NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
579117 | 2mq5 | 25012 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H LEU 1 1.807 0.000 0.855 2 HA LEU 1 HA LEU 1 1.728 0.809 -1.857 3 HB2 LEU 1 2HB LEU 1 3.650 0.927 -0.131 4 HB3 LEU 1 3HB LEU 1 4.004 -0.720 -0.651 5 HG LEU 1 HG LEU 1 3.752 1.192 -2.855 6 HD11 LEU 1 1HD1 LEU 1 6.276 1.459 -1.312 7 HD12 LEU 1 2HD1 LEU 1 4.875 2.395 -0.791 8 HD13 LEU 1 3HD1 LEU 1 5.504 2.586 -2.427 9 HD21 LEU 1 3HD2 LEU 1 4.953 -1.286 -2.307 10 HD22 LEU 1 1HD2 LEU 1 6.271 -0.156 -2.618 11 HD23 LEU 1 2HD2 LEU 1 4.996 -0.374 -3.817 12 H TYR 2 H TYR 2 2.836 -0.560 -3.598 13 HA TYR 2 HA TYR 2 1.827 -3.325 -3.459 14 HB2 TYR 2 2HB TYR 2 1.859 -2.679 -6.154 15 HB3 TYR 2 3HB TYR 2 0.434 -2.758 -5.123 16 HD1 TYR 2 HD2 TYR 2 3.192 -0.313 -5.790 17 HD2 TYR 2 HD1 TYR 2 -0.985 -0.957 -5.295 18 HE1 TYR 2 HE2 TYR 2 2.782 2.079 -6.184 19 HE2 TYR 2 HE1 TYR 2 -1.406 1.433 -5.690 20 HH TYR 2 HH TYR 2 0.346 3.693 -5.340 21 H ARG 3 H ARG 3 3.460 -2.008 -6.232 22 HA ARG 3 HA ARG 3 6.110 -2.640 -5.591 23 HB2 ARG 3 2HB ARG 3 6.473 -4.782 -6.433 24 HB3 ARG 3 3HB ARG 3 4.953 -4.953 -5.567 25 HG2 ARG 3 2HG ARG 3 5.271 -4.603 -8.540 26 HG3 ARG 3 3HG ARG 3 4.868 -6.101 -7.699 27 HD2 ARG 3 2HD ARG 3 3.212 -3.581 -7.776 28 HD3 ARG 3 3HD ARG 3 2.868 -5.086 -8.628 29 HE ARG 3 HE ARG 3 3.090 -5.441 -5.797 30 HH11 ARG 3 1HH1 ARG 3 0.951 -4.484 -8.372 31 HH12 ARG 3 2HH1 ARG 3 -0.491 -4.884 -7.498 32 HH21 ARG 3 1HH2 ARG 3 1.199 -5.971 -4.637 33 HH22 ARG 3 2HH2 ARG 3 -0.348 -5.729 -5.374 34 H ARG 4 H ARG 4 4.093 -1.006 -7.265 35 HA ARG 4 HA ARG 4 5.698 -0.994 -9.737 36 HB2 ARG 4 2HB ARG 4 2.747 -0.597 -9.328 37 HB3 ARG 4 3HB ARG 4 3.560 0.059 -10.742 38 HG2 ARG 4 2HG ARG 4 3.554 -1.912 -11.754 39 HG3 ARG 4 3HG ARG 4 4.256 -2.709 -10.344 40 HD2 ARG 4 2HD ARG 4 2.012 -2.812 -9.324 41 HD3 ARG 4 3HD ARG 4 1.338 -2.086 -10.783 42 HE ARG 4 HE ARG 4 2.171 -4.817 -10.426 43 HH11 ARG 4 1HH1 ARG 4 1.573 -2.274 -12.727 44 HH12 ARG 4 2HH1 ARG 4 1.295 -3.358 -14.050 45 HH21 ARG 4 1HH2 ARG 4 1.806 -6.254 -12.159 46 HH22 ARG 4 2HH2 ARG 4 1.426 -5.622 -13.725 47 H ARG 5 H ARG 5 5.223 0.614 -6.963 48 HA ARG 5 HA ARG 5 4.669 3.227 -7.390 49 HB2 ARG 5 2HB ARG 5 6.153 3.787 -5.572 50 HB3 ARG 5 3HB ARG 5 5.382 2.246 -5.222 51 HG2 ARG 5 2HG ARG 5 7.669 1.462 -6.491 52 HG3 ARG 5 3HG ARG 5 8.200 2.893 -5.605 53 HD2 ARG 5 2HD ARG 5 7.019 1.861 -3.588 54 HD3 ARG 5 3HD ARG 5 6.969 0.373 -4.532 55 HE ARG 5 HE ARG 5 9.196 0.083 -4.113 56 HH11 ARG 5 1HH1 ARG 5 8.347 3.396 -3.462 57 HH12 ARG 5 2HH1 ARG 5 9.893 3.796 -2.789 58 HH21 ARG 5 1HH2 ARG 5 11.235 0.598 -3.229 59 HH22 ARG 5 2HH2 ARG 5 11.535 2.204 -2.658 60 H PHE 6 H PHE 6 7.559 1.523 -8.413 61 HA PHE 6 HA PHE 6 9.171 3.695 -9.096 62 HB2 PHE 6 2HB PHE 6 10.570 2.059 -9.707 63 HB3 PHE 6 3HB PHE 6 9.286 0.903 -9.370 64 HD1 PHE 6 HD2 PHE 6 7.548 0.589 -11.319 65 HD2 PHE 6 HD1 PHE 6 11.496 2.102 -11.807 66 HE1 PHE 6 HE2 PHE 6 7.491 -0.042 -13.696 67 HE2 PHE 6 HE1 PHE 6 11.446 1.474 -14.186 68 HZ PHE 6 HZ PHE 6 9.442 0.400 -15.133 69 H VAL 7 H VAL 7 6.790 1.932 -11.055 70 HA VAL 7 HA VAL 7 6.409 2.406 -13.383 71 HB VAL 7 HB VAL 7 4.629 4.315 -13.195 72 HG11 VAL 7 1HG1 VAL 7 4.353 1.760 -13.281 73 HG12 VAL 7 2HG1 VAL 7 4.086 1.875 -11.540 74 HG13 VAL 7 3HG1 VAL 7 3.015 2.723 -12.656 75 HG21 VAL 7 3HG2 VAL 7 4.340 3.673 -10.367 76 HG22 VAL 7 1HG2 VAL 7 5.793 4.607 -10.722 77 HG23 VAL 7 2HG2 VAL 7 4.210 5.225 -11.195 78 H VAL 8 H VAL 8 8.901 3.535 -12.955 79 HA VAL 8 HA VAL 8 9.087 6.299 -13.340 80 HB VAL 8 HB VAL 8 11.346 5.972 -13.968 81 HG11 VAL 8 1HG1 VAL 8 10.331 3.960 -11.998 82 HG12 VAL 8 2HG1 VAL 8 12.054 4.068 -12.366 83 HG13 VAL 8 3HG1 VAL 8 11.201 5.466 -11.708 84 HG21 VAL 8 3HG2 VAL 8 11.972 3.398 -14.381 85 HG22 VAL 8 1HG2 VAL 8 10.336 3.409 -15.038 86 HG23 VAL 8 2HG2 VAL 8 11.553 4.508 -15.686 87 H GLY 9 H GLY 9 7.263 4.559 -15.176 88 HA2 GLY 9 2HA GLY 9 8.275 5.364 -17.795 89 HA3 GLY 9 3HA GLY 9 6.878 4.342 -17.489 90 H ARG 10 H ARG 10 7.477 7.465 -15.982 91 HA ARG 10 HA ARG 10 4.983 8.436 -17.175 92 HB2 ARG 10 2HB ARG 10 6.461 9.891 -15.016 93 HB3 ARG 10 3HB ARG 10 4.735 9.848 -15.348 94 HG2 ARG 10 2HG ARG 10 6.334 7.547 -14.246 95 HG3 ARG 10 3HG ARG 10 5.354 8.657 -13.286 96 HD2 ARG 10 2HD ARG 10 3.710 7.735 -15.374 97 HD3 ARG 10 3HD ARG 10 4.554 6.322 -14.743 98 HE ARG 10 HE ARG 10 3.585 7.797 -12.578 99 HH11 ARG 10 1HH1 ARG 10 2.376 5.929 -15.255 100 HH12 ARG 10 2HH1 ARG 10 0.930 5.445 -14.433 101 HH21 ARG 10 1HH2 ARG 10 1.685 7.167 -11.485 102 HH22 ARG 10 2HH2 ARG 10 0.537 6.150 -12.289 Start of MODEL 2 1 H1 LEU 1 H LEU 1 1.237 -0.416 0.599 2 HA LEU 1 HA LEU 1 1.318 0.850 -2.059 3 HB2 LEU 1 2HB LEU 1 3.170 1.257 -0.302 4 HB3 LEU 1 3HB LEU 1 3.691 -0.378 -0.704 5 HG LEU 1 HG LEU 1 3.328 1.359 -3.033 6 HD11 LEU 1 1HD1 LEU 1 5.758 1.956 -1.425 7 HD12 LEU 1 2HD1 LEU 1 4.260 2.805 -1.047 8 HD13 LEU 1 3HD1 LEU 1 4.955 2.922 -2.663 9 HD21 LEU 1 3HD2 LEU 1 5.952 0.272 -2.653 10 HD22 LEU 1 1HD2 LEU 1 4.735 -0.143 -3.861 11 HD23 LEU 1 2HD2 LEU 1 4.737 -0.956 -2.296 12 H TYR 2 H TYR 2 2.600 -0.511 -3.683 13 HA TYR 2 HA TYR 2 1.851 -3.346 -3.392 14 HB2 TYR 2 2HB TYR 2 1.897 -2.869 -6.120 15 HB3 TYR 2 3HB TYR 2 0.457 -3.014 -5.119 16 HD1 TYR 2 HD1 TYR 2 2.999 -0.369 -5.872 17 HD2 TYR 2 HD2 TYR 2 -1.114 -1.369 -5.447 18 HE1 TYR 2 HE1 TYR 2 2.385 1.946 -6.432 19 HE2 TYR 2 HE2 TYR 2 -1.740 0.942 -6.008 20 HH TYR 2 HH TYR 2 0.725 3.371 -6.808 21 H ARG 3 H ARG 3 3.429 -2.056 -6.208 22 HA ARG 3 HA ARG 3 6.109 -2.387 -5.470 23 HB2 ARG 3 2HB ARG 3 6.697 -4.532 -6.196 24 HB3 ARG 3 3HB ARG 3 5.208 -4.790 -5.297 25 HG2 ARG 3 2HG ARG 3 5.424 -4.581 -8.293 26 HG3 ARG 3 3HG ARG 3 5.269 -6.079 -7.373 27 HD2 ARG 3 2HD ARG 3 3.151 -4.831 -6.395 28 HD3 ARG 3 3HD ARG 3 3.255 -3.961 -7.925 29 HE ARG 3 HE ARG 3 2.509 -5.839 -8.995 30 HH11 ARG 3 1HH1 ARG 3 3.616 -6.714 -5.813 31 HH12 ARG 3 2HH1 ARG 3 3.046 -8.346 -5.921 32 HH21 ARG 3 1HH2 ARG 3 1.754 -7.986 -9.150 33 HH22 ARG 3 2HH2 ARG 3 1.988 -9.069 -7.821 34 H ARG 4 H ARG 4 4.011 -1.044 -7.280 35 HA ARG 4 HA ARG 4 5.664 -1.052 -9.721 36 HB2 ARG 4 2HB ARG 4 2.680 -0.890 -9.392 37 HB3 ARG 4 3HB ARG 4 3.469 -0.258 -10.832 38 HG2 ARG 4 2HG ARG 4 3.657 -2.285 -11.710 39 HG3 ARG 4 3HG ARG 4 4.389 -2.924 -10.237 40 HD2 ARG 4 2HD ARG 4 2.447 -4.178 -10.438 41 HD3 ARG 4 3HD ARG 4 1.983 -2.909 -9.306 42 HE ARG 4 HE ARG 4 1.281 -1.896 -11.722 43 HH11 ARG 4 1HH1 ARG 4 0.605 -4.883 -10.066 44 HH12 ARG 4 2HH1 ARG 4 -0.948 -5.093 -10.806 45 HH21 ARG 4 1HH2 ARG 4 -0.761 -2.161 -12.702 46 HH22 ARG 4 2HH2 ARG 4 -1.723 -3.544 -12.306 47 H ARG 5 H ARG 5 4.967 0.682 -7.066 48 HA ARG 5 HA ARG 5 4.206 3.204 -7.682 49 HB2 ARG 5 2HB ARG 5 5.577 4.007 -5.866 50 HB3 ARG 5 3HB ARG 5 4.929 2.430 -5.434 51 HG2 ARG 5 2HG ARG 5 7.316 1.769 -6.586 52 HG3 ARG 5 3HG ARG 5 7.693 3.295 -5.783 53 HD2 ARG 5 2HD ARG 5 6.536 2.293 -3.735 54 HD3 ARG 5 3HD ARG 5 6.650 0.749 -4.579 55 HE ARG 5 HE ARG 5 8.896 0.703 -4.125 56 HH11 ARG 5 1HH1 ARG 5 7.670 3.909 -3.543 57 HH12 ARG 5 2HH1 ARG 5 9.134 4.477 -2.812 58 HH21 ARG 5 1HH2 ARG 5 10.829 1.440 -3.164 59 HH22 ARG 5 2HH2 ARG 5 10.930 3.072 -2.597 60 H PHE 6 H PHE 6 7.263 1.696 -8.511 61 HA PHE 6 HA PHE 6 8.705 3.952 -9.293 62 HB2 PHE 6 2HB PHE 6 10.258 2.409 -9.756 63 HB3 PHE 6 3HB PHE 6 9.067 1.169 -9.377 64 HD1 PHE 6 HD2 PHE 6 7.427 0.579 -11.346 65 HD2 PHE 6 HD1 PHE 6 11.246 2.397 -11.828 66 HE1 PHE 6 HE2 PHE 6 7.503 -0.205 -13.677 67 HE2 PHE 6 HE1 PHE 6 11.327 1.616 -14.160 68 HZ PHE 6 HZ PHE 6 9.455 0.312 -15.087 69 H VAL 7 H VAL 7 6.550 1.866 -11.194 70 HA VAL 7 HA VAL 7 6.205 2.153 -13.558 71 HB VAL 7 HB VAL 7 4.264 3.908 -13.546 72 HG11 VAL 7 1HG1 VAL 7 4.209 1.338 -13.468 73 HG12 VAL 7 2HG1 VAL 7 3.877 1.541 -11.747 74 HG13 VAL 7 3HG1 VAL 7 2.774 2.219 -12.945 75 HG21 VAL 7 3HG2 VAL 7 3.938 3.427 -10.691 76 HG22 VAL 7 1HG2 VAL 7 5.317 4.459 -11.068 77 HG23 VAL 7 2HG2 VAL 7 3.704 4.904 -11.624 78 H VAL 8 H VAL 8 8.577 3.521 -13.139 79 HA VAL 8 HA VAL 8 8.537 6.260 -13.704 80 HB VAL 8 HB VAL 8 10.836 6.093 -14.244 81 HG11 VAL 8 1HG1 VAL 8 9.932 4.129 -12.173 82 HG12 VAL 8 2HG1 VAL 8 11.651 4.367 -12.499 83 HG13 VAL 8 3HG1 VAL 8 10.658 5.722 -11.960 84 HG21 VAL 8 3HG2 VAL 8 11.699 3.566 -14.467 85 HG22 VAL 8 1HG2 VAL 8 10.089 3.384 -15.164 86 HG23 VAL 8 2HG2 VAL 8 11.223 4.545 -15.855 87 H GLY 9 H GLY 9 6.928 4.257 -15.467 88 HA2 GLY 9 2HA GLY 9 7.921 5.136 -18.092 89 HA3 GLY 9 3HA GLY 9 6.802 3.810 -17.815 90 H ARG 10 H ARG 10 6.646 7.084 -16.485 91 HA ARG 10 HA ARG 10 3.951 7.338 -17.575 92 HB2 ARG 10 2HB ARG 10 5.244 9.393 -15.820 93 HB3 ARG 10 3HB ARG 10 3.547 8.951 -15.949 94 HG2 ARG 10 2HG ARG 10 3.851 7.806 -14.070 95 HG3 ARG 10 3HG ARG 10 4.729 6.633 -15.054 96 HD2 ARG 10 2HD ARG 10 6.745 7.281 -14.264 97 HD3 ARG 10 3HD ARG 10 6.276 8.978 -14.163 98 HE ARG 10 HE ARG 10 4.964 7.381 -12.196 99 HH11 ARG 10 1HH1 ARG 10 7.951 8.996 -12.963 100 HH12 ARG 10 2HH1 ARG 10 8.417 9.201 -11.307 101 HH21 ARG 10 1HH2 ARG 10 5.566 7.646 -10.012 102 HH22 ARG 10 2HH2 ARG 10 7.060 8.432 -9.629 Start of MODEL 3 1 H1 LEU 1 H LEU 1 1.160 -0.253 0.559 2 HA LEU 1 HA LEU 1 1.162 0.697 -2.195 3 HB2 LEU 1 2HB LEU 1 2.912 1.244 -0.372 4 HB3 LEU 1 3HB LEU 1 3.553 -0.358 -0.732 5 HG LEU 1 HG LEU 1 3.170 1.325 -3.097 6 HD11 LEU 1 1HD1 LEU 1 4.654 3.005 -2.682 7 HD12 LEU 1 2HD1 LEU 1 5.502 2.101 -1.428 8 HD13 LEU 1 3HD1 LEU 1 3.939 2.839 -1.078 9 HD21 LEU 1 3HD2 LEU 1 4.696 -0.884 -2.275 10 HD22 LEU 1 1HD2 LEU 1 5.843 0.417 -2.598 11 HD23 LEU 1 2HD2 LEU 1 4.707 -0.088 -3.849 12 H TYR 2 H TYR 2 2.592 -0.601 -3.746 13 HA TYR 2 HA TYR 2 2.013 -3.474 -3.439 14 HB2 TYR 2 2HB TYR 2 2.141 -3.028 -6.171 15 HB3 TYR 2 3HB TYR 2 0.674 -3.258 -5.226 16 HD1 TYR 2 HD2 TYR 2 3.063 -0.460 -5.925 17 HD2 TYR 2 HD1 TYR 2 -0.989 -1.724 -5.632 18 HE1 TYR 2 HE2 TYR 2 2.319 1.802 -6.541 19 HE2 TYR 2 HE1 TYR 2 -1.744 0.534 -6.248 20 HH TYR 2 HH TYR 2 -0.677 2.949 -6.051 21 H ARG 3 H ARG 3 3.621 -2.118 -6.208 22 HA ARG 3 HA ARG 3 6.283 -2.274 -5.356 23 HB2 ARG 3 2HB ARG 3 7.031 -4.386 -5.994 24 HB3 ARG 3 3HB ARG 3 5.494 -4.734 -5.214 25 HG2 ARG 3 2HG ARG 3 5.982 -4.553 -8.180 26 HG3 ARG 3 3HG ARG 3 5.742 -6.030 -7.244 27 HD2 ARG 3 2HD ARG 3 3.740 -3.809 -7.639 28 HD3 ARG 3 3HD ARG 3 3.692 -5.405 -8.386 29 HE ARG 3 HE ARG 3 3.742 -5.511 -5.524 30 HH11 ARG 3 1HH1 ARG 3 1.697 -5.109 -8.312 31 HH12 ARG 3 2HH1 ARG 3 0.269 -5.670 -7.508 32 HH21 ARG 3 1HH2 ARG 3 1.869 -6.252 -4.454 33 HH22 ARG 3 2HH2 ARG 3 0.368 -6.319 -5.313 34 H ARG 4 H ARG 4 4.166 -1.105 -7.279 35 HA ARG 4 HA ARG 4 5.928 -1.013 -9.640 36 HB2 ARG 4 2HB ARG 4 2.929 -1.069 -9.449 37 HB3 ARG 4 3HB ARG 4 3.733 -0.392 -10.859 38 HG2 ARG 4 2HG ARG 4 4.111 -2.406 -11.704 39 HG3 ARG 4 3HG ARG 4 4.820 -2.977 -10.191 40 HD2 ARG 4 2HD ARG 4 2.988 -4.374 -10.465 41 HD3 ARG 4 3HD ARG 4 2.376 -3.131 -9.374 42 HE ARG 4 HE ARG 4 1.700 -2.181 -11.807 43 HH11 ARG 4 1HH1 ARG 4 1.238 -5.258 -10.245 44 HH12 ARG 4 2HH1 ARG 4 -0.240 -5.606 -11.079 45 HH21 ARG 4 1HH2 ARG 4 -0.245 -2.628 -12.911 46 HH22 ARG 4 2HH2 ARG 4 -1.083 -4.110 -12.595 47 H ARG 5 H ARG 5 5.008 0.691 -7.043 48 HA ARG 5 HA ARG 5 4.084 3.143 -7.715 49 HB2 ARG 5 2HB ARG 5 5.328 4.064 -5.864 50 HB3 ARG 5 3HB ARG 5 4.785 2.447 -5.435 51 HG2 ARG 5 2HG ARG 5 7.252 1.955 -6.497 52 HG3 ARG 5 3HG ARG 5 7.488 3.514 -5.703 53 HD2 ARG 5 2HD ARG 5 6.344 2.453 -3.680 54 HD3 ARG 5 3HD ARG 5 6.592 0.912 -4.499 55 HE ARG 5 HE ARG 5 8.560 2.468 -3.137 56 HH11 ARG 5 1HH1 ARG 5 8.063 0.232 -5.759 57 HH12 ARG 5 2HH1 ARG 5 9.690 -0.363 -5.733 58 HH21 ARG 5 1HH2 ARG 5 10.705 1.693 -3.093 59 HH22 ARG 5 2HH2 ARG 5 11.192 0.468 -4.215 60 H PHE 6 H PHE 6 7.271 1.861 -8.421 61 HA PHE 6 HA PHE 6 8.569 4.209 -9.183 62 HB2 PHE 6 2HB PHE 6 10.246 2.782 -9.574 63 HB3 PHE 6 3HB PHE 6 9.138 1.460 -9.220 64 HD1 PHE 6 HD1 PHE 6 7.615 0.732 -11.236 65 HD2 PHE 6 HD2 PHE 6 11.303 2.822 -11.611 66 HE1 PHE 6 HE1 PHE 6 7.828 -0.068 -13.553 67 HE2 PHE 6 HE2 PHE 6 11.522 2.027 -13.929 68 HZ PHE 6 HZ PHE 6 9.783 0.581 -14.903 69 H VAL 7 H VAL 7 6.640 1.950 -11.129 70 HA VAL 7 HA VAL 7 6.356 2.188 -13.506 71 HB VAL 7 HB VAL 7 4.291 3.794 -13.581 72 HG11 VAL 7 1HG1 VAL 7 4.424 1.228 -13.473 73 HG12 VAL 7 2HG1 VAL 7 4.018 1.423 -11.767 74 HG13 VAL 7 3HG1 VAL 7 2.911 2.005 -13.010 75 HG21 VAL 7 3HG2 VAL 7 3.905 3.317 -10.732 76 HG22 VAL 7 1HG2 VAL 7 5.215 4.446 -11.076 77 HG23 VAL 7 2HG2 VAL 7 3.593 4.764 -11.690 78 H VAL 8 H VAL 8 8.604 3.732 -13.026 79 HA VAL 8 HA VAL 8 8.381 6.456 -13.625 80 HB VAL 8 HB VAL 8 10.704 6.454 -14.085 81 HG11 VAL 8 1HG1 VAL 8 9.877 4.449 -12.022 82 HG12 VAL 8 2HG1 VAL 8 11.583 4.809 -12.293 83 HG13 VAL 8 3HG1 VAL 8 10.476 6.093 -11.804 84 HG21 VAL 8 3HG2 VAL 8 11.754 3.992 -14.247 85 HG22 VAL 8 1HG2 VAL 8 10.189 3.693 -15.002 86 HG23 VAL 8 2HG2 VAL 8 11.264 4.925 -15.661 87 H GLY 9 H GLY 9 6.986 4.321 -15.416 88 HA2 GLY 9 2HA GLY 9 8.000 5.247 -18.017 89 HA3 GLY 9 3HA GLY 9 6.974 3.844 -17.761 90 H ARG 10 H ARG 10 6.530 7.110 -16.477 91 HA ARG 10 HA ARG 10 3.863 7.151 -17.659 92 HB2 ARG 10 2HB ARG 10 4.940 9.314 -15.887 93 HB3 ARG 10 3HB ARG 10 3.285 8.746 -16.067 94 HG2 ARG 10 2HG ARG 10 3.609 7.645 -14.165 95 HG3 ARG 10 3HG ARG 10 4.604 6.531 -15.105 96 HD2 ARG 10 2HD ARG 10 6.539 7.335 -14.256 97 HD3 ARG 10 3HD ARG 10 5.942 8.993 -14.191 98 HE ARG 10 HE ARG 10 4.678 7.335 -12.250 99 HH11 ARG 10 1HH1 ARG 10 7.590 9.114 -12.937 100 HH12 ARG 10 2HH1 ARG 10 7.990 9.359 -11.269 101 HH21 ARG 10 1HH2 ARG 10 5.193 7.650 -10.050 102 HH22 ARG 10 2HH2 ARG 10 6.626 8.525 -9.628 Start of MODEL 4 1 H1 LEU 1 H LEU 1 0.888 -0.366 0.317 2 HA LEU 1 HA LEU 1 1.899 1.103 -1.761 3 HB2 LEU 1 2HB LEU 1 3.861 1.248 -0.084 4 HB3 LEU 1 3HB LEU 1 4.190 -0.414 -0.568 5 HG LEU 1 HG LEU 1 3.904 1.443 -2.815 6 HD11 LEU 1 1HD1 LEU 1 5.086 2.685 -0.807 7 HD12 LEU 1 2HD1 LEU 1 5.676 2.832 -2.462 8 HD13 LEU 1 3HD1 LEU 1 6.466 1.725 -1.339 9 HD21 LEU 1 3HD2 LEU 1 6.412 0.125 -2.690 10 HD22 LEU 1 1HD2 LEU 1 5.037 -0.224 -3.738 11 HD23 LEU 1 2HD2 LEU 1 5.172 -1.016 -2.167 12 H TYR 2 H TYR 2 2.957 -0.316 -3.493 13 HA TYR 2 HA TYR 2 1.931 -3.069 -3.265 14 HB2 TYR 2 2HB TYR 2 1.900 -2.496 -5.972 15 HB3 TYR 2 3HB TYR 2 0.500 -2.522 -4.905 16 HD1 TYR 2 HD1 TYR 2 3.281 -0.136 -5.679 17 HD2 TYR 2 HD2 TYR 2 -0.898 -0.711 -5.126 18 HE1 TYR 2 HE1 TYR 2 2.898 2.251 -6.136 19 HE2 TYR 2 HE2 TYR 2 -1.292 1.673 -5.583 20 HH TYR 2 HH TYR 2 1.336 3.815 -6.568 21 H ARG 3 H ARG 3 3.502 -1.843 -6.112 22 HA ARG 3 HA ARG 3 6.164 -2.480 -5.514 23 HB2 ARG 3 2HB ARG 3 6.487 -4.639 -6.364 24 HB3 ARG 3 3HB ARG 3 5.029 -4.780 -5.391 25 HG2 ARG 3 2HG ARG 3 5.091 -4.444 -8.382 26 HG3 ARG 3 3HG ARG 3 4.858 -5.970 -7.528 27 HD2 ARG 3 2HD ARG 3 2.933 -4.566 -6.351 28 HD3 ARG 3 3HD ARG 3 3.008 -3.674 -7.870 29 HE ARG 3 HE ARG 3 2.881 -6.270 -8.653 30 HH11 ARG 3 1HH1 ARG 3 0.950 -4.278 -6.549 31 HH12 ARG 3 2HH1 ARG 3 -0.521 -5.131 -6.877 32 HH21 ARG 3 1HH2 ARG 3 0.949 -7.402 -9.092 33 HH22 ARG 3 2HH2 ARG 3 -0.521 -6.908 -8.322 34 H ARG 4 H ARG 4 4.144 -0.844 -7.166 35 HA ARG 4 HA ARG 4 5.683 -0.911 -9.679 36 HB2 ARG 4 2HB ARG 4 2.747 -0.464 -9.209 37 HB3 ARG 4 3HB ARG 4 3.536 0.148 -10.656 38 HG2 ARG 4 2HG ARG 4 3.478 -1.846 -11.621 39 HG3 ARG 4 3HG ARG 4 4.204 -2.620 -10.211 40 HD2 ARG 4 2HD ARG 4 1.915 -2.526 -9.143 41 HD3 ARG 4 3HD ARG 4 1.293 -2.056 -10.724 42 HE ARG 4 HE ARG 4 2.105 -4.677 -9.896 43 HH11 ARG 4 1HH1 ARG 4 1.740 -2.544 -12.624 44 HH12 ARG 4 2HH1 ARG 4 1.576 -3.830 -13.773 45 HH21 ARG 4 1HH2 ARG 4 1.890 -6.378 -11.400 46 HH22 ARG 4 2HH2 ARG 4 1.660 -6.010 -13.076 47 H ARG 5 H ARG 5 5.291 0.761 -6.928 48 HA ARG 5 HA ARG 5 4.759 3.371 -7.393 49 HB2 ARG 5 2HB ARG 5 6.256 3.947 -5.611 50 HB3 ARG 5 3HB ARG 5 5.541 2.386 -5.231 51 HG2 ARG 5 2HG ARG 5 7.783 1.605 -6.522 52 HG3 ARG 5 3HG ARG 5 8.333 3.106 -5.775 53 HD2 ARG 5 2HD ARG 5 6.823 1.707 -3.839 54 HD3 ARG 5 3HD ARG 5 7.924 0.546 -4.579 55 HE ARG 5 HE ARG 5 9.144 3.041 -3.790 56 HH11 ARG 5 1HH1 ARG 5 8.316 -0.207 -2.851 57 HH12 ARG 5 2HH1 ARG 5 9.523 -0.295 -1.611 58 HH21 ARG 5 1HH2 ARG 5 10.736 2.938 -2.160 59 HH22 ARG 5 2HH2 ARG 5 10.898 1.494 -1.218 60 H PHE 6 H PHE 6 7.607 1.615 -8.450 61 HA PHE 6 HA PHE 6 9.222 3.753 -9.222 62 HB2 PHE 6 2HB PHE 6 10.588 2.089 -9.832 63 HB3 PHE 6 3HB PHE 6 9.300 0.954 -9.441 64 HD1 PHE 6 HD1 PHE 6 7.514 0.618 -11.339 65 HD2 PHE 6 HD2 PHE 6 11.462 2.082 -11.955 66 HE1 PHE 6 HE1 PHE 6 7.393 -0.059 -13.702 67 HE2 PHE 6 HE2 PHE 6 11.348 1.409 -14.318 68 HZ PHE 6 HZ PHE 6 9.311 0.337 -15.195 69 H VAL 7 H VAL 7 6.776 1.973 -11.084 70 HA VAL 7 HA VAL 7 6.340 2.403 -13.411 71 HB VAL 7 HB VAL 7 4.583 4.331 -13.219 72 HG11 VAL 7 1HG1 VAL 7 4.280 1.778 -13.243 73 HG12 VAL 7 2HG1 VAL 7 4.062 1.931 -11.499 74 HG13 VAL 7 3HG1 VAL 7 2.968 2.766 -12.602 75 HG21 VAL 7 3HG2 VAL 7 4.359 3.753 -10.371 76 HG22 VAL 7 1HG2 VAL 7 5.811 4.665 -10.783 77 HG23 VAL 7 2HG2 VAL 7 4.223 5.288 -11.230 78 H VAL 8 H VAL 8 8.852 3.517 -13.068 79 HA VAL 8 HA VAL 8 9.052 6.271 -13.515 80 HB VAL 8 HB VAL 8 11.292 5.910 -14.191 81 HG11 VAL 8 1HG1 VAL 8 10.309 3.948 -12.156 82 HG12 VAL 8 2HG1 VAL 8 12.023 4.032 -12.569 83 HG13 VAL 8 3HG1 VAL 8 11.200 5.451 -11.919 84 HG21 VAL 8 3HG2 VAL 8 11.890 3.326 -14.569 85 HG22 VAL 8 1HG2 VAL 8 10.235 3.333 -15.180 86 HG23 VAL 8 2HG2 VAL 8 11.441 4.410 -15.885 87 H GLY 9 H GLY 9 7.169 4.510 -15.269 88 HA2 GLY 9 2HA GLY 9 8.123 5.250 -17.929 89 HA3 GLY 9 3HA GLY 9 6.725 4.249 -17.567 90 H ARG 10 H ARG 10 7.390 7.397 -16.141 91 HA ARG 10 HA ARG 10 4.876 8.367 -17.295 92 HB2 ARG 10 2HB ARG 10 6.419 9.851 -15.201 93 HB3 ARG 10 3HB ARG 10 4.685 9.818 -15.491 94 HG2 ARG 10 2HG ARG 10 6.289 7.525 -14.380 95 HG3 ARG 10 3HG ARG 10 5.341 8.663 -13.420 96 HD2 ARG 10 2HD ARG 10 3.624 7.733 -15.431 97 HD3 ARG 10 3HD ARG 10 4.487 6.313 -14.841 98 HE ARG 10 HE ARG 10 3.609 7.789 -12.634 99 HH11 ARG 10 1HH1 ARG 10 2.299 5.915 -15.259 100 HH12 ARG 10 2HH1 ARG 10 0.888 5.427 -14.380 101 HH21 ARG 10 1HH2 ARG 10 1.756 7.154 -11.466 102 HH22 ARG 10 2HH2 ARG 10 0.580 6.134 -12.222 Start of MODEL 5 1 H1 LEU 1 H LEU 1 2.327 -0.195 0.641 2 HA LEU 1 HA LEU 1 1.325 1.103 -1.805 3 HB2 LEU 1 2HB LEU 1 3.514 1.341 -2.565 4 HB3 LEU 1 3HB LEU 1 3.598 1.748 -0.852 5 HG LEU 1 HG LEU 1 4.154 -1.028 -1.129 6 HD11 LEU 1 1HD1 LEU 1 5.540 0.751 -3.106 7 HD12 LEU 1 2HD1 LEU 1 4.808 -0.833 -3.362 8 HD13 LEU 1 3HD1 LEU 1 6.315 -0.694 -2.456 9 HD21 LEU 1 3HD2 LEU 1 4.925 0.411 0.677 10 HD22 LEU 1 1HD2 LEU 1 5.915 1.329 -0.458 11 HD23 LEU 1 2HD2 LEU 1 6.289 -0.363 -0.130 12 H TYR 2 H TYR 2 2.804 -0.244 -3.684 13 HA TYR 2 HA TYR 2 1.852 -3.021 -3.421 14 HB2 TYR 2 2HB TYR 2 1.931 -2.505 -6.145 15 HB3 TYR 2 3HB TYR 2 0.486 -2.568 -5.141 16 HD1 TYR 2 HD1 TYR 2 3.203 -0.097 -5.874 17 HD2 TYR 2 HD2 TYR 2 -0.966 -0.808 -5.416 18 HE1 TYR 2 HE1 TYR 2 2.750 2.265 -6.391 19 HE2 TYR 2 HE2 TYR 2 -1.431 1.551 -5.933 20 HH TYR 2 HH TYR 2 -0.451 3.634 -6.068 21 H ARG 3 H ARG 3 3.525 -1.801 -6.218 22 HA ARG 3 HA ARG 3 6.169 -2.363 -5.491 23 HB2 ARG 3 2HB ARG 3 6.584 -4.532 -6.240 24 HB3 ARG 3 3HB ARG 3 5.051 -4.691 -5.392 25 HG2 ARG 3 2HG ARG 3 5.412 -4.457 -8.373 26 HG3 ARG 3 3HG ARG 3 5.027 -5.928 -7.478 27 HD2 ARG 3 2HD ARG 3 3.039 -4.396 -6.596 28 HD3 ARG 3 3HD ARG 3 3.316 -3.598 -8.144 29 HE ARG 3 HE ARG 3 2.343 -5.384 -9.175 30 HH11 ARG 3 1HH1 ARG 3 3.365 -6.357 -5.992 31 HH12 ARG 3 2HH1 ARG 3 2.642 -7.928 -6.098 32 HH21 ARG 3 1HH2 ARG 3 1.387 -7.450 -9.327 33 HH22 ARG 3 2HH2 ARG 3 1.518 -8.549 -7.996 34 H ARG 4 H ARG 4 4.161 -0.838 -7.282 35 HA ARG 4 HA ARG 4 5.832 -0.895 -9.709 36 HB2 ARG 4 2HB ARG 4 2.861 -0.557 -9.400 37 HB3 ARG 4 3HB ARG 4 3.699 0.057 -10.819 38 HG2 ARG 4 2HG ARG 4 3.771 -1.958 -11.740 39 HG3 ARG 4 3HG ARG 4 4.451 -2.673 -10.277 40 HD2 ARG 4 2HD ARG 4 2.438 -3.801 -10.521 41 HD3 ARG 4 3HD ARG 4 2.041 -2.531 -9.364 42 HE ARG 4 HE ARG 4 1.527 -1.692 -12.029 43 HH11 ARG 4 1HH1 ARG 4 0.272 -3.673 -9.455 44 HH12 ARG 4 2HH1 ARG 4 -1.374 -3.535 -9.976 45 HH21 ARG 4 1HH2 ARG 4 -0.637 -1.502 -12.724 46 HH22 ARG 4 2HH2 ARG 4 -1.890 -2.301 -11.836 47 H ARG 5 H ARG 5 5.237 0.818 -7.022 48 HA ARG 5 HA ARG 5 4.628 3.394 -7.574 49 HB2 ARG 5 2HB ARG 5 6.012 4.068 -5.734 50 HB3 ARG 5 3HB ARG 5 5.334 2.491 -5.352 51 HG2 ARG 5 2HG ARG 5 7.669 1.770 -6.514 52 HG3 ARG 5 3HG ARG 5 8.122 3.301 -5.761 53 HD2 ARG 5 2HD ARG 5 6.943 2.354 -3.668 54 HD3 ARG 5 3HD ARG 5 7.092 0.796 -4.480 55 HE ARG 5 HE ARG 5 9.605 1.792 -4.585 56 HH11 ARG 5 1HH1 ARG 5 7.317 1.333 -2.002 57 HH12 ARG 5 2HH1 ARG 5 8.533 1.084 -0.793 58 HH21 ARG 5 1HH2 ARG 5 11.216 1.465 -3.003 59 HH22 ARG 5 2HH2 ARG 5 10.751 1.160 -1.364 60 H PHE 6 H PHE 6 7.591 1.731 -8.447 61 HA PHE 6 HA PHE 6 9.160 3.915 -9.186 62 HB2 PHE 6 2HB PHE 6 10.618 2.294 -9.688 63 HB3 PHE 6 3HB PHE 6 9.357 1.117 -9.335 64 HD1 PHE 6 HD2 PHE 6 7.684 0.670 -11.313 65 HD2 PHE 6 HD1 PHE 6 11.599 2.277 -11.763 66 HE1 PHE 6 HE2 PHE 6 7.710 -0.061 -13.662 67 HE2 PHE 6 HE1 PHE 6 11.631 1.549 -14.113 68 HZ PHE 6 HZ PHE 6 9.685 0.378 -15.065 69 H VAL 7 H VAL 7 6.882 2.001 -11.126 70 HA VAL 7 HA VAL 7 6.550 2.363 -13.481 71 HB VAL 7 HB VAL 7 4.712 4.225 -13.422 72 HG11 VAL 7 1HG1 VAL 7 4.509 1.662 -13.403 73 HG12 VAL 7 2HG1 VAL 7 4.197 1.842 -11.675 74 HG13 VAL 7 3HG1 VAL 7 3.129 2.611 -12.851 75 HG21 VAL 7 3HG2 VAL 7 4.365 3.698 -10.576 76 HG22 VAL 7 1HG2 VAL 7 5.801 4.658 -10.935 77 HG23 VAL 7 2HG2 VAL 7 4.215 5.208 -11.475 78 H VAL 8 H VAL 8 8.996 3.583 -13.039 79 HA VAL 8 HA VAL 8 9.113 6.333 -13.538 80 HB VAL 8 HB VAL 8 11.397 6.046 -14.094 81 HG11 VAL 8 1HG1 VAL 8 10.388 4.090 -12.065 82 HG12 VAL 8 2HG1 VAL 8 12.116 4.234 -12.394 83 HG13 VAL 8 3HG1 VAL 8 11.207 5.632 -11.819 84 HG21 VAL 8 3HG2 VAL 8 12.109 3.478 -14.380 85 HG22 VAL 8 1HG2 VAL 8 10.490 3.409 -15.075 86 HG23 VAL 8 2HG2 VAL 8 11.690 4.517 -15.742 87 H GLY 9 H GLY 9 7.390 4.463 -15.343 88 HA2 GLY 9 2HA GLY 9 8.448 5.184 -17.968 89 HA3 GLY 9 3HA GLY 9 7.073 4.136 -17.654 90 H ARG 10 H ARG 10 7.544 7.337 -16.269 91 HA ARG 10 HA ARG 10 5.057 8.183 -17.569 92 HB2 ARG 10 2HB ARG 10 6.433 9.770 -15.435 93 HB3 ARG 10 3HB ARG 10 4.718 9.663 -15.810 94 HG2 ARG 10 2HG ARG 10 6.351 7.459 -14.569 95 HG3 ARG 10 3HG ARG 10 5.313 8.578 -13.684 96 HD2 ARG 10 2HD ARG 10 3.759 7.517 -15.778 97 HD3 ARG 10 3HD ARG 10 4.620 6.160 -15.053 98 HE ARG 10 HE ARG 10 3.578 7.648 -12.963 99 HH11 ARG 10 1HH1 ARG 10 2.376 5.850 -15.691 100 HH12 ARG 10 2HH1 ARG 10 0.887 5.420 -14.918 101 HH21 ARG 10 1HH2 ARG 10 1.621 7.088 -11.934 102 HH22 ARG 10 2HH2 ARG 10 0.458 6.125 -12.781 Start of MODEL 6 1 H1 LEU 1 H LEU 1 2.741 -0.036 0.673 2 HA LEU 1 HA LEU 1 1.588 0.786 -1.807 3 HB2 LEU 1 2HB LEU 1 3.768 1.051 -2.580 4 HB3 LEU 1 3HB LEU 1 3.871 1.404 -0.856 5 HG LEU 1 HG LEU 1 4.425 -1.361 -1.229 6 HD11 LEU 1 1HD1 LEU 1 5.056 -1.089 -3.461 7 HD12 LEU 1 2HD1 LEU 1 6.571 -0.984 -2.567 8 HD13 LEU 1 3HD1 LEU 1 5.793 0.484 -3.158 9 HD21 LEU 1 3HD2 LEU 1 5.739 1.067 -0.164 10 HD22 LEU 1 1HD2 LEU 1 6.782 -0.304 -0.546 11 HD23 LEU 1 2HD2 LEU 1 5.453 -0.499 0.597 12 H TYR 2 H TYR 2 3.051 -0.508 -3.736 13 HA TYR 2 HA TYR 2 2.104 -3.292 -3.540 14 HB2 TYR 2 2HB TYR 2 2.153 -2.707 -6.249 15 HB3 TYR 2 3HB TYR 2 0.719 -2.790 -5.232 16 HD1 TYR 2 HD2 TYR 2 3.436 -0.308 -5.926 17 HD2 TYR 2 HD1 TYR 2 -0.733 -1.022 -5.458 18 HE1 TYR 2 HE2 TYR 2 2.984 2.067 -6.380 19 HE2 TYR 2 HE1 TYR 2 -1.196 1.351 -5.911 20 HH TYR 2 HH TYR 2 1.308 3.540 -6.981 21 H ARG 3 H ARG 3 3.743 -2.002 -6.324 22 HA ARG 3 HA ARG 3 6.397 -2.574 -5.639 23 HB2 ARG 3 2HB ARG 3 6.808 -4.725 -6.432 24 HB3 ARG 3 3HB ARG 3 5.275 -4.907 -5.589 25 HG2 ARG 3 2HG ARG 3 5.642 -4.606 -8.563 26 HG3 ARG 3 3HG ARG 3 5.244 -6.093 -7.700 27 HD2 ARG 3 2HD ARG 3 3.553 -3.601 -7.853 28 HD3 ARG 3 3HD ARG 3 3.249 -5.124 -8.687 29 HE ARG 3 HE ARG 3 3.421 -5.429 -5.846 30 HH11 ARG 3 1HH1 ARG 3 1.319 -4.548 -8.477 31 HH12 ARG 3 2HH1 ARG 3 -0.134 -4.956 -7.625 32 HH21 ARG 3 1HH2 ARG 3 1.516 -5.970 -4.714 33 HH22 ARG 3 2HH2 ARG 3 -0.020 -5.764 -5.484 34 H ARG 4 H ARG 4 4.357 -1.023 -7.377 35 HA ARG 4 HA ARG 4 6.007 -1.010 -9.819 36 HB2 ARG 4 2HB ARG 4 3.036 -0.703 -9.476 37 HB3 ARG 4 3HB ARG 4 3.857 -0.049 -10.887 38 HG2 ARG 4 2HG ARG 4 3.937 -2.040 -11.857 39 HG3 ARG 4 3HG ARG 4 4.634 -2.784 -10.416 40 HD2 ARG 4 2HD ARG 4 2.630 -3.923 -10.664 41 HD3 ARG 4 3HD ARG 4 2.229 -2.678 -9.482 42 HE ARG 4 HE ARG 4 1.595 -1.543 -11.870 43 HH11 ARG 4 1HH1 ARG 4 0.732 -4.520 -10.284 44 HH12 ARG 4 2HH1 ARG 4 -0.834 -4.610 -11.021 45 HH21 ARG 4 1HH2 ARG 4 -0.463 -1.651 -12.846 46 HH22 ARG 4 2HH2 ARG 4 -1.512 -2.978 -12.479 47 H ARG 5 H ARG 5 5.466 0.630 -7.090 48 HA ARG 5 HA ARG 5 4.816 3.213 -7.555 49 HB2 ARG 5 2HB ARG 5 6.256 3.854 -5.743 50 HB3 ARG 5 3HB ARG 5 5.593 2.266 -5.380 51 HG2 ARG 5 2HG ARG 5 7.902 1.596 -6.638 52 HG3 ARG 5 3HG ARG 5 8.364 3.097 -5.833 53 HD2 ARG 5 2HD ARG 5 7.183 0.635 -4.556 54 HD3 ARG 5 3HD ARG 5 8.827 1.242 -4.371 55 HE ARG 5 HE ARG 5 6.802 3.116 -3.563 56 HH11 ARG 5 1HH1 ARG 5 8.786 0.434 -2.569 57 HH12 ARG 5 2HH1 ARG 5 8.711 0.833 -0.884 58 HH21 ARG 5 1HH2 ARG 5 6.695 3.652 -1.349 59 HH22 ARG 5 2HH2 ARG 5 7.520 2.664 -0.192 60 H PHE 6 H PHE 6 7.767 1.605 -8.560 61 HA PHE 6 HA PHE 6 9.291 3.824 -9.288 62 HB2 PHE 6 2HB PHE 6 10.749 2.232 -9.877 63 HB3 PHE 6 3HB PHE 6 9.511 1.034 -9.518 64 HD1 PHE 6 HD1 PHE 6 7.782 0.621 -11.455 65 HD2 PHE 6 HD2 PHE 6 11.667 2.279 -11.981 66 HE1 PHE 6 HE1 PHE 6 7.744 -0.049 -13.822 67 HE2 PHE 6 HE2 PHE 6 11.634 1.613 -14.349 68 HZ PHE 6 HZ PHE 6 9.671 0.449 -15.273 69 H VAL 7 H VAL 7 6.974 1.937 -11.209 70 HA VAL 7 HA VAL 7 6.566 2.358 -13.542 71 HB VAL 7 HB VAL 7 4.713 4.197 -13.379 72 HG11 VAL 7 1HG1 VAL 7 4.536 1.633 -13.421 73 HG12 VAL 7 2HG1 VAL 7 4.274 1.765 -11.681 74 HG13 VAL 7 3HG1 VAL 7 3.164 2.552 -12.803 75 HG21 VAL 7 3HG2 VAL 7 4.459 3.593 -10.539 76 HG22 VAL 7 1HG2 VAL 7 5.873 4.577 -10.916 77 HG23 VAL 7 2HG2 VAL 7 4.266 5.124 -11.393 78 H VAL 8 H VAL 8 9.013 3.591 -13.143 79 HA VAL 8 HA VAL 8 9.088 6.354 -13.573 80 HB VAL 8 HB VAL 8 11.356 6.106 -14.205 81 HG11 VAL 8 1HG1 VAL 8 10.428 4.087 -12.199 82 HG12 VAL 8 2HG1 VAL 8 12.144 4.257 -12.576 83 HG13 VAL 8 3HG1 VAL 8 11.240 5.630 -11.936 84 HG21 VAL 8 3HG2 VAL 8 12.083 3.553 -14.579 85 HG22 VAL 8 1HG2 VAL 8 10.445 3.488 -15.230 86 HG23 VAL 8 2HG2 VAL 8 11.615 4.624 -15.900 87 H GLY 9 H GLY 9 7.328 4.513 -15.373 88 HA2 GLY 9 2HA GLY 9 8.299 5.314 -18.009 89 HA3 GLY 9 3HA GLY 9 6.945 4.243 -17.681 90 H ARG 10 H ARG 10 7.426 7.412 -16.227 91 HA ARG 10 HA ARG 10 4.891 8.265 -17.427 92 HB2 ARG 10 2HB ARG 10 6.317 9.812 -15.297 93 HB3 ARG 10 3HB ARG 10 4.593 9.694 -15.622 94 HG2 ARG 10 2HG ARG 10 6.286 7.477 -14.489 95 HG3 ARG 10 3HG ARG 10 5.265 8.562 -13.543 96 HD2 ARG 10 2HD ARG 10 3.637 7.558 -15.594 97 HD3 ARG 10 3HD ARG 10 4.554 6.180 -14.986 98 HE ARG 10 HE ARG 10 3.636 7.465 -12.748 99 HH11 ARG 10 1HH1 ARG 10 2.188 6.065 -15.587 100 HH12 ARG 10 2HH1 ARG 10 0.715 5.634 -14.783 101 HH21 ARG 10 1HH2 ARG 10 1.702 6.904 -11.678 102 HH22 ARG 10 2HH2 ARG 10 0.439 6.113 -12.559 Start of MODEL 7 1 H1 LEU 1 H LEU 1 1.071 -0.313 0.470 2 HA LEU 1 HA LEU 1 1.265 1.015 -2.153 3 HB2 LEU 1 2HB LEU 1 3.092 1.468 -0.380 4 HB3 LEU 1 3HB LEU 1 3.631 -0.170 -0.749 5 HG LEU 1 HG LEU 1 3.281 1.520 -3.113 6 HD11 LEU 1 1HD1 LEU 1 4.071 3.154 -1.368 7 HD12 LEU 1 2HD1 LEU 1 5.123 2.965 -2.770 8 HD13 LEU 1 3HD1 LEU 1 5.541 2.187 -1.244 9 HD21 LEU 1 3HD2 LEU 1 4.753 -0.744 -2.268 10 HD22 LEU 1 1HD2 LEU 1 5.912 0.502 -2.734 11 HD23 LEU 1 2HD2 LEU 1 4.676 -0.025 -3.877 12 H TYR 2 H TYR 2 2.584 -0.370 -3.731 13 HA TYR 2 HA TYR 2 1.841 -3.203 -3.397 14 HB2 TYR 2 2HB TYR 2 1.934 -2.787 -6.131 15 HB3 TYR 2 3HB TYR 2 0.475 -2.902 -5.153 16 HD1 TYR 2 HD2 TYR 2 3.042 -0.279 -5.900 17 HD2 TYR 2 HD1 TYR 2 -1.084 -1.267 -5.577 18 HE1 TYR 2 HE2 TYR 2 2.447 2.023 -6.528 19 HE2 TYR 2 HE1 TYR 2 -1.690 1.032 -6.206 20 HH TYR 2 HH TYR 2 -0.366 3.407 -5.997 21 H ARG 3 H ARG 3 3.465 -1.972 -6.212 22 HA ARG 3 HA ARG 3 6.132 -2.281 -5.412 23 HB2 ARG 3 2HB ARG 3 6.737 -4.436 -6.085 24 HB3 ARG 3 3HB ARG 3 5.223 -4.684 -5.226 25 HG2 ARG 3 2HG ARG 3 5.534 -4.522 -8.217 26 HG3 ARG 3 3HG ARG 3 5.334 -6.002 -7.276 27 HD2 ARG 3 2HD ARG 3 3.209 -4.595 -6.405 28 HD3 ARG 3 3HD ARG 3 3.356 -3.949 -8.039 29 HE ARG 3 HE ARG 3 2.513 -5.917 -8.812 30 HH11 ARG 3 1HH1 ARG 3 3.894 -6.475 -5.665 31 HH12 ARG 3 2HH1 ARG 3 3.388 -8.130 -5.593 32 HH21 ARG 3 1HH2 ARG 3 1.842 -8.095 -8.729 33 HH22 ARG 3 2HH2 ARG 3 2.222 -9.051 -7.337 34 H ARG 4 H ARG 4 4.056 -0.985 -7.293 35 HA ARG 4 HA ARG 4 5.769 -1.012 -9.691 36 HB2 ARG 4 2HB ARG 4 2.776 -0.883 -9.440 37 HB3 ARG 4 3HB ARG 4 3.592 -0.265 -10.869 38 HG2 ARG 4 2HG ARG 4 3.827 -2.302 -11.708 39 HG3 ARG 4 3HG ARG 4 4.531 -2.908 -10.207 40 HD2 ARG 4 2HD ARG 4 2.611 -4.190 -10.434 41 HD3 ARG 4 3HD ARG 4 2.101 -2.908 -9.337 42 HE ARG 4 HE ARG 4 1.498 -2.016 -11.873 43 HH11 ARG 4 1HH1 ARG 4 0.634 -4.728 -9.868 44 HH12 ARG 4 2HH1 ARG 4 -0.940 -4.911 -10.568 45 HH21 ARG 4 1HH2 ARG 4 -0.571 -2.247 -12.803 46 HH22 ARG 4 2HH2 ARG 4 -1.624 -3.500 -12.239 47 H ARG 5 H ARG 5 5.041 0.752 -7.084 48 HA ARG 5 HA ARG 5 4.238 3.252 -7.726 49 HB2 ARG 5 2HB ARG 5 5.584 4.098 -5.924 50 HB3 ARG 5 3HB ARG 5 5.010 2.497 -5.477 51 HG2 ARG 5 2HG ARG 5 7.391 1.896 -6.630 52 HG3 ARG 5 3HG ARG 5 7.736 3.471 -5.912 53 HD2 ARG 5 2HD ARG 5 6.821 2.617 -3.761 54 HD3 ARG 5 3HD ARG 5 6.664 1.028 -4.508 55 HE ARG 5 HE ARG 5 9.257 1.592 -4.914 56 HH11 ARG 5 1HH1 ARG 5 7.246 1.755 -2.076 57 HH12 ARG 5 2HH1 ARG 5 8.543 1.421 -0.978 58 HH21 ARG 5 1HH2 ARG 5 10.973 1.151 -3.478 59 HH22 ARG 5 2HH2 ARG 5 10.663 1.078 -1.776 60 H PHE 6 H PHE 6 7.317 1.788 -8.553 61 HA PHE 6 HA PHE 6 8.711 4.056 -9.382 62 HB2 PHE 6 2HB PHE 6 10.288 2.534 -9.832 63 HB3 PHE 6 3HB PHE 6 9.121 1.278 -9.430 64 HD1 PHE 6 HD2 PHE 6 7.482 0.631 -11.380 65 HD2 PHE 6 HD1 PHE 6 11.261 2.516 -11.911 66 HE1 PHE 6 HE2 PHE 6 7.558 -0.183 -13.700 67 HE2 PHE 6 HE1 PHE 6 11.343 1.706 -14.233 68 HZ PHE 6 HZ PHE 6 9.490 0.354 -15.130 69 H VAL 7 H VAL 7 6.582 1.903 -11.237 70 HA VAL 7 HA VAL 7 6.215 2.150 -13.602 71 HB VAL 7 HB VAL 7 4.241 3.866 -13.601 72 HG11 VAL 7 1HG1 VAL 7 4.235 1.299 -13.487 73 HG12 VAL 7 2HG1 VAL 7 3.915 1.518 -11.765 74 HG13 VAL 7 3HG1 VAL 7 2.788 2.159 -12.961 75 HG21 VAL 7 3HG2 VAL 7 3.944 3.421 -10.736 76 HG22 VAL 7 1HG2 VAL 7 5.300 4.474 -11.139 77 HG23 VAL 7 2HG2 VAL 7 3.675 4.881 -11.690 78 H VAL 8 H VAL 8 8.563 3.569 -13.220 79 HA VAL 8 HA VAL 8 8.465 6.299 -13.823 80 HB VAL 8 HB VAL 8 10.764 6.169 -14.376 81 HG11 VAL 8 1HG1 VAL 8 9.912 4.218 -12.272 82 HG12 VAL 8 2HG1 VAL 8 11.623 4.484 -12.612 83 HG13 VAL 8 3HG1 VAL 8 10.608 5.827 -12.086 84 HG21 VAL 8 3HG2 VAL 8 11.671 3.654 -14.568 85 HG22 VAL 8 1HG2 VAL 8 10.062 3.437 -15.257 86 HG23 VAL 8 2HG2 VAL 8 11.174 4.608 -15.966 87 H GLY 9 H GLY 9 6.884 4.241 -15.546 88 HA2 GLY 9 2HA GLY 9 7.841 5.103 -18.190 89 HA3 GLY 9 3HA GLY 9 6.752 3.758 -17.887 90 H ARG 10 H ARG 10 6.537 7.047 -16.602 91 HA ARG 10 HA ARG 10 3.830 7.229 -17.675 92 HB2 ARG 10 2HB ARG 10 5.094 9.335 -15.959 93 HB3 ARG 10 3HB ARG 10 3.405 8.858 -16.070 94 HG2 ARG 10 2HG ARG 10 3.744 7.746 -14.177 95 HG3 ARG 10 3HG ARG 10 4.639 6.578 -15.151 96 HD2 ARG 10 2HD ARG 10 6.647 7.279 -14.384 97 HD3 ARG 10 3HD ARG 10 6.143 8.966 -14.301 98 HE ARG 10 HE ARG 10 4.874 7.376 -12.305 99 HH11 ARG 10 1HH1 ARG 10 7.838 9.012 -13.115 100 HH12 ARG 10 2HH1 ARG 10 8.315 9.241 -11.465 101 HH21 ARG 10 1HH2 ARG 10 5.491 7.671 -10.129 102 HH22 ARG 10 2HH2 ARG 10 6.980 8.477 -9.767 Start of MODEL 8 1 H1 LEU 1 H LEU 1 0.751 -0.342 0.253 2 HA LEU 1 HA LEU 1 1.897 1.130 -1.785 3 HB2 LEU 1 2HB LEU 1 3.741 1.148 0.071 4 HB3 LEU 1 3HB LEU 1 4.073 -0.478 -0.524 5 HG LEU 1 HG LEU 1 3.949 1.615 -2.591 6 HD11 LEU 1 1HD1 LEU 1 6.236 2.404 -2.072 7 HD12 LEU 1 2HD1 LEU 1 6.135 1.577 -0.517 8 HD13 LEU 1 3HD1 LEU 1 5.038 2.909 -0.881 9 HD21 LEU 1 3HD2 LEU 1 5.161 -0.964 -2.107 10 HD22 LEU 1 1HD2 LEU 1 6.341 0.205 -2.701 11 HD23 LEU 1 2HD2 LEU 1 4.877 -0.119 -3.630 12 H TYR 2 H TYR 2 2.929 -0.287 -3.486 13 HA TYR 2 HA TYR 2 1.880 -3.035 -3.300 14 HB2 TYR 2 2HB TYR 2 1.904 -2.436 -6.004 15 HB3 TYR 2 3HB TYR 2 0.484 -2.469 -4.964 16 HD1 TYR 2 HD1 TYR 2 3.283 -0.089 -5.695 17 HD2 TYR 2 HD2 TYR 2 -0.901 -0.645 -5.155 18 HE1 TYR 2 HE1 TYR 2 2.915 2.303 -6.133 19 HE2 TYR 2 HE2 TYR 2 -1.281 1.745 -5.593 20 HH TYR 2 HH TYR 2 -0.236 3.782 -5.720 21 H ARG 3 H ARG 3 3.509 -1.799 -6.109 22 HA ARG 3 HA ARG 3 6.157 -2.440 -5.477 23 HB2 ARG 3 2HB ARG 3 6.494 -4.607 -6.285 24 HB3 ARG 3 3HB ARG 3 5.006 -4.741 -5.358 25 HG2 ARG 3 2HG ARG 3 5.172 -4.437 -8.349 26 HG3 ARG 3 3HG ARG 3 4.891 -5.949 -7.483 27 HD2 ARG 3 2HD ARG 3 2.962 -4.396 -6.404 28 HD3 ARG 3 3HD ARG 3 3.067 -3.698 -8.019 29 HE ARG 3 HE ARG 3 2.931 -6.367 -8.484 30 HH11 ARG 3 1HH1 ARG 3 0.986 -4.128 -6.661 31 HH12 ARG 3 2HH1 ARG 3 -0.487 -5.008 -6.903 32 HH21 ARG 3 1HH2 ARG 3 0.999 -7.535 -8.810 33 HH22 ARG 3 2HH2 ARG 3 -0.478 -6.946 -8.125 34 H ARG 4 H ARG 4 4.143 -0.834 -7.177 35 HA ARG 4 HA ARG 4 5.721 -0.914 -9.665 36 HB2 ARG 4 2HB ARG 4 2.777 -0.471 -9.242 37 HB3 ARG 4 3HB ARG 4 3.587 0.123 -10.686 38 HG2 ARG 4 2HG ARG 4 3.552 -1.886 -11.624 39 HG3 ARG 4 3HG ARG 4 4.248 -2.640 -10.188 40 HD2 ARG 4 2HD ARG 4 1.935 -2.520 -9.170 41 HD3 ARG 4 3HD ARG 4 1.350 -2.086 -10.775 42 HE ARG 4 HE ARG 4 2.085 -4.686 -9.866 43 HH11 ARG 4 1HH1 ARG 4 2.000 -2.617 -12.665 44 HH12 ARG 4 2HH1 ARG 4 1.916 -3.929 -13.794 45 HH21 ARG 4 1HH2 ARG 4 1.974 -6.422 -11.342 46 HH22 ARG 4 2HH2 ARG 4 1.900 -6.093 -13.040 47 H ARG 5 H ARG 5 5.321 0.775 -6.939 48 HA ARG 5 HA ARG 5 4.771 3.379 -7.421 49 HB2 ARG 5 2HB ARG 5 6.282 3.977 -5.650 50 HB3 ARG 5 3HB ARG 5 5.550 2.428 -5.250 51 HG2 ARG 5 2HG ARG 5 7.802 1.639 -6.554 52 HG3 ARG 5 3HG ARG 5 8.347 3.117 -5.759 53 HD2 ARG 5 2HD ARG 5 6.828 1.747 -3.849 54 HD3 ARG 5 3HD ARG 5 7.819 0.519 -4.636 55 HE ARG 5 HE ARG 5 9.245 2.897 -3.828 56 HH11 ARG 5 1HH1 ARG 5 8.196 -0.302 -2.940 57 HH12 ARG 5 2HH1 ARG 5 9.422 -0.510 -1.733 58 HH21 ARG 5 1HH2 ARG 5 10.862 2.635 -2.241 59 HH22 ARG 5 2HH2 ARG 5 10.937 1.162 -1.336 60 H PHE 6 H PHE 6 7.625 1.631 -8.473 61 HA PHE 6 HA PHE 6 9.229 3.774 -9.258 62 HB2 PHE 6 2HB PHE 6 10.602 2.114 -9.863 63 HB3 PHE 6 3HB PHE 6 9.322 0.975 -9.459 64 HD1 PHE 6 HD2 PHE 6 7.528 0.619 -11.349 65 HD2 PHE 6 HD1 PHE 6 11.470 2.091 -11.988 66 HE1 PHE 6 HE2 PHE 6 7.402 -0.076 -13.706 67 HE2 PHE 6 HE1 PHE 6 11.350 1.399 -14.346 68 HZ PHE 6 HZ PHE 6 9.315 0.313 -15.207 69 H VAL 7 H VAL 7 6.785 1.975 -11.103 70 HA VAL 7 HA VAL 7 6.344 2.388 -13.432 71 HB VAL 7 HB VAL 7 4.581 4.313 -13.247 72 HG11 VAL 7 1HG1 VAL 7 4.292 1.755 -13.256 73 HG12 VAL 7 2HG1 VAL 7 4.063 1.922 -11.515 74 HG13 VAL 7 3HG1 VAL 7 2.973 2.744 -12.632 75 HG21 VAL 7 3HG2 VAL 7 4.366 3.743 -10.396 76 HG22 VAL 7 1HG2 VAL 7 5.811 4.663 -10.815 77 HG23 VAL 7 2HG2 VAL 7 4.217 5.274 -11.260 78 H VAL 8 H VAL 8 8.852 3.511 -13.105 79 HA VAL 8 HA VAL 8 9.045 6.263 -13.565 80 HB VAL 8 HB VAL 8 11.282 5.904 -14.250 81 HG11 VAL 8 1HG1 VAL 8 10.308 3.953 -12.202 82 HG12 VAL 8 2HG1 VAL 8 12.019 4.022 -12.629 83 HG13 VAL 8 3HG1 VAL 8 11.212 5.450 -11.979 84 HG21 VAL 8 3HG2 VAL 8 11.900 3.336 -14.636 85 HG22 VAL 8 1HG2 VAL 8 10.232 3.307 -15.209 86 HG23 VAL 8 2HG2 VAL 8 11.400 4.401 -15.950 87 H GLY 9 H GLY 9 7.157 4.490 -15.303 88 HA2 GLY 9 2HA GLY 9 8.095 5.223 -17.970 89 HA3 GLY 9 3HA GLY 9 6.700 4.221 -17.597 90 H ARG 10 H ARG 10 7.364 7.373 -16.182 91 HA ARG 10 HA ARG 10 4.844 8.335 -17.327 92 HB2 ARG 10 2HB ARG 10 6.395 9.831 -15.248 93 HB3 ARG 10 3HB ARG 10 4.660 9.792 -15.528 94 HG2 ARG 10 2HG ARG 10 6.277 7.508 -14.418 95 HG3 ARG 10 3HG ARG 10 5.332 8.647 -13.456 96 HD2 ARG 10 2HD ARG 10 3.612 7.697 -15.461 97 HD3 ARG 10 3HD ARG 10 4.475 6.287 -14.849 98 HE ARG 10 HE ARG 10 3.653 7.680 -12.624 99 HH11 ARG 10 1HH1 ARG 10 2.129 6.190 -15.376 100 HH12 ARG 10 2HH1 ARG 10 0.666 5.815 -14.527 101 HH21 ARG 10 1HH2 ARG 10 1.732 7.192 -11.496 102 HH22 ARG 10 2HH2 ARG 10 0.441 6.386 -12.320 Start of MODEL 9 1 H1 LEU 1 H LEU 1 1.219 -0.029 0.716 2 HA LEU 1 HA LEU 1 1.221 0.877 -2.059 3 HB2 LEU 1 2HB LEU 1 2.978 1.476 -0.260 4 HB3 LEU 1 3HB LEU 1 3.614 -0.138 -0.570 5 HG LEU 1 HG LEU 1 3.230 1.472 -2.986 6 HD11 LEU 1 1HD1 LEU 1 3.999 3.055 -1.034 7 HD12 LEU 1 2HD1 LEU 1 4.741 3.149 -2.631 8 HD13 LEU 1 3HD1 LEU 1 5.560 2.289 -1.327 9 HD21 LEU 1 3HD2 LEU 1 4.753 -0.715 -2.098 10 HD22 LEU 1 1HD2 LEU 1 5.901 0.572 -2.470 11 HD23 LEU 1 2HD2 LEU 1 4.758 0.028 -3.698 12 H TYR 2 H TYR 2 2.643 -0.466 -3.578 13 HA TYR 2 HA TYR 2 2.064 -3.329 -3.188 14 HB2 TYR 2 2HB TYR 2 2.178 -2.965 -5.931 15 HB3 TYR 2 3HB TYR 2 0.714 -3.159 -4.972 16 HD1 TYR 2 HD2 TYR 2 3.112 -0.390 -5.755 17 HD2 TYR 2 HD1 TYR 2 -0.944 -1.635 -5.431 18 HE1 TYR 2 HE2 TYR 2 2.375 1.855 -6.437 19 HE2 TYR 2 HE1 TYR 2 -1.692 0.607 -6.113 20 HH TYR 2 HH TYR 2 -0.061 3.219 -5.950 21 H ARG 3 H ARG 3 3.658 -2.058 -6.003 22 HA ARG 3 HA ARG 3 6.325 -2.184 -5.163 23 HB2 ARG 3 2HB ARG 3 7.073 -4.316 -5.773 24 HB3 ARG 3 3HB ARG 3 5.571 -4.631 -4.914 25 HG2 ARG 3 2HG ARG 3 5.883 -4.534 -7.908 26 HG3 ARG 3 3HG ARG 3 5.789 -5.999 -6.929 27 HD2 ARG 3 2HD ARG 3 3.565 -4.799 -6.083 28 HD3 ARG 3 3HD ARG 3 3.668 -4.070 -7.685 29 HE ARG 3 HE ARG 3 4.018 -6.760 -8.092 30 HH11 ARG 3 1HH1 ARG 3 1.559 -4.741 -6.679 31 HH12 ARG 3 2HH1 ARG 3 0.259 -5.810 -7.094 32 HH21 ARG 3 1HH2 ARG 3 2.317 -8.175 -8.643 33 HH22 ARG 3 2HH2 ARG 3 0.692 -7.763 -8.210 34 H ARG 4 H ARG 4 4.212 -1.059 -7.100 35 HA ARG 4 HA ARG 4 5.948 -1.063 -9.482 36 HB2 ARG 4 2HB ARG 4 2.948 -1.062 -9.262 37 HB3 ARG 4 3HB ARG 4 3.756 -0.463 -10.705 38 HG2 ARG 4 2HG ARG 4 4.042 -2.521 -11.469 39 HG3 ARG 4 3HG ARG 4 4.821 -3.024 -9.967 40 HD2 ARG 4 2HD ARG 4 3.041 -4.308 -9.596 41 HD3 ARG 4 3HD ARG 4 2.133 -2.823 -9.313 42 HE ARG 4 HE ARG 4 2.008 -4.528 -11.640 43 HH11 ARG 4 1HH1 ARG 4 1.352 -1.376 -10.316 44 HH12 ARG 4 2HH1 ARG 4 0.138 -0.991 -11.491 45 HH21 ARG 4 1HH2 ARG 4 0.412 -4.033 -13.193 46 HH22 ARG 4 2HH2 ARG 4 -0.396 -2.503 -13.127 47 H ARG 5 H ARG 5 5.052 0.734 -6.930 48 HA ARG 5 HA ARG 5 4.160 3.175 -7.682 49 HB2 ARG 5 2HB ARG 5 5.413 4.138 -5.858 50 HB3 ARG 5 3HB ARG 5 4.846 2.544 -5.379 51 HG2 ARG 5 2HG ARG 5 7.309 1.985 -6.420 52 HG3 ARG 5 3HG ARG 5 7.563 3.563 -5.670 53 HD2 ARG 5 2HD ARG 5 6.395 2.574 -3.622 54 HD3 ARG 5 3HD ARG 5 6.633 1.008 -4.395 55 HE ARG 5 HE ARG 5 8.623 2.620 -3.104 56 HH11 ARG 5 1HH1 ARG 5 8.063 0.182 -5.526 57 HH12 ARG 5 2HH1 ARG 5 9.671 -0.458 -5.441 58 HH21 ARG 5 1HH2 ARG 5 10.743 1.786 -2.982 59 HH22 ARG 5 2HH2 ARG 5 11.194 0.455 -3.993 60 H PHE 6 H PHE 6 7.331 1.828 -8.341 61 HA PHE 6 HA PHE 6 8.661 4.135 -9.173 62 HB2 PHE 6 2HB PHE 6 10.321 2.675 -9.513 63 HB3 PHE 6 3HB PHE 6 9.195 1.379 -9.121 64 HD1 PHE 6 HD1 PHE 6 7.667 0.606 -11.116 65 HD2 PHE 6 HD2 PHE 6 11.383 2.636 -11.549 66 HE1 PHE 6 HE1 PHE 6 7.875 -0.270 -13.406 67 HE2 PHE 6 HE2 PHE 6 11.596 1.764 -13.839 68 HZ PHE 6 HZ PHE 6 9.841 0.310 -14.771 69 H VAL 7 H VAL 7 6.707 1.840 -11.051 70 HA VAL 7 HA VAL 7 6.432 2.005 -13.435 71 HB VAL 7 HB VAL 7 4.388 3.634 -13.567 72 HG11 VAL 7 1HG1 VAL 7 4.487 1.072 -13.377 73 HG12 VAL 7 2HG1 VAL 7 4.081 1.326 -11.678 74 HG13 VAL 7 3HG1 VAL 7 2.983 1.883 -12.942 75 HG21 VAL 7 3HG2 VAL 7 3.988 3.254 -10.705 76 HG22 VAL 7 1HG2 VAL 7 5.315 4.354 -11.082 77 HG23 VAL 7 2HG2 VAL 7 3.698 4.674 -11.711 78 H VAL 8 H VAL 8 8.698 3.535 -12.998 79 HA VAL 8 HA VAL 8 8.513 6.240 -13.685 80 HB VAL 8 HB VAL 8 10.836 6.194 -14.139 81 HG11 VAL 8 1HG1 VAL 8 9.978 4.267 -12.015 82 HG12 VAL 8 2HG1 VAL 8 11.689 4.596 -12.293 83 HG13 VAL 8 3HG1 VAL 8 10.598 5.909 -11.848 84 HG21 VAL 8 3HG2 VAL 8 11.856 3.717 -14.220 85 HG22 VAL 8 1HG2 VAL 8 10.288 3.410 -14.966 86 HG23 VAL 8 2HG2 VAL 8 11.377 4.608 -15.665 87 H GLY 9 H GLY 9 7.094 4.068 -15.410 88 HA2 GLY 9 2HA GLY 9 8.125 4.897 -18.037 89 HA3 GLY 9 3HA GLY 9 7.081 3.516 -17.739 90 H ARG 10 H ARG 10 6.676 6.827 -16.562 91 HA ARG 10 HA ARG 10 4.012 6.863 -17.752 92 HB2 ARG 10 2HB ARG 10 5.112 9.068 -16.047 93 HB3 ARG 10 3HB ARG 10 3.451 8.516 -16.213 94 HG2 ARG 10 2HG ARG 10 3.755 7.472 -14.277 95 HG3 ARG 10 3HG ARG 10 4.739 6.316 -15.178 96 HD2 ARG 10 2HD ARG 10 6.681 7.123 -14.349 97 HD3 ARG 10 3HD ARG 10 6.105 8.789 -14.338 98 HE ARG 10 HE ARG 10 6.078 6.961 -12.159 99 HH11 ARG 10 1HH1 ARG 10 4.320 9.598 -13.600 100 HH12 ARG 10 2HH1 ARG 10 3.603 10.107 -12.108 101 HH21 ARG 10 1HH2 ARG 10 5.140 7.622 -10.188 102 HH22 ARG 10 2HH2 ARG 10 4.071 8.983 -10.167 Start of MODEL 10 1 H1 LEU 1 H LEU 1 1.403 -0.492 0.711 2 HA LEU 1 HA LEU 1 1.560 0.865 -1.897 3 HB2 LEU 1 2HB LEU 1 3.436 1.339 -0.181 4 HB3 LEU 1 3HB LEU 1 3.972 -0.298 -0.555 5 HG LEU 1 HG LEU 1 3.544 1.378 -2.917 6 HD11 LEU 1 1HD1 LEU 1 5.196 2.948 -2.622 7 HD12 LEU 1 2HD1 LEU 1 5.974 2.047 -1.322 8 HD13 LEU 1 3HD1 LEU 1 4.466 2.910 -1.017 9 HD21 LEU 1 3HD2 LEU 1 5.062 -0.872 -2.095 10 HD22 LEU 1 1HD2 LEU 1 6.185 0.375 -2.636 11 HD23 LEU 1 2HD2 LEU 1 4.903 -0.183 -3.711 12 H TYR 2 H TYR 2 2.833 -0.523 -3.506 13 HA TYR 2 HA TYR 2 2.122 -3.358 -3.129 14 HB2 TYR 2 2HB TYR 2 2.121 -2.957 -5.868 15 HB3 TYR 2 3HB TYR 2 0.697 -3.083 -4.841 16 HD1 TYR 2 HD2 TYR 2 3.208 -0.438 -5.692 17 HD2 TYR 2 HD1 TYR 2 -0.893 -1.465 -5.212 18 HE1 TYR 2 HE2 TYR 2 2.568 1.855 -6.309 19 HE2 TYR 2 HE1 TYR 2 -1.545 0.824 -5.829 20 HH TYR 2 HH TYR 2 0.625 3.387 -5.938 21 H ARG 3 H ARG 3 3.642 -2.130 -6.003 22 HA ARG 3 HA ARG 3 6.337 -2.418 -5.291 23 HB2 ARG 3 2HB ARG 3 6.934 -4.572 -5.976 24 HB3 ARG 3 3HB ARG 3 5.450 -4.826 -5.066 25 HG2 ARG 3 2HG ARG 3 5.664 -4.675 -8.067 26 HG3 ARG 3 3HG ARG 3 5.500 -6.151 -7.113 27 HD2 ARG 3 2HD ARG 3 3.368 -5.041 -6.178 28 HD3 ARG 3 3HD ARG 3 3.501 -3.965 -7.568 29 HE ARG 3 HE ARG 3 3.660 -6.413 -8.689 30 HH11 ARG 3 1HH1 ARG 3 1.418 -4.968 -6.451 31 HH12 ARG 3 2HH1 ARG 3 0.069 -5.911 -6.992 32 HH21 ARG 3 1HH2 ARG 3 1.891 -7.660 -9.410 33 HH22 ARG 3 2HH2 ARG 3 0.339 -7.442 -8.674 34 H ARG 4 H ARG 4 4.194 -1.139 -7.105 35 HA ARG 4 HA ARG 4 5.825 -1.166 -9.560 36 HB2 ARG 4 2HB ARG 4 2.841 -1.051 -9.208 37 HB3 ARG 4 3HB ARG 4 3.606 -0.435 -10.667 38 HG2 ARG 4 2HG ARG 4 3.823 -2.475 -11.505 39 HG3 ARG 4 3HG ARG 4 4.581 -3.070 -10.027 40 HD2 ARG 4 2HD ARG 4 2.662 -4.364 -10.181 41 HD3 ARG 4 3HD ARG 4 2.181 -3.077 -9.075 42 HE ARG 4 HE ARG 4 0.684 -2.331 -10.644 43 HH11 ARG 4 1HH1 ARG 4 2.898 -4.567 -12.133 44 HH12 ARG 4 2HH1 ARG 4 2.015 -4.652 -13.622 45 HH21 ARG 4 1HH2 ARG 4 -0.487 -2.434 -12.598 46 HH22 ARG 4 2HH2 ARG 4 0.091 -3.438 -13.885 47 H ARG 5 H ARG 5 5.146 0.605 -6.934 48 HA ARG 5 HA ARG 5 4.320 3.099 -7.573 49 HB2 ARG 5 2HB ARG 5 5.680 3.957 -5.795 50 HB3 ARG 5 3HB ARG 5 5.146 2.346 -5.336 51 HG2 ARG 5 2HG ARG 5 7.505 1.769 -6.521 52 HG3 ARG 5 3HG ARG 5 7.848 3.367 -5.855 53 HD2 ARG 5 2HD ARG 5 6.460 1.926 -3.868 54 HD3 ARG 5 3HD ARG 5 7.694 0.845 -4.514 55 HE ARG 5 HE ARG 5 8.628 3.499 -3.864 56 HH11 ARG 5 1HH1 ARG 5 8.118 0.246 -2.733 57 HH12 ARG 5 2HH1 ARG 5 9.296 0.362 -1.468 58 HH21 ARG 5 1HH2 ARG 5 10.181 3.664 -2.203 59 HH22 ARG 5 2HH2 ARG 5 10.469 2.307 -1.167 60 H PHE 6 H PHE 6 7.390 1.644 -8.450 61 HA PHE 6 HA PHE 6 8.760 3.914 -9.314 62 HB2 PHE 6 2HB PHE 6 10.334 2.395 -9.786 63 HB3 PHE 6 3HB PHE 6 9.180 1.137 -9.357 64 HD1 PHE 6 HD2 PHE 6 7.508 0.475 -11.274 65 HD2 PHE 6 HD1 PHE 6 11.270 2.371 -11.882 66 HE1 PHE 6 HE2 PHE 6 7.544 -0.348 -13.592 67 HE2 PHE 6 HE1 PHE 6 11.312 1.551 -14.201 68 HZ PHE 6 HZ PHE 6 9.448 0.189 -15.059 69 H VAL 7 H VAL 7 6.605 1.743 -11.120 70 HA VAL 7 HA VAL 7 6.194 1.979 -13.479 71 HB VAL 7 HB VAL 7 4.214 3.688 -13.450 72 HG11 VAL 7 1HG1 VAL 7 4.219 1.121 -13.325 73 HG12 VAL 7 2HG1 VAL 7 3.931 1.346 -11.599 74 HG13 VAL 7 3HG1 VAL 7 2.779 1.978 -12.775 75 HG21 VAL 7 3HG2 VAL 7 3.972 3.254 -10.578 76 HG22 VAL 7 1HG2 VAL 7 5.316 4.311 -11.010 77 HG23 VAL 7 2HG2 VAL 7 3.679 4.708 -11.532 78 H VAL 8 H VAL 8 8.543 3.408 -13.146 79 HA VAL 8 HA VAL 8 8.423 6.135 -13.762 80 HB VAL 8 HB VAL 8 10.712 6.013 -14.350 81 HG11 VAL 8 1HG1 VAL 8 9.905 4.066 -12.225 82 HG12 VAL 8 2HG1 VAL 8 11.609 4.339 -12.594 83 HG13 VAL 8 3HG1 VAL 8 10.596 5.679 -12.056 84 HG21 VAL 8 3HG2 VAL 8 11.623 3.495 -14.543 85 HG22 VAL 8 1HG2 VAL 8 10.007 3.279 -15.216 86 HG23 VAL 8 2HG2 VAL 8 11.114 4.449 -15.937 87 H GLY 9 H GLY 9 6.810 4.077 -15.442 88 HA2 GLY 9 2HA GLY 9 7.729 4.906 -18.110 89 HA3 GLY 9 3HA GLY 9 6.630 3.577 -17.775 90 H ARG 10 H ARG 10 6.477 6.882 -16.522 91 HA ARG 10 HA ARG 10 3.761 7.088 -17.582 92 HB2 ARG 10 2HB ARG 10 5.010 9.183 -15.849 93 HB3 ARG 10 3HB ARG 10 3.331 8.666 -15.941 94 HG2 ARG 10 2HG ARG 10 3.757 7.601 -14.029 95 HG3 ARG 10 3HG ARG 10 4.565 6.405 -15.045 96 HD2 ARG 10 2HD ARG 10 5.970 7.110 -13.162 97 HD3 ARG 10 3HD ARG 10 6.692 7.525 -14.716 98 HE ARG 10 HE ARG 10 6.580 9.722 -14.118 99 HH11 ARG 10 1HH1 ARG 10 4.349 7.918 -12.147 100 HH12 ARG 10 2HH1 ARG 10 3.933 9.272 -11.149 101 HH21 ARG 10 1HH2 ARG 10 6.042 11.512 -12.811 102 HH22 ARG 10 2HH2 ARG 10 4.896 11.316 -11.528 Start of MODEL 11 1 H1 LEU 1 H LEU 1 1.909 -0.051 1.073 2 HA LEU 1 HA LEU 1 1.789 1.053 -1.588 3 HB2 LEU 1 2HB LEU 1 3.773 1.067 0.065 4 HB3 LEU 1 3HB LEU 1 4.057 -0.577 -0.503 5 HG LEU 1 HG LEU 1 3.793 1.395 -2.652 6 HD11 LEU 1 1HD1 LEU 1 6.339 1.961 -2.057 7 HD12 LEU 1 2HD1 LEU 1 5.686 1.827 -0.425 8 HD13 LEU 1 3HD1 LEU 1 4.985 2.977 -1.563 9 HD21 LEU 1 3HD2 LEU 1 4.789 -0.333 -3.630 10 HD22 LEU 1 1HD2 LEU 1 5.105 -1.100 -2.074 11 HD23 LEU 1 2HD2 LEU 1 6.253 0.068 -2.731 12 H TYR 2 H TYR 2 2.785 -0.286 -3.413 13 HA TYR 2 HA TYR 2 1.712 -3.029 -3.322 14 HB2 TYR 2 2HB TYR 2 1.637 -2.305 -5.991 15 HB3 TYR 2 3HB TYR 2 0.259 -2.361 -4.897 16 HD1 TYR 2 HD2 TYR 2 3.070 0.005 -5.620 17 HD2 TYR 2 HD1 TYR 2 -1.103 -0.511 -4.972 18 HE1 TYR 2 HE2 TYR 2 2.728 2.420 -5.938 19 HE2 TYR 2 HE1 TYR 2 -1.457 1.902 -5.289 20 HH TYR 2 HH TYR 2 1.142 4.141 -5.404 21 H ARG 3 H ARG 3 3.245 -1.675 -6.130 22 HA ARG 3 HA ARG 3 5.911 -2.328 -5.654 23 HB2 ARG 3 2HB ARG 3 6.053 -4.457 -6.989 24 HB3 ARG 3 3HB ARG 3 5.298 -4.618 -5.408 25 HG2 ARG 3 2HG ARG 3 3.934 -5.878 -6.793 26 HG3 ARG 3 3HG ARG 3 3.078 -4.340 -6.669 27 HD2 ARG 3 2HD ARG 3 3.523 -3.760 -8.833 28 HD3 ARG 3 3HD ARG 3 5.032 -4.670 -8.880 29 HE ARG 3 HE ARG 3 2.399 -5.634 -9.537 30 HH11 ARG 3 1HH1 ARG 3 5.627 -6.506 -8.565 31 HH12 ARG 3 2HH1 ARG 3 5.519 -8.119 -9.187 32 HH21 ARG 3 1HH2 ARG 3 2.245 -7.755 -10.361 33 HH22 ARG 3 2HH2 ARG 3 3.595 -8.828 -10.210 34 H ARG 4 H ARG 4 3.948 -0.602 -7.164 35 HA ARG 4 HA ARG 4 5.295 -0.738 -9.782 36 HB2 ARG 4 2HB ARG 4 2.430 -0.124 -9.109 37 HB3 ARG 4 3HB ARG 4 3.154 0.454 -10.603 38 HG2 ARG 4 2HG ARG 4 2.900 -1.521 -11.574 39 HG3 ARG 4 3HG ARG 4 3.689 -2.349 -10.230 40 HD2 ARG 4 2HD ARG 4 1.496 -2.135 -8.986 41 HD3 ARG 4 3HD ARG 4 0.782 -1.627 -10.516 42 HE ARG 4 HE ARG 4 2.176 -4.065 -10.842 43 HH11 ARG 4 1HH1 ARG 4 -0.740 -2.740 -9.479 44 HH12 ARG 4 2HH1 ARG 4 -1.642 -4.210 -9.648 45 HH21 ARG 4 1HH2 ARG 4 0.999 -6.006 -11.071 46 HH22 ARG 4 2HH2 ARG 4 -0.651 -6.067 -10.553 47 H ARG 5 H ARG 5 5.032 0.965 -6.982 48 HA ARG 5 HA ARG 5 4.690 3.601 -7.485 49 HB2 ARG 5 2HB ARG 5 6.189 4.092 -5.682 50 HB3 ARG 5 3HB ARG 5 5.368 2.585 -5.300 51 HG2 ARG 5 2HG ARG 5 7.572 1.642 -6.542 52 HG3 ARG 5 3HG ARG 5 8.210 3.115 -5.809 53 HD2 ARG 5 2HD ARG 5 6.504 1.579 -4.012 54 HD3 ARG 5 3HD ARG 5 7.919 0.681 -4.561 55 HE ARG 5 HE ARG 5 8.467 3.353 -3.612 56 HH11 ARG 5 1HH1 ARG 5 8.190 -0.019 -2.791 57 HH12 ARG 5 2HH1 ARG 5 9.184 0.109 -1.378 58 HH21 ARG 5 1HH2 ARG 5 9.778 3.535 -1.753 59 HH22 ARG 5 2HH2 ARG 5 10.086 2.131 -0.788 60 H PHE 6 H PHE 6 7.412 1.631 -8.488 61 HA PHE 6 HA PHE 6 9.191 3.641 -9.252 62 HB2 PHE 6 2HB PHE 6 10.445 1.878 -9.820 63 HB3 PHE 6 3HB PHE 6 9.074 0.842 -9.436 64 HD1 PHE 6 HD1 PHE 6 7.296 0.609 -11.359 65 HD2 PHE 6 HD2 PHE 6 11.348 1.778 -11.929 66 HE1 PHE 6 HE1 PHE 6 7.162 -0.089 -13.714 67 HE2 PHE 6 HE2 PHE 6 11.221 1.083 -14.285 68 HZ PHE 6 HZ PHE 6 9.126 0.148 -15.181 69 H VAL 7 H VAL 7 6.653 2.017 -11.131 70 HA VAL 7 HA VAL 7 6.284 2.446 -13.470 71 HB VAL 7 HB VAL 7 4.667 4.497 -13.330 72 HG11 VAL 7 1HG1 VAL 7 4.182 1.973 -13.328 73 HG12 VAL 7 2HG1 VAL 7 3.950 2.163 -11.589 74 HG13 VAL 7 3HG1 VAL 7 2.935 3.061 -12.718 75 HG21 VAL 7 3HG2 VAL 7 4.357 3.977 -10.480 76 HG22 VAL 7 1HG2 VAL 7 5.880 4.773 -10.877 77 HG23 VAL 7 2HG2 VAL 7 4.349 5.505 -11.359 78 H VAL 8 H VAL 8 8.864 3.382 -13.101 79 HA VAL 8 HA VAL 8 9.269 6.108 -13.577 80 HB VAL 8 HB VAL 8 11.487 5.578 -14.214 81 HG11 VAL 8 1HG1 VAL 8 10.335 3.719 -12.171 82 HG12 VAL 8 2HG1 VAL 8 12.056 3.674 -12.558 83 HG13 VAL 8 3HG1 VAL 8 11.328 5.157 -11.938 84 HG21 VAL 8 3HG2 VAL 8 11.896 2.949 -14.548 85 HG22 VAL 8 1HG2 VAL 8 10.260 3.076 -15.194 86 HG23 VAL 8 2HG2 VAL 8 11.558 4.049 -15.884 87 H GLY 9 H GLY 9 7.289 4.465 -15.339 88 HA2 GLY 9 2HA GLY 9 8.333 5.101 -17.992 89 HA3 GLY 9 3HA GLY 9 6.862 4.207 -17.641 90 H ARG 10 H ARG 10 7.730 7.316 -16.241 91 HA ARG 10 HA ARG 10 5.309 8.449 -17.444 92 HB2 ARG 10 2HB ARG 10 6.924 9.847 -15.346 93 HB3 ARG 10 3HB ARG 10 5.197 9.934 -15.661 94 HG2 ARG 10 2HG ARG 10 6.617 7.547 -14.499 95 HG3 ARG 10 3HG ARG 10 5.740 8.762 -13.567 96 HD2 ARG 10 2HD ARG 10 3.986 7.934 -15.588 97 HD3 ARG 10 3HD ARG 10 4.740 6.462 -14.978 98 HE ARG 10 HE ARG 10 3.965 7.973 -12.776 99 HH11 ARG 10 1HH1 ARG 10 2.481 6.327 -15.461 100 HH12 ARG 10 2HH1 ARG 10 1.013 5.984 -14.607 101 HH21 ARG 10 1HH2 ARG 10 2.037 7.527 -11.642 102 HH22 ARG 10 2HH2 ARG 10 0.761 6.668 -12.436 Start of MODEL 12 1 H1 LEU 1 H LEU 1 0.244 -0.145 0.323 2 HA LEU 1 HA LEU 1 0.439 0.239 -1.911 3 HB2 LEU 1 2HB LEU 1 2.457 1.012 -2.775 4 HB3 LEU 1 3HB LEU 1 2.520 1.448 -1.069 5 HG LEU 1 HG LEU 1 3.741 -1.104 -1.381 6 HD11 LEU 1 1HD1 LEU 1 4.472 0.926 -3.448 7 HD12 LEU 1 2HD1 LEU 1 4.284 -0.820 -3.608 8 HD13 LEU 1 3HD1 LEU 1 5.699 -0.156 -2.790 9 HD21 LEU 1 3HD2 LEU 1 5.290 -0.180 -0.025 10 HD22 LEU 1 1HD2 LEU 1 4.069 1.079 0.154 11 HD23 LEU 1 2HD2 LEU 1 5.402 1.300 -0.979 12 H TYR 2 H TYR 2 2.189 -0.728 -3.828 13 HA TYR 2 HA TYR 2 1.921 -3.648 -3.526 14 HB2 TYR 2 2HB TYR 2 1.821 -3.259 -6.232 15 HB3 TYR 2 3HB TYR 2 0.414 -3.468 -5.194 16 HD1 TYR 2 HD1 TYR 2 2.709 -0.594 -5.892 17 HD2 TYR 2 HD2 TYR 2 -1.289 -2.050 -5.822 18 HE1 TYR 2 HE1 TYR 2 1.894 1.628 -6.560 19 HE2 TYR 2 HE2 TYR 2 -2.115 0.167 -6.491 20 HH TYR 2 HH TYR 2 -1.116 2.662 -6.215 21 H ARG 3 H ARG 3 3.211 -2.212 -6.398 22 HA ARG 3 HA ARG 3 5.927 -2.071 -5.702 23 HB2 ARG 3 2HB ARG 3 6.827 -4.108 -6.546 24 HB3 ARG 3 3HB ARG 3 5.547 -4.546 -5.423 25 HG2 ARG 3 2HG ARG 3 4.468 -4.296 -8.063 26 HG3 ARG 3 3HG ARG 3 5.866 -5.374 -8.081 27 HD2 ARG 3 2HD ARG 3 3.449 -5.596 -6.291 28 HD3 ARG 3 3HD ARG 3 3.831 -6.631 -7.666 29 HE ARG 3 HE ARG 3 4.926 -6.796 -5.021 30 HH11 ARG 3 1HH1 ARG 3 5.499 -7.476 -8.387 31 HH12 ARG 3 2HH1 ARG 3 6.627 -8.754 -8.071 32 HH21 ARG 3 1HH2 ARG 3 6.408 -8.476 -4.593 33 HH22 ARG 3 2HH2 ARG 3 7.142 -9.322 -5.913 34 H ARG 4 H ARG 4 3.834 -0.816 -7.349 35 HA ARG 4 HA ARG 4 5.242 -0.849 -9.938 36 HB2 ARG 4 2HB ARG 4 3.274 -0.766 -11.108 37 HB3 ARG 4 3HB ARG 4 2.743 -1.694 -9.712 38 HG2 ARG 4 2HG ARG 4 2.282 0.829 -8.849 39 HG3 ARG 4 3HG ARG 4 1.998 1.005 -10.582 40 HD2 ARG 4 2HD ARG 4 0.714 -1.061 -8.798 41 HD3 ARG 4 3HD ARG 4 -0.052 0.429 -9.348 42 HE ARG 4 HE ARG 4 0.748 -0.854 -11.635 43 HH11 ARG 4 1HH1 ARG 4 -1.292 -1.625 -8.922 44 HH12 ARG 4 2HH1 ARG 4 -2.331 -2.670 -9.833 45 HH21 ARG 4 1HH2 ARG 4 -0.612 -2.227 -12.846 46 HH22 ARG 4 2HH2 ARG 4 -1.943 -3.012 -12.065 47 H ARG 5 H ARG 5 4.524 0.931 -7.216 48 HA ARG 5 HA ARG 5 3.890 3.467 -7.924 49 HB2 ARG 5 2HB ARG 5 5.156 4.255 -6.029 50 HB3 ARG 5 3HB ARG 5 4.429 2.707 -5.620 51 HG2 ARG 5 2HG ARG 5 6.816 1.870 -6.529 52 HG3 ARG 5 3HG ARG 5 7.261 3.458 -5.900 53 HD2 ARG 5 2HD ARG 5 5.662 2.465 -3.912 54 HD3 ARG 5 3HD ARG 5 6.489 1.017 -4.485 55 HE ARG 5 HE ARG 5 7.616 3.119 -2.947 56 HH11 ARG 5 1HH1 ARG 5 8.346 0.851 -5.485 57 HH12 ARG 5 2HH1 ARG 5 10.042 0.806 -5.135 58 HH21 ARG 5 1HH2 ARG 5 9.847 3.068 -2.476 59 HH22 ARG 5 2HH2 ARG 5 10.895 2.066 -3.422 60 H PHE 6 H PHE 6 6.911 1.820 -8.561 61 HA PHE 6 HA PHE 6 8.482 4.030 -9.275 62 HB2 PHE 6 2HB PHE 6 10.029 2.440 -9.569 63 HB3 PHE 6 3HB PHE 6 8.785 1.240 -9.234 64 HD1 PHE 6 HD1 PHE 6 7.277 0.612 -11.295 65 HD2 PHE 6 HD2 PHE 6 11.163 2.328 -11.561 66 HE1 PHE 6 HE1 PHE 6 7.502 -0.261 -13.584 67 HE2 PHE 6 HE2 PHE 6 11.394 1.458 -13.851 68 HZ PHE 6 HZ PHE 6 9.562 0.162 -14.866 69 H VAL 7 H VAL 7 6.422 1.923 -11.257 70 HA VAL 7 HA VAL 7 6.260 2.132 -13.649 71 HB VAL 7 HB VAL 7 4.365 3.919 -13.848 72 HG11 VAL 7 1HG1 VAL 7 4.233 1.364 -13.671 73 HG12 VAL 7 2HG1 VAL 7 3.808 1.638 -11.980 74 HG13 VAL 7 3HG1 VAL 7 2.791 2.294 -13.264 75 HG21 VAL 7 3HG2 VAL 7 3.803 3.585 -11.014 76 HG22 VAL 7 1HG2 VAL 7 5.253 4.544 -11.313 77 HG23 VAL 7 2HG2 VAL 7 3.712 5.029 -12.022 78 H VAL 8 H VAL 8 8.627 3.461 -13.103 79 HA VAL 8 HA VAL 8 8.697 6.179 -13.764 80 HB VAL 8 HB VAL 8 11.024 5.940 -14.128 81 HG11 VAL 8 1HG1 VAL 8 9.923 4.075 -12.061 82 HG12 VAL 8 2HG1 VAL 8 11.666 4.261 -12.268 83 HG13 VAL 8 3HG1 VAL 8 10.672 5.657 -11.851 84 HG21 VAL 8 3HG2 VAL 8 11.829 3.381 -14.194 85 HG22 VAL 8 1HG2 VAL 8 10.276 3.224 -15.015 86 HG23 VAL 8 2HG2 VAL 8 11.499 4.327 -15.645 87 H GLY 9 H GLY 9 7.173 4.147 -15.571 88 HA2 GLY 9 2HA GLY 9 8.376 4.908 -18.144 89 HA3 GLY 9 3HA GLY 9 7.203 3.621 -17.904 90 H ARG 10 H ARG 10 7.039 6.942 -16.701 91 HA ARG 10 HA ARG 10 4.440 7.223 -17.998 92 HB2 ARG 10 2HB ARG 10 5.654 9.307 -16.220 93 HB3 ARG 10 3HB ARG 10 3.960 8.901 -16.460 94 HG2 ARG 10 2HG ARG 10 4.096 7.817 -14.526 95 HG3 ARG 10 3HG ARG 10 5.012 6.589 -15.403 96 HD2 ARG 10 2HD ARG 10 6.981 7.216 -14.488 97 HD3 ARG 10 3HD ARG 10 6.552 8.926 -14.479 98 HE ARG 10 HE ARG 10 5.021 7.516 -12.565 99 HH11 ARG 10 1HH1 ARG 10 8.234 8.721 -13.153 100 HH12 ARG 10 2HH1 ARG 10 8.615 8.901 -11.473 101 HH21 ARG 10 1HH2 ARG 10 5.511 7.748 -10.349 102 HH22 ARG 10 2HH2 ARG 10 7.066 8.346 -9.878 Start of MODEL 13 1 H1 LEU 1 H LEU 1 2.250 -0.746 0.966 2 HA LEU 1 HA LEU 1 1.173 0.730 -1.343 3 HB2 LEU 1 2HB LEU 1 3.336 1.034 -2.151 4 HB3 LEU 1 3HB LEU 1 3.475 1.311 -0.416 5 HG LEU 1 HG LEU 1 4.026 -1.433 -0.917 6 HD11 LEU 1 1HD1 LEU 1 6.131 -1.013 -2.292 7 HD12 LEU 1 2HD1 LEU 1 5.361 0.492 -2.792 8 HD13 LEU 1 3HD1 LEU 1 4.594 -1.054 -3.156 9 HD21 LEU 1 3HD2 LEU 1 6.020 0.717 -0.266 10 HD22 LEU 1 1HD2 LEU 1 6.009 -0.970 0.250 11 HD23 LEU 1 2HD2 LEU 1 4.823 0.160 0.904 12 H TYR 2 H TYR 2 2.584 -0.466 -3.366 13 HA TYR 2 HA TYR 2 1.653 -3.261 -3.275 14 HB2 TYR 2 2HB TYR 2 1.632 -2.550 -5.953 15 HB3 TYR 2 3HB TYR 2 0.224 -2.688 -4.906 16 HD1 TYR 2 HD1 TYR 2 2.910 -0.168 -5.588 17 HD2 TYR 2 HD2 TYR 2 -1.234 -0.911 -4.972 18 HE1 TYR 2 HE1 TYR 2 2.438 2.223 -5.919 19 HE2 TYR 2 HE2 TYR 2 -1.717 1.477 -5.303 20 HH TYR 2 HH TYR 2 -0.476 3.652 -5.089 21 H ARG 3 H ARG 3 3.219 -1.834 -6.034 22 HA ARG 3 HA ARG 3 5.891 -2.353 -5.485 23 HB2 ARG 3 2HB ARG 3 6.159 -4.499 -6.806 24 HB3 ARG 3 3HB ARG 3 5.439 -4.663 -5.210 25 HG2 ARG 3 2HG ARG 3 4.115 -6.027 -6.522 26 HG3 ARG 3 3HG ARG 3 3.188 -4.527 -6.457 27 HD2 ARG 3 2HD ARG 3 3.315 -5.519 -8.728 28 HD3 ARG 3 3HD ARG 3 3.969 -3.884 -8.634 29 HE ARG 3 HE ARG 3 6.029 -5.784 -8.269 30 HH11 ARG 3 1HH1 ARG 3 3.963 -4.430 -10.722 31 HH12 ARG 3 2HH1 ARG 3 5.087 -4.715 -12.010 32 HH21 ARG 3 1HH2 ARG 3 7.517 -6.164 -9.956 33 HH22 ARG 3 2HH2 ARG 3 7.107 -5.702 -11.573 34 H ARG 4 H ARG 4 3.894 -0.756 -7.077 35 HA ARG 4 HA ARG 4 5.308 -0.881 -9.660 36 HB2 ARG 4 2HB ARG 4 2.403 -0.386 -9.064 37 HB3 ARG 4 3HB ARG 4 3.135 0.200 -10.552 38 HG2 ARG 4 2HG ARG 4 2.993 -1.802 -11.492 39 HG3 ARG 4 3HG ARG 4 3.789 -2.570 -10.117 40 HD2 ARG 4 2HD ARG 4 1.708 -3.595 -10.149 41 HD3 ARG 4 3HD ARG 4 1.500 -2.321 -8.949 42 HE ARG 4 HE ARG 4 0.732 -1.281 -11.413 43 HH11 ARG 4 1HH1 ARG 4 -0.280 -3.771 -9.199 44 HH12 ARG 4 2HH1 ARG 4 -1.949 -3.676 -9.652 45 HH21 ARG 4 1HH2 ARG 4 -1.463 -1.147 -12.017 46 HH22 ARG 4 2HH2 ARG 4 -2.621 -2.184 -11.255 47 H ARG 5 H ARG 5 4.861 0.873 -6.901 48 HA ARG 5 HA ARG 5 4.434 3.480 -7.493 49 HB2 ARG 5 2HB ARG 5 5.843 4.079 -5.641 50 HB3 ARG 5 3HB ARG 5 5.032 2.568 -5.249 51 HG2 ARG 5 2HG ARG 5 7.336 1.665 -6.373 52 HG3 ARG 5 3HG ARG 5 7.879 3.148 -5.586 53 HD2 ARG 5 2HD ARG 5 6.550 2.258 -3.548 54 HD3 ARG 5 3HD ARG 5 6.645 0.704 -4.375 55 HE ARG 5 HE ARG 5 8.834 0.567 -3.751 56 HH11 ARG 5 1HH1 ARG 5 7.825 3.893 -3.552 57 HH12 ARG 5 2HH1 ARG 5 9.309 4.437 -2.842 58 HH21 ARG 5 1HH2 ARG 5 10.792 1.270 -2.818 59 HH22 ARG 5 2HH2 ARG 5 10.997 2.944 -2.426 60 H PHE 6 H PHE 6 7.267 1.594 -8.325 61 HA PHE 6 HA PHE 6 9.001 3.662 -9.055 62 HB2 PHE 6 2HB PHE 6 10.357 1.940 -9.506 63 HB3 PHE 6 3HB PHE 6 9.015 0.856 -9.155 64 HD1 PHE 6 HD1 PHE 6 7.345 0.487 -11.152 65 HD2 PHE 6 HD2 PHE 6 11.367 1.817 -11.565 66 HE1 PHE 6 HE1 PHE 6 7.358 -0.287 -13.487 67 HE2 PHE 6 HE2 PHE 6 11.386 1.046 -13.901 68 HZ PHE 6 HZ PHE 6 9.379 -0.007 -14.865 69 H VAL 7 H VAL 7 6.631 1.872 -11.002 70 HA VAL 7 HA VAL 7 6.361 2.213 -13.368 71 HB VAL 7 HB VAL 7 4.652 4.192 -13.373 72 HG11 VAL 7 1HG1 VAL 7 4.274 1.653 -13.310 73 HG12 VAL 7 2HG1 VAL 7 3.956 1.883 -11.590 74 HG13 VAL 7 3HG1 VAL 7 2.955 2.701 -12.790 75 HG21 VAL 7 3HG2 VAL 7 4.221 3.753 -10.527 76 HG22 VAL 7 1HG2 VAL 7 5.731 4.596 -10.874 77 HG23 VAL 7 2HG2 VAL 7 4.200 5.251 -11.457 78 H VAL 8 H VAL 8 8.877 3.273 -12.906 79 HA VAL 8 HA VAL 8 9.188 5.999 -13.448 80 HB VAL 8 HB VAL 8 11.456 5.549 -13.961 81 HG11 VAL 8 1HG1 VAL 8 10.285 3.702 -11.917 82 HG12 VAL 8 2HG1 VAL 8 12.023 3.723 -12.219 83 HG13 VAL 8 3HG1 VAL 8 11.203 5.189 -11.683 84 HG21 VAL 8 3HG2 VAL 8 11.999 2.936 -14.194 85 HG22 VAL 8 1HG2 VAL 8 10.388 2.961 -14.911 86 HG23 VAL 8 2HG2 VAL 8 11.666 3.975 -15.579 87 H GLY 9 H GLY 9 7.371 4.217 -15.250 88 HA2 GLY 9 2HA GLY 9 8.516 4.820 -17.869 89 HA3 GLY 9 3HA GLY 9 7.069 3.872 -17.561 90 H ARG 10 H ARG 10 7.732 7.058 -16.220 91 HA ARG 10 HA ARG 10 5.327 8.045 -17.573 92 HB2 ARG 10 2HB ARG 10 6.776 9.576 -15.447 93 HB3 ARG 10 3HB ARG 10 5.063 9.576 -15.846 94 HG2 ARG 10 2HG ARG 10 6.527 7.291 -14.543 95 HG3 ARG 10 3HG ARG 10 5.555 8.493 -13.692 96 HD2 ARG 10 2HD ARG 10 3.958 7.504 -15.788 97 HD3 ARG 10 3HD ARG 10 4.719 6.103 -15.034 98 HE ARG 10 HE ARG 10 3.659 7.856 -13.073 99 HH11 ARG 10 1HH1 ARG 10 2.731 5.473 -15.436 100 HH12 ARG 10 2HH1 ARG 10 1.293 5.004 -14.590 101 HH21 ARG 10 1HH2 ARG 10 1.769 7.247 -11.950 102 HH22 ARG 10 2HH2 ARG 10 0.747 6.015 -12.608 Start of MODEL 14 1 H1 LEU 1 H LEU 1 1.880 -0.265 1.121 2 HA LEU 1 HA LEU 1 2.115 1.288 -1.365 3 HB2 LEU 1 2HB LEU 1 4.195 1.225 0.168 4 HB3 LEU 1 3HB LEU 1 4.347 -0.445 -0.372 5 HG LEU 1 HG LEU 1 4.063 1.484 -2.555 6 HD11 LEU 1 1HD1 LEU 1 6.010 2.677 -2.324 7 HD12 LEU 1 2HD1 LEU 1 6.716 1.520 -1.196 8 HD13 LEU 1 3HD1 LEU 1 5.450 2.621 -0.652 9 HD21 LEU 1 3HD2 LEU 1 6.460 -0.046 -2.609 10 HD22 LEU 1 1HD2 LEU 1 5.009 -0.230 -3.595 11 HD23 LEU 1 2HD2 LEU 1 5.145 -1.086 -2.060 12 H TYR 2 H TYR 2 2.931 -0.169 -3.197 13 HA TYR 2 HA TYR 2 1.685 -2.829 -2.956 14 HB2 TYR 2 2HB TYR 2 1.532 -2.186 -5.643 15 HB3 TYR 2 3HB TYR 2 0.207 -2.117 -4.487 16 HD1 TYR 2 HD1 TYR 2 3.131 0.035 -5.408 17 HD2 TYR 2 HD2 TYR 2 -1.034 -0.184 -4.566 18 HE1 TYR 2 HE1 TYR 2 2.932 2.456 -5.791 19 HE2 TYR 2 HE2 TYR 2 -1.245 2.236 -4.949 20 HH TYR 2 HH TYR 2 0.185 4.237 -4.909 21 H ARG 3 H ARG 3 3.174 -1.670 -5.874 22 HA ARG 3 HA ARG 3 5.802 -2.555 -5.464 23 HB2 ARG 3 2HB ARG 3 5.880 -4.715 -6.327 24 HB3 ARG 3 3HB ARG 3 4.423 -4.744 -5.343 25 HG2 ARG 3 2HG ARG 3 4.542 -4.404 -8.333 26 HG3 ARG 3 3HG ARG 3 4.055 -5.859 -7.461 27 HD2 ARG 3 2HD ARG 3 2.219 -4.523 -6.419 28 HD3 ARG 3 3HD ARG 3 2.657 -3.189 -7.486 29 HE ARG 3 HE ARG 3 1.588 -4.263 -9.196 30 HH11 ARG 3 1HH1 ARG 3 2.196 -6.543 -6.637 31 HH12 ARG 3 2HH1 ARG 3 1.280 -7.815 -7.375 32 HH21 ARG 3 1HH2 ARG 3 0.379 -5.929 -10.178 33 HH22 ARG 3 2HH2 ARG 3 0.247 -7.464 -9.390 34 H ARG 4 H ARG 4 3.766 -0.755 -6.978 35 HA ARG 4 HA ARG 4 5.145 -0.876 -9.580 36 HB2 ARG 4 2HB ARG 4 2.338 0.038 -8.938 37 HB3 ARG 4 3HB ARG 4 3.113 0.273 -10.499 38 HG2 ARG 4 2HG ARG 4 2.167 -2.249 -9.217 39 HG3 ARG 4 3HG ARG 4 1.865 -1.632 -10.843 40 HD2 ARG 4 2HD ARG 4 4.443 -1.927 -11.121 41 HD3 ARG 4 3HD ARG 4 4.271 -3.029 -9.755 42 HE ARG 4 HE ARG 4 2.349 -3.673 -11.697 43 HH11 ARG 4 1HH1 ARG 4 5.793 -3.779 -11.197 44 HH12 ARG 4 2HH1 ARG 4 6.033 -5.145 -12.235 45 HH21 ARG 4 1HH2 ARG 4 2.653 -5.472 -13.066 46 HH22 ARG 4 2HH2 ARG 4 4.246 -6.107 -13.298 47 H ARG 5 H ARG 5 5.106 0.757 -6.773 48 HA ARG 5 HA ARG 5 4.815 3.418 -7.156 49 HB2 ARG 5 2HB ARG 5 6.464 3.797 -5.462 50 HB3 ARG 5 3HB ARG 5 5.632 2.298 -5.069 51 HG2 ARG 5 2HG ARG 5 7.698 1.340 -6.513 52 HG3 ARG 5 3HG ARG 5 8.439 2.772 -5.795 53 HD2 ARG 5 2HD ARG 5 6.957 1.515 -3.756 54 HD3 ARG 5 3HD ARG 5 7.845 0.242 -4.592 55 HE ARG 5 HE ARG 5 9.414 2.565 -3.897 56 HH11 ARG 5 1HH1 ARG 5 8.296 -0.583 -2.917 57 HH12 ARG 5 2HH1 ARG 5 9.586 -0.833 -1.788 58 HH21 ARG 5 1HH2 ARG 5 11.117 2.247 -2.414 59 HH22 ARG 5 2HH2 ARG 5 11.190 0.777 -1.501 60 H PHE 6 H PHE 6 7.396 1.410 -8.429 61 HA PHE 6 HA PHE 6 9.168 3.393 -9.266 62 HB2 PHE 6 2HB PHE 6 10.316 1.615 -9.993 63 HB3 PHE 6 3HB PHE 6 8.946 0.607 -9.540 64 HD1 PHE 6 HD1 PHE 6 7.018 0.498 -11.323 65 HD2 PHE 6 HD2 PHE 6 11.049 1.571 -12.169 66 HE1 PHE 6 HE1 PHE 6 6.680 -0.106 -13.684 67 HE2 PHE 6 HE2 PHE 6 10.717 0.970 -14.531 68 HZ PHE 6 HZ PHE 6 8.530 0.131 -15.292 69 H VAL 7 H VAL 7 6.441 1.915 -10.995 70 HA VAL 7 HA VAL 7 5.904 2.442 -13.281 71 HB VAL 7 HB VAL 7 4.369 4.532 -12.940 72 HG11 VAL 7 1HG1 VAL 7 3.806 2.024 -12.990 73 HG12 VAL 7 2HG1 VAL 7 3.716 2.155 -11.232 74 HG13 VAL 7 3HG1 VAL 7 2.645 3.123 -12.246 75 HG21 VAL 7 3HG2 VAL 7 4.268 3.911 -10.095 76 HG22 VAL 7 1HG2 VAL 7 5.777 4.681 -10.584 77 HG23 VAL 7 2HG2 VAL 7 4.235 5.472 -10.915 78 H VAL 8 H VAL 8 8.534 3.289 -13.084 79 HA VAL 8 HA VAL 8 8.986 6.018 -13.493 80 HB VAL 8 HB VAL 8 11.129 5.450 -14.323 81 HG11 VAL 8 1HG1 VAL 8 10.082 3.548 -12.262 82 HG12 VAL 8 2HG1 VAL 8 11.766 3.468 -12.786 83 HG13 VAL 8 3HG1 VAL 8 11.137 4.947 -12.058 84 HG21 VAL 8 3HG2 VAL 8 11.431 2.827 -14.783 85 HG22 VAL 8 1HG2 VAL 8 9.752 3.019 -15.287 86 HG23 VAL 8 2HG2 VAL 8 11.017 3.984 -16.048 87 H GLY 9 H GLY 9 6.824 4.499 -15.151 88 HA2 GLY 9 2HA GLY 9 7.677 5.210 -17.853 89 HA3 GLY 9 3HA GLY 9 6.214 4.339 -17.421 90 H ARG 10 H ARG 10 7.275 7.371 -15.981 91 HA ARG 10 HA ARG 10 4.810 8.614 -16.976 92 HB2 ARG 10 2HB ARG 10 6.546 9.898 -14.911 93 HB3 ARG 10 3HB ARG 10 4.800 9.968 -15.103 94 HG2 ARG 10 2HG ARG 10 6.345 7.569 -14.141 95 HG3 ARG 10 3HG ARG 10 5.479 8.711 -13.111 96 HD2 ARG 10 2HD ARG 10 4.354 6.786 -15.127 97 HD3 ARG 10 3HD ARG 10 4.032 6.869 -13.396 98 HE ARG 10 HE ARG 10 3.152 9.259 -14.282 99 HH11 ARG 10 1HH1 ARG 10 2.565 5.985 -15.312 100 HH12 ARG 10 2HH1 ARG 10 0.963 6.314 -15.883 101 HH21 ARG 10 1HH2 ARG 10 1.043 9.704 -15.030 102 HH22 ARG 10 2HH2 ARG 10 0.098 8.429 -15.723 Start of MODEL 15 1 H1 LEU 1 H LEU 1 1.530 0.243 0.901 2 HA LEU 1 HA LEU 1 1.461 1.314 -1.789 3 HB2 LEU 1 2HB LEU 1 3.429 1.366 -0.119 4 HB3 LEU 1 3HB LEU 1 3.703 -0.300 -0.626 5 HG LEU 1 HG LEU 1 3.479 1.598 -2.846 6 HD11 LEU 1 1HD1 LEU 1 5.882 1.786 -1.041 7 HD12 LEU 1 2HD1 LEU 1 4.592 2.987 -1.096 8 HD13 LEU 1 3HD1 LEU 1 5.578 2.686 -2.527 9 HD21 LEU 1 3HD2 LEU 1 4.559 -0.089 -3.797 10 HD22 LEU 1 1HD2 LEU 1 4.656 -0.913 -2.240 11 HD23 LEU 1 2HD2 LEU 1 5.941 0.189 -2.735 12 H TYR 2 H TYR 2 2.475 -0.099 -3.554 13 HA TYR 2 HA TYR 2 1.357 -2.821 -3.389 14 HB2 TYR 2 2HB TYR 2 1.338 -2.208 -6.078 15 HB3 TYR 2 3HB TYR 2 -0.058 -2.166 -5.007 16 HD1 TYR 2 HD2 TYR 2 2.851 0.083 -5.718 17 HD2 TYR 2 HD1 TYR 2 -1.363 -0.292 -5.268 18 HE1 TYR 2 HE2 TYR 2 2.596 2.490 -6.156 19 HE2 TYR 2 HE1 TYR 2 -1.630 2.113 -5.706 20 HH TYR 2 HH TYR 2 1.081 4.266 -5.855 21 H ARG 3 H ARG 3 2.957 -1.616 -6.221 22 HA ARG 3 HA ARG 3 5.604 -2.320 -5.644 23 HB2 ARG 3 2HB ARG 3 5.851 -4.480 -6.626 24 HB3 ARG 3 3HB ARG 3 4.544 -4.593 -5.455 25 HG2 ARG 3 2HG ARG 3 3.492 -3.903 -8.031 26 HG3 ARG 3 3HG ARG 3 4.503 -5.344 -8.149 27 HD2 ARG 3 2HD ARG 3 2.190 -4.921 -6.260 28 HD3 ARG 3 3HD ARG 3 2.202 -5.961 -7.684 29 HE ARG 3 HE ARG 3 3.240 -6.580 -5.097 30 HH11 ARG 3 1HH1 ARG 3 3.640 -7.173 -8.505 31 HH12 ARG 3 2HH1 ARG 3 4.385 -8.721 -8.281 32 HH21 ARG 3 1HH2 ARG 3 4.219 -8.617 -4.790 33 HH22 ARG 3 2HH2 ARG 3 4.713 -9.542 -6.167 34 H ARG 4 H ARG 4 3.670 -0.594 -7.255 35 HA ARG 4 HA ARG 4 5.124 -0.760 -9.814 36 HB2 ARG 4 2HB ARG 4 2.282 0.137 -9.308 37 HB3 ARG 4 3HB ARG 4 3.115 0.304 -10.847 38 HG2 ARG 4 2HG ARG 4 2.166 -2.174 -9.474 39 HG3 ARG 4 3HG ARG 4 1.865 -1.623 -11.123 40 HD2 ARG 4 2HD ARG 4 4.508 -1.868 -11.268 41 HD3 ARG 4 3HD ARG 4 4.211 -3.040 -9.984 42 HE ARG 4 HE ARG 4 3.685 -3.391 -12.742 43 HH11 ARG 4 1HH1 ARG 4 2.385 -4.104 -9.591 44 HH12 ARG 4 2HH1 ARG 4 1.554 -5.531 -10.114 45 HH21 ARG 4 1HH2 ARG 4 2.595 -5.268 -13.441 46 HH22 ARG 4 2HH2 ARG 4 1.675 -6.193 -12.304 47 H ARG 5 H ARG 5 4.888 0.946 -7.040 48 HA ARG 5 HA ARG 5 4.584 3.589 -7.524 49 HB2 ARG 5 2HB ARG 5 6.130 4.046 -5.744 50 HB3 ARG 5 3HB ARG 5 5.263 2.567 -5.351 51 HG2 ARG 5 2HG ARG 5 7.433 1.569 -6.632 52 HG3 ARG 5 3HG ARG 5 8.114 3.005 -5.864 53 HD2 ARG 5 2HD ARG 5 7.122 2.242 -3.711 54 HD3 ARG 5 3HD ARG 5 6.628 0.754 -4.519 55 HE ARG 5 HE ARG 5 9.263 0.813 -5.015 56 HH11 ARG 5 1HH1 ARG 5 7.435 1.247 -2.084 57 HH12 ARG 5 2HH1 ARG 5 8.681 0.616 -1.059 58 HH21 ARG 5 1HH2 ARG 5 10.911 -0.020 -3.676 59 HH22 ARG 5 2HH2 ARG 5 10.658 -0.104 -1.966 60 H PHE 6 H PHE 6 7.270 1.586 -8.562 61 HA PHE 6 HA PHE 6 9.069 3.571 -9.337 62 HB2 PHE 6 2HB PHE 6 10.287 1.792 -9.933 63 HB3 PHE 6 3HB PHE 6 8.905 0.775 -9.540 64 HD1 PHE 6 HD2 PHE 6 7.102 0.584 -11.443 65 HD2 PHE 6 HD1 PHE 6 11.165 1.696 -12.052 66 HE1 PHE 6 HE2 PHE 6 6.930 -0.095 -13.802 67 HE2 PHE 6 HE1 PHE 6 11.000 1.020 -14.412 68 HZ PHE 6 HZ PHE 6 8.881 0.122 -15.290 69 H VAL 7 H VAL 7 6.484 2.001 -11.199 70 HA VAL 7 HA VAL 7 6.096 2.452 -13.530 71 HB VAL 7 HB VAL 7 4.513 4.528 -13.356 72 HG11 VAL 7 1HG1 VAL 7 3.989 2.011 -13.368 73 HG12 VAL 7 2HG1 VAL 7 3.778 2.192 -11.625 74 HG13 VAL 7 3HG1 VAL 7 2.766 3.114 -12.738 75 HG21 VAL 7 3HG2 VAL 7 4.229 3.988 -10.507 76 HG22 VAL 7 1HG2 VAL 7 5.757 4.767 -10.917 77 HG23 VAL 7 2HG2 VAL 7 4.230 5.524 -11.374 78 H VAL 8 H VAL 8 8.694 3.345 -13.184 79 HA VAL 8 HA VAL 8 9.136 6.069 -13.645 80 HB VAL 8 HB VAL 8 11.338 5.509 -14.311 81 HG11 VAL 8 1HG1 VAL 8 10.181 3.653 -12.268 82 HG12 VAL 8 2HG1 VAL 8 11.897 3.585 -12.675 83 HG13 VAL 8 3HG1 VAL 8 11.198 5.074 -12.036 84 HG21 VAL 8 3HG2 VAL 8 11.704 2.877 -14.668 85 HG22 VAL 8 1HG2 VAL 8 10.062 3.031 -15.293 86 HG23 VAL 8 2HG2 VAL 8 11.365 3.991 -15.993 87 H GLY 9 H GLY 9 7.111 4.468 -15.396 88 HA2 GLY 9 2HA GLY 9 8.135 5.107 -18.057 89 HA3 GLY 9 3HA GLY 9 6.654 4.234 -17.695 90 H ARG 10 H ARG 10 7.586 7.319 -16.283 91 HA ARG 10 HA ARG 10 5.171 8.499 -17.452 92 HB2 ARG 10 2HB ARG 10 6.830 9.855 -15.361 93 HB3 ARG 10 3HB ARG 10 5.101 9.972 -15.657 94 HG2 ARG 10 2HG ARG 10 6.496 7.554 -14.528 95 HG3 ARG 10 3HG ARG 10 5.647 8.776 -13.578 96 HD2 ARG 10 2HD ARG 10 3.861 7.990 -15.587 97 HD3 ARG 10 3HD ARG 10 4.596 6.502 -14.992 98 HE ARG 10 HE ARG 10 3.506 6.794 -12.992 99 HH11 ARG 10 1HH1 ARG 10 3.309 9.722 -14.866 100 HH12 ARG 10 2HH1 ARG 10 2.161 10.476 -13.809 101 HH21 ARG 10 1HH2 ARG 10 1.995 7.776 -11.593 102 HH22 ARG 10 2HH2 ARG 10 1.415 9.368 -11.947 Start of MODEL 16 1 H1 LEU 1 H LEU 1 1.658 0.100 0.988 2 HA LEU 1 HA LEU 1 1.673 1.414 -1.637 3 HB2 LEU 1 2HB LEU 1 3.670 1.433 -0.002 4 HB3 LEU 1 3HB LEU 1 3.913 -0.233 -0.520 5 HG LEU 1 HG LEU 1 3.675 1.677 -2.728 6 HD11 LEU 1 1HD1 LEU 1 5.794 2.735 -2.441 7 HD12 LEU 1 2HD1 LEU 1 6.112 1.824 -0.965 8 HD13 LEU 1 3HD1 LEU 1 4.837 3.042 -0.992 9 HD21 LEU 1 3HD2 LEU 1 4.715 -0.021 -3.704 10 HD22 LEU 1 1HD2 LEU 1 4.830 -0.852 -2.153 11 HD23 LEU 1 2HD2 LEU 1 6.120 0.235 -2.668 12 H TYR 2 H TYR 2 2.636 -0.003 -3.426 13 HA TYR 2 HA TYR 2 1.487 -2.712 -3.252 14 HB2 TYR 2 2HB TYR 2 1.428 -2.087 -5.938 15 HB3 TYR 2 3HB TYR 2 0.052 -2.033 -4.842 16 HD1 TYR 2 HD1 TYR 2 2.975 0.184 -5.597 17 HD2 TYR 2 HD2 TYR 2 -1.234 -0.141 -5.065 18 HE1 TYR 2 HE1 TYR 2 2.741 2.595 -6.020 19 HE2 TYR 2 HE2 TYR 2 -1.479 2.269 -5.488 20 HH TYR 2 HH TYR 2 1.048 4.415 -5.412 21 H ARG 3 H ARG 3 3.051 -1.515 -6.107 22 HA ARG 3 HA ARG 3 5.699 -2.254 -5.581 23 HB2 ARG 3 2HB ARG 3 5.901 -4.413 -6.581 24 HB3 ARG 3 3HB ARG 3 4.620 -4.515 -5.380 25 HG2 ARG 3 2HG ARG 3 3.524 -3.802 -7.935 26 HG3 ARG 3 3HG ARG 3 4.506 -5.263 -8.069 27 HD2 ARG 3 2HD ARG 3 3.218 -5.988 -5.922 28 HD3 ARG 3 3HD ARG 3 2.054 -4.765 -6.434 29 HE ARG 3 HE ARG 3 1.386 -6.159 -8.122 30 HH11 ARG 3 1HH1 ARG 3 4.433 -7.274 -6.860 31 HH12 ARG 3 2HH1 ARG 3 4.418 -8.749 -7.768 32 HH21 ARG 3 1HH2 ARG 3 1.354 -8.098 -9.323 33 HH22 ARG 3 2HH2 ARG 3 2.667 -9.216 -9.170 34 H ARG 4 H ARG 4 3.757 -0.498 -7.151 35 HA ARG 4 HA ARG 4 5.162 -0.672 -9.736 36 HB2 ARG 4 2HB ARG 4 2.341 0.258 -9.175 37 HB3 ARG 4 3HB ARG 4 3.148 0.420 -10.729 38 HG2 ARG 4 2HG ARG 4 2.194 -2.051 -9.348 39 HG3 ARG 4 3HG ARG 4 1.869 -1.489 -10.989 40 HD2 ARG 4 2HD ARG 4 4.506 -1.767 -11.183 41 HD3 ARG 4 3HD ARG 4 4.218 -2.939 -9.898 42 HE ARG 4 HE ARG 4 3.637 -3.274 -12.647 43 HH11 ARG 4 1HH1 ARG 4 2.387 -3.982 -9.476 44 HH12 ARG 4 2HH1 ARG 4 1.529 -5.397 -9.987 45 HH21 ARG 4 1HH2 ARG 4 2.512 -5.135 -13.333 46 HH22 ARG 4 2HH2 ARG 4 1.601 -6.053 -12.181 47 H ARG 5 H ARG 5 4.997 1.026 -6.953 48 HA ARG 5 HA ARG 5 4.718 3.675 -7.423 49 HB2 ARG 5 2HB ARG 5 6.299 4.106 -5.667 50 HB3 ARG 5 3HB ARG 5 5.422 2.636 -5.264 51 HG2 ARG 5 2HG ARG 5 7.558 1.619 -6.588 52 HG3 ARG 5 3HG ARG 5 8.268 3.043 -5.825 53 HD2 ARG 5 2HD ARG 5 7.309 2.282 -3.659 54 HD3 ARG 5 3HD ARG 5 6.774 0.806 -4.463 55 HE ARG 5 HE ARG 5 9.399 0.824 -5.011 56 HH11 ARG 5 1HH1 ARG 5 7.637 1.275 -2.042 57 HH12 ARG 5 2HH1 ARG 5 8.893 0.618 -1.045 58 HH21 ARG 5 1HH2 ARG 5 11.059 -0.043 -3.708 59 HH22 ARG 5 2HH2 ARG 5 10.839 -0.130 -1.994 60 H PHE 6 H PHE 6 7.360 1.642 -8.514 61 HA PHE 6 HA PHE 6 9.169 3.608 -9.314 62 HB2 PHE 6 2HB PHE 6 10.354 1.815 -9.936 63 HB3 PHE 6 3HB PHE 6 8.965 0.815 -9.524 64 HD1 PHE 6 HD1 PHE 6 7.128 0.653 -11.396 65 HD2 PHE 6 HD2 PHE 6 11.194 1.715 -12.071 66 HE1 PHE 6 HE1 PHE 6 6.907 -0.014 -13.753 67 HE2 PHE 6 HE2 PHE 6 10.979 1.051 -14.430 68 HZ PHE 6 HZ PHE 6 8.833 0.185 -15.275 69 H VAL 7 H VAL 7 6.533 2.077 -11.136 70 HA VAL 7 HA VAL 7 6.110 2.542 -13.458 71 HB VAL 7 HB VAL 7 4.556 4.637 -13.249 72 HG11 VAL 7 1HG1 VAL 7 4.001 2.127 -13.261 73 HG12 VAL 7 2HG1 VAL 7 3.822 2.304 -11.514 74 HG13 VAL 7 3HG1 VAL 7 2.802 3.242 -12.606 75 HG21 VAL 7 3HG2 VAL 7 4.315 4.089 -10.397 76 HG22 VAL 7 1HG2 VAL 7 5.845 4.851 -10.830 77 HG23 VAL 7 2HG2 VAL 7 4.321 5.628 -11.258 78 H VAL 8 H VAL 8 8.725 3.401 -13.154 79 HA VAL 8 HA VAL 8 9.192 6.120 -13.613 80 HB VAL 8 HB VAL 8 11.375 5.536 -14.319 81 HG11 VAL 8 1HG1 VAL 8 10.230 3.686 -12.263 82 HG12 VAL 8 2HG1 VAL 8 11.938 3.598 -12.700 83 HG13 VAL 8 3HG1 VAL 8 11.270 5.093 -12.044 84 HG21 VAL 8 3HG2 VAL 8 11.706 2.904 -14.695 85 HG22 VAL 8 1HG2 VAL 8 10.052 3.075 -15.284 86 HG23 VAL 8 2HG2 VAL 8 11.349 4.025 -16.009 87 H GLY 9 H GLY 9 7.118 4.553 -15.334 88 HA2 GLY 9 2HA GLY 9 8.103 5.190 -18.010 89 HA3 GLY 9 3HA GLY 9 6.618 4.332 -17.625 90 H ARG 10 H ARG 10 7.611 7.401 -16.218 91 HA ARG 10 HA ARG 10 5.189 8.613 -17.338 92 HB2 ARG 10 2HB ARG 10 6.905 9.944 -15.276 93 HB3 ARG 10 3HB ARG 10 5.171 10.081 -15.538 94 HG2 ARG 10 2HG ARG 10 6.559 7.643 -14.443 95 HG3 ARG 10 3HG ARG 10 5.746 8.873 -13.473 96 HD2 ARG 10 2HD ARG 10 3.921 8.096 -15.466 97 HD3 ARG 10 3HD ARG 10 4.637 6.610 -14.842 98 HE ARG 10 HE ARG 10 3.951 8.172 -12.651 99 HH11 ARG 10 1HH1 ARG 10 2.357 6.566 -15.297 100 HH12 ARG 10 2HH1 ARG 10 0.889 6.294 -14.418 101 HH21 ARG 10 1HH2 ARG 10 2.023 7.820 -11.484 102 HH22 ARG 10 2HH2 ARG 10 0.700 7.008 -12.250 Start of MODEL 17 1 H1 LEU 1 H LEU 1 0.720 0.477 -0.364 2 HA LEU 1 HA LEU 1 1.269 1.563 -3.039 3 HB2 LEU 1 2HB LEU 1 3.104 1.946 -1.269 4 HB3 LEU 1 3HB LEU 1 3.401 0.215 -1.419 5 HG LEU 1 HG LEU 1 3.367 1.638 -3.977 6 HD11 LEU 1 1HD1 LEU 1 4.365 3.312 -2.347 7 HD12 LEU 1 2HD1 LEU 1 5.356 2.863 -3.735 8 HD13 LEU 1 3HD1 LEU 1 5.691 2.166 -2.150 9 HD21 LEU 1 3HD2 LEU 1 4.503 -0.682 -2.777 10 HD22 LEU 1 1HD2 LEU 1 5.803 0.312 -3.435 11 HD23 LEU 1 2HD2 LEU 1 4.480 -0.213 -4.477 12 H TYR 2 H TYR 2 2.424 -0.156 -4.413 13 HA TYR 2 HA TYR 2 1.261 -2.801 -3.833 14 HB2 TYR 2 2HB TYR 2 1.445 -2.759 -6.562 15 HB3 TYR 2 3HB TYR 2 -0.019 -2.412 -5.649 16 HD1 TYR 2 HD2 TYR 2 3.061 -0.408 -6.338 17 HD2 TYR 2 HD1 TYR 2 -1.170 -0.697 -6.679 18 HE1 TYR 2 HE2 TYR 2 2.992 1.848 -7.317 19 HE2 TYR 2 HE1 TYR 2 -1.251 1.558 -7.659 20 HH TYR 2 HH TYR 2 0.493 3.047 -8.995 21 H ARG 3 H ARG 3 3.073 -2.231 -6.716 22 HA ARG 3 HA ARG 3 5.620 -3.000 -5.632 23 HB2 ARG 3 2HB ARG 3 3.907 -4.977 -7.104 24 HB3 ARG 3 3HB ARG 3 5.660 -5.065 -7.213 25 HG2 ARG 3 2HG ARG 3 5.529 -6.360 -5.407 26 HG3 ARG 3 3HG ARG 3 5.259 -4.860 -4.517 27 HD2 ARG 3 2HD ARG 3 2.770 -5.235 -5.132 28 HD3 ARG 3 3HD ARG 3 3.270 -6.897 -5.443 29 HE ARG 3 HE ARG 3 4.083 -5.882 -2.874 30 HH11 ARG 3 1HH1 ARG 3 1.567 -7.476 -4.675 31 HH12 ARG 3 2HH1 ARG 3 0.865 -8.227 -3.281 32 HH21 ARG 3 1HH2 ARG 3 3.168 -6.865 -1.030 33 HH22 ARG 3 2HH2 ARG 3 1.775 -7.878 -1.208 34 H ARG 4 H ARG 4 3.868 -1.312 -7.716 35 HA ARG 4 HA ARG 4 5.971 -1.305 -9.781 36 HB2 ARG 4 2HB ARG 4 2.994 -0.982 -10.021 37 HB3 ARG 4 3HB ARG 4 4.072 -0.310 -11.238 38 HG2 ARG 4 2HG ARG 4 4.340 -2.289 -12.201 39 HG3 ARG 4 3HG ARG 4 4.742 -3.055 -10.663 40 HD2 ARG 4 2HD ARG 4 2.825 -4.185 -11.293 41 HD3 ARG 4 3HD ARG 4 2.192 -2.936 -10.222 42 HE ARG 4 HE ARG 4 1.113 -1.991 -12.011 43 HH11 ARG 4 1HH1 ARG 4 3.463 -4.288 -13.161 44 HH12 ARG 4 2HH1 ARG 4 2.917 -4.221 -14.804 45 HH21 ARG 4 1HH2 ARG 4 0.385 -1.894 -14.170 46 HH22 ARG 4 2HH2 ARG 4 1.167 -2.858 -15.377 47 H ARG 5 H ARG 5 5.484 0.259 -7.204 48 HA ARG 5 HA ARG 5 4.713 2.831 -7.486 49 HB2 ARG 5 2HB ARG 5 6.331 3.453 -5.802 50 HB3 ARG 5 3HB ARG 5 5.698 1.856 -5.429 51 HG2 ARG 5 2HG ARG 5 7.891 1.240 -6.919 52 HG3 ARG 5 3HG ARG 5 8.419 2.699 -6.078 53 HD2 ARG 5 2HD ARG 5 7.249 0.241 -4.778 54 HD3 ARG 5 3HD ARG 5 8.960 0.664 -4.819 55 HE ARG 5 HE ARG 5 7.303 2.709 -3.672 56 HH11 ARG 5 1HH1 ARG 5 9.052 -0.235 -3.046 57 HH12 ARG 5 2HH1 ARG 5 9.250 0.088 -1.355 58 HH21 ARG 5 1HH2 ARG 5 7.558 3.147 -1.448 59 HH22 ARG 5 2HH2 ARG 5 8.399 2.012 -0.447 60 H PHE 6 H PHE 6 7.644 1.399 -8.795 61 HA PHE 6 HA PHE 6 9.001 3.704 -9.563 62 HB2 PHE 6 2HB PHE 6 10.460 2.203 -10.355 63 HB3 PHE 6 3HB PHE 6 9.309 0.939 -9.935 64 HD1 PHE 6 HD1 PHE 6 7.417 0.542 -11.724 65 HD2 PHE 6 HD2 PHE 6 11.183 2.355 -12.528 66 HE1 PHE 6 HE1 PHE 6 7.183 -0.036 -14.104 67 HE2 PHE 6 HE2 PHE 6 10.955 1.780 -14.909 68 HZ PHE 6 HZ PHE 6 8.953 0.584 -15.700 69 H VAL 7 H VAL 7 6.587 1.811 -11.351 70 HA VAL 7 HA VAL 7 5.953 2.308 -13.618 71 HB VAL 7 HB VAL 7 4.064 4.069 -13.212 72 HG11 VAL 7 1HG1 VAL 7 4.060 1.445 -13.252 73 HG12 VAL 7 2HG1 VAL 7 3.758 1.633 -11.523 74 HG13 VAL 7 3HG1 VAL 7 2.646 2.340 -12.696 75 HG21 VAL 7 3HG2 VAL 7 4.109 3.354 -10.383 76 HG22 VAL 7 1HG2 VAL 7 5.431 4.419 -10.860 77 HG23 VAL 7 2HG2 VAL 7 3.760 4.900 -11.156 78 H VAL 8 H VAL 8 8.386 3.612 -13.386 79 HA VAL 8 HA VAL 8 8.332 6.391 -13.705 80 HB VAL 8 HB VAL 8 10.541 6.250 -14.545 81 HG11 VAL 8 1HG1 VAL 8 9.865 4.121 -12.552 82 HG12 VAL 8 2HG1 VAL 8 11.533 4.371 -13.070 83 HG13 VAL 8 3HG1 VAL 8 10.643 5.683 -12.296 84 HG21 VAL 8 3HG2 VAL 8 11.313 3.739 -15.087 85 HG22 VAL 8 1HG2 VAL 8 9.626 3.644 -15.596 86 HG23 VAL 8 2HG2 VAL 8 10.698 4.845 -16.315 87 H GLY 9 H GLY 9 6.481 4.554 -15.419 88 HA2 GLY 9 2HA GLY 9 7.156 5.642 -18.065 89 HA3 GLY 9 3HA GLY 9 6.037 4.322 -17.754 90 H ARG 10 H ARG 10 6.150 7.468 -16.144 91 HA ARG 10 HA ARG 10 3.354 7.877 -16.873 92 HB2 ARG 10 2HB ARG 10 4.904 9.738 -15.112 93 HB3 ARG 10 3HB ARG 10 3.193 9.333 -15.069 94 HG2 ARG 10 2HG ARG 10 3.698 8.021 -13.349 95 HG3 ARG 10 3HG ARG 10 4.414 6.928 -14.536 96 HD2 ARG 10 2HD ARG 10 6.529 7.465 -13.951 97 HD3 ARG 10 3HD ARG 10 6.126 9.154 -13.646 98 HE ARG 10 HE ARG 10 5.033 7.392 -11.678 99 HH11 ARG 10 1HH1 ARG 10 7.905 9.096 -12.660 100 HH12 ARG 10 2HH1 ARG 10 8.569 9.166 -11.061 101 HH21 ARG 10 1HH2 ARG 10 5.895 7.477 -9.568 102 HH22 ARG 10 2HH2 ARG 10 7.425 8.243 -9.303 Start of MODEL 18 1 H1 LEU 1 H LEU 1 1.901 1.147 0.064 2 HA LEU 1 HA LEU 1 0.736 1.560 -2.483 3 HB2 LEU 1 2HB LEU 1 2.900 1.639 -3.316 4 HB3 LEU 1 3HB LEU 1 3.075 2.189 -1.651 5 HG LEU 1 HG LEU 1 3.489 -0.622 -1.692 6 HD11 LEU 1 1HD1 LEU 1 5.602 -0.517 -3.135 7 HD12 LEU 1 2HD1 LEU 1 4.855 0.890 -3.890 8 HD13 LEU 1 3HD1 LEU 1 4.049 -0.677 -3.955 9 HD21 LEU 1 3HD2 LEU 1 5.552 1.551 -1.411 10 HD22 LEU 1 1HD2 LEU 1 5.555 -0.056 -0.684 11 HD23 LEU 1 2HD2 LEU 1 4.390 1.154 -0.144 12 H TYR 2 H TYR 2 2.107 -0.067 -4.223 13 HA TYR 2 HA TYR 2 1.052 -2.749 -3.606 14 HB2 TYR 2 2HB TYR 2 0.999 -2.640 -6.341 15 HB3 TYR 2 3HB TYR 2 -0.388 -2.352 -5.295 16 HD1 TYR 2 HD2 TYR 2 2.575 -0.266 -6.223 17 HD2 TYR 2 HD1 TYR 2 -1.663 -0.631 -6.151 18 HE1 TYR 2 HE2 TYR 2 2.370 2.009 -7.132 19 HE2 TYR 2 HE1 TYR 2 -1.880 1.644 -7.062 20 HH TYR 2 HH TYR 2 0.968 3.675 -7.629 21 H ARG 3 H ARG 3 2.590 -2.087 -6.623 22 HA ARG 3 HA ARG 3 5.243 -2.795 -5.796 23 HB2 ARG 3 2HB ARG 3 3.449 -4.830 -7.078 24 HB3 ARG 3 3HB ARG 3 5.182 -4.866 -7.376 25 HG2 ARG 3 2HG ARG 3 5.295 -6.147 -5.560 26 HG3 ARG 3 3HG ARG 3 5.055 -4.655 -4.648 27 HD2 ARG 3 2HD ARG 3 2.536 -5.131 -5.000 28 HD3 ARG 3 3HD ARG 3 3.064 -6.772 -5.373 29 HE ARG 3 HE ARG 3 2.951 -5.543 -2.793 30 HH11 ARG 3 1HH1 ARG 3 4.599 -7.932 -4.715 31 HH12 ARG 3 2HH1 ARG 3 5.091 -8.881 -3.351 32 HH21 ARG 3 1HH2 ARG 3 3.592 -6.783 -0.989 33 HH22 ARG 3 2HH2 ARG 3 4.517 -8.227 -1.232 34 H ARG 4 H ARG 4 3.279 -1.134 -7.677 35 HA ARG 4 HA ARG 4 5.086 -1.169 -10.005 36 HB2 ARG 4 2HB ARG 4 2.182 -0.338 -9.867 37 HB3 ARG 4 3HB ARG 4 3.198 -0.228 -11.298 38 HG2 ARG 4 2HG ARG 4 2.192 -2.688 -9.910 39 HG3 ARG 4 3HG ARG 4 1.926 -2.175 -11.578 40 HD2 ARG 4 2HD ARG 4 4.573 -3.015 -10.398 41 HD3 ARG 4 3HD ARG 4 3.543 -4.018 -11.419 42 HE ARG 4 HE ARG 4 5.276 -1.880 -12.265 43 HH11 ARG 4 1HH1 ARG 4 2.495 -3.817 -13.059 44 HH12 ARG 4 2HH1 ARG 4 2.638 -3.556 -14.766 45 HH21 ARG 4 1HH2 ARG 4 5.475 -1.528 -14.510 46 HH22 ARG 4 2HH2 ARG 4 4.334 -2.254 -15.590 47 H ARG 5 H ARG 5 4.698 0.440 -7.278 48 HA ARG 5 HA ARG 5 4.231 3.074 -7.641 49 HB2 ARG 5 2HB ARG 5 5.739 3.549 -5.849 50 HB3 ARG 5 3HB ARG 5 5.028 1.972 -5.530 51 HG2 ARG 5 2HG ARG 5 7.232 1.212 -6.856 52 HG3 ARG 5 3HG ARG 5 7.815 2.711 -6.129 53 HD2 ARG 5 2HD ARG 5 6.726 1.746 -3.963 54 HD3 ARG 5 3HD ARG 5 6.856 0.207 -4.812 55 HE ARG 5 HE ARG 5 9.341 1.322 -5.020 56 HH11 ARG 5 1HH1 ARG 5 7.211 0.507 -2.390 57 HH12 ARG 5 2HH1 ARG 5 8.497 0.195 -1.272 58 HH21 ARG 5 1HH2 ARG 5 11.044 0.914 -3.558 59 HH22 ARG 5 2HH2 ARG 5 10.677 0.427 -1.937 60 H PHE 6 H PHE 6 7.044 1.302 -8.774 61 HA PHE 6 HA PHE 6 8.687 3.432 -9.496 62 HB2 PHE 6 2HB PHE 6 10.014 1.759 -10.160 63 HB3 PHE 6 3HB PHE 6 8.701 0.638 -9.818 64 HD1 PHE 6 HD2 PHE 6 6.918 0.403 -11.727 65 HD2 PHE 6 HD1 PHE 6 10.886 1.838 -12.284 66 HE1 PHE 6 HE2 PHE 6 6.787 -0.173 -14.115 67 HE2 PHE 6 HE1 PHE 6 10.761 1.265 -14.674 68 HZ PHE 6 HZ PHE 6 8.710 0.257 -15.592 69 H VAL 7 H VAL 7 6.202 1.754 -11.401 70 HA VAL 7 HA VAL 7 5.759 2.273 -13.709 71 HB VAL 7 HB VAL 7 4.025 4.211 -13.438 72 HG11 VAL 7 1HG1 VAL 7 3.680 1.675 -13.558 73 HG12 VAL 7 2HG1 VAL 7 3.505 1.749 -11.803 74 HG13 VAL 7 3HG1 VAL 7 2.394 2.646 -12.840 75 HG21 VAL 7 3HG2 VAL 7 3.808 3.543 -10.611 76 HG22 VAL 7 1HG2 VAL 7 5.273 4.446 -10.998 77 HG23 VAL 7 2HG2 VAL 7 3.693 5.108 -11.416 78 H VAL 8 H VAL 8 8.286 3.345 -13.340 79 HA VAL 8 HA VAL 8 8.514 6.112 -13.690 80 HB VAL 8 HB VAL 8 10.748 5.753 -14.380 81 HG11 VAL 8 1HG1 VAL 8 9.747 3.726 -12.419 82 HG12 VAL 8 2HG1 VAL 8 11.461 3.804 -12.834 83 HG13 VAL 8 3HG1 VAL 8 10.658 5.207 -12.128 84 HG21 VAL 8 3HG2 VAL 8 11.314 3.175 -14.856 85 HG22 VAL 8 1HG2 VAL 8 9.662 3.230 -15.471 86 HG23 VAL 8 2HG2 VAL 8 10.884 4.318 -16.128 87 H GLY 9 H GLY 9 6.593 4.457 -15.489 88 HA2 GLY 9 2HA GLY 9 7.537 5.419 -18.102 89 HA3 GLY 9 3HA GLY 9 6.278 4.220 -17.848 90 H ARG 10 H ARG 10 6.610 7.375 -16.283 91 HA ARG 10 HA ARG 10 3.919 8.043 -17.207 92 HB2 ARG 10 2HB ARG 10 5.485 9.771 -15.334 93 HB3 ARG 10 3HB ARG 10 3.751 9.490 -15.406 94 HG2 ARG 10 2HG ARG 10 4.084 8.193 -13.623 95 HG3 ARG 10 3HG ARG 10 4.694 7.009 -14.782 96 HD2 ARG 10 2HD ARG 10 6.234 7.332 -12.899 97 HD3 ARG 10 3HD ARG 10 6.961 7.802 -14.435 98 HE ARG 10 HE ARG 10 7.156 9.928 -13.632 99 HH11 ARG 10 1HH1 ARG 10 4.784 8.230 -11.731 100 HH12 ARG 10 2HH1 ARG 10 4.590 9.517 -10.587 101 HH21 ARG 10 1HH2 ARG 10 6.908 11.629 -12.133 102 HH22 ARG 10 2HH2 ARG 10 5.798 11.450 -10.817 Start of MODEL 19 1 H1 LEU 1 H LEU 1 3.813 -0.551 0.984 2 HA LEU 1 HA LEU 1 2.567 0.579 -1.353 3 HB2 LEU 1 2HB LEU 1 5.202 0.236 -0.383 4 HB3 LEU 1 3HB LEU 1 5.104 -0.593 -1.935 5 HG LEU 1 HG LEU 1 5.897 1.599 -2.361 6 HD11 LEU 1 1HD1 LEU 1 4.045 2.576 -3.710 7 HD12 LEU 1 2HD1 LEU 1 2.965 1.370 -3.011 8 HD13 LEU 1 3HD1 LEU 1 4.329 0.861 -4.007 9 HD21 LEU 1 3HD2 LEU 1 3.610 2.521 -0.633 10 HD22 LEU 1 1HD2 LEU 1 4.539 3.599 -1.675 11 HD23 LEU 1 2HD2 LEU 1 5.338 2.744 -0.355 12 H TYR 2 H TYR 2 3.562 -0.725 -3.476 13 HA TYR 2 HA TYR 2 2.510 -3.467 -3.241 14 HB2 TYR 2 2HB TYR 2 2.101 -2.633 -5.892 15 HB3 TYR 2 3HB TYR 2 0.875 -2.909 -4.659 16 HD1 TYR 2 HD1 TYR 2 3.225 -0.269 -5.858 17 HD2 TYR 2 HD2 TYR 2 -0.517 -1.161 -4.040 18 HE1 TYR 2 HE1 TYR 2 2.631 2.117 -5.924 19 HE2 TYR 2 HE2 TYR 2 -1.122 1.222 -4.102 20 HH TYR 2 HH TYR 2 1.138 3.660 -5.352 21 H ARG 3 H ARG 3 3.744 -1.915 -6.136 22 HA ARG 3 HA ARG 3 6.408 -2.687 -6.031 23 HB2 ARG 3 2HB ARG 3 6.561 -4.782 -7.028 24 HB3 ARG 3 3HB ARG 3 5.189 -4.975 -5.945 25 HG2 ARG 3 2HG ARG 3 5.028 -4.417 -8.900 26 HG3 ARG 3 3HG ARG 3 4.769 -5.981 -8.124 27 HD2 ARG 3 2HD ARG 3 3.131 -3.483 -7.708 28 HD3 ARG 3 3HD ARG 3 2.646 -4.907 -8.628 29 HE ARG 3 HE ARG 3 3.329 -5.545 -5.931 30 HH11 ARG 3 1HH1 ARG 3 0.804 -4.278 -7.965 31 HH12 ARG 3 2HH1 ARG 3 -0.474 -4.749 -6.894 32 HH21 ARG 3 1HH2 ARG 3 1.655 -6.170 -4.513 33 HH22 ARG 3 2HH2 ARG 3 0.011 -5.824 -4.931 34 H ARG 4 H ARG 4 4.066 -1.016 -7.291 35 HA ARG 4 HA ARG 4 5.239 -0.869 -9.990 36 HB2 ARG 4 2HB ARG 4 2.451 -0.202 -9.040 37 HB3 ARG 4 3HB ARG 4 3.059 0.210 -10.637 38 HG2 ARG 4 2HG ARG 4 2.422 -2.471 -9.491 39 HG3 ARG 4 3HG ARG 4 1.912 -1.754 -11.020 40 HD2 ARG 4 2HD ARG 4 4.316 -1.875 -11.752 41 HD3 ARG 4 3HD ARG 4 4.632 -2.828 -10.303 42 HE ARG 4 HE ARG 4 3.607 -4.627 -11.295 43 HH11 ARG 4 1HH1 ARG 4 2.914 -1.743 -13.118 44 HH12 ARG 4 2HH1 ARG 4 2.195 -2.596 -14.443 45 HH21 ARG 4 1HH2 ARG 4 2.663 -5.762 -13.033 46 HH22 ARG 4 2HH2 ARG 4 2.051 -4.882 -14.393 47 H ARG 5 H ARG 5 5.079 0.669 -7.046 48 HA ARG 5 HA ARG 5 4.699 3.325 -7.417 49 HB2 ARG 5 2HB ARG 5 6.338 3.739 -5.663 50 HB3 ARG 5 3HB ARG 5 5.375 2.320 -5.277 51 HG2 ARG 5 2HG ARG 5 7.516 1.251 -6.619 52 HG3 ARG 5 3HG ARG 5 8.239 2.577 -5.707 53 HD2 ARG 5 2HD ARG 5 6.317 0.946 -4.202 54 HD3 ARG 5 3HD ARG 5 7.766 0.086 -4.721 55 HE ARG 5 HE ARG 5 8.343 2.610 -3.495 56 HH11 ARG 5 1HH1 ARG 5 7.637 -0.745 -2.888 57 HH12 ARG 5 2HH1 ARG 5 8.429 -0.768 -1.347 58 HH21 ARG 5 1HH2 ARG 5 9.388 2.592 -1.467 59 HH22 ARG 5 2HH2 ARG 5 9.424 1.131 -0.540 60 H PHE 6 H PHE 6 7.386 1.420 -8.600 61 HA PHE 6 HA PHE 6 9.134 3.498 -9.296 62 HB2 PHE 6 2HB PHE 6 10.416 1.782 -9.944 63 HB3 PHE 6 3HB PHE 6 9.077 0.705 -9.563 64 HD1 PHE 6 HD1 PHE 6 7.265 0.490 -11.458 65 HD2 PHE 6 HD2 PHE 6 11.281 1.759 -12.070 66 HE1 PHE 6 HE1 PHE 6 7.100 -0.144 -13.829 67 HE2 PHE 6 HE2 PHE 6 11.123 1.128 -14.443 68 HZ PHE 6 HZ PHE 6 9.030 0.175 -15.326 69 H VAL 7 H VAL 7 6.599 1.881 -11.185 70 HA VAL 7 HA VAL 7 6.183 2.373 -13.504 71 HB VAL 7 HB VAL 7 4.526 4.381 -13.280 72 HG11 VAL 7 1HG1 VAL 7 4.087 1.853 -13.332 73 HG12 VAL 7 2HG1 VAL 7 3.900 1.988 -11.583 74 HG13 VAL 7 3HG1 VAL 7 2.835 2.896 -12.657 75 HG21 VAL 7 3HG2 VAL 7 4.265 3.799 -10.442 76 HG22 VAL 7 1HG2 VAL 7 5.781 4.610 -10.835 77 HG23 VAL 7 2HG2 VAL 7 4.244 5.347 -11.286 78 H VAL 8 H VAL 8 8.751 3.347 -13.148 79 HA VAL 8 HA VAL 8 9.097 6.094 -13.546 80 HB VAL 8 HB VAL 8 11.312 5.625 -14.238 81 HG11 VAL 8 1HG1 VAL 8 10.232 3.684 -12.232 82 HG12 VAL 8 2HG1 VAL 8 11.946 3.685 -12.649 83 HG13 VAL 8 3HG1 VAL 8 11.201 5.134 -11.973 84 HG21 VAL 8 3HG2 VAL 8 11.763 3.014 -14.656 85 HG22 VAL 8 1HG2 VAL 8 10.114 3.131 -15.272 86 HG23 VAL 8 2HG2 VAL 8 11.384 4.148 -15.953 87 H GLY 9 H GLY 9 7.119 4.464 -15.326 88 HA2 GLY 9 2HA GLY 9 8.104 5.205 -17.975 89 HA3 GLY 9 3HA GLY 9 6.657 4.270 -17.627 90 H ARG 10 H ARG 10 7.487 7.352 -16.145 91 HA ARG 10 HA ARG 10 5.023 8.471 -17.269 92 HB2 ARG 10 2HB ARG 10 6.650 9.839 -15.161 93 HB3 ARG 10 3HB ARG 10 4.915 9.899 -15.440 94 HG2 ARG 10 2HG ARG 10 6.406 7.508 -14.379 95 HG3 ARG 10 3HG ARG 10 5.525 8.677 -13.393 96 HD2 ARG 10 2HD ARG 10 3.762 7.855 -15.424 97 HD3 ARG 10 3HD ARG 10 4.539 6.393 -14.819 98 HE ARG 10 HE ARG 10 3.759 7.869 -12.605 99 HH11 ARG 10 1HH1 ARG 10 2.256 6.279 -15.314 100 HH12 ARG 10 2HH1 ARG 10 0.788 5.931 -14.462 101 HH21 ARG 10 1HH2 ARG 10 1.831 7.416 -11.473 102 HH22 ARG 10 2HH2 ARG 10 0.547 6.579 -12.278 Start of MODEL 20 1 H1 LEU 1 H LEU 1 3.904 -0.976 1.064 2 HA LEU 1 HA LEU 1 1.996 -0.333 -0.998 3 HB2 LEU 1 2HB LEU 1 3.772 0.566 -2.187 4 HB3 LEU 1 3HB LEU 1 4.217 0.845 -0.505 5 HG LEU 1 HG LEU 1 5.377 -1.609 -1.169 6 HD11 LEU 1 1HD1 LEU 1 6.046 -1.601 -3.290 7 HD12 LEU 1 2HD1 LEU 1 6.556 0.084 -3.202 8 HD13 LEU 1 3HD1 LEU 1 4.875 -0.310 -3.562 9 HD21 LEU 1 3HD2 LEU 1 7.436 -0.457 -0.793 10 HD22 LEU 1 1HD2 LEU 1 6.228 0.225 0.297 11 HD23 LEU 1 2HD2 LEU 1 6.695 1.101 -1.161 12 H TYR 2 H TYR 2 3.119 -1.120 -3.323 13 HA TYR 2 HA TYR 2 3.095 -4.063 -3.165 14 HB2 TYR 2 2HB TYR 2 2.246 -3.255 -5.744 15 HB3 TYR 2 3HB TYR 2 1.306 -4.071 -4.501 16 HD1 TYR 2 HD2 TYR 2 2.384 -0.674 -5.587 17 HD2 TYR 2 HD1 TYR 2 -0.539 -3.008 -3.560 18 HE1 TYR 2 HE2 TYR 2 0.953 1.315 -5.373 19 HE2 TYR 2 HE1 TYR 2 -1.979 -1.026 -3.341 20 HH TYR 2 HH TYR 2 -1.950 1.461 -5.007 21 H ARG 3 H ARG 3 3.583 -1.992 -5.977 22 HA ARG 3 HA ARG 3 6.386 -2.041 -6.034 23 HB2 ARG 3 2HB ARG 3 6.899 -3.785 -7.565 24 HB3 ARG 3 3HB ARG 3 5.910 -4.506 -6.302 25 HG2 ARG 3 2HG ARG 3 4.761 -3.554 -8.908 26 HG3 ARG 3 3HG ARG 3 5.387 -5.188 -8.675 27 HD2 ARG 3 2HD ARG 3 3.772 -4.944 -6.515 28 HD3 ARG 3 3HD ARG 3 2.912 -3.945 -7.686 29 HE ARG 3 HE ARG 3 2.354 -5.841 -8.844 30 HH11 ARG 3 1HH1 ARG 3 4.902 -6.581 -6.590 31 HH12 ARG 3 2HH1 ARG 3 4.817 -8.291 -6.855 32 HH21 ARG 3 1HH2 ARG 3 2.232 -8.091 -9.201 33 HH22 ARG 3 2HH2 ARG 3 3.299 -9.149 -8.341 34 H ARG 4 H ARG 4 3.915 -0.495 -6.730 35 HA ARG 4 HA ARG 4 4.683 0.235 -9.480 36 HB2 ARG 4 2HB ARG 4 1.970 0.113 -8.188 37 HB3 ARG 4 3HB ARG 4 2.264 1.130 -9.591 38 HG2 ARG 4 2HG ARG 4 2.117 -0.599 -10.970 39 HG3 ARG 4 3HG ARG 4 3.270 -1.538 -10.018 40 HD2 ARG 4 2HD ARG 4 1.339 -2.819 -9.908 41 HD3 ARG 4 3HD ARG 4 1.290 -1.902 -8.404 42 HE ARG 4 HE ARG 4 -0.612 -0.877 -9.142 43 HH11 ARG 4 1HH1 ARG 4 1.017 -2.319 -11.860 44 HH12 ARG 4 2HH1 ARG 4 -0.266 -1.983 -12.974 45 HH21 ARG 4 1HH2 ARG 4 -2.308 -0.428 -10.600 46 HH22 ARG 4 2HH2 ARG 4 -2.157 -0.906 -12.257 47 H ARG 5 H ARG 5 5.976 1.313 -7.266 48 HA ARG 5 HA ARG 5 4.939 4.072 -7.253 49 HB2 ARG 5 2HB ARG 5 6.269 4.214 -5.032 50 HB3 ARG 5 3HB ARG 5 4.695 3.429 -5.032 51 HG2 ARG 5 2HG ARG 5 6.131 2.071 -3.744 52 HG3 ARG 5 3HG ARG 5 5.906 1.241 -5.284 53 HD2 ARG 5 2HD ARG 5 8.055 1.676 -5.986 54 HD3 ARG 5 3HD ARG 5 8.214 3.099 -4.958 55 HE ARG 5 HE ARG 5 8.781 0.366 -4.246 56 HH11 ARG 5 1HH1 ARG 5 8.009 3.549 -3.067 57 HH12 ARG 5 2HH1 ARG 5 8.694 3.277 -1.499 58 HH21 ARG 5 1HH2 ARG 5 9.687 -0.005 -2.186 59 HH22 ARG 5 2HH2 ARG 5 9.649 1.255 -0.999 60 H PHE 6 H PHE 6 6.699 2.994 -9.213 61 HA PHE 6 HA PHE 6 9.164 4.486 -8.596 62 HB2 PHE 6 2HB PHE 6 10.361 2.963 -10.116 63 HB3 PHE 6 3HB PHE 6 9.623 2.090 -8.777 64 HD1 PHE 6 HD1 PHE 6 6.996 1.493 -9.435 65 HD2 PHE 6 HD2 PHE 6 10.315 1.803 -12.082 66 HE1 PHE 6 HE1 PHE 6 5.858 0.006 -11.031 67 HE2 PHE 6 HE2 PHE 6 9.181 0.318 -13.682 68 HZ PHE 6 HZ PHE 6 6.950 -0.582 -13.158 69 H VAL 7 H VAL 7 9.639 3.611 -11.608 70 HA VAL 7 HA VAL 7 9.123 6.147 -12.723 71 HB VAL 7 HB VAL 7 9.712 5.126 -14.889 72 HG11 VAL 7 1HG1 VAL 7 11.342 5.601 -12.791 73 HG12 VAL 7 2HG1 VAL 7 11.719 3.907 -13.113 74 HG13 VAL 7 3HG1 VAL 7 11.909 5.112 -14.387 75 HG21 VAL 7 3HG2 VAL 7 10.411 2.518 -13.780 76 HG22 VAL 7 1HG2 VAL 7 8.674 2.820 -13.831 77 HG23 VAL 7 2HG2 VAL 7 9.632 2.928 -15.308 78 H VAL 8 H VAL 8 6.970 3.770 -11.954 79 HA VAL 8 HA VAL 8 5.255 3.593 -14.151 80 HB VAL 8 HB VAL 8 3.469 3.379 -12.188 81 HG11 VAL 8 1HG1 VAL 8 5.539 1.508 -13.208 82 HG12 VAL 8 2HG1 VAL 8 4.537 0.983 -11.854 83 HG13 VAL 8 3HG1 VAL 8 3.785 1.457 -13.378 84 HG21 VAL 8 3HG2 VAL 8 5.175 2.237 -10.362 85 HG22 VAL 8 1HG2 VAL 8 6.029 3.707 -10.832 86 HG23 VAL 8 2HG2 VAL 8 4.388 3.806 -10.193 87 H GLY 9 H GLY 9 6.251 6.371 -13.206 88 HA2 GLY 9 2HA GLY 9 3.694 7.739 -12.845 89 HA3 GLY 9 3HA GLY 9 5.288 8.469 -12.727 90 H ARG 10 H ARG 10 4.176 6.456 -15.390 91 HA ARG 10 HA ARG 10 4.521 8.767 -17.171 92 HB2 ARG 10 2HB ARG 10 4.303 5.963 -18.183 93 HB3 ARG 10 3HB ARG 10 5.194 7.324 -18.850 94 HG2 ARG 10 2HG ARG 10 5.946 5.788 -16.372 95 HG3 ARG 10 3HG ARG 10 6.680 5.601 -17.965 96 HD2 ARG 10 2HD ARG 10 6.793 7.971 -16.121 97 HD3 ARG 10 3HD ARG 10 8.130 7.006 -16.744 98 HE ARG 10 HE ARG 10 6.873 9.226 -18.025 99 HH11 ARG 10 1HH1 ARG 10 8.526 6.216 -18.596 100 HH12 ARG 10 2HH1 ARG 10 9.102 6.679 -20.163 101 HH21 ARG 10 1HH2 ARG 10 7.625 9.847 -20.087 102 HH22 ARG 10 2HH2 ARG 10 8.589 8.745 -21.010
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