB3 ARG 7 HB1 ARG 7 -0.320 -6.857 -12.258 35 HG2 ARG 7 HG2 ARG 7 -1.253 -4.869 -11.065 36 HG3 ARG 7 HG1 ARG 7 0.265 -4.025 -11.363 37 HD2 ARG 7 HD2 ARG 7 -1.314 -3.400 -13.096 38 HD3 ARG 7 HD1 ARG 7 -0.056 -4.404 -13.812 39 HE ARG 7 HE ARG 7 -1.658 -6.050 -14.204 40 HH11 ARG 7 1HH2 ARG 7 -2.837 -3.622 -12.040 41 HH12 ARG 7 2HH2 ARG 7 -4.470 -4.197 -12.064 42 HH21 ARG 7 1HH1 ARG 7 -3.798 -6.811 -14.241 43 HH22 ARG 7 2HH1 ARG 7 -5.015 -6.002 -13.310 44 H ABA 8 H ABA 8 0.009 -4.991 -8.506 45 HA ABA 8 HA ABA 8 2.712 -3.850 -8.183 46 HB3 ABA 8 HB1 ABA 8 0.156 -2.322 -8.556 47 HB2 ABA 8 HB2 ABA 8 1.598 -2.253 -9.558 48 HG1 ABA 8 HG ABA 8 2.590 -1.521 -7.037 49 H ARG 9 H ARG 9 0.639 -5.631 -6.665 50 HA ARG 9 HA ARG 9 -0.217 -4.361 -4.344 51 HB2 ARG 9 HB2 ARG 9 -0.810 -6.673 -4.932 52 HB3 ARG 9 HB1 ARG 9 0.852 -7.178 -4.621 53 HG2 ARG 9 HG2 ARG 9 0.671 -6.569 -2.292 54 HG3 ARG 9 HG1 ARG 9 -0.906 -5.829 -2.562 55 HD2 ARG 9 HD2 ARG 9 -1.850 -8.010 -3.163 56 HD3 ARG 9 HD1 ARG 9 -0.270 -8.762 -2.971 57 HE ARG 9 HE ARG 9 -0.580 -8.711 -0.663 58 HH11 ARG 9 1HH2 ARG 9 -2.872 -6.696 -2.293 59 HH12 ARG 9 2HH2 ARG 9 -3.823 -6.397 -0.878 60 HH21 ARG 9 1HH1 ARG 9 -1.823 -8.323 1.198 61 HH22 ARG 9 2HH1 ARG 9 -3.230 -7.319 1.098 62 H TYR 10 H TYR 10 2.968 -5.023 -5.406 63 HA TYR 10 HA TYR 10 4.256 -5.162 -2.860 64 HB2 TYR 10 HB2 TYR 10 5.656 -4.084 -5.276 65 HB3 TYR 10 HB1 TYR 10 6.238 -5.205 -4.044 66 HD1 TYR 10 HD2 TYR 10 5.377 -7.569 -3.999 67 HD2 TYR 10 HD1 TYR 10 4.541 -4.864 -7.228 68 HE1 TYR 10 HE2 TYR 10 4.729 -9.482 -5.434 69 HE2 TYR 10 HE1 TYR 10 3.891 -6.776 -8.662 70 HH TYR 10 HH TYR 10 4.524 -9.362 -8.677 71 H ARG 11 H ARG 11 3.884 -2.513 -5.232 72 HA ARG 11 HA ARG 11 4.873 -0.589 -3.259 73 HB2 ARG 11 HB2 ARG 11 4.010 -0.199 -6.133 74 HB3 ARG 11 HB1 ARG 11 4.777 1.015 -5.111 75 HG2 ARG 11 HG2 ARG 11 6.792 -0.281 -4.945 76 HG3 ARG 11 HG1 ARG 11 6.024 -1.671 -5.709 77 HD2 ARG 11 HD2 ARG 11 5.703 -0.306 -7.772 78 HD3 ARG 11 HD1 ARG 11 6.586 1.010 -7.003 79 HE ARG 11 HE ARG 11 8.562 -0.190 -7.315 80 HH11 ARG 11 1HH2 ARG 11 5.769 -2.108 -7.993 81 HH12 ARG 11 2HH2 ARG 11 6.661 -3.402 -8.720 82 HH21 ARG 11 1HH1 ARG 11 9.745 -1.881 -8.269 83 HH22 ARG 11 2HH1 ARG 11 8.913 -3.274 -8.876 84 H CYS 12 H CYS 12 3.662 1.089 -2.427 85 HA CYS 12 HA CYS 12 0.931 1.544 -3.216 86 HB2 CYS 12 HB2 CYS 12 0.633 -0.470 -1.855 87 HB3 CYS 12 HB1 CYS 12 1.486 0.303 -0.513 88 H ARG 13 H ARG 13 0.740 3.668 -3.076 89 HA ARG 13 HA ARG 13 2.468 5.209 -1.321 90 HB2 ARG 13 HB2 ARG 13 1.052 7.127 -2.394 91 HB3 ARG 13 HB1 ARG 13 2.230 6.261 -3.386 92 HG2 ARG 13 HG2 ARG 13 0.513 4.873 -4.349 93 HG3 ARG 13 HG1 ARG 13 -0.690 5.479 -3.210 94 HD2 ARG 13 HD2 ARG 13 0.767 7.237 -5.193 95 HD3 ARG 13 HD1 ARG 13 -0.804 6.509 -5.510 96 HE ARG 13 HE ARG 13 -0.978 7.866 -3.063 97 HH11 ARG 13 1HH2 ARG 13 -0.433 8.502 -6.420 98 HH12 ARG 13 2HH2 ARG 13 -1.128 10.088 -6.375 99 HH21 ARG 13 1HH1 ARG 13 -1.892 9.945 -2.995 100 HH22 ARG 13 2HH1 ARG 13 -1.954 10.904 -4.435 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -6.054 1.258 -7.511 2 H2 GLY 1 HT2 GLY 1 -6.065 1.240 -9.210 3 H3 GLY 1 HT3 GLY 1 -6.367 2.687 -8.371 4 HA2 GLY 1 HA2 GLY 1 -4.135 2.716 -9.247 5 HA3 GLY 1 HA1 GLY 1 -4.104 2.653 -7.485 6 H ABA 2 H ABA 2 -1.889 1.825 -8.845 7 HA ABA 2 HA ABA 2 -1.868 -0.959 -9.436 8 HB3 ABA 2 HB1 ABA 2 -0.068 1.182 -9.676 9 HB2 ABA 2 HB2 ABA 2 0.192 -0.470 -10.200 10 HG1 ABA 2 HG ABA 2 1.310 0.831 -7.736 11 H CYS 3 H CYS 3 -1.113 0.919 -6.531 12 HA CYS 3 HA CYS 3 -0.069 -1.034 -4.889 13 HB2 CYS 3 HB2 CYS 3 -0.180 0.726 -3.508 14 HB3 CYS 3 HB1 CYS 3 -1.374 1.508 -4.541 15 H SER 4 H SER 4 -3.517 -0.297 -5.373 16 HA SER 4 HA SER 4 -4.507 -2.360 -3.721 17 HB2 SER 4 HB2 SER 4 -5.759 -0.939 -6.079 18 HB3 SER 4 HB1 SER 4 -6.630 -2.039 -5.015 19 HG SER 4 HG SER 4 -6.538 0.385 -4.572 20 H ASP 5 H ASP 5 -3.730 -2.257 -7.172 21 HA ASP 5 HA ASP 5 -4.769 -4.801 -7.809 22 HB2 ASP 5 HB2 ASP 5 -2.629 -3.153 -9.141 23 HB3 ASP 5 HB1 ASP 5 -3.309 -4.619 -9.833 24 HA PRO 6 HA PRO 6 -1.692 -7.508 -6.083 25 HB2 PRO 6 HB2 PRO 6 -1.942 -9.650 -7.780 26 HB3 PRO 6 HB1 PRO 6 -3.105 -9.274 -6.496 27 HG2 PRO 6 HG2 PRO 6 -3.271 -8.757 -9.407 28 HG3 PRO 6 HG1 PRO 6 -4.542 -9.231 -8.271 29 HD2 PRO 6 HD2 PRO 6 -4.228 -6.672 -9.176 30 HD3 PRO 6 HD1 PRO 6 -4.932 -7.070 -7.597 31 H ARG 7 H ARG 7 -1.575 -6.612 -9.444 32 HA ARG 7 HA ARG 7 1.011 -7.746 -9.975 33 HB2 ARG 7 HB2 ARG 7 0.864 -6.290 -12.033 34 HB3 ARG 7 HB1 ARG 7 -0.463 -7.436 -11.831 35 HG2 ARG 7 HG2 ARG 7 -2.002 -5.793 -11.383 36 HG3 ARG 7 HG1 ARG 7 -0.816 -4.749 -10.591 37 HD2 ARG 7 HD2 ARG 7 -0.791 -5.276 -13.567 38 HD3 ARG 7 HD1 ARG 7 -1.692 -3.943 -12.851 39 HE ARG 7 HE ARG 7 0.931 -3.830 -11.867 40 HH11 ARG 7 1HH2 ARG 7 -0.821 -3.558 -14.840 41 HH12 ARG 7 2HH2 ARG 7 0.301 -2.454 -15.563 42 HH21 ARG 7 1HH1 ARG 7 2.409 -2.380 -12.812 43 HH22 ARG 7 2HH1 ARG 7 2.130 -1.787 -14.415 44 H ABA 8 H ABA 8 -0.117 -4.945 -8.386 45 HA ABA 8 HA ABA 8 2.631 -3.869 -8.342 46 HB3 ABA 8 HB1 ABA 8 0.097 -2.420 -8.991 47 HB2 ABA 8 HB2 ABA 8 1.623 -2.392 -9.855 48 HG1 ABA 8 HG ABA 8 2.381 -1.334 -7.401 49 H ARG 9 H ARG 9 1.106 -5.524 -6.470 50 HA ARG 9 HA ARG 9 0.161 -4.014 -4.274 51 HB2 ARG 9 HB2 ARG 9 0.383 -6.075 -3.008 52 HB3 ARG 9 HB1 ARG 9 -0.274 -6.434 -4.599 53 HG2 ARG 9 HG2 ARG 9 1.993 -7.049 -5.387 54 HG3 ARG 9 HG1 ARG 9 2.631 -6.735 -3.773 55 HD2 ARG 9 HD2 ARG 9 2.241 -9.108 -3.971 56 HD3 ARG 9 HD1 ARG 9 1.040 -8.437 -2.870 57 HE ARG 9 HE ARG 9 0.032 -8.469 -5.530 58 HH11 ARG 9 1HH2 ARG 9 0.815 -10.492 -2.835 59 HH12 ARG 9 2HH2 ARG 9 -0.361 -11.703 -3.225 60 HH21 ARG 9 1HH1 ARG 9 -1.511 -10.053 -6.048 61 HH22 ARG 9 2HH1 ARG 9 -1.678 -11.454 -5.044 62 H TYR 10 H TYR 10 3.282 -4.428 -5.513 63 HA TYR 10 HA TYR 10 4.785 -4.330 -3.099 64 HB2 TYR 10 HB2 TYR 10 5.779 -3.223 -5.711 65 HB3 TYR 10 HB1 TYR 10 6.660 -4.104 -4.465 66 HD1 TYR 10 HD2 TYR 10 6.089 -6.565 -4.068 67 HD2 TYR 10 HD1 TYR 10 4.758 -4.364 -7.509 68 HE1 TYR 10 HE2 TYR 10 5.639 -8.693 -5.256 69 HE2 TYR 10 HE1 TYR 10 4.306 -6.491 -8.695 70 HH TYR 10 HH TYR 10 4.814 -9.636 -7.089 71 H ARG 11 H ARG 11 3.565 -1.873 -5.317 72 HA ARG 11 HA ARG 11 4.906 0.344 -4.223 73 HB2 ARG 11 HB2 ARG 11 2.255 0.126 -5.664 74 HB3 ARG 11 HB1 ARG 11 3.012 1.662 -5.241 75 HG2 ARG 11 HG2 ARG 11 4.660 -0.369 -6.689 76 HG3 ARG 11 HG1 ARG 11 3.456 0.537 -7.605 77 HD2 ARG 11 HD2 ARG 11 5.619 1.774 -5.875 78 HD3 ARG 11 HD1 ARG 11 5.676 1.655 -7.629 79 HE ARG 11 HE ARG 11 4.082 3.509 -6.070 80 HH11 ARG 11 1HH2 ARG 11 4.534 1.855 -9.075 81 HH12 ARG 11 2HH2 ARG 11 3.656 3.022 -10.008 82 HH21 ARG 11 1HH1 ARG 11 2.928 5.043 -7.286 83 HH22 ARG 11 2HH1 ARG 11 2.747 4.826 -8.994 84 H CYS 12 H CYS 12 1.839 -1.178 -3.386 85 HA CYS 12 HA CYS 12 1.006 0.778 -1.502 86 HB2 CYS 12 HB2 CYS 12 -0.128 -1.465 -2.615 87 HB3 CYS 12 HB1 CYS 12 0.150 -1.969 -0.950 88 H ARG 13 H ARG 13 2.855 -2.227 -1.205 89 HA ARG 13 HA ARG 13 3.135 -1.908 1.670 90 HB2 ARG 13 HB2 ARG 13 3.821 -4.081 1.662 91 HB3 ARG 13 HB1 ARG 13 3.180 -4.101 0.018 92 HG2 ARG 13 HG2 ARG 13 5.472 -3.362 -0.779 93 HG3 ARG 13 HG1 ARG 13 6.060 -3.650 0.865 94 HD2 ARG 13 HD2 ARG 13 4.903 -5.993 0.531 95 HD3 ARG 13 HD1 ARG 13 5.102 -5.613 -1.177 96 HE ARG 13 HE ARG 13 7.212 -6.237 0.714 97 HH11 ARG 13 1HH2 ARG 13 6.322 -4.746 -2.279 98 HH12 ARG 13 2HH2 ARG 13 7.908 -4.856 -2.965 99 HH21 ARG 13 1HH1 ARG 13 9.295 -6.385 -0.179 100 HH22 ARG 13 2HH1 ARG 13 9.592 -5.785 -1.776 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -3.238 5.074 -6.111 2 H2 GLY 1 HT2 GLY 1 -2.673 5.081 -4.508 3 H3 GLY 1 HT3 GLY 1 -3.666 3.815 -5.057 4 HA2 GLY 1 HA2 GLY 1 -1.106 4.324 -6.409 5 HA3 GLY 1 HA1 GLY 1 -1.120 3.453 -4.875 6 H ABA 2 H ABA 2 -0.386 2.372 -7.445 7 HA ABA 2 HA ABA 2 -2.373 0.906 -8.725 8 HB3 ABA 2 HB1 ABA 2 -0.121 1.063 -9.625 9 HB2 ABA 2 HB2 ABA 2 -0.558 -0.601 -9.406 10 HG1 ABA 2 HG ABA 2 1.316 0.976 -7.559 11 H CYS 3 H CYS 3 -1.493 0.745 -5.528 12 HA CYS 3 HA CYS 3 -1.468 -1.908 -4.790 13 HB2 CYS 3 HB2 CYS 3 -1.268 0.005 -3.215 14 HB3 CYS 3 HB1 CYS 3 -2.999 0.289 -3.387 15 H SER 4 H SER 4 -3.895 -0.309 -6.495 16 HA SER 4 HA SER 4 -6.241 -1.538 -5.558 17 HB2 SER 4 HB2 SER 4 -7.177 -1.002 -7.751 18 HB3 SER 4 HB1 SER 4 -6.204 0.343 -7.165 19 HG SER 4 HG SER 4 -5.016 -1.667 -8.726 20 H ASP 5 H ASP 5 -3.574 -2.800 -7.363 21 HA ASP 5 HA ASP 5 -4.991 -5.352 -7.604 22 HB2 ASP 5 HB2 ASP 5 -3.274 -4.045 -9.701 23 HB3 ASP 5 HB1 ASP 5 -3.782 -5.732 -9.767 24 HA PRO 6 HA PRO 6 -1.490 -7.231 -5.567 25 HB2 PRO 6 HB2 PRO 6 -1.604 -9.455 -7.523 26 HB3 PRO 6 HB1 PRO 6 -1.794 -9.499 -5.759 27 HG2 PRO 6 HG2 PRO 6 -3.859 -9.826 -7.449 28 HG3 PRO 6 HG1 PRO 6 -4.031 -9.075 -5.853 29 HD2 PRO 6 HD2 PRO 6 -4.022 -7.799 -8.552 30 HD3 PRO 6 HD1 PRO 6 -4.863 -7.326 -7.064 31 H ARG 7 H ARG 7 -1.495 -7.033 -9.077 32 HA ARG 7 HA ARG 7 1.170 -7.728 -9.608 33 HB2 ARG 7 HB2 ARG 7 0.879 -6.675 -11.732 34 HB3 ARG 7 HB1 ARG 7 -0.687 -7.362 -11.294 35 HG2 ARG 7 HG2 ARG 7 -1.268 -5.092 -10.313 36 HG3 ARG 7 HG1 ARG 7 0.183 -4.475 -11.097 37 HD2 ARG 7 HD2 ARG 7 -1.713 -4.093 -12.566 38 HD3 ARG 7 HD1 ARG 7 -0.682 -5.329 -13.278 39 HE ARG 7 HE ARG 7 -2.766 -6.452 -11.647 40 HH11 ARG 7 1HH2 ARG 7 -1.971 -5.101 -14.732 41 HH12 ARG 7 2HH2 ARG 7 -3.227 -5.942 -15.578 42 HH21 ARG 7 1HH1 ARG 7 -4.416 -7.559 -12.750 43 HH22 ARG 7 2HH1 ARG 7 -4.611 -7.334 -14.456 44 H ABA 8 H ABA 8 -0.160 -4.939 -8.095 45 HA ABA 8 HA ABA 8 2.475 -3.594 -8.247 46 HB3 ABA 8 HB1 ABA 8 -0.277 -2.399 -8.031 47 HB2 ABA 8 HB2 ABA 8 0.832 -2.297 -9.403 48 HG1 ABA 8 HG ABA 8 2.243 -1.252 -7.130 49 H ARG 9 H ARG 9 1.721 -5.618 -6.396 50 HA ARG 9 HA ARG 9 0.981 -4.511 -3.891 51 HB2 ARG 9 HB2 ARG 9 1.704 -6.629 -2.969 52 HB3 ARG 9 HB1 ARG 9 0.814 -6.926 -4.462 53 HG2 ARG 9 HG2 ARG 9 3.035 -6.975 -5.667 54 HG3 ARG 9 HG1 ARG 9 3.821 -6.929 -4.089 55 HD2 ARG 9 HD2 ARG 9 2.689 -8.993 -3.431 56 HD3 ARG 9 HD1 ARG 9 1.824 -9.027 -4.965 57 HE ARG 9 HE ARG 9 3.783 -9.774 -6.006 58 HH11 ARG 9 1HH2 ARG 9 4.357 -8.731 -2.757 59 HH12 ARG 9 2HH2 ARG 9 5.964 -9.373 -2.688 60 HH21 ARG 9 1HH1 ARG 9 5.890 -10.619 -5.923 61 HH22 ARG 9 2HH1 ARG 9 6.832 -10.442 -4.480 62 H TYR 10 H TYR 10 3.834 -4.356 -5.738 63 HA TYR 10 HA TYR 10 5.767 -4.261 -3.654 64 HB2 TYR 10 HB2 TYR 10 6.127 -2.707 -6.186 65 HB3 TYR 10 HB1 TYR 10 7.288 -3.704 -5.306 66 HD1 TYR 10 HD1 TYR 10 6.390 -6.277 -5.021 67 HD2 TYR 10 HD2 TYR 10 5.413 -3.581 -8.220 68 HE1 TYR 10 HE1 TYR 10 5.850 -8.206 -6.484 69 HE2 TYR 10 HE2 TYR 10 4.875 -5.507 -9.681 70 HH TYR 10 HH TYR 10 5.793 -8.233 -9.542 71 H ARG 11 H ARG 11 4.220 -1.646 -5.546 72 HA ARG 11 HA ARG 11 5.302 0.470 -4.010 73 HB2 ARG 11 HB2 ARG 11 2.848 0.334 -5.779 74 HB3 ARG 11 HB1 ARG 11 3.470 1.824 -5.070 75 HG2 ARG 11 HG2 ARG 11 5.373 0.080 -6.581 76 HG3 ARG 11 HG1 ARG 11 4.228 1.058 -7.497 77 HD2 ARG 11 HD2 ARG 11 5.007 3.080 -6.313 78 HD3 ARG 11 HD1 ARG 11 6.149 2.105 -5.394 79 HE ARG 11 HE ARG 11 6.620 1.661 -8.132 80 HH11 ARG 11 1HH2 ARG 11 6.796 4.160 -5.744 81 HH12 ARG 11 2HH2 ARG 11 8.107 4.991 -6.511 82 HH21 ARG 11 1HH1 ARG 11 8.340 2.747 -9.143 83 HH22 ARG 11 2HH1 ARG 11 8.981 4.192 -8.436 84 H CYS 12 H CYS 12 2.339 -1.406 -3.769 85 HA CYS 12 HA CYS 12 0.963 0.153 -1.883 86 HB2 CYS 12 HB2 CYS 12 0.114 -1.884 -3.130 87 HB3 CYS 12 HB1 CYS 12 0.959 -2.860 -1.934 88 H ARG 13 H ARG 13 3.315 -2.460 -1.393 89 HA ARG 13 HA ARG 13 3.249 -2.167 1.482 90 HB2 ARG 13 HB2 ARG 13 4.579 -3.944 -0.478 91 HB3 ARG 13 HB1 ARG 13 5.467 -3.658 1.018 92 HG2 ARG 13 HG2 ARG 13 4.008 -5.614 1.273 93 HG3 ARG 13 HG1 ARG 13 3.445 -4.305 2.307 94 HD2 ARG 13 HD2 ARG 13 1.677 -3.745 0.796 95 HD3 ARG 13 HD1 ARG 13 2.352 -4.760 -0.474 96 HE ARG 13 HE ARG 13 1.834 -6.439 1.686 97 HH11 ARG 13 1HH2 ARG 13 0.113 -4.312 -0.432 98 HH12 ARG 13 2HH2 ARG 13 -1.365 -5.212 -0.360 99 HH21 ARG 13 1HH1 ARG 13 -0.101 -7.624 1.787 100 HH22 ARG 13 2HH1 ARG 13 -1.486 -7.087 0.896 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -6.233 2.768 -9.048 2 H2 GLY 1 HT2 GLY 1 -6.317 1.523 -7.896 3 H3 GLY 1 HT3 GLY 1 -5.819 1.182 -9.485 4 HA2 GLY 1 HA2 GLY 1 -3.947 2.867 -9.012 5 HA3 GLY 1 HA1 GLY 1 -4.348 2.538 -7.326 6 H ABA 2 H ABA 2 -1.911 1.848 -8.844 7 HA ABA 2 HA ABA 2 -1.892 -0.921 -9.442 8 HB3 ABA 2 HB1 ABA 2 -0.069 1.207 -9.594 9 HB2 ABA 2 HB2 ABA 2 0.177 -0.437 -10.158 10 HG1 ABA 2 HG ABA 2 1.279 0.818 -7.656 11 H CYS 3 H CYS 3 -1.156 0.908 -6.482 12 HA CYS 3 HA CYS 3 -0.132 -1.066 -4.870 13 HB2 CYS 3 HB2 CYS 3 -0.264 0.705 -3.494 14 HB3 CYS 3 HB1 CYS 3 -1.538 1.439 -4.467 15 H SER 4 H SER 4 -3.574 -0.339 -5.372 16 HA SER 4 HA SER 4 -4.577 -2.451 -3.797 17 HB2 SER 4 HB2 SER 4 -5.795 -0.968 -6.131 18 HB3 SER 4 HB1 SER 4 -6.677 -2.117 -5.130 19 HG SER 4 HG SER 4 -6.230 -0.803 -3.339 20 H ASP 5 H ASP 5 -3.749 -2.245 -7.231 21 HA ASP 5 HA ASP 5 -4.759 -4.779 -7.917 22 HB2 ASP 5 HB2 ASP 5 -2.657 -3.128 -9.271 23 HB3 ASP 5 HB1 ASP 5 -3.443 -4.537 -9.970 24 HA PRO 6 HA PRO 6 -1.646 -7.458 -5.984 25 HB2 PRO 6 HB2 PRO 6 -2.192 -9.203 -8.344 26 HB3 PRO 6 HB1 PRO 6 -2.219 -9.600 -6.614 27 HG2 PRO 6 HG2 PRO 6 -4.457 -9.290 -8.028 28 HG3 PRO 6 HG1 PRO 6 -4.342 -8.804 -6.325 29 HD2 PRO 6 HD2 PRO 6 -4.429 -7.109 -8.769 30 HD3 PRO 6 HD1 PRO 6 -4.962 -6.768 -7.119 31 H ARG 7 H ARG 7 -1.642 -6.810 -9.446 32 HA ARG 7 HA ARG 7 0.981 -7.704 -10.011 33 HB2 ARG 7 HB2 ARG 7 0.757 -6.604 -12.100 34 HB3 ARG 7 HB1 ARG 7 -0.864 -7.160 -11.673 35 HG2 ARG 7 HG2 ARG 7 -1.207 -4.848 -10.613 36 HG3 ARG 7 HG1 ARG 7 0.259 -4.368 -11.468 37 HD2 ARG 7 HD2 ARG 7 -1.588 -3.794 -12.892 38 HD3 ARG 7 HD1 ARG 7 -0.818 -5.214 -13.596 39 HE ARG 7 HE ARG 7 -2.919 -5.973 -11.818 40 HH11 ARG 7 1HH2 ARG 7 -2.237 -4.658 -14.946 41 HH12 ARG 7 2HH2 ARG 7 -3.698 -5.248 -15.665 42 HH21 ARG 7 1HH1 ARG 7 -4.837 -6.750 -12.754 43 HH22 ARG 7 2HH1 ARG 7 -5.171 -6.432 -14.424 44 H ABA 8 H ABA 8 -0.153 -4.912 -8.376 45 HA ABA 8 HA ABA 8 2.605 -3.869 -8.315 46 HB3 ABA 8 HB1 ABA 8 0.074 -2.407 -8.967 47 HB2 ABA 8 HB2 ABA 8 1.620 -2.373 -9.791 48 HG1 ABA 8 HG ABA 8 2.346 -1.320 -7.344 49 H ARG 9 H ARG 9 1.186 -5.546 -6.446 50 HA ARG 9 HA ARG 9 0.205 -4.090 -4.224 51 HB2 ARG 9 HB2 ARG 9 -0.186 -6.487 -4.471 52 HB3 ARG 9 HB1 ARG 9 1.543 -6.804 -4.329 53 HG2 ARG 9 HG2 ARG 9 1.571 -5.992 -2.060 54 HG3 ARG 9 HG1 ARG 9 -0.084 -5.405 -2.200 55 HD2 ARG 9 HD2 ARG 9 -0.002 -7.552 -0.985 56 HD3 ARG 9 HD1 ARG 9 -0.889 -7.711 -2.497 57 HE ARG 9 HE ARG 9 0.818 -9.087 -3.306 58 HH11 ARG 9 1HH2 ARG 9 1.715 -7.522 -0.354 59 HH12 ARG 9 2HH2 ARG 9 3.141 -8.476 -0.120 60 HH21 ARG 9 1HH1 ARG 9 2.685 -10.342 -3.007 61 HH22 ARG 9 2HH1 ARG 9 3.691 -10.072 -1.622 62 H TYR 10 H TYR 10 3.363 -4.543 -5.476 63 HA TYR 10 HA TYR 10 4.892 -4.329 -3.103 64 HB2 TYR 10 HB2 TYR 10 5.826 -3.197 -5.719 65 HB3 TYR 10 HB1 TYR 10 6.728 -4.079 -4.491 66 HD1 TYR 10 HD2 TYR 10 6.250 -6.555 -4.134 67 HD2 TYR 10 HD1 TYR 10 4.747 -4.329 -7.484 68 HE1 TYR 10 HE2 TYR 10 5.801 -8.674 -5.340 69 HE2 TYR 10 HE1 TYR 10 4.298 -6.444 -8.687 70 HH TYR 10 HH TYR 10 5.536 -9.447 -7.660 71 H ARG 11 H ARG 11 3.580 -1.915 -5.318 72 HA ARG 11 HA ARG 11 4.902 0.339 -4.251 73 HB2 ARG 11 HB2 ARG 11 2.252 0.074 -5.680 74 HB3 ARG 11 HB1 ARG 11 2.987 1.623 -5.269 75 HG2 ARG 11 HG2 ARG 11 4.673 -0.383 -6.705 76 HG3 ARG 11 HG1 ARG 11 3.442 0.478 -7.627 77 HD2 ARG 11 HD2 ARG 11 4.372 2.626 -6.925 78 HD3 ARG 11 HD1 ARG 11 5.564 1.812 -5.917 79 HE ARG 11 HE ARG 11 5.815 0.855 -8.559 80 HH11 ARG 11 1HH2 ARG 11 6.243 3.721 -6.667 81 HH12 ARG 11 2HH2 ARG 11 7.521 4.348 -7.654 82 HH21 ARG 11 1HH1 ARG 11 7.491 1.671 -9.857 83 HH22 ARG 11 2HH1 ARG 11 8.227 3.188 -9.460 84 H CYS 12 H CYS 12 1.856 -1.208 -3.396 85 HA CYS 12 HA CYS 12 0.999 0.747 -1.533 86 HB2 CYS 12 HB2 CYS 12 -0.100 -1.524 -2.602 87 HB3 CYS 12 HB1 CYS 12 0.224 -2.025 -0.943 88 H ARG 13 H ARG 13 2.927 -2.187 -1.209 89 HA ARG 13 HA ARG 13 3.248 -1.777 1.657 90 HB2 ARG 13 HB2 ARG 13 4.346 -3.856 -0.248 91 HB3 ARG 13 HB1 ARG 13 4.681 -3.828 1.486 92 HG2 ARG 13 HG2 ARG 13 2.313 -4.047 1.996 93 HG3 ARG 13 HG1 ARG 13 1.898 -3.927 0.285 94 HD2 ARG 13 HD2 ARG 13 1.881 -6.273 0.962 95 HD3 ARG 13 HD1 ARG 13 3.216 -5.987 -0.151 96 HE ARG 13 HE ARG 13 4.709 -6.401 1.598 97 HH11 ARG 13 1HH2 ARG 13 1.459 -6.050 2.733 98 HH12 ARG 13 2HH2 ARG 13 1.812 -6.602 4.336 99 HH21 ARG 13 1HH1 ARG 13 5.179 -7.126 3.699 100 HH22 ARG 13 2HH1 ARG 13 3.918 -7.211 4.883
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