NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
626649 | 5xer | 36073 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 H THR 1 1.806 0.001 0.856 2 HA THR 1 HA THR 1 1.442 0.337 -2.034 3 HB THR 1 HB THR 1 4.166 0.400 -0.855 4 HG1 THR 1 HG1 THR 1 2.090 2.131 -0.126 5 HG21 THR 1 1HG2 THR 1 2.643 1.897 -2.971 6 HG22 THR 1 2HG2 THR 1 4.066 0.872 -3.154 7 HG23 THR 1 3HG2 THR 1 4.212 2.453 -2.388 8 H VAL 2 H VAL 2 1.631 -2.159 0.001 9 HA VAL 2 HA VAL 2 3.639 -3.750 -1.335 10 HB VAL 2 HB VAL 2 1.550 -4.776 0.577 11 HG11 VAL 2 1HG1 VAL 2 4.379 -5.693 0.089 12 HG12 VAL 2 2HG1 VAL 2 3.136 -6.504 1.045 13 HG13 VAL 2 3HG1 VAL 2 2.965 -6.386 -0.706 14 HG21 VAL 2 1HG2 VAL 2 4.197 -3.498 1.254 15 HG22 VAL 2 2HG2 VAL 2 2.601 -2.838 1.610 16 HG23 VAL 2 3HG2 VAL 2 3.135 -4.324 2.394 17 H TYR 3 H TYR 3 0.266 -3.131 -1.656 18 HA TYR 3 HA TYR 3 -0.797 -5.404 -2.723 19 HB2 TYR 3 2HB TYR 3 -2.370 -4.029 -3.897 20 HB3 TYR 3 3HB TYR 3 -1.974 -3.207 -2.392 21 HD1 TYR 3 HD1 TYR 3 -2.421 -2.766 -5.825 22 HD2 TYR 3 HD2 TYR 3 0.071 -1.503 -2.616 23 HE1 TYR 3 HE1 TYR 3 -1.819 -0.748 -7.095 24 HE2 TYR 3 HE2 TYR 3 0.679 0.519 -3.876 25 HH TYR 3 HH TYR 3 0.242 1.762 -5.685 26 H VAL 4 H VAL 4 1.340 -3.100 -4.322 27 HA VAL 4 HA VAL 4 1.177 -4.363 -6.887 28 HB VAL 4 HB VAL 4 3.315 -2.962 -7.292 29 HG11 VAL 4 1HG1 VAL 4 0.522 -2.279 -7.167 30 HG12 VAL 4 2HG1 VAL 4 1.525 -0.862 -6.850 31 HG13 VAL 4 3HG1 VAL 4 1.746 -1.785 -8.337 32 HG21 VAL 4 1HG2 VAL 4 2.530 -1.164 -5.132 33 HG22 VAL 4 2HG2 VAL 4 3.222 -2.683 -4.562 34 HG23 VAL 4 3HG2 VAL 4 4.136 -1.658 -5.668 35 H TYR 5 H TYR 5 3.424 -4.474 -4.167 36 HA TYR 5 HA TYR 5 5.464 -5.960 -5.370 37 HB2 TYR 5 2HB TYR 5 4.550 -5.681 -2.517 38 HB3 TYR 5 3HB TYR 5 5.895 -6.732 -2.946 39 HD1 TYR 5 HD1 TYR 5 4.718 -3.215 -3.356 40 HD2 TYR 5 HD2 TYR 5 8.041 -5.853 -3.035 41 HE1 TYR 5 HE1 TYR 5 6.238 -1.283 -3.294 42 HE2 TYR 5 HE2 TYR 5 9.570 -3.928 -2.972 43 HH TYR 5 HH TYR 5 8.442 -0.665 -3.543 44 H SER 6 H SER 6 2.359 -6.912 -4.136 45 HA SER 6 HA SER 6 3.022 -9.744 -4.221 46 HB2 SER 6 2HB SER 6 1.557 -8.773 -2.422 47 HB3 SER 6 3HB SER 6 0.337 -8.467 -3.659 48 HG SER 6 HG SER 6 1.443 -11.021 -3.108 49 H ARG 7 H ARG 7 1.399 -7.332 -6.125 50 HA ARG 7 HA ARG 7 0.023 -9.183 -7.829 51 HB2 ARG 7 2HB ARG 7 -1.095 -7.301 -8.271 52 HB3 ARG 7 3HB ARG 7 0.134 -6.335 -7.466 53 HG2 ARG 7 2HG ARG 7 1.438 -6.277 -9.537 54 HG3 ARG 7 3HG ARG 7 0.188 -7.228 -10.341 55 HD2 ARG 7 2HD ARG 7 -1.095 -5.041 -9.096 56 HD3 ARG 7 3HD ARG 7 0.320 -4.404 -9.934 57 HE ARG 7 HE ARG 7 -2.064 -5.446 -11.125 58 HH11 ARG 7 1HH1 ARG 7 1.357 -4.982 -11.579 59 HH12 ARG 7 2HH1 ARG 7 1.261 -4.988 -13.309 60 HH21 ARG 7 1HH2 ARG 7 -2.203 -5.456 -13.402 61 HH22 ARG 7 2HH2 ARG 7 -0.765 -5.256 -14.345 62 H VAL 8 H VAL 8 3.014 -7.303 -8.032 63 HA VAL 8 HA VAL 8 3.734 -7.770 -10.654 64 HB VAL 8 HB VAL 8 5.546 -7.654 -8.240 65 HG11 VAL 8 1HG1 VAL 8 7.028 -6.711 -10.297 66 HG12 VAL 8 2HG1 VAL 8 7.087 -8.376 -9.715 67 HG13 VAL 8 3HG1 VAL 8 6.093 -7.964 -11.113 68 HG21 VAL 8 1HG2 VAL 8 5.584 -5.332 -9.916 69 HG22 VAL 8 2HG2 VAL 8 3.925 -5.692 -9.438 70 HG23 VAL 8 3HG2 VAL 8 5.168 -5.465 -8.208 71 H LYS 9 H LYS 9 4.992 -9.650 -7.893 72 HA LYS 9 HA LYS 9 6.141 -11.701 -9.356 73 HB2 LYS 9 2HB LYS 9 5.067 -11.507 -6.569 74 HB3 LYS 9 3HB LYS 9 5.583 -13.072 -7.182 75 HG2 LYS 9 2HG LYS 9 7.438 -12.195 -6.050 76 HG3 LYS 9 3HG LYS 9 7.784 -11.961 -7.765 77 HD2 LYS 9 2HD LYS 9 7.706 -9.712 -7.602 78 HD3 LYS 9 3HD LYS 9 6.368 -9.739 -6.452 79 HE2 LYS 9 2HE LYS 9 8.818 -10.819 -5.327 80 HE3 LYS 9 3HE LYS 9 9.017 -9.161 -5.890 81 HZ1 LYS 9 1HZ LYS 9 6.855 -8.739 -4.610 82 HZ2 LYS 9 2HZ LYS 9 8.284 -8.917 -3.724 83 HZ3 LYS 9 3HZ LYS 9 7.186 -10.200 -3.825 Start of MODEL 2 1 H1 THR 1 H THR 1 1.686 -0.237 0.884 2 HA THR 1 HA THR 1 1.361 0.220 -1.994 3 HB THR 1 HB THR 1 4.055 0.369 -0.758 4 HG1 THR 1 HG1 THR 1 2.130 2.432 -0.360 5 HG21 THR 1 1HG2 THR 1 3.745 2.626 -2.170 6 HG22 THR 1 2HG2 THR 1 2.524 1.628 -2.959 7 HG23 THR 1 3HG2 THR 1 4.203 1.092 -2.908 8 H VAL 2 H VAL 2 1.647 -2.358 -0.076 9 HA VAL 2 HA VAL 2 3.763 -3.774 -1.443 10 HB VAL 2 HB VAL 2 1.696 -5.002 0.371 11 HG11 VAL 2 1HG1 VAL 2 3.226 -6.466 -0.957 12 HG12 VAL 2 2HG1 VAL 2 4.581 -5.742 -0.089 13 HG13 VAL 2 3HG1 VAL 2 3.361 -6.664 0.789 14 HG21 VAL 2 1HG2 VAL 2 3.221 -4.556 2.242 15 HG22 VAL 2 2HG2 VAL 2 4.256 -3.616 1.167 16 HG23 VAL 2 3HG2 VAL 2 2.619 -3.064 1.520 17 H TYR 3 H TYR 3 0.367 -3.320 -1.806 18 HA TYR 3 HA TYR 3 -0.551 -5.592 -3.003 19 HB2 TYR 3 2HB TYR 3 -2.173 -4.248 -4.143 20 HB3 TYR 3 3HB TYR 3 -1.850 -3.480 -2.593 21 HD1 TYR 3 HD1 TYR 3 0.102 -1.660 -2.691 22 HD2 TYR 3 HD2 TYR 3 -2.258 -2.895 -6.008 23 HE1 TYR 3 HE1 TYR 3 0.624 0.451 -3.840 24 HE2 TYR 3 HE2 TYR 3 -1.742 -0.788 -7.167 25 HH TYR 3 HH TYR 3 0.409 1.632 -5.709 26 H VAL 4 H VAL 4 1.488 -3.102 -4.445 27 HA VAL 4 HA VAL 4 1.442 -4.246 -7.070 28 HB VAL 4 HB VAL 4 3.507 -2.713 -7.362 29 HG11 VAL 4 1HG1 VAL 4 0.678 -2.188 -7.263 30 HG12 VAL 4 2HG1 VAL 4 1.596 -0.736 -6.859 31 HG13 VAL 4 3HG1 VAL 4 1.894 -1.574 -8.383 32 HG21 VAL 4 1HG2 VAL 4 3.348 -2.573 -4.627 33 HG22 VAL 4 2HG2 VAL 4 4.226 -1.447 -5.662 34 HG23 VAL 4 3HG2 VAL 4 2.587 -1.066 -5.136 35 H TYR 5 H TYR 5 3.640 -4.368 -4.310 36 HA TYR 5 HA TYR 5 5.782 -5.680 -5.538 37 HB2 TYR 5 2HB TYR 5 4.797 -5.591 -2.696 38 HB3 TYR 5 3HB TYR 5 6.205 -6.547 -3.144 39 HD1 TYR 5 HD1 TYR 5 4.849 -3.081 -3.416 40 HD2 TYR 5 HD2 TYR 5 8.302 -5.551 -3.138 41 HE1 TYR 5 HE1 TYR 5 6.260 -1.076 -3.228 42 HE2 TYR 5 HE2 TYR 5 9.723 -3.553 -2.947 43 HH TYR 5 HH TYR 5 8.802 -0.557 -3.777 44 H SER 6 H SER 6 2.710 -6.859 -4.420 45 HA SER 6 HA SER 6 3.531 -9.643 -4.626 46 HB2 SER 6 2HB SER 6 1.333 -8.188 -3.384 47 HB3 SER 6 3HB SER 6 0.773 -9.604 -4.273 48 HG SER 6 HG SER 6 1.332 -10.541 -2.450 49 H ARG 7 H ARG 7 1.817 -7.231 -6.450 50 HA ARG 7 HA ARG 7 0.579 -9.067 -8.271 51 HB2 ARG 7 2HB ARG 7 -0.631 -7.230 -8.648 52 HB3 ARG 7 3HB ARG 7 0.526 -6.239 -7.769 53 HG2 ARG 7 2HG ARG 7 1.867 -6.009 -9.805 54 HG3 ARG 7 3HG ARG 7 0.687 -6.985 -10.682 55 HD2 ARG 7 2HD ARG 7 -0.753 -4.946 -9.375 56 HD3 ARG 7 3HD ARG 7 0.653 -4.179 -10.112 57 HE ARG 7 HE ARG 7 -0.228 -4.615 -12.189 58 HH11 ARG 7 1HH1 ARG 7 -1.989 -6.399 -9.773 59 HH12 ARG 7 2HH1 ARG 7 -3.244 -6.889 -10.862 60 HH21 ARG 7 1HH2 ARG 7 -1.875 -5.254 -13.633 61 HH22 ARG 7 2HH2 ARG 7 -3.178 -6.238 -13.058 62 H VAL 8 H VAL 8 3.466 -7.022 -8.314 63 HA VAL 8 HA VAL 8 4.264 -7.318 -10.939 64 HB VAL 8 HB VAL 8 6.018 -7.225 -8.481 65 HG11 VAL 8 1HG1 VAL 8 7.498 -6.106 -10.438 66 HG12 VAL 8 2HG1 VAL 8 7.614 -7.803 -9.968 67 HG13 VAL 8 3HG1 VAL 8 6.636 -7.337 -11.360 68 HG21 VAL 8 1HG2 VAL 8 6.016 -4.812 -9.975 69 HG22 VAL 8 2HG2 VAL 8 4.339 -5.284 -9.698 70 HG23 VAL 8 3HG2 VAL 8 5.437 -5.087 -8.332 71 H LYS 9 H LYS 9 5.567 -9.262 -8.244 72 HA LYS 9 HA LYS 9 6.654 -11.236 -9.978 73 HB2 LYS 9 2HB LYS 9 7.195 -12.458 -7.954 74 HB3 LYS 9 3HB LYS 9 7.566 -10.753 -7.733 75 HG2 LYS 9 2HG LYS 9 5.192 -10.647 -6.681 76 HG3 LYS 9 3HG LYS 9 5.395 -12.392 -6.509 77 HD2 LYS 9 2HD LYS 9 7.493 -12.008 -5.284 78 HD3 LYS 9 3HD LYS 9 7.249 -10.266 -5.431 79 HE2 LYS 9 2HE LYS 9 4.861 -11.246 -4.380 80 HE3 LYS 9 3HE LYS 9 6.126 -12.136 -3.534 81 HZ1 LYS 9 1HZ LYS 9 6.394 -10.356 -2.267 82 HZ2 LYS 9 2HZ LYS 9 5.318 -9.444 -3.200 83 HZ3 LYS 9 3HZ LYS 9 6.957 -9.502 -3.614 Start of MODEL 3 1 H1 THR 1 H THR 1 1.841 -0.093 0.904 2 HA THR 1 HA THR 1 1.391 0.281 -1.969 3 HB THR 1 HB THR 1 4.143 0.391 -0.861 4 HG1 THR 1 HG1 THR 1 2.448 2.631 -0.527 5 HG21 THR 1 1HG2 THR 1 2.568 2.075 -2.812 6 HG22 THR 1 2HG2 THR 1 3.769 0.845 -3.208 7 HG23 THR 1 3HG2 THR 1 4.263 2.332 -2.399 8 H VAL 2 H VAL 2 1.695 -2.243 0.016 9 HA VAL 2 HA VAL 2 3.703 -3.762 -1.400 10 HB VAL 2 HB VAL 2 1.691 -4.871 0.548 11 HG11 VAL 2 1HG1 VAL 2 3.332 -6.565 0.945 12 HG12 VAL 2 2HG1 VAL 2 3.108 -6.425 -0.800 13 HG13 VAL 2 3HG1 VAL 2 4.527 -5.711 -0.031 14 HG21 VAL 2 1HG2 VAL 2 2.724 -2.927 1.585 15 HG22 VAL 2 2HG2 VAL 2 3.315 -4.412 2.330 16 HG23 VAL 2 3HG2 VAL 2 4.326 -3.542 1.178 17 H TYR 3 H TYR 3 0.308 -3.220 -1.620 18 HA TYR 3 HA TYR 3 -0.729 -5.499 -2.698 19 HB2 TYR 3 2HB TYR 3 -2.366 -4.144 -3.804 20 HB3 TYR 3 3HB TYR 3 -1.947 -3.337 -2.297 21 HD1 TYR 3 HD1 TYR 3 0.051 -1.582 -2.548 22 HD2 TYR 3 HD2 TYR 3 -2.504 -2.849 -5.706 23 HE1 TYR 3 HE1 TYR 3 0.577 0.475 -3.791 24 HE2 TYR 3 HE2 TYR 3 -1.984 -0.797 -6.958 25 HH TYR 3 HH TYR 3 0.411 0.976 -6.672 26 H VAL 4 H VAL 4 1.311 -3.119 -4.312 27 HA VAL 4 HA VAL 4 1.107 -4.344 -6.894 28 HB VAL 4 HB VAL 4 3.197 -2.881 -7.333 29 HG11 VAL 4 1HG1 VAL 4 0.391 -2.271 -7.117 30 HG12 VAL 4 2HG1 VAL 4 1.368 -0.834 -6.810 31 HG13 VAL 4 3HG1 VAL 4 1.567 -1.732 -8.315 32 HG21 VAL 4 1HG2 VAL 4 2.426 -1.140 -5.122 33 HG22 VAL 4 2HG2 VAL 4 3.173 -2.649 -4.598 34 HG23 VAL 4 3HG2 VAL 4 4.028 -1.581 -5.711 35 H TYR 5 H TYR 5 3.429 -4.440 -4.236 36 HA TYR 5 HA TYR 5 5.475 -5.850 -5.516 37 HB2 TYR 5 2HB TYR 5 4.623 -5.647 -2.637 38 HB3 TYR 5 3HB TYR 5 5.982 -6.658 -3.116 39 HD1 TYR 5 HD1 TYR 5 8.104 -5.727 -3.226 40 HD2 TYR 5 HD2 TYR 5 4.715 -3.163 -3.443 41 HE1 TYR 5 HE1 TYR 5 9.589 -3.768 -3.162 42 HE2 TYR 5 HE2 TYR 5 6.191 -1.197 -3.382 43 HH TYR 5 HH TYR 5 9.722 -1.552 -3.302 44 H SER 6 H SER 6 2.429 -6.910 -4.221 45 HA SER 6 HA SER 6 3.163 -9.720 -4.377 46 HB2 SER 6 2HB SER 6 0.376 -8.738 -3.845 47 HB3 SER 6 3HB SER 6 1.179 -10.187 -3.240 48 HG SER 6 HG SER 6 1.471 -7.513 -2.402 49 H ARG 7 H ARG 7 1.438 -7.318 -6.203 50 HA ARG 7 HA ARG 7 0.075 -9.174 -7.911 51 HB2 ARG 7 2HB ARG 7 -1.100 -7.315 -8.296 52 HB3 ARG 7 3HB ARG 7 0.120 -6.331 -7.499 53 HG2 ARG 7 2HG ARG 7 1.378 -6.203 -9.595 54 HG3 ARG 7 3HG ARG 7 0.136 -7.172 -10.390 55 HD2 ARG 7 2HD ARG 7 -1.173 -5.039 -9.078 56 HD3 ARG 7 3HD ARG 7 0.205 -4.354 -9.939 57 HE ARG 7 HE ARG 7 -2.191 -5.347 -11.090 58 HH11 ARG 7 1HH1 ARG 7 1.243 -5.124 -11.616 59 HH12 ARG 7 2HH1 ARG 7 1.115 -5.184 -13.343 60 HH21 ARG 7 1HH2 ARG 7 -2.373 -5.428 -13.362 61 HH22 ARG 7 2HH2 ARG 7 -0.943 -5.356 -14.335 62 H VAL 8 H VAL 8 3.011 -7.214 -8.141 63 HA VAL 8 HA VAL 8 3.688 -7.615 -10.786 64 HB VAL 8 HB VAL 8 5.552 -7.502 -8.411 65 HG11 VAL 8 1HG1 VAL 8 6.972 -6.473 -10.457 66 HG12 VAL 8 2HG1 VAL 8 7.058 -8.164 -9.957 67 HG13 VAL 8 3HG1 VAL 8 6.031 -7.695 -11.313 68 HG21 VAL 8 1HG2 VAL 8 5.030 -5.348 -8.291 69 HG22 VAL 8 2HG2 VAL 8 5.546 -5.126 -9.962 70 HG23 VAL 8 3HG2 VAL 8 3.871 -5.547 -9.605 71 H LYS 9 H LYS 9 5.052 -9.511 -8.088 72 HA LYS 9 HA LYS 9 5.607 -11.691 -9.953 73 HB2 LYS 9 2HB LYS 9 6.957 -12.633 -8.125 74 HB3 LYS 9 3HB LYS 9 7.437 -10.985 -8.507 75 HG2 LYS 9 2HG LYS 9 5.561 -10.633 -6.531 76 HG3 LYS 9 3HG LYS 9 6.399 -12.105 -6.033 77 HD2 LYS 9 2HD LYS 9 8.459 -10.462 -6.821 78 HD3 LYS 9 3HD LYS 9 7.326 -9.337 -6.067 79 HE2 LYS 9 2HE LYS 9 8.124 -11.909 -4.738 80 HE3 LYS 9 3HE LYS 9 9.092 -10.444 -4.576 81 HZ1 LYS 9 1HZ LYS 9 7.747 -9.913 -2.910 82 HZ2 LYS 9 2HZ LYS 9 6.651 -11.146 -3.282 83 HZ3 LYS 9 3HZ LYS 9 6.528 -9.645 -4.052 Start of MODEL 4 1 H1 THR 1 H THR 1 1.481 0.144 0.668 2 HA THR 1 HA THR 1 1.290 0.420 -2.245 3 HB THR 1 HB THR 1 3.942 0.471 -0.912 4 HG1 THR 1 HG1 THR 1 3.241 1.912 0.482 5 HG21 THR 1 1HG2 THR 1 4.013 2.552 -2.482 6 HG22 THR 1 2HG2 THR 1 2.565 1.837 -3.191 7 HG23 THR 1 3HG2 THR 1 4.079 0.934 -3.178 8 H VAL 2 H VAL 2 1.323 -2.032 -0.149 9 HA VAL 2 HA VAL 2 3.379 -3.681 -1.331 10 HB VAL 2 HB VAL 2 1.168 -4.634 0.478 11 HG11 VAL 2 1HG1 VAL 2 2.697 -6.372 1.075 12 HG12 VAL 2 2HG1 VAL 2 2.633 -6.291 -0.687 13 HG13 VAL 2 3HG1 VAL 2 4.006 -5.602 0.180 14 HG21 VAL 2 1HG2 VAL 2 2.653 -4.164 2.373 15 HG22 VAL 2 2HG2 VAL 2 3.793 -3.379 1.280 16 HG23 VAL 2 3HG2 VAL 2 2.189 -2.688 1.527 17 H TYR 3 H TYR 3 0.040 -3.022 -1.860 18 HA TYR 3 HA TYR 3 -0.995 -5.304 -2.936 19 HB2 TYR 3 2HB TYR 3 -2.477 -3.934 -4.228 20 HB3 TYR 3 3HB TYR 3 -2.155 -3.084 -2.721 21 HD1 TYR 3 HD1 TYR 3 -2.400 -2.714 -6.182 22 HD2 TYR 3 HD2 TYR 3 -0.074 -1.415 -2.864 23 HE1 TYR 3 HE1 TYR 3 -1.696 -0.733 -7.458 24 HE2 TYR 3 HE2 TYR 3 0.635 0.570 -4.131 25 HH TYR 3 HH TYR 3 0.695 0.937 -7.092 26 H VAL 4 H VAL 4 1.265 -3.067 -4.459 27 HA VAL 4 HA VAL 4 1.229 -4.385 -7.001 28 HB VAL 4 HB VAL 4 3.408 -3.022 -7.313 29 HG11 VAL 4 1HG1 VAL 4 1.626 -0.889 -7.020 30 HG12 VAL 4 2HG1 VAL 4 1.917 -1.848 -8.472 31 HG13 VAL 4 3HG1 VAL 4 0.622 -2.298 -7.362 32 HG21 VAL 4 1HG2 VAL 4 4.153 -1.692 -5.676 33 HG22 VAL 4 2HG2 VAL 4 2.528 -1.164 -5.241 34 HG23 VAL 4 3HG2 VAL 4 3.163 -2.680 -4.601 35 H TYR 5 H TYR 5 3.316 -4.465 -4.155 36 HA TYR 5 HA TYR 5 5.400 -6.004 -5.205 37 HB2 TYR 5 2HB TYR 5 4.325 -5.650 -2.417 38 HB3 TYR 5 3HB TYR 5 5.676 -6.730 -2.744 39 HD1 TYR 5 HD1 TYR 5 4.581 -3.206 -3.301 40 HD2 TYR 5 HD2 TYR 5 7.836 -5.883 -2.720 41 HE1 TYR 5 HE1 TYR 5 6.125 -1.295 -3.191 42 HE2 TYR 5 HE2 TYR 5 9.389 -3.979 -2.607 43 HH TYR 5 HH TYR 5 9.621 -1.778 -2.811 44 H SER 6 H SER 6 2.215 -6.889 -4.132 45 HA SER 6 HA SER 6 2.841 -9.730 -4.119 46 HB2 SER 6 2HB SER 6 0.671 -8.040 -3.112 47 HB3 SER 6 3HB SER 6 0.101 -9.531 -3.862 48 HG SER 6 HG SER 6 1.448 -9.155 -1.507 49 H ARG 7 H ARG 7 1.369 -7.339 -6.168 50 HA ARG 7 HA ARG 7 0.069 -9.208 -7.911 51 HB2 ARG 7 2HB ARG 7 -0.992 -7.322 -8.458 52 HB3 ARG 7 3HB ARG 7 0.201 -6.355 -7.603 53 HG2 ARG 7 2HG ARG 7 1.626 -6.360 -9.593 54 HG3 ARG 7 3HG ARG 7 0.412 -7.313 -10.450 55 HD2 ARG 7 2HD ARG 7 -0.908 -5.080 -9.329 56 HD3 ARG 7 3HD ARG 7 0.561 -4.483 -10.099 57 HE ARG 7 HE ARG 7 -0.705 -6.253 -11.858 58 HH11 ARG 7 1HH1 ARG 7 -1.204 -3.119 -10.425 59 HH12 ARG 7 2HH1 ARG 7 -2.139 -2.517 -11.753 60 HH21 ARG 7 1HH2 ARG 7 -1.936 -5.471 -13.612 61 HH22 ARG 7 2HH2 ARG 7 -2.556 -3.855 -13.565 62 H VAL 8 H VAL 8 3.094 -7.374 -7.975 63 HA VAL 8 HA VAL 8 3.962 -7.908 -10.539 64 HB VAL 8 HB VAL 8 5.631 -7.767 -8.025 65 HG11 VAL 8 1HG1 VAL 8 7.266 -6.894 -9.971 66 HG12 VAL 8 2HG1 VAL 8 7.219 -8.570 -9.419 67 HG13 VAL 8 3HG1 VAL 8 6.339 -8.093 -10.871 68 HG21 VAL 8 1HG2 VAL 8 5.837 -5.470 -9.693 69 HG22 VAL 8 2HG2 VAL 8 4.129 -5.804 -9.410 70 HG23 VAL 8 3HG2 VAL 8 5.223 -5.584 -8.044 71 H LYS 9 H LYS 9 5.026 -9.744 -7.670 72 HA LYS 9 HA LYS 9 6.100 -11.884 -9.163 73 HB2 LYS 9 2HB LYS 9 5.556 -11.311 -6.317 74 HB3 LYS 9 3HB LYS 9 5.609 -13.017 -6.744 75 HG2 LYS 9 2HG LYS 9 7.809 -12.879 -6.497 76 HG3 LYS 9 3HG LYS 9 7.827 -11.962 -8.005 77 HD2 LYS 9 2HD LYS 9 7.525 -9.883 -6.680 78 HD3 LYS 9 3HD LYS 9 7.659 -10.845 -5.206 79 HE2 LYS 9 2HE LYS 9 9.872 -11.604 -6.659 80 HE3 LYS 9 3HE LYS 9 9.733 -9.883 -7.014 81 HZ1 LYS 9 1HZ LYS 9 9.847 -11.095 -4.304 82 HZ2 LYS 9 2HZ LYS 9 9.687 -9.443 -4.631 83 HZ3 LYS 9 3HZ LYS 9 11.103 -10.259 -5.070 Start of MODEL 5 1 H1 THR 1 H THR 1 1.303 0.147 0.849 2 HA THR 1 HA THR 1 0.969 0.456 -2.048 3 HB THR 1 HB THR 1 3.626 0.890 -0.796 4 HG1 THR 1 HG1 THR 1 1.407 2.640 -0.409 5 HG21 THR 1 1HG2 THR 1 1.976 2.074 -2.995 6 HG22 THR 1 2HG2 THR 1 3.614 1.420 -3.051 7 HG23 THR 1 3HG2 THR 1 3.317 2.992 -2.310 8 H VAL 2 H VAL 2 1.456 -2.007 -0.023 9 HA VAL 2 HA VAL 2 3.701 -3.288 -1.313 10 HB VAL 2 HB VAL 2 1.728 -4.616 0.535 11 HG11 VAL 2 1HG1 VAL 2 3.390 -5.997 -0.719 12 HG12 VAL 2 2HG1 VAL 2 4.670 -5.122 0.123 13 HG13 VAL 2 3HG1 VAL 2 3.526 -6.108 1.035 14 HG21 VAL 2 1HG2 VAL 2 3.186 -3.964 2.397 15 HG22 VAL 2 2HG2 VAL 2 4.152 -2.985 1.293 16 HG23 VAL 2 3HG2 VAL 2 2.469 -2.559 1.607 17 H TYR 3 H TYR 3 0.284 -3.146 -1.722 18 HA TYR 3 HA TYR 3 -0.422 -5.535 -2.830 19 HB2 TYR 3 2HB TYR 3 -2.140 -4.384 -4.039 20 HB3 TYR 3 3HB TYR 3 -1.903 -3.528 -2.519 21 HD1 TYR 3 HD1 TYR 3 -0.112 -1.553 -2.677 22 HD2 TYR 3 HD2 TYR 3 -2.321 -3.120 -5.958 23 HE1 TYR 3 HE1 TYR 3 0.239 0.547 -3.909 24 HE2 TYR 3 HE2 TYR 3 -1.974 -1.026 -7.200 25 HH TYR 3 HH TYR 3 -0.542 1.784 -5.700 26 H VAL 4 H VAL 4 1.412 -2.939 -4.358 27 HA VAL 4 HA VAL 4 1.495 -4.190 -6.933 28 HB VAL 4 HB VAL 4 3.424 -2.497 -7.273 29 HG11 VAL 4 1HG1 VAL 4 1.732 -1.544 -8.354 30 HG12 VAL 4 2HG1 VAL 4 0.559 -2.215 -7.219 31 HG13 VAL 4 3HG1 VAL 4 1.344 -0.674 -6.870 32 HG21 VAL 4 1HG2 VAL 4 2.336 -0.848 -5.126 33 HG22 VAL 4 2HG2 VAL 4 3.222 -2.258 -4.546 34 HG23 VAL 4 3HG2 VAL 4 4.009 -1.103 -5.621 35 H TYR 5 H TYR 5 3.663 -4.007 -4.153 36 HA TYR 5 HA TYR 5 5.924 -5.178 -5.308 37 HB2 TYR 5 2HB TYR 5 4.903 -5.058 -2.480 38 HB3 TYR 5 3HB TYR 5 6.393 -5.906 -2.876 39 HD1 TYR 5 HD1 TYR 5 4.746 -2.585 -3.303 40 HD2 TYR 5 HD2 TYR 5 8.396 -4.734 -2.897 41 HE1 TYR 5 HE1 TYR 5 5.978 -0.459 -3.188 42 HE2 TYR 5 HE2 TYR 5 9.638 -2.614 -2.780 43 HH TYR 5 HH TYR 5 9.181 -0.244 -2.168 44 H SER 6 H SER 6 2.953 -6.572 -4.167 45 HA SER 6 HA SER 6 4.013 -9.281 -4.250 46 HB2 SER 6 2HB SER 6 2.300 -8.399 -2.534 47 HB3 SER 6 3HB SER 6 1.120 -8.548 -3.836 48 HG SER 6 HG SER 6 1.010 -10.512 -3.027 49 H ARG 7 H ARG 7 2.117 -7.103 -6.185 50 HA ARG 7 HA ARG 7 1.064 -9.113 -7.938 51 HB2 ARG 7 2HB ARG 7 -0.296 -7.404 -8.400 52 HB3 ARG 7 3HB ARG 7 0.762 -6.282 -7.556 53 HG2 ARG 7 2HG ARG 7 2.100 -6.020 -9.589 54 HG3 ARG 7 3HG ARG 7 1.019 -7.131 -10.433 55 HD2 ARG 7 2HD ARG 7 -0.611 -5.177 -9.229 56 HD3 ARG 7 3HD ARG 7 0.734 -4.317 -9.978 57 HE ARG 7 HE ARG 7 -0.075 -4.905 -12.046 58 HH11 ARG 7 1HH1 ARG 7 -1.701 -6.755 -9.586 59 HH12 ARG 7 2HH1 ARG 7 -2.889 -7.399 -10.671 60 HH21 ARG 7 1HH2 ARG 7 -1.632 -5.745 -13.484 61 HH22 ARG 7 2HH2 ARG 7 -2.848 -6.824 -12.889 62 H VAL 8 H VAL 8 3.763 -6.828 -8.045 63 HA VAL 8 HA VAL 8 4.614 -7.162 -10.648 64 HB VAL 8 HB VAL 8 6.326 -6.817 -8.183 65 HG11 VAL 8 1HG1 VAL 8 7.722 -5.653 -10.179 66 HG12 VAL 8 2HG1 VAL 8 7.985 -7.309 -9.629 67 HG13 VAL 8 3HG1 VAL 8 6.984 -6.998 -11.048 68 HG21 VAL 8 1HG2 VAL 8 4.455 -5.103 -9.314 69 HG22 VAL 8 2HG2 VAL 8 5.729 -4.670 -8.174 70 HG23 VAL 8 3HG2 VAL 8 6.008 -4.516 -9.908 71 H LYS 9 H LYS 9 6.049 -8.873 -7.864 72 HA LYS 9 HA LYS 9 7.158 -10.861 -7.726 73 HB2 LYS 9 2HB LYS 9 4.660 -11.345 -9.181 74 HB3 LYS 9 3HB LYS 9 5.887 -12.573 -9.464 75 HG2 LYS 9 2HG LYS 9 4.863 -11.701 -6.769 76 HG3 LYS 9 3HG LYS 9 4.412 -13.179 -7.622 77 HD2 LYS 9 2HD LYS 9 6.870 -13.778 -7.614 78 HD3 LYS 9 3HD LYS 9 7.103 -12.434 -6.494 79 HE2 LYS 9 2HE LYS 9 5.207 -14.732 -6.031 80 HE3 LYS 9 3HE LYS 9 6.846 -14.651 -5.387 81 HZ1 LYS 9 1HZ LYS 9 6.191 -13.307 -3.762 82 HZ2 LYS 9 2HZ LYS 9 4.598 -13.681 -4.188 83 HZ3 LYS 9 3HZ LYS 9 5.336 -12.293 -4.812 Start of MODEL 6 1 H1 THR 1 H THR 1 1.620 -0.115 1.121 2 HA THR 1 HA THR 1 1.373 0.412 -1.753 3 HB THR 1 HB THR 1 4.047 0.391 -0.462 4 HG1 THR 1 HG1 THR 1 3.564 1.894 0.937 5 HG21 THR 1 1HG2 THR 1 4.043 2.611 -1.846 6 HG22 THR 1 2HG2 THR 1 2.613 1.909 -2.602 7 HG23 THR 1 3HG2 THR 1 4.156 1.058 -2.672 8 H VAL 2 H VAL 2 1.480 -2.213 0.118 9 HA VAL 2 HA VAL 2 3.541 -3.718 -1.237 10 HB VAL 2 HB VAL 2 1.376 -4.863 0.516 11 HG11 VAL 2 1HG1 VAL 2 2.942 -6.620 0.934 12 HG12 VAL 2 2HG1 VAL 2 2.844 -6.387 -0.813 13 HG13 VAL 2 3HG1 VAL 2 4.222 -5.753 0.087 14 HG21 VAL 2 1HG2 VAL 2 2.886 -4.537 2.421 15 HG22 VAL 2 2HG2 VAL 2 3.995 -3.639 1.384 16 HG23 VAL 2 3HG2 VAL 2 2.385 -2.999 1.716 17 H TYR 3 H TYR 3 0.183 -3.070 -1.653 18 HA TYR 3 HA TYR 3 -0.836 -5.265 -2.910 19 HB2 TYR 3 2HB TYR 3 -2.360 -3.812 -4.052 20 HB3 TYR 3 3HB TYR 3 -2.024 -3.091 -2.482 21 HD1 TYR 3 HD1 TYR 3 -2.335 -2.424 -5.893 22 HD2 TYR 3 HD2 TYR 3 0.029 -1.382 -2.512 23 HE1 TYR 3 HE1 TYR 3 -1.683 -0.328 -7.003 24 HE2 TYR 3 HE2 TYR 3 0.687 0.717 -3.612 25 HH TYR 3 HH TYR 3 0.864 1.523 -6.081 26 H VAL 4 H VAL 4 1.365 -2.866 -4.265 27 HA VAL 4 HA VAL 4 1.306 -3.957 -6.913 28 HB VAL 4 HB VAL 4 3.458 -2.536 -7.137 29 HG11 VAL 4 1HG1 VAL 4 1.650 -0.467 -6.633 30 HG12 VAL 4 2HG1 VAL 4 1.931 -1.292 -8.167 31 HG13 VAL 4 3HG1 VAL 4 0.661 -1.856 -7.080 32 HG21 VAL 4 1HG2 VAL 4 4.209 -1.339 -5.401 33 HG22 VAL 4 2HG2 VAL 4 2.582 -0.883 -4.896 34 HG23 VAL 4 3HG2 VAL 4 3.255 -2.436 -4.403 35 H TYR 5 H TYR 5 3.440 -4.253 -4.116 36 HA TYR 5 HA TYR 5 5.527 -5.662 -5.334 37 HB2 TYR 5 2HB TYR 5 4.504 -5.562 -2.506 38 HB3 TYR 5 3HB TYR 5 5.865 -6.586 -2.949 39 HD1 TYR 5 HD1 TYR 5 8.013 -5.708 -2.901 40 HD2 TYR 5 HD2 TYR 5 4.703 -3.048 -3.176 41 HE1 TYR 5 HE1 TYR 5 9.538 -3.794 -2.658 42 HE2 TYR 5 HE2 TYR 5 6.220 -1.127 -2.936 43 HH TYR 5 HH TYR 5 9.658 -1.570 -2.281 44 H SER 6 H SER 6 2.374 -6.680 -4.294 45 HA SER 6 HA SER 6 3.040 -9.504 -4.527 46 HB2 SER 6 2HB SER 6 1.252 -8.162 -2.941 47 HB3 SER 6 3HB SER 6 0.206 -8.781 -4.219 48 HG SER 6 HG SER 6 1.860 -10.216 -2.437 49 H ARG 7 H ARG 7 1.536 -6.967 -6.353 50 HA ARG 7 HA ARG 7 0.221 -8.711 -8.222 51 HB2 ARG 7 2HB ARG 7 -0.909 -6.784 -8.438 52 HB3 ARG 7 3HB ARG 7 0.401 -5.845 -7.734 53 HG2 ARG 7 2HG ARG 7 0.030 -5.039 -9.938 54 HG3 ARG 7 3HG ARG 7 1.551 -5.933 -9.946 55 HD2 ARG 7 2HD ARG 7 0.762 -7.146 -11.631 56 HD3 ARG 7 3HD ARG 7 -0.439 -7.814 -10.526 57 HE ARG 7 HE ARG 7 -1.419 -5.375 -11.416 58 HH11 ARG 7 1HH1 ARG 7 -0.562 -8.469 -12.762 59 HH12 ARG 7 2HH1 ARG 7 -1.714 -8.373 -14.053 60 HH21 ARG 7 1HH2 ARG 7 -2.939 -5.236 -13.111 61 HH22 ARG 7 2HH2 ARG 7 -3.064 -6.533 -14.251 62 H VAL 8 H VAL 8 3.224 -6.856 -8.132 63 HA VAL 8 HA VAL 8 4.050 -7.109 -10.762 64 HB VAL 8 HB VAL 8 5.746 -7.162 -8.263 65 HG11 VAL 8 1HG1 VAL 8 6.443 -7.142 -11.151 66 HG12 VAL 8 2HG1 VAL 8 7.412 -6.156 -10.055 67 HG13 VAL 8 3HG1 VAL 8 7.275 -7.895 -9.791 68 HG21 VAL 8 1HG2 VAL 8 4.166 -5.136 -9.309 69 HG22 VAL 8 2HG2 VAL 8 5.474 -4.953 -8.141 70 HG23 VAL 8 3HG2 VAL 8 5.795 -4.749 -9.863 71 H LYS 9 H LYS 9 5.187 -9.190 -8.095 72 HA LYS 9 HA LYS 9 6.021 -11.220 -9.973 73 HB2 LYS 9 2HB LYS 9 6.817 -12.422 -7.987 74 HB3 LYS 9 3HB LYS 9 7.388 -10.759 -8.001 75 HG2 LYS 9 2HG LYS 9 5.097 -10.508 -6.574 76 HG3 LYS 9 3HG LYS 9 5.614 -12.133 -6.115 77 HD2 LYS 9 2HD LYS 9 7.551 -9.847 -6.094 78 HD3 LYS 9 3HD LYS 9 6.455 -10.111 -4.736 79 HE2 LYS 9 2HE LYS 9 7.605 -11.892 -4.007 80 HE3 LYS 9 3HE LYS 9 7.831 -12.529 -5.635 81 HZ1 LYS 9 1HZ LYS 9 9.962 -11.990 -5.165 82 HZ2 LYS 9 2HZ LYS 9 9.550 -10.764 -4.076 83 HZ3 LYS 9 3HZ LYS 9 9.474 -10.476 -5.742 Start of MODEL 7 1 H1 THR 1 H THR 1 2.304 0.968 -3.320 2 HA THR 1 HA THR 1 3.118 0.588 -0.511 3 HB THR 1 HB THR 1 0.621 -0.735 -1.186 4 HG1 THR 1 HG1 THR 1 -0.448 0.891 -2.008 5 HG21 THR 1 1HG2 THR 1 1.197 -0.529 1.087 6 HG22 THR 1 2HG2 THR 1 -0.097 0.644 0.845 7 HG23 THR 1 3HG2 THR 1 1.580 1.184 0.921 8 H VAL 2 H VAL 2 2.070 -1.896 -0.061 9 HA VAL 2 HA VAL 2 3.934 -3.563 -1.504 10 HB VAL 2 HB VAL 2 1.919 -4.499 0.531 11 HG11 VAL 2 1HG1 VAL 2 3.107 -6.219 -0.761 12 HG12 VAL 2 2HG1 VAL 2 4.647 -5.541 -0.229 13 HG13 VAL 2 3HG1 VAL 2 3.544 -6.256 0.947 14 HG21 VAL 2 1HG2 VAL 2 3.126 -2.604 1.480 15 HG22 VAL 2 2HG2 VAL 2 3.621 -4.112 2.250 16 HG23 VAL 2 3HG2 VAL 2 4.663 -3.353 1.046 17 H TYR 3 H TYR 3 0.616 -2.756 -1.726 18 HA TYR 3 HA TYR 3 -0.623 -5.000 -2.686 19 HB2 TYR 3 2HB TYR 3 -2.226 -3.596 -3.660 20 HB3 TYR 3 3HB TYR 3 -1.549 -2.614 -2.366 21 HD1 TYR 3 HD1 TYR 3 0.555 -1.150 -3.138 22 HD2 TYR 3 HD2 TYR 3 -2.508 -2.592 -5.715 23 HE1 TYR 3 HE1 TYR 3 1.091 0.622 -4.757 24 HE2 TYR 3 HE2 TYR 3 -1.981 -0.824 -7.341 25 HH TYR 3 HH TYR 3 0.791 1.285 -6.929 26 H VAL 4 H VAL 4 1.699 -2.955 -4.324 27 HA VAL 4 HA VAL 4 1.318 -4.209 -6.892 28 HB VAL 4 HB VAL 4 3.552 -2.946 -7.361 29 HG11 VAL 4 1HG1 VAL 4 2.004 -1.797 -8.475 30 HG12 VAL 4 2HG1 VAL 4 0.784 -2.104 -7.238 31 HG13 VAL 4 3HG1 VAL 4 1.893 -0.744 -7.066 32 HG21 VAL 4 1HG2 VAL 4 3.567 -2.584 -4.689 33 HG22 VAL 4 2HG2 VAL 4 4.366 -1.502 -5.829 34 HG23 VAL 4 3HG2 VAL 4 2.768 -1.099 -5.203 35 H TYR 5 H TYR 5 3.634 -4.410 -4.238 36 HA TYR 5 HA TYR 5 5.549 -6.031 -5.478 37 HB2 TYR 5 2HB TYR 5 4.745 -5.666 -2.600 38 HB3 TYR 5 3HB TYR 5 6.030 -6.775 -3.064 39 HD1 TYR 5 HD1 TYR 5 4.984 -3.218 -3.190 40 HD2 TYR 5 HD2 TYR 5 8.202 -5.982 -3.520 41 HE1 TYR 5 HE1 TYR 5 6.581 -1.348 -3.203 42 HE2 TYR 5 HE2 TYR 5 9.808 -4.120 -3.532 43 HH TYR 5 HH TYR 5 8.744 -0.777 -3.667 44 H SER 6 H SER 6 2.430 -6.773 -4.146 45 HA SER 6 HA SER 6 2.928 -9.642 -4.195 46 HB2 SER 6 2HB SER 6 1.557 -8.440 -2.392 47 HB3 SER 6 3HB SER 6 0.288 -8.305 -3.609 48 HG SER 6 HG SER 6 1.483 -10.793 -3.044 49 H ARG 7 H ARG 7 1.391 -7.165 -6.083 50 HA ARG 7 HA ARG 7 -0.162 -8.955 -7.701 51 HB2 ARG 7 2HB ARG 7 -1.183 -7.017 -8.130 52 HB3 ARG 7 3HB ARG 7 0.131 -6.114 -7.390 53 HG2 ARG 7 2HG ARG 7 1.354 -6.164 -9.510 54 HG3 ARG 7 3HG ARG 7 0.019 -7.051 -10.249 55 HD2 ARG 7 2HD ARG 7 -1.080 -4.771 -8.992 56 HD3 ARG 7 3HD ARG 7 0.334 -4.235 -9.898 57 HE ARG 7 HE ARG 7 -2.157 -5.117 -10.972 58 HH11 ARG 7 1HH1 ARG 7 1.270 -4.986 -11.571 59 HH12 ARG 7 2HH1 ARG 7 1.102 -5.041 -13.295 60 HH21 ARG 7 1HH2 ARG 7 -2.390 -5.190 -13.240 61 HH22 ARG 7 2HH2 ARG 7 -0.980 -5.157 -14.243 62 H VAL 8 H VAL 8 2.924 -7.259 -8.045 63 HA VAL 8 HA VAL 8 3.513 -7.808 -10.685 64 HB VAL 8 HB VAL 8 5.418 -7.750 -8.341 65 HG11 VAL 8 1HG1 VAL 8 5.851 -8.017 -11.267 66 HG12 VAL 8 2HG1 VAL 8 6.960 -6.989 -10.357 67 HG13 VAL 8 3HG1 VAL 8 6.771 -8.688 -9.920 68 HG21 VAL 8 1HG2 VAL 8 3.855 -5.730 -9.220 69 HG22 VAL 8 2HG2 VAL 8 5.443 -5.499 -8.489 70 HG23 VAL 8 3HG2 VAL 8 5.274 -5.507 -10.244 71 H LYS 9 H LYS 9 4.767 -9.711 -7.938 72 HA LYS 9 HA LYS 9 4.947 -12.031 -9.732 73 HB2 LYS 9 2HB LYS 9 6.547 -12.951 -8.136 74 HB3 LYS 9 3HB LYS 9 7.043 -11.343 -8.649 75 HG2 LYS 9 2HG LYS 9 5.686 -10.661 -6.465 76 HG3 LYS 9 3HG LYS 9 6.144 -12.301 -5.998 77 HD2 LYS 9 2HD LYS 9 8.502 -11.739 -6.521 78 HD3 LYS 9 3HD LYS 9 8.000 -10.079 -6.853 79 HE2 LYS 9 2HE LYS 9 7.024 -10.089 -4.495 80 HE3 LYS 9 3HE LYS 9 7.953 -11.565 -4.240 81 HZ1 LYS 9 1HZ LYS 9 8.837 -8.917 -4.081 82 HZ2 LYS 9 2HZ LYS 9 9.642 -9.645 -5.378 83 HZ3 LYS 9 3HZ LYS 9 9.728 -10.334 -3.835 Start of MODEL 8 1 H1 THR 1 H THR 1 2.323 1.031 -3.338 2 HA THR 1 HA THR 1 2.949 0.611 -0.487 3 HB THR 1 HB THR 1 0.496 -0.691 -1.341 4 HG1 THR 1 HG1 THR 1 0.346 1.189 -2.673 5 HG21 THR 1 1HG2 THR 1 0.862 -0.533 0.960 6 HG22 THR 1 2HG2 THR 1 -0.333 0.727 0.651 7 HG23 THR 1 3HG2 THR 1 1.365 1.154 0.859 8 H VAL 2 H VAL 2 1.863 -1.872 -0.138 9 HA VAL 2 HA VAL 2 3.811 -3.531 -1.476 10 HB VAL 2 HB VAL 2 1.663 -4.482 0.410 11 HG11 VAL 2 1HG1 VAL 2 2.926 -6.192 -0.822 12 HG12 VAL 2 2HG1 VAL 2 4.430 -5.528 -0.182 13 HG13 VAL 2 3HG1 VAL 2 3.249 -6.252 0.910 14 HG21 VAL 2 1HG2 VAL 2 4.371 -3.356 1.118 15 HG22 VAL 2 2HG2 VAL 2 2.813 -2.604 1.460 16 HG23 VAL 2 3HG2 VAL 2 3.249 -4.123 2.241 17 H TYR 3 H TYR 3 0.518 -2.705 -1.906 18 HA TYR 3 HA TYR 3 -0.664 -4.931 -2.973 19 HB2 TYR 3 2HB TYR 3 -2.193 -3.507 -4.033 20 HB3 TYR 3 3HB TYR 3 -1.599 -2.544 -2.685 21 HD1 TYR 3 HD1 TYR 3 0.557 -1.081 -3.299 22 HD2 TYR 3 HD2 TYR 3 -2.335 -2.477 -6.090 23 HE1 TYR 3 HE1 TYR 3 1.206 0.708 -4.856 24 HE2 TYR 3 HE2 TYR 3 -1.694 -0.692 -7.656 25 HH TYR 3 HH TYR 3 0.999 1.486 -6.956 26 H VAL 4 H VAL 4 1.769 -2.877 -4.429 27 HA VAL 4 HA VAL 4 1.553 -4.099 -7.032 28 HB VAL 4 HB VAL 4 3.818 -2.841 -7.337 29 HG11 VAL 4 1HG1 VAL 4 2.351 -1.672 -8.537 30 HG12 VAL 4 2HG1 VAL 4 1.051 -1.986 -7.386 31 HG13 VAL 4 3HG1 VAL 4 2.153 -0.634 -7.126 32 HG21 VAL 4 1HG2 VAL 4 3.659 -2.511 -4.666 33 HG22 VAL 4 2HG2 VAL 4 4.535 -1.418 -5.738 34 HG23 VAL 4 3HG2 VAL 4 2.900 -1.016 -5.213 35 H TYR 5 H TYR 5 3.688 -4.342 -4.234 36 HA TYR 5 HA TYR 5 5.674 -5.957 -5.366 37 HB2 TYR 5 2HB TYR 5 4.684 -5.620 -2.543 38 HB3 TYR 5 3HB TYR 5 5.990 -6.734 -2.933 39 HD1 TYR 5 HD1 TYR 5 4.982 -3.163 -3.216 40 HD2 TYR 5 HD2 TYR 5 8.189 -5.958 -3.107 41 HE1 TYR 5 HE1 TYR 5 6.590 -1.305 -3.102 42 HE2 TYR 5 HE2 TYR 5 9.805 -4.108 -2.992 43 HH TYR 5 HH TYR 5 8.807 -0.823 -2.498 44 H SER 6 H SER 6 2.471 -6.701 -4.251 45 HA SER 6 HA SER 6 2.960 -9.571 -4.304 46 HB2 SER 6 2HB SER 6 1.541 -8.701 -2.517 47 HB3 SER 6 3HB SER 6 0.446 -7.993 -3.704 48 HG SER 6 HG SER 6 1.006 -10.764 -3.433 49 H ARG 7 H ARG 7 1.561 -7.064 -6.258 50 HA ARG 7 HA ARG 7 0.111 -8.827 -7.997 51 HB2 ARG 7 2HB ARG 7 -0.872 -6.878 -8.468 52 HB3 ARG 7 3HB ARG 7 0.394 -5.991 -7.631 53 HG2 ARG 7 2HG ARG 7 1.754 -6.022 -9.667 54 HG3 ARG 7 3HG ARG 7 0.467 -6.892 -10.503 55 HD2 ARG 7 2HD ARG 7 -0.727 -4.640 -9.311 56 HD3 ARG 7 3HD ARG 7 0.765 -4.076 -10.062 57 HE ARG 7 HE ARG 7 -0.146 -4.495 -12.129 58 HH11 ARG 7 1HH1 ARG 7 -2.117 -5.965 -9.664 59 HH12 ARG 7 2HH1 ARG 7 -3.409 -6.358 -10.748 60 HH21 ARG 7 1HH2 ARG 7 -1.841 -5.006 -13.566 61 HH22 ARG 7 2HH2 ARG 7 -3.251 -5.813 -12.968 62 H VAL 8 H VAL 8 3.220 -7.142 -8.116 63 HA VAL 8 HA VAL 8 3.980 -7.661 -10.718 64 HB VAL 8 HB VAL 8 5.726 -7.641 -8.253 65 HG11 VAL 8 1HG1 VAL 8 7.352 -6.827 -10.231 66 HG12 VAL 8 2HG1 VAL 8 7.234 -8.505 -9.699 67 HG13 VAL 8 3HG1 VAL 8 6.341 -7.965 -11.121 68 HG21 VAL 8 1HG2 VAL 8 4.233 -5.603 -9.185 69 HG22 VAL 8 2HG2 VAL 8 5.788 -5.386 -8.381 70 HG23 VAL 8 3HG2 VAL 8 5.698 -5.376 -10.142 71 H LYS 9 H LYS 9 5.042 -9.603 -7.918 72 HA LYS 9 HA LYS 9 6.087 -11.730 -9.363 73 HB2 LYS 9 2HB LYS 9 4.992 -11.472 -6.584 74 HB3 LYS 9 3HB LYS 9 5.475 -13.050 -7.191 75 HG2 LYS 9 2HG LYS 9 7.579 -12.605 -6.685 76 HG3 LYS 9 3HG LYS 9 7.558 -11.219 -7.778 77 HD2 LYS 9 2HD LYS 9 6.654 -9.823 -5.972 78 HD3 LYS 9 3HD LYS 9 6.700 -11.211 -4.883 79 HE2 LYS 9 2HE LYS 9 9.146 -10.191 -6.304 80 HE3 LYS 9 3HE LYS 9 8.633 -9.561 -4.739 81 HZ1 LYS 9 1HZ LYS 9 10.306 -11.559 -4.937 82 HZ2 LYS 9 2HZ LYS 9 8.879 -12.461 -5.031 83 HZ3 LYS 9 3HZ LYS 9 9.173 -11.483 -3.682 Start of MODEL 9 1 H1 THR 1 H THR 1 2.174 -0.029 0.476 2 HA THR 1 HA THR 1 1.597 0.565 -2.349 3 HB THR 1 HB THR 1 4.417 0.230 -1.703 4 HG1 THR 1 HG1 THR 1 2.927 2.261 -0.367 5 HG21 THR 1 1HG2 THR 1 4.679 1.963 -3.177 6 HG22 THR 1 2HG2 THR 1 3.222 2.793 -2.631 7 HG23 THR 1 3HG2 THR 1 3.093 1.385 -3.684 8 H VAL 2 H VAL 2 2.159 -1.959 -0.196 9 HA VAL 2 HA VAL 2 3.716 -3.766 -1.613 10 HB VAL 2 HB VAL 2 1.303 -4.560 0.010 11 HG11 VAL 2 1HG1 VAL 2 2.606 -6.538 0.526 12 HG12 VAL 2 2HG1 VAL 2 2.470 -6.344 -1.223 13 HG13 VAL 2 3HG1 VAL 2 3.969 -5.910 -0.400 14 HG21 VAL 2 1HG2 VAL 2 3.996 -3.583 0.916 15 HG22 VAL 2 2HG2 VAL 2 2.400 -3.018 1.410 16 HG23 VAL 2 3HG2 VAL 2 2.975 -4.602 1.930 17 H TYR 3 H TYR 3 0.536 -2.637 -2.268 18 HA TYR 3 HA TYR 3 -0.806 -4.583 -3.542 19 HB2 TYR 3 2HB TYR 3 -0.420 -1.929 -4.913 20 HB3 TYR 3 3HB TYR 3 -1.857 -2.945 -4.884 21 HD1 TYR 3 HD1 TYR 3 0.086 -0.432 -3.092 22 HD2 TYR 3 HD2 TYR 3 -3.304 -2.997 -2.906 23 HE1 TYR 3 HE1 TYR 3 -0.778 0.859 -1.186 24 HE2 TYR 3 HE2 TYR 3 -4.178 -1.712 -0.999 25 HH TYR 3 HH TYR 3 -3.970 0.267 0.138 26 H VAL 4 H VAL 4 1.538 -2.540 -5.296 27 HA VAL 4 HA VAL 4 1.608 -4.101 -7.618 28 HB VAL 4 HB VAL 4 3.879 -2.994 -7.982 29 HG11 VAL 4 1HG1 VAL 4 1.891 -0.871 -7.394 30 HG12 VAL 4 2HG1 VAL 4 2.844 -1.161 -8.851 31 HG13 VAL 4 3HG1 VAL 4 1.420 -2.146 -8.517 32 HG21 VAL 4 1HG2 VAL 4 4.391 -2.672 -5.590 33 HG22 VAL 4 2HG2 VAL 4 4.475 -1.168 -6.507 34 HG23 VAL 4 3HG2 VAL 4 3.076 -1.501 -5.486 35 H TYR 5 H TYR 5 3.612 -4.191 -4.704 36 HA TYR 5 HA TYR 5 5.540 -6.011 -5.555 37 HB2 TYR 5 2HB TYR 5 4.369 -5.563 -2.804 38 HB3 TYR 5 3HB TYR 5 5.786 -6.560 -3.116 39 HD1 TYR 5 HD1 TYR 5 7.922 -5.587 -3.367 40 HD2 TYR 5 HD2 TYR 5 4.465 -3.105 -3.354 41 HE1 TYR 5 HE1 TYR 5 9.359 -3.596 -3.222 42 HE2 TYR 5 HE2 TYR 5 5.893 -1.108 -3.210 43 HH TYR 5 HH TYR 5 9.072 -1.179 -2.347 44 H SER 6 H SER 6 2.221 -6.490 -4.748 45 HA SER 6 HA SER 6 2.527 -9.371 -4.452 46 HB2 SER 6 2HB SER 6 0.941 -8.051 -3.014 47 HB3 SER 6 3HB SER 6 -0.029 -7.753 -4.456 48 HG SER 6 HG SER 6 0.352 -10.113 -3.014 49 H ARG 7 H ARG 7 1.518 -7.016 -6.804 50 HA ARG 7 HA ARG 7 0.201 -8.883 -8.536 51 HB2 ARG 7 2HB ARG 7 -0.600 -6.953 -9.320 52 HB3 ARG 7 3HB ARG 7 0.601 -6.041 -8.416 53 HG2 ARG 7 2HG ARG 7 2.200 -6.344 -10.245 54 HG3 ARG 7 3HG ARG 7 0.980 -7.239 -11.152 55 HD2 ARG 7 2HD ARG 7 0.736 -4.375 -10.236 56 HD3 ARG 7 3HD ARG 7 1.145 -4.894 -11.871 57 HE ARG 7 HE ARG 7 -1.463 -4.859 -10.665 58 HH11 ARG 7 1HH1 ARG 7 0.534 -6.308 -13.121 59 HH12 ARG 7 2HH1 ARG 7 -0.803 -6.771 -14.120 60 HH21 ARG 7 1HH2 ARG 7 -3.232 -5.464 -11.971 61 HH22 ARG 7 2HH2 ARG 7 -2.945 -6.290 -13.465 62 H VAL 8 H VAL 8 3.394 -7.364 -8.418 63 HA VAL 8 HA VAL 8 4.442 -8.178 -10.835 64 HB VAL 8 HB VAL 8 5.964 -8.147 -8.227 65 HG11 VAL 8 1HG1 VAL 8 7.688 -7.242 -10.067 66 HG12 VAL 8 2HG1 VAL 8 7.532 -8.949 -9.649 67 HG13 VAL 8 3HG1 VAL 8 6.719 -8.312 -11.079 68 HG21 VAL 8 1HG2 VAL 8 4.608 -6.028 -9.565 69 HG22 VAL 8 2HG2 VAL 8 5.600 -5.959 -8.109 70 HG23 VAL 8 3HG2 VAL 8 6.347 -5.761 -9.694 71 H LYS 9 H LYS 9 5.021 -9.892 -7.759 72 HA LYS 9 HA LYS 9 5.397 -12.365 -9.297 73 HB2 LYS 9 2HB LYS 9 6.472 -13.213 -7.201 74 HB3 LYS 9 3HB LYS 9 7.299 -11.845 -7.935 75 HG2 LYS 9 2HG LYS 9 5.359 -10.922 -6.031 76 HG3 LYS 9 3HG LYS 9 6.438 -12.106 -5.289 77 HD2 LYS 9 2HD LYS 9 8.272 -10.673 -6.561 78 HD3 LYS 9 3HD LYS 9 7.038 -9.419 -6.412 79 HE2 LYS 9 2HE LYS 9 7.809 -9.053 -4.356 80 HE3 LYS 9 3HE LYS 9 7.119 -10.612 -3.906 81 HZ1 LYS 9 1HZ LYS 9 9.830 -10.400 -5.063 82 HZ2 LYS 9 2HZ LYS 9 9.162 -11.672 -4.172 83 HZ3 LYS 9 3HZ LYS 9 9.564 -10.221 -3.402 Start of MODEL 10 1 H1 THR 1 H THR 1 2.322 0.054 0.558 2 HA THR 1 HA THR 1 1.611 0.519 -2.252 3 HB THR 1 HB THR 1 4.462 0.231 -1.634 4 HG1 THR 1 HG1 THR 1 2.860 2.148 -0.306 5 HG21 THR 1 1HG2 THR 1 4.615 1.560 -3.424 6 HG22 THR 1 2HG2 THR 1 3.569 2.777 -2.691 7 HG23 THR 1 3HG2 THR 1 2.864 1.423 -3.574 8 H VAL 2 H VAL 2 2.289 -1.970 -0.093 9 HA VAL 2 HA VAL 2 3.812 -3.772 -1.563 10 HB VAL 2 HB VAL 2 1.501 -4.578 0.198 11 HG11 VAL 2 1HG1 VAL 2 2.613 -6.369 -1.062 12 HG12 VAL 2 2HG1 VAL 2 4.159 -5.895 -0.354 13 HG13 VAL 2 3HG1 VAL 2 2.872 -6.526 0.675 14 HG21 VAL 2 1HG2 VAL 2 4.228 -3.558 0.946 15 HG22 VAL 2 2HG2 VAL 2 2.654 -2.995 1.509 16 HG23 VAL 2 3HG2 VAL 2 3.266 -4.566 2.028 17 H TYR 3 H TYR 3 0.593 -2.692 -2.077 18 HA TYR 3 HA TYR 3 -0.795 -4.672 -3.242 19 HB2 TYR 3 2HB TYR 3 -0.491 -2.050 -4.693 20 HB3 TYR 3 3HB TYR 3 -1.919 -3.070 -4.569 21 HD1 TYR 3 HD1 TYR 3 0.090 -0.499 -2.944 22 HD2 TYR 3 HD2 TYR 3 -3.260 -3.086 -2.514 23 HE1 TYR 3 HE1 TYR 3 -0.686 0.835 -1.029 24 HE2 TYR 3 HE2 TYR 3 -4.047 -1.758 -0.598 25 HH TYR 3 HH TYR 3 -3.808 0.424 0.352 26 H VAL 4 H VAL 4 1.445 -2.658 -5.158 27 HA VAL 4 HA VAL 4 1.414 -4.279 -7.441 28 HB VAL 4 HB VAL 4 3.645 -3.162 -7.956 29 HG11 VAL 4 1HG1 VAL 4 2.535 -1.389 -8.826 30 HG12 VAL 4 2HG1 VAL 4 1.128 -2.322 -8.311 31 HG13 VAL 4 3HG1 VAL 4 1.731 -1.004 -7.305 32 HG21 VAL 4 1HG2 VAL 4 3.395 -2.492 -5.179 33 HG22 VAL 4 2HG2 VAL 4 4.749 -2.215 -6.275 34 HG23 VAL 4 3HG2 VAL 4 3.459 -1.020 -6.148 35 H TYR 5 H TYR 5 3.568 -4.271 -4.634 36 HA TYR 5 HA TYR 5 5.465 -6.099 -5.531 37 HB2 TYR 5 2HB TYR 5 4.430 -5.591 -2.737 38 HB3 TYR 5 3HB TYR 5 5.841 -6.580 -3.095 39 HD1 TYR 5 HD1 TYR 5 7.949 -5.591 -3.479 40 HD2 TYR 5 HD2 TYR 5 4.470 -3.146 -3.354 41 HE1 TYR 5 HE1 TYR 5 9.369 -3.583 -3.458 42 HE2 TYR 5 HE2 TYR 5 5.879 -1.131 -3.333 43 HH TYR 5 HH TYR 5 9.047 -1.094 -4.171 44 H SER 6 H SER 6 2.194 -6.583 -4.560 45 HA SER 6 HA SER 6 2.542 -9.452 -4.198 46 HB2 SER 6 2HB SER 6 0.876 -7.716 -2.967 47 HB3 SER 6 3HB SER 6 -0.186 -8.294 -4.251 48 HG SER 6 HG SER 6 -0.123 -9.518 -2.184 49 H ARG 7 H ARG 7 1.364 -7.168 -6.549 50 HA ARG 7 HA ARG 7 -0.005 -9.094 -8.166 51 HB2 ARG 7 2HB ARG 7 -0.869 -7.194 -8.959 52 HB3 ARG 7 3HB ARG 7 0.364 -6.246 -8.139 53 HG2 ARG 7 2HG ARG 7 1.875 -6.575 -10.036 54 HG3 ARG 7 3HG ARG 7 0.623 -7.508 -10.860 55 HD2 ARG 7 2HD ARG 7 -0.545 -5.068 -10.042 56 HD3 ARG 7 3HD ARG 7 1.005 -4.680 -10.788 57 HE ARG 7 HE ARG 7 -1.340 -5.727 -12.092 58 HH11 ARG 7 1HH1 ARG 7 2.118 -5.356 -12.247 59 HH12 ARG 7 2HH1 ARG 7 2.189 -5.516 -13.971 60 HH21 ARG 7 1HH2 ARG 7 -1.260 -5.938 -14.362 61 HH22 ARG 7 2HH2 ARG 7 0.267 -5.846 -15.173 62 H VAL 8 H VAL 8 3.171 -7.537 -8.252 63 HA VAL 8 HA VAL 8 4.105 -8.400 -10.697 64 HB VAL 8 HB VAL 8 5.753 -8.287 -8.168 65 HG11 VAL 8 1HG1 VAL 8 7.384 -7.424 -10.107 66 HG12 VAL 8 2HG1 VAL 8 7.253 -9.122 -9.647 67 HG13 VAL 8 3HG1 VAL 8 6.372 -8.517 -11.051 68 HG21 VAL 8 1HG2 VAL 8 4.319 -6.217 -9.509 69 HG22 VAL 8 2HG2 VAL 8 5.364 -6.102 -8.093 70 HG23 VAL 8 3HG2 VAL 8 6.049 -5.939 -9.710 71 H LYS 9 H LYS 9 4.861 -10.033 -7.615 72 HA LYS 9 HA LYS 9 5.757 -12.407 -8.876 73 HB2 LYS 9 2HB LYS 9 4.954 -11.804 -6.030 74 HB3 LYS 9 3HB LYS 9 5.582 -13.366 -6.538 75 HG2 LYS 9 2HG LYS 9 7.617 -12.586 -6.151 76 HG3 LYS 9 3HG LYS 9 7.401 -11.498 -7.524 77 HD2 LYS 9 2HD LYS 9 6.062 -10.183 -5.536 78 HD3 LYS 9 3HD LYS 9 7.392 -10.933 -4.650 79 HE2 LYS 9 2HE LYS 9 8.998 -9.749 -5.792 80 HE3 LYS 9 3HE LYS 9 7.977 -9.529 -7.213 81 HZ1 LYS 9 1HZ LYS 9 6.822 -8.246 -4.975 82 HZ2 LYS 9 2HZ LYS 9 7.320 -7.574 -6.445 83 HZ3 LYS 9 3HZ LYS 9 8.419 -7.720 -5.167 Start of MODEL 11 1 H1 THR 1 H THR 1 1.918 -0.475 0.693 2 HA THR 1 HA THR 1 1.338 0.138 -2.119 3 HB THR 1 HB THR 1 4.149 0.096 -1.181 4 HG1 THR 1 HG1 THR 1 2.203 1.943 -0.247 5 HG21 THR 1 1HG2 THR 1 3.870 0.822 -3.386 6 HG22 THR 1 2HG2 THR 1 4.036 2.323 -2.475 7 HG23 THR 1 3HG2 THR 1 2.441 1.776 -2.990 8 H VAL 2 H VAL 2 1.670 -2.518 -0.315 9 HA VAL 2 HA VAL 2 3.582 -4.005 -1.864 10 HB VAL 2 HB VAL 2 1.495 -5.207 -0.060 11 HG11 VAL 2 1HG1 VAL 2 4.334 -6.063 -0.590 12 HG12 VAL 2 2HG1 VAL 2 3.061 -6.977 0.221 13 HG13 VAL 2 3HG1 VAL 2 2.950 -6.653 -1.509 14 HG21 VAL 2 1HG2 VAL 2 4.115 -3.942 0.737 15 HG22 VAL 2 2HG2 VAL 2 2.499 -3.410 1.203 16 HG23 VAL 2 3HG2 VAL 2 3.122 -4.953 1.788 17 H TYR 3 H TYR 3 0.230 -3.277 -2.101 18 HA TYR 3 HA TYR 3 -0.928 -5.392 -3.351 19 HB2 TYR 3 2HB TYR 3 -2.411 -3.854 -4.445 20 HB3 TYR 3 3HB TYR 3 -2.003 -3.178 -2.872 21 HD1 TYR 3 HD1 TYR 3 -2.375 -2.430 -6.257 22 HD2 TYR 3 HD2 TYR 3 0.138 -1.574 -2.932 23 HE1 TYR 3 HE1 TYR 3 -1.651 -0.348 -7.348 24 HE2 TYR 3 HE2 TYR 3 0.868 0.512 -4.013 25 HH TYR 3 HH TYR 3 1.019 1.407 -6.369 26 H VAL 4 H VAL 4 1.366 -3.119 -4.754 27 HA VAL 4 HA VAL 4 1.177 -4.310 -7.384 28 HB VAL 4 HB VAL 4 3.225 -2.779 -7.789 29 HG11 VAL 4 1HG1 VAL 4 1.375 -0.767 -7.396 30 HG12 VAL 4 2HG1 VAL 4 1.531 -1.774 -8.837 31 HG13 VAL 4 3HG1 VAL 4 0.384 -2.215 -7.572 32 HG21 VAL 4 1HG2 VAL 4 3.938 -1.377 -6.185 33 HG22 VAL 4 2HG2 VAL 4 2.309 -1.085 -5.574 34 HG23 VAL 4 3HG2 VAL 4 3.190 -2.532 -5.082 35 H TYR 5 H TYR 5 3.386 -4.354 -4.642 36 HA TYR 5 HA TYR 5 5.567 -5.625 -5.807 37 HB2 TYR 5 2HB TYR 5 4.477 -5.522 -3.020 38 HB3 TYR 5 3HB TYR 5 5.819 -6.601 -3.383 39 HD1 TYR 5 HD1 TYR 5 4.807 -3.040 -3.907 40 HD2 TYR 5 HD2 TYR 5 7.964 -5.784 -3.130 41 HE1 TYR 5 HE1 TYR 5 6.373 -1.159 -3.666 42 HE2 TYR 5 HE2 TYR 5 9.539 -3.911 -2.885 43 HH TYR 5 HH TYR 5 9.471 -1.304 -3.916 44 H SER 6 H SER 6 2.452 -6.860 -4.986 45 HA SER 6 HA SER 6 3.265 -9.632 -5.003 46 HB2 SER 6 2HB SER 6 1.429 -9.128 -3.572 47 HB3 SER 6 3HB SER 6 0.577 -8.264 -4.852 48 HG SER 6 HG SER 6 -0.384 -10.169 -4.958 49 H ARG 7 H ARG 7 2.088 -7.286 -7.264 50 HA ARG 7 HA ARG 7 1.187 -9.149 -9.237 51 HB2 ARG 7 2HB ARG 7 2.052 -6.345 -9.866 52 HB3 ARG 7 3HB ARG 7 0.765 -7.295 -10.596 53 HG2 ARG 7 2HG ARG 7 -0.588 -7.060 -8.609 54 HG3 ARG 7 3HG ARG 7 0.720 -6.204 -7.790 55 HD2 ARG 7 2HD ARG 7 0.553 -4.362 -9.302 56 HD3 ARG 7 3HD ARG 7 -0.567 -5.245 -10.339 57 HE ARG 7 HE ARG 7 -1.199 -3.811 -7.934 58 HH11 ARG 7 1HH1 ARG 7 -2.167 -6.402 -10.049 59 HH12 ARG 7 2HH1 ARG 7 -3.834 -6.336 -9.579 60 HH21 ARG 7 1HH2 ARG 7 -3.390 -3.715 -7.308 61 HH22 ARG 7 2HH2 ARG 7 -4.528 -4.807 -8.021 62 H VAL 8 H VAL 8 4.069 -7.067 -8.982 63 HA VAL 8 HA VAL 8 5.407 -7.752 -11.261 64 HB VAL 8 HB VAL 8 6.735 -7.459 -8.565 65 HG11 VAL 8 1HG1 VAL 8 8.440 -6.318 -10.239 66 HG12 VAL 8 2HG1 VAL 8 8.466 -8.055 -9.927 67 HG13 VAL 8 3HG1 VAL 8 7.684 -7.430 -11.380 68 HG21 VAL 8 1HG2 VAL 8 5.674 -5.470 -8.563 69 HG22 VAL 8 2HG2 VAL 8 6.939 -5.019 -9.706 70 HG23 VAL 8 3HG2 VAL 8 5.354 -5.518 -10.297 71 H LYS 9 H LYS 9 6.036 -9.343 -8.129 72 HA LYS 9 HA LYS 9 7.384 -11.538 -9.362 73 HB2 LYS 9 2HB LYS 9 7.454 -12.490 -7.099 74 HB3 LYS 9 3HB LYS 9 7.967 -10.808 -7.107 75 HG2 LYS 9 2HG LYS 9 5.490 -10.322 -6.497 76 HG3 LYS 9 3HG LYS 9 5.470 -12.019 -6.011 77 HD2 LYS 9 2HD LYS 9 7.588 -11.450 -4.673 78 HD3 LYS 9 3HD LYS 9 7.122 -9.764 -4.914 79 HE2 LYS 9 2HE LYS 9 4.840 -10.462 -3.985 80 HE3 LYS 9 3HE LYS 9 5.651 -11.930 -3.441 81 HZ1 LYS 9 1HZ LYS 9 6.429 -10.835 -1.699 82 HZ2 LYS 9 2HZ LYS 9 5.589 -9.449 -2.184 83 HZ3 LYS 9 3HZ LYS 9 7.184 -9.693 -2.693 Start of MODEL 12 1 H1 THR 1 H THR 1 1.718 -0.103 0.552 2 HA THR 1 HA THR 1 1.250 0.382 -2.306 3 HB THR 1 HB THR 1 4.028 0.221 -1.287 4 HG1 THR 1 HG1 THR 1 3.851 2.373 -0.441 5 HG21 THR 1 1HG2 THR 1 2.477 1.911 -3.226 6 HG22 THR 1 2HG2 THR 1 3.838 0.833 -3.539 7 HG23 THR 1 3HG2 THR 1 4.099 2.365 -2.706 8 H VAL 2 H VAL 2 1.368 -2.181 -0.348 9 HA VAL 2 HA VAL 2 3.221 -3.869 -1.756 10 HB VAL 2 HB VAL 2 1.018 -4.835 0.053 11 HG11 VAL 2 1HG1 VAL 2 2.413 -6.449 -1.273 12 HG12 VAL 2 2HG1 VAL 2 3.808 -5.896 -0.345 13 HG13 VAL 2 3HG1 VAL 2 2.457 -6.680 0.475 14 HG21 VAL 2 1HG2 VAL 2 2.103 -3.034 1.239 15 HG22 VAL 2 2HG2 VAL 2 2.609 -4.576 1.929 16 HG23 VAL 2 3HG2 VAL 2 3.693 -3.694 0.853 17 H TYR 3 H TYR 3 -0.073 -2.953 -2.128 18 HA TYR 3 HA TYR 3 -1.329 -5.061 -3.291 19 HB2 TYR 3 2HB TYR 3 -2.686 -3.500 -4.510 20 HB3 TYR 3 3HB TYR 3 -2.275 -2.761 -2.966 21 HD1 TYR 3 HD1 TYR 3 -0.036 -1.298 -3.055 22 HD2 TYR 3 HD2 TYR 3 -2.519 -2.185 -6.394 23 HE1 TYR 3 HE1 TYR 3 0.850 0.673 -4.229 24 HE2 TYR 3 HE2 TYR 3 -1.639 -0.217 -7.578 25 HH TYR 3 HH TYR 3 1.018 1.245 -6.996 26 H VAL 4 H VAL 4 1.134 -3.013 -4.754 27 HA VAL 4 HA VAL 4 0.937 -4.337 -7.318 28 HB VAL 4 HB VAL 4 3.088 -2.963 -7.748 29 HG11 VAL 4 1HG1 VAL 4 1.360 -0.820 -7.518 30 HG12 VAL 4 2HG1 VAL 4 1.489 -1.914 -8.897 31 HG13 VAL 4 3HG1 VAL 4 0.285 -2.212 -7.643 32 HG21 VAL 4 1HG2 VAL 4 3.000 -2.563 -5.061 33 HG22 VAL 4 2HG2 VAL 4 3.850 -1.520 -6.201 34 HG23 VAL 4 3HG2 VAL 4 2.228 -1.093 -5.656 35 H TYR 5 H TYR 5 3.071 -4.364 -4.517 36 HA TYR 5 HA TYR 5 5.191 -5.837 -5.553 37 HB2 TYR 5 2HB TYR 5 4.051 -5.507 -2.802 38 HB3 TYR 5 3HB TYR 5 5.339 -6.675 -3.074 39 HD1 TYR 5 HD1 TYR 5 7.513 -5.960 -2.788 40 HD2 TYR 5 HD2 TYR 5 4.541 -3.104 -3.844 41 HE1 TYR 5 HE1 TYR 5 9.185 -4.164 -2.612 42 HE2 TYR 5 HE2 TYR 5 6.205 -1.300 -3.672 43 HH TYR 5 HH TYR 5 8.328 -0.850 -2.616 44 H SER 6 H SER 6 1.986 -6.818 -4.746 45 HA SER 6 HA SER 6 2.616 -9.633 -4.574 46 HB2 SER 6 2HB SER 6 0.549 -8.111 -3.616 47 HB3 SER 6 3HB SER 6 -0.197 -8.886 -5.013 48 HG SER 6 HG SER 6 -0.051 -10.780 -4.060 49 H ARG 7 H ARG 7 1.652 -7.359 -7.004 50 HA ARG 7 HA ARG 7 0.675 -9.275 -8.887 51 HB2 ARG 7 2HB ARG 7 1.752 -6.581 -9.657 52 HB3 ARG 7 3HB ARG 7 0.422 -7.485 -10.368 53 HG2 ARG 7 2HG ARG 7 -0.963 -7.039 -8.438 54 HG3 ARG 7 3HG ARG 7 0.379 -6.218 -7.638 55 HD2 ARG 7 2HD ARG 7 0.358 -4.454 -9.225 56 HD3 ARG 7 3HD ARG 7 -0.733 -5.338 -10.291 57 HE ARG 7 HE ARG 7 -1.814 -4.771 -7.679 58 HH11 ARG 7 1HH1 ARG 7 -1.411 -3.638 -10.946 59 HH12 ARG 7 2HH1 ARG 7 -2.776 -2.573 -10.883 60 HH21 ARG 7 1HH2 ARG 7 -3.614 -3.373 -7.584 61 HH22 ARG 7 2HH2 ARG 7 -4.028 -2.422 -8.971 62 H VAL 8 H VAL 8 3.687 -7.378 -8.686 63 HA VAL 8 HA VAL 8 5.028 -8.302 -10.876 64 HB VAL 8 HB VAL 8 6.310 -7.916 -8.169 65 HG11 VAL 8 1HG1 VAL 8 8.140 -7.018 -9.838 66 HG12 VAL 8 2HG1 VAL 8 8.012 -8.738 -9.461 67 HG13 VAL 8 3HG1 VAL 8 7.326 -8.108 -10.959 68 HG21 VAL 8 1HG2 VAL 8 5.363 -5.872 -8.337 69 HG22 VAL 8 2HG2 VAL 8 6.709 -5.576 -9.437 70 HG23 VAL 8 3HG2 VAL 8 5.124 -6.006 -10.079 71 H LYS 9 H LYS 9 5.474 -9.717 -7.629 72 HA LYS 9 HA LYS 9 6.574 -12.128 -8.778 73 HB2 LYS 9 2HB LYS 9 6.173 -11.077 -6.006 74 HB3 LYS 9 3HB LYS 9 6.456 -12.798 -6.234 75 HG2 LYS 9 2HG LYS 9 8.630 -12.488 -6.557 76 HG3 LYS 9 3HG LYS 9 8.348 -11.194 -7.724 77 HD2 LYS 9 2HD LYS 9 9.400 -9.995 -6.093 78 HD3 LYS 9 3HD LYS 9 7.737 -9.850 -5.521 79 HE2 LYS 9 2HE LYS 9 9.210 -10.434 -3.685 80 HE3 LYS 9 3HE LYS 9 8.101 -11.761 -4.023 81 HZ1 LYS 9 1HZ LYS 9 10.807 -11.696 -5.203 82 HZ2 LYS 9 2HZ LYS 9 9.783 -13.023 -4.978 83 HZ3 LYS 9 3HZ LYS 9 10.548 -12.312 -3.648 Start of MODEL 13 1 H1 THR 1 H THR 1 2.461 1.040 -3.211 2 HA THR 1 HA THR 1 3.084 0.538 -0.373 3 HB THR 1 HB THR 1 0.611 -0.705 -1.257 4 HG1 THR 1 HG1 THR 1 -0.550 1.316 -1.354 5 HG21 THR 1 1HG2 THR 1 1.516 1.063 0.991 6 HG22 THR 1 2HG2 THR 1 0.973 -0.614 1.046 7 HG23 THR 1 3HG2 THR 1 -0.191 0.681 0.772 8 H VAL 2 H VAL 2 1.962 -1.938 -0.087 9 HA VAL 2 HA VAL 2 3.883 -3.590 -1.470 10 HB VAL 2 HB VAL 2 1.724 -4.557 0.394 11 HG11 VAL 2 1HG1 VAL 2 4.473 -5.627 -0.232 12 HG12 VAL 2 2HG1 VAL 2 3.286 -6.362 0.847 13 HG13 VAL 2 3HG1 VAL 2 2.959 -6.253 -0.883 14 HG21 VAL 2 1HG2 VAL 2 4.449 -3.490 1.126 15 HG22 VAL 2 2HG2 VAL 2 2.903 -2.724 1.490 16 HG23 VAL 2 3HG2 VAL 2 3.317 -4.269 2.231 17 H TYR 3 H TYR 3 0.603 -2.704 -1.874 18 HA TYR 3 HA TYR 3 -0.614 -4.884 -2.996 19 HB2 TYR 3 2HB TYR 3 -2.123 -3.410 -4.017 20 HB3 TYR 3 3HB TYR 3 -1.513 -2.492 -2.645 21 HD1 TYR 3 HD1 TYR 3 -2.251 -2.327 -6.046 22 HD2 TYR 3 HD2 TYR 3 0.665 -1.047 -3.224 23 HE1 TYR 3 HE1 TYR 3 -1.586 -0.511 -7.566 24 HE2 TYR 3 HE2 TYR 3 1.337 0.774 -4.736 25 HH TYR 3 HH TYR 3 -0.315 1.996 -6.992 26 H VAL 4 H VAL 4 1.848 -2.830 -4.402 27 HA VAL 4 HA VAL 4 1.610 -3.979 -7.036 28 HB VAL 4 HB VAL 4 3.894 -2.750 -7.311 29 HG11 VAL 4 1HG1 VAL 4 2.263 -0.524 -7.037 30 HG12 VAL 4 2HG1 VAL 4 2.443 -1.526 -8.478 31 HG13 VAL 4 3HG1 VAL 4 1.142 -1.852 -7.333 32 HG21 VAL 4 1HG2 VAL 4 4.635 -1.382 -5.677 33 HG22 VAL 4 2HG2 VAL 4 3.008 -0.966 -5.138 34 HG23 VAL 4 3HG2 VAL 4 3.744 -2.487 -4.630 35 H TYR 5 H TYR 5 3.744 -4.331 -4.248 36 HA TYR 5 HA TYR 5 5.700 -5.950 -5.428 37 HB2 TYR 5 2HB TYR 5 4.731 -5.653 -2.594 38 HB3 TYR 5 3HB TYR 5 6.008 -6.789 -3.012 39 HD1 TYR 5 HD1 TYR 5 8.227 -6.051 -3.369 40 HD2 TYR 5 HD2 TYR 5 5.083 -3.204 -3.029 41 HE1 TYR 5 HE1 TYR 5 9.888 -4.243 -3.227 42 HE2 TYR 5 HE2 TYR 5 6.736 -1.388 -2.887 43 HH TYR 5 HH TYR 5 10.189 -2.056 -2.711 44 H SER 6 H SER 6 2.488 -6.662 -4.326 45 HA SER 6 HA SER 6 2.928 -9.540 -4.442 46 HB2 SER 6 2HB SER 6 1.002 -7.785 -3.182 47 HB3 SER 6 3HB SER 6 0.187 -9.049 -4.102 48 HG SER 6 HG SER 6 1.487 -10.574 -2.963 49 H ARG 7 H ARG 7 1.604 -6.965 -6.347 50 HA ARG 7 HA ARG 7 0.111 -8.670 -8.118 51 HB2 ARG 7 2HB ARG 7 -0.867 -6.669 -8.392 52 HB3 ARG 7 3HB ARG 7 0.528 -5.811 -7.752 53 HG2 ARG 7 2HG ARG 7 0.175 -5.066 -9.979 54 HG3 ARG 7 3HG ARG 7 1.621 -6.078 -9.978 55 HD2 ARG 7 2HD ARG 7 0.715 -7.463 -11.461 56 HD3 ARG 7 3HD ARG 7 -0.706 -7.691 -10.442 57 HE ARG 7 HE ARG 7 -0.465 -5.952 -12.728 58 HH11 ARG 7 1HH1 ARG 7 -2.215 -6.643 -9.799 59 HH12 ARG 7 2HH1 ARG 7 -3.655 -5.829 -10.313 60 HH21 ARG 7 1HH2 ARG 7 -2.355 -4.878 -13.416 61 HH22 ARG 7 2HH2 ARG 7 -3.734 -4.826 -12.371 62 H VAL 8 H VAL 8 3.252 -7.060 -8.157 63 HA VAL 8 HA VAL 8 4.000 -7.484 -10.789 64 HB VAL 8 HB VAL 8 5.735 -7.556 -8.318 65 HG11 VAL 8 1HG1 VAL 8 7.443 -6.777 -10.181 66 HG12 VAL 8 2HG1 VAL 8 7.174 -8.485 -9.829 67 HG13 VAL 8 3HG1 VAL 8 6.380 -7.733 -11.213 68 HG21 VAL 8 1HG2 VAL 8 5.683 -5.325 -8.320 69 HG22 VAL 8 2HG2 VAL 8 5.915 -5.240 -10.066 70 HG23 VAL 8 3HG2 VAL 8 4.297 -5.465 -9.402 71 H LYS 9 H LYS 9 5.028 -9.533 -8.053 72 HA LYS 9 HA LYS 9 5.297 -11.773 -9.935 73 HB2 LYS 9 2HB LYS 9 6.765 -12.794 -8.287 74 HB3 LYS 9 3HB LYS 9 7.313 -11.164 -8.655 75 HG2 LYS 9 2HG LYS 9 5.822 -10.580 -6.549 76 HG3 LYS 9 3HG LYS 9 6.165 -12.265 -6.153 77 HD2 LYS 9 2HD LYS 9 8.480 -11.889 -6.074 78 HD3 LYS 9 3HD LYS 9 8.346 -10.351 -6.930 79 HE2 LYS 9 2HE LYS 9 8.320 -9.332 -4.955 80 HE3 LYS 9 3HE LYS 9 6.756 -10.082 -4.645 81 HZ1 LYS 9 1HZ LYS 9 9.386 -11.291 -3.983 82 HZ2 LYS 9 2HZ LYS 9 7.869 -11.952 -3.633 83 HZ3 LYS 9 3HZ LYS 9 8.363 -10.522 -2.876 Start of MODEL 14 1 H1 THR 1 H THR 1 2.437 1.078 -3.214 2 HA THR 1 HA THR 1 3.038 0.594 -0.368 3 HB THR 1 HB THR 1 0.573 -0.656 -1.263 4 HG1 THR 1 HG1 THR 1 0.313 1.168 -2.552 5 HG21 THR 1 1HG2 THR 1 1.456 1.131 0.980 6 HG22 THR 1 2HG2 THR 1 0.920 -0.548 1.042 7 HG23 THR 1 3HG2 THR 1 -0.248 0.740 0.750 8 H VAL 2 H VAL 2 1.914 -1.880 -0.075 9 HA VAL 2 HA VAL 2 3.847 -3.540 -1.433 10 HB VAL 2 HB VAL 2 1.673 -4.496 0.421 11 HG11 VAL 2 1HG1 VAL 2 3.232 -6.297 0.897 12 HG12 VAL 2 2HG1 VAL 2 2.919 -6.201 -0.837 13 HG13 VAL 2 3HG1 VAL 2 4.428 -5.570 -0.176 14 HG21 VAL 2 1HG2 VAL 2 4.393 -3.425 1.167 15 HG22 VAL 2 2HG2 VAL 2 2.844 -2.656 1.514 16 HG23 VAL 2 3HG2 VAL 2 3.252 -4.197 2.268 17 H TYR 3 H TYR 3 0.570 -2.658 -1.868 18 HA TYR 3 HA TYR 3 -0.638 -4.845 -2.985 19 HB2 TYR 3 2HB TYR 3 -2.139 -3.379 -4.028 20 HB3 TYR 3 3HB TYR 3 -1.541 -2.452 -2.656 21 HD1 TYR 3 HD1 TYR 3 -2.251 -2.308 -6.065 22 HD2 TYR 3 HD2 TYR 3 0.641 -1.009 -3.228 23 HE1 TYR 3 HE1 TYR 3 -1.575 -0.501 -7.591 24 HE2 TYR 3 HE2 TYR 3 1.325 0.802 -4.745 25 HH TYR 3 HH TYR 3 -0.149 1.164 -7.955 26 H VAL 4 H VAL 4 1.834 -2.799 -4.386 27 HA VAL 4 HA VAL 4 1.618 -3.965 -7.013 28 HB VAL 4 HB VAL 4 3.904 -2.736 -7.279 29 HG11 VAL 4 1HG1 VAL 4 1.151 -1.841 -7.329 30 HG12 VAL 4 2HG1 VAL 4 2.270 -0.508 -7.031 31 HG13 VAL 4 3HG1 VAL 4 2.463 -1.520 -8.463 32 HG21 VAL 4 1HG2 VAL 4 4.632 -1.359 -5.647 33 HG22 VAL 4 2HG2 VAL 4 3.001 -0.940 -5.124 34 HG23 VAL 4 3HG2 VAL 4 3.732 -2.457 -4.601 35 H TYR 5 H TYR 5 3.730 -4.299 -4.207 36 HA TYR 5 HA TYR 5 5.695 -5.924 -5.362 37 HB2 TYR 5 2HB TYR 5 4.704 -5.611 -2.537 38 HB3 TYR 5 3HB TYR 5 5.986 -6.748 -2.939 39 HD1 TYR 5 HD1 TYR 5 5.056 -3.155 -3.102 40 HD2 TYR 5 HD2 TYR 5 8.205 -6.016 -3.169 41 HE1 TYR 5 HE1 TYR 5 6.704 -1.335 -2.958 42 HE2 TYR 5 HE2 TYR 5 9.862 -4.204 -3.024 43 HH TYR 5 HH TYR 5 9.232 -1.210 -2.049 44 H SER 6 H SER 6 2.475 -6.630 -4.281 45 HA SER 6 HA SER 6 2.916 -9.508 -4.374 46 HB2 SER 6 2HB SER 6 1.332 -8.059 -2.759 47 HB3 SER 6 3HB SER 6 0.175 -8.410 -4.042 48 HG SER 6 HG SER 6 1.622 -10.240 -2.440 49 H ARG 7 H ARG 7 1.606 -6.946 -6.306 50 HA ARG 7 HA ARG 7 0.127 -8.663 -8.077 51 HB2 ARG 7 2HB ARG 7 -0.850 -6.664 -8.372 52 HB3 ARG 7 3HB ARG 7 0.540 -5.801 -7.725 53 HG2 ARG 7 2HG ARG 7 0.204 -5.070 -9.960 54 HG3 ARG 7 3HG ARG 7 1.650 -6.082 -9.942 55 HD2 ARG 7 2HD ARG 7 0.756 -7.476 -11.423 56 HD3 ARG 7 3HD ARG 7 -0.672 -7.698 -10.413 57 HE ARG 7 HE ARG 7 -0.415 -5.973 -12.708 58 HH11 ARG 7 1HH1 ARG 7 -2.186 -6.647 -9.788 59 HH12 ARG 7 2HH1 ARG 7 -3.623 -5.838 -10.318 60 HH21 ARG 7 1HH2 ARG 7 -2.301 -4.904 -13.417 61 HH22 ARG 7 2HH2 ARG 7 -3.688 -4.847 -12.383 62 H VAL 8 H VAL 8 3.268 -7.052 -8.102 63 HA VAL 8 HA VAL 8 4.035 -7.492 -10.726 64 HB VAL 8 HB VAL 8 5.751 -7.548 -8.241 65 HG11 VAL 8 1HG1 VAL 8 6.429 -7.691 -11.140 66 HG12 VAL 8 2HG1 VAL 8 7.500 -6.808 -10.050 67 HG13 VAL 8 3HG1 VAL 8 7.167 -8.517 -9.768 68 HG21 VAL 8 1HG2 VAL 8 5.845 -5.296 -8.332 69 HG22 VAL 8 2HG2 VAL 8 5.810 -5.259 -10.095 70 HG23 VAL 8 3HG2 VAL 8 4.312 -5.469 -9.188 71 H LYS 9 H LYS 9 5.043 -9.524 -7.970 72 HA LYS 9 HA LYS 9 5.995 -11.641 -9.550 73 HB2 LYS 9 2HB LYS 9 5.127 -11.466 -6.672 74 HB3 LYS 9 3HB LYS 9 5.697 -12.975 -7.373 75 HG2 LYS 9 2HG LYS 9 7.760 -12.350 -6.880 76 HG3 LYS 9 3HG LYS 9 7.607 -11.061 -8.076 77 HD2 LYS 9 2HD LYS 9 7.258 -9.458 -6.502 78 HD3 LYS 9 3HD LYS 9 6.420 -10.561 -5.409 79 HE2 LYS 9 2HE LYS 9 9.350 -10.885 -5.910 80 HE3 LYS 9 3HE LYS 9 8.780 -9.653 -4.785 81 HZ1 LYS 9 1HZ LYS 9 9.237 -11.628 -3.565 82 HZ2 LYS 9 2HZ LYS 9 8.315 -12.578 -4.618 83 HZ3 LYS 9 3HZ LYS 9 7.556 -11.447 -3.615 Start of MODEL 15 1 H1 THR 1 H THR 1 1.387 0.431 0.484 2 HA THR 1 HA THR 1 2.193 0.620 -2.255 3 HB THR 1 HB THR 1 4.323 0.001 -0.343 4 HG1 THR 1 HG1 THR 1 4.000 2.141 0.679 5 HG21 THR 1 1HG2 THR 1 5.445 1.345 -1.728 6 HG22 THR 1 2HG2 THR 1 4.301 2.663 -1.471 7 HG23 THR 1 3HG2 THR 1 3.982 1.445 -2.705 8 H VAL 2 H VAL 2 1.349 -1.974 -0.365 9 HA VAL 2 HA VAL 2 3.280 -3.834 -1.509 10 HB VAL 2 HB VAL 2 0.941 -4.547 0.251 11 HG11 VAL 2 1HG1 VAL 2 3.617 -5.892 -0.083 12 HG12 VAL 2 2HG1 VAL 2 2.202 -6.508 0.773 13 HG13 VAL 2 3HG1 VAL 2 2.169 -6.342 -0.983 14 HG21 VAL 2 1HG2 VAL 2 2.220 -2.808 1.379 15 HG22 VAL 2 2HG2 VAL 2 2.460 -4.367 2.168 16 HG23 VAL 2 3HG2 VAL 2 3.711 -3.712 1.111 17 H TYR 3 H TYR 3 0.052 -2.728 -2.013 18 HA TYR 3 HA TYR 3 -1.245 -4.814 -3.203 19 HB2 TYR 3 2HB TYR 3 -2.072 -2.870 -4.840 20 HB3 TYR 3 3HB TYR 3 -2.590 -2.968 -3.161 21 HD1 TYR 3 HD1 TYR 3 0.145 -1.479 -5.227 22 HD2 TYR 3 HD2 TYR 3 -2.405 -1.078 -1.844 23 HE1 TYR 3 HE1 TYR 3 1.041 0.776 -4.826 24 HE2 TYR 3 HE2 TYR 3 -1.516 1.179 -1.435 25 HH TYR 3 HH TYR 3 0.749 2.399 -2.022 26 H VAL 4 H VAL 4 1.388 -2.912 -4.509 27 HA VAL 4 HA VAL 4 1.180 -4.139 -7.131 28 HB VAL 4 HB VAL 4 3.399 -2.858 -7.474 29 HG11 VAL 4 1HG1 VAL 4 1.288 -0.881 -6.912 30 HG12 VAL 4 2HG1 VAL 4 2.180 -1.202 -8.401 31 HG13 VAL 4 3HG1 VAL 4 0.820 -2.229 -7.947 32 HG21 VAL 4 1HG2 VAL 4 3.223 -2.508 -4.765 33 HG22 VAL 4 2HG2 VAL 4 4.215 -1.541 -5.855 34 HG23 VAL 4 3HG2 VAL 4 2.614 -0.973 -5.384 35 H TYR 5 H TYR 5 3.214 -4.334 -4.265 36 HA TYR 5 HA TYR 5 5.288 -5.895 -5.287 37 HB2 TYR 5 2HB TYR 5 4.116 -5.563 -2.544 38 HB3 TYR 5 3HB TYR 5 5.389 -6.746 -2.826 39 HD1 TYR 5 HD1 TYR 5 7.511 -6.039 -2.295 40 HD2 TYR 5 HD2 TYR 5 4.715 -3.178 -3.743 41 HE1 TYR 5 HE1 TYR 5 9.208 -4.274 -2.066 42 HE2 TYR 5 HE2 TYR 5 6.404 -1.405 -3.519 43 HH TYR 5 HH TYR 5 8.590 -0.977 -3.167 44 H SER 6 H SER 6 2.043 -6.740 -4.370 45 HA SER 6 HA SER 6 2.588 -9.592 -4.424 46 HB2 SER 6 2HB SER 6 0.817 -8.201 -2.976 47 HB3 SER 6 3HB SER 6 -0.206 -8.568 -4.365 48 HG SER 6 HG SER 6 1.297 -10.551 -3.018 49 H ARG 7 H ARG 7 1.352 -7.107 -6.506 50 HA ARG 7 HA ARG 7 0.123 -8.905 -8.383 51 HB2 ARG 7 2HB ARG 7 -0.903 -6.954 -8.803 52 HB3 ARG 7 3HB ARG 7 0.379 -6.026 -8.036 53 HG2 ARG 7 2HG ARG 7 0.236 -5.329 -10.301 54 HG3 ARG 7 3HG ARG 7 1.711 -6.282 -10.131 55 HD2 ARG 7 2HD ARG 7 1.013 -7.548 -11.819 56 HD3 ARG 7 3HD ARG 7 -0.298 -8.114 -10.785 57 HE ARG 7 HE ARG 7 -0.868 -5.618 -12.080 58 HH11 ARG 7 1HH1 ARG 7 -0.917 -9.083 -12.418 59 HH12 ARG 7 2HH1 ARG 7 -2.168 -9.079 -13.618 60 HH21 ARG 7 1HH2 ARG 7 -2.515 -5.600 -13.659 61 HH22 ARG 7 2HH2 ARG 7 -3.075 -7.097 -14.323 62 H VAL 8 H VAL 8 3.186 -7.172 -8.134 63 HA VAL 8 HA VAL 8 4.219 -7.591 -10.664 64 HB VAL 8 HB VAL 8 5.724 -7.638 -8.045 65 HG11 VAL 8 1HG1 VAL 8 6.587 -7.836 -10.845 66 HG12 VAL 8 2HG1 VAL 8 7.449 -6.634 -9.882 67 HG13 VAL 8 3HG1 VAL 8 7.412 -8.320 -9.364 68 HG21 VAL 8 1HG2 VAL 8 6.087 -5.227 -9.475 69 HG22 VAL 8 2HG2 VAL 8 4.354 -5.548 -9.420 70 HG23 VAL 8 3HG2 VAL 8 5.284 -5.464 -7.923 71 H LYS 9 H LYS 9 5.027 -9.592 -7.821 72 HA LYS 9 HA LYS 9 6.099 -11.699 -9.395 73 HB2 LYS 9 2HB LYS 9 5.372 -11.399 -6.498 74 HB3 LYS 9 3HB LYS 9 5.837 -12.970 -7.137 75 HG2 LYS 9 2HG LYS 9 7.937 -12.392 -6.728 76 HG3 LYS 9 3HG LYS 9 7.801 -11.253 -8.070 77 HD2 LYS 9 2HD LYS 9 7.363 -9.452 -6.654 78 HD3 LYS 9 3HD LYS 9 6.896 -10.500 -5.312 79 HE2 LYS 9 2HE LYS 9 9.052 -10.889 -4.689 80 HE3 LYS 9 3HE LYS 9 9.669 -10.745 -6.335 81 HZ1 LYS 9 1HZ LYS 9 9.063 -8.612 -4.395 82 HZ2 LYS 9 2HZ LYS 9 9.062 -8.277 -6.053 83 HZ3 LYS 9 3HZ LYS 9 10.467 -8.855 -5.308 Start of MODEL 16 1 H1 THR 1 H THR 1 1.465 0.418 0.531 2 HA THR 1 HA THR 1 2.149 0.593 -2.226 3 HB THR 1 HB THR 1 4.421 0.053 -0.498 4 HG1 THR 1 HG1 THR 1 4.008 1.386 1.115 5 HG21 THR 1 1HG2 THR 1 3.526 2.517 -2.000 6 HG22 THR 1 2HG2 THR 1 4.550 1.232 -2.640 7 HG23 THR 1 3HG2 THR 1 5.132 2.248 -1.322 8 H VAL 2 H VAL 2 1.492 -2.042 -0.319 9 HA VAL 2 HA VAL 2 3.441 -3.819 -1.560 10 HB VAL 2 HB VAL 2 1.214 -4.632 0.298 11 HG11 VAL 2 1HG1 VAL 2 3.922 -5.869 -0.164 12 HG12 VAL 2 2HG1 VAL 2 2.572 -6.545 0.750 13 HG13 VAL 2 3HG1 VAL 2 2.454 -6.372 -1.002 14 HG21 VAL 2 1HG2 VAL 2 2.473 -2.850 1.380 15 HG22 VAL 2 2HG2 VAL 2 2.809 -4.402 2.146 16 HG23 VAL 2 3HG2 VAL 2 3.984 -3.693 1.038 17 H TYR 3 H TYR 3 0.152 -2.838 -1.911 18 HA TYR 3 HA TYR 3 -1.115 -4.967 -3.055 19 HB2 TYR 3 2HB TYR 3 -2.090 -3.050 -4.641 20 HB3 TYR 3 3HB TYR 3 -2.527 -3.175 -2.941 21 HD1 TYR 3 HD1 TYR 3 0.052 -1.571 -5.120 22 HD2 TYR 3 HD2 TYR 3 -2.354 -1.285 -1.622 23 HE1 TYR 3 HE1 TYR 3 0.878 0.715 -4.746 24 HE2 TYR 3 HE2 TYR 3 -1.536 1.003 -1.240 25 HH TYR 3 HH TYR 3 -0.564 2.881 -2.712 26 H VAL 4 H VAL 4 1.380 -2.958 -4.467 27 HA VAL 4 HA VAL 4 1.102 -4.180 -7.084 28 HB VAL 4 HB VAL 4 3.252 -2.812 -7.518 29 HG11 VAL 4 1HG1 VAL 4 1.932 -1.196 -8.375 30 HG12 VAL 4 2HG1 VAL 4 0.634 -2.282 -7.876 31 HG13 VAL 4 3HG1 VAL 4 1.092 -0.923 -6.849 32 HG21 VAL 4 1HG2 VAL 4 3.185 -2.482 -4.801 33 HG22 VAL 4 2HG2 VAL 4 4.089 -1.472 -5.930 34 HG23 VAL 4 3HG2 VAL 4 2.490 -0.969 -5.383 35 H TYR 5 H TYR 5 3.270 -4.309 -4.314 36 HA TYR 5 HA TYR 5 5.355 -5.783 -5.438 37 HB2 TYR 5 2HB TYR 5 4.296 -5.509 -2.643 38 HB3 TYR 5 3HB TYR 5 5.599 -6.640 -2.989 39 HD1 TYR 5 HD1 TYR 5 4.746 -3.097 -3.851 40 HD2 TYR 5 HD2 TYR 5 7.715 -5.855 -2.554 41 HE1 TYR 5 HE1 TYR 5 6.374 -1.260 -3.691 42 HE2 TYR 5 HE2 TYR 5 9.350 -4.026 -2.389 43 HH TYR 5 HH TYR 5 9.079 -1.183 -3.820 44 H SER 6 H SER 6 2.189 -6.757 -4.383 45 HA SER 6 HA SER 6 2.841 -9.586 -4.478 46 HB2 SER 6 2HB SER 6 1.293 -9.177 -2.785 47 HB3 SER 6 3HB SER 6 0.400 -8.000 -3.748 48 HG SER 6 HG SER 6 -0.857 -9.584 -4.278 49 H ARG 7 H ARG 7 1.417 -7.142 -6.488 50 HA ARG 7 HA ARG 7 0.175 -8.978 -8.318 51 HB2 ARG 7 2HB ARG 7 -0.943 -7.066 -8.679 52 HB3 ARG 7 3HB ARG 7 0.336 -6.092 -7.965 53 HG2 ARG 7 2HG ARG 7 0.063 -5.391 -10.217 54 HG3 ARG 7 3HG ARG 7 1.581 -6.287 -10.120 55 HD2 ARG 7 2HD ARG 7 0.856 -7.569 -11.783 56 HD3 ARG 7 3HD ARG 7 -0.382 -8.194 -10.694 57 HE ARG 7 HE ARG 7 -1.453 -5.883 -11.640 58 HH11 ARG 7 1HH1 ARG 7 -0.106 -8.725 -13.133 59 HH12 ARG 7 2HH1 ARG 7 -1.108 -8.619 -14.542 60 HH21 ARG 7 1HH2 ARG 7 -2.777 -5.732 -13.491 61 HH22 ARG 7 2HH2 ARG 7 -2.626 -6.915 -14.746 62 H VAL 8 H VAL 8 3.177 -7.126 -8.196 63 HA VAL 8 HA VAL 8 4.111 -7.494 -10.773 64 HB VAL 8 HB VAL 8 5.733 -7.494 -8.224 65 HG11 VAL 8 1HG1 VAL 8 6.476 -7.668 -11.054 66 HG12 VAL 8 2HG1 VAL 8 7.320 -6.408 -10.150 67 HG13 VAL 8 3HG1 VAL 8 7.397 -8.086 -9.609 68 HG21 VAL 8 1HG2 VAL 8 5.353 -5.309 -8.088 69 HG22 VAL 8 2HG2 VAL 8 5.850 -5.074 -9.764 70 HG23 VAL 8 3HG2 VAL 8 4.173 -5.473 -9.389 71 H LYS 9 H LYS 9 5.123 -9.474 -7.982 72 HA LYS 9 HA LYS 9 6.347 -11.491 -9.466 73 HB2 LYS 9 2HB LYS 9 5.173 -11.393 -6.705 74 HB3 LYS 9 3HB LYS 9 5.807 -12.902 -7.348 75 HG2 LYS 9 2HG LYS 9 7.878 -12.296 -6.861 76 HG3 LYS 9 3HG LYS 9 7.702 -10.799 -7.780 77 HD2 LYS 9 2HD LYS 9 6.975 -9.599 -5.914 78 HD3 LYS 9 3HD LYS 9 6.556 -11.063 -5.021 79 HE2 LYS 9 2HE LYS 9 8.671 -11.382 -4.296 80 HE3 LYS 9 3HE LYS 9 9.386 -10.804 -5.801 81 HZ1 LYS 9 1HZ LYS 9 8.182 -8.614 -4.616 82 HZ2 LYS 9 2HZ LYS 9 9.839 -8.921 -4.756 83 HZ3 LYS 9 3HZ LYS 9 9.002 -9.413 -3.370 Start of MODEL 17 1 H1 THR 1 H THR 1 0.839 0.094 0.659 2 HA THR 1 HA THR 1 1.828 0.780 -1.953 3 HB THR 1 HB THR 1 2.603 1.682 0.381 4 HG1 THR 1 HG1 THR 1 4.839 1.811 -0.672 5 HG21 THR 1 1HG2 THR 1 3.218 -0.682 1.116 6 HG22 THR 1 2HG2 THR 1 4.424 0.575 1.394 7 HG23 THR 1 3HG2 THR 1 4.606 -0.538 0.038 8 H VAL 2 H VAL 2 1.792 -2.043 0.077 9 HA VAL 2 HA VAL 2 3.836 -3.428 -1.423 10 HB VAL 2 HB VAL 2 1.911 -4.683 0.525 11 HG11 VAL 2 1HG1 VAL 2 3.627 -6.319 0.835 12 HG12 VAL 2 2HG1 VAL 2 3.367 -6.131 -0.901 13 HG13 VAL 2 3HG1 VAL 2 4.768 -5.383 -0.131 14 HG21 VAL 2 1HG2 VAL 2 4.500 -3.264 1.147 15 HG22 VAL 2 2HG2 VAL 2 2.883 -2.729 1.606 16 HG23 VAL 2 3HG2 VAL 2 3.548 -4.212 2.290 17 H TYR 3 H TYR 3 0.417 -3.026 -1.563 18 HA TYR 3 HA TYR 3 -0.542 -5.313 -2.697 19 HB2 TYR 3 2HB TYR 3 -2.259 -3.996 -3.725 20 HB3 TYR 3 3HB TYR 3 -1.844 -3.220 -2.200 21 HD1 TYR 3 HD1 TYR 3 -2.490 -2.650 -5.581 22 HD2 TYR 3 HD2 TYR 3 0.070 -1.371 -2.433 23 HE1 TYR 3 HE1 TYR 3 -2.087 -0.537 -6.775 24 HE2 TYR 3 HE2 TYR 3 0.479 0.745 -3.617 25 HH TYR 3 HH TYR 3 0.057 1.261 -6.659 26 H VAL 4 H VAL 4 1.359 -2.793 -4.268 27 HA VAL 4 HA VAL 4 1.155 -3.936 -6.886 28 HB VAL 4 HB VAL 4 3.177 -2.375 -7.310 29 HG11 VAL 4 1HG1 VAL 4 1.276 -0.426 -6.679 30 HG12 VAL 4 2HG1 VAL 4 1.487 -1.256 -8.222 31 HG13 VAL 4 3HG1 VAL 4 0.355 -1.888 -7.027 32 HG21 VAL 4 1HG2 VAL 4 3.196 -2.240 -4.570 33 HG22 VAL 4 2HG2 VAL 4 3.988 -1.100 -5.658 34 HG23 VAL 4 3HG2 VAL 4 2.381 -0.744 -5.025 35 H TYR 5 H TYR 5 3.532 -4.033 -4.277 36 HA TYR 5 HA TYR 5 5.600 -5.321 -5.652 37 HB2 TYR 5 2HB TYR 5 4.821 -5.232 -2.746 38 HB3 TYR 5 3HB TYR 5 6.208 -6.167 -3.292 39 HD1 TYR 5 HD1 TYR 5 4.779 -2.725 -3.460 40 HD2 TYR 5 HD2 TYR 5 8.284 -5.138 -3.456 41 HE1 TYR 5 HE1 TYR 5 6.168 -0.697 -3.380 42 HE2 TYR 5 HE2 TYR 5 9.682 -3.117 -3.374 43 HH TYR 5 HH TYR 5 9.677 -0.863 -3.628 44 H SER 6 H SER 6 2.627 -6.527 -4.323 45 HA SER 6 HA SER 6 3.467 -9.304 -4.583 46 HB2 SER 6 2HB SER 6 2.116 -8.707 -2.637 47 HB3 SER 6 3HB SER 6 0.836 -8.101 -3.687 48 HG SER 6 HG SER 6 1.072 -10.523 -2.785 49 H ARG 7 H ARG 7 1.613 -6.909 -6.274 50 HA ARG 7 HA ARG 7 0.234 -8.759 -7.981 51 HB2 ARG 7 2HB ARG 7 -1.010 -6.889 -8.092 52 HB3 ARG 7 3HB ARG 7 0.329 -5.867 -7.588 53 HG2 ARG 7 2HG ARG 7 -0.378 -5.185 -9.765 54 HG3 ARG 7 3HG ARG 7 1.202 -5.957 -9.908 55 HD2 ARG 7 2HD ARG 7 -0.365 -8.095 -10.287 56 HD3 ARG 7 3HD ARG 7 -1.445 -6.838 -10.892 57 HE ARG 7 HE ARG 7 1.101 -6.482 -12.022 58 HH11 ARG 7 1HH1 ARG 7 -1.601 -8.675 -12.134 59 HH12 ARG 7 2HH1 ARG 7 -1.304 -9.164 -13.769 60 HH21 ARG 7 1HH2 ARG 7 1.502 -7.118 -14.175 61 HH22 ARG 7 2HH2 ARG 7 0.462 -8.279 -14.929 62 H VAL 8 H VAL 8 3.073 -6.662 -8.287 63 HA VAL 8 HA VAL 8 3.660 -6.983 -10.960 64 HB VAL 8 HB VAL 8 5.615 -6.842 -8.662 65 HG11 VAL 8 1HG1 VAL 8 6.975 -7.525 -10.384 66 HG12 VAL 8 2HG1 VAL 8 5.973 -6.763 -11.621 67 HG13 VAL 8 3HG1 VAL 8 7.019 -5.775 -10.600 68 HG21 VAL 8 1HG2 VAL 8 5.167 -4.495 -10.361 69 HG22 VAL 8 2HG2 VAL 8 3.774 -4.976 -9.392 70 HG23 VAL 8 3HG2 VAL 8 5.312 -4.616 -8.607 71 H LYS 9 H LYS 9 5.204 -8.880 -8.362 72 HA LYS 9 HA LYS 9 6.195 -10.850 -10.150 73 HB2 LYS 9 2HB LYS 9 7.000 -11.983 -8.225 74 HB3 LYS 9 3HB LYS 9 7.140 -10.264 -7.877 75 HG2 LYS 9 2HG LYS 9 4.682 -10.778 -6.877 76 HG3 LYS 9 3HG LYS 9 5.486 -12.325 -6.600 77 HD2 LYS 9 2HD LYS 9 7.035 -9.914 -5.892 78 HD3 LYS 9 3HD LYS 9 5.617 -10.243 -4.894 79 HE2 LYS 9 2HE LYS 9 7.211 -12.621 -5.419 80 HE3 LYS 9 3HE LYS 9 8.122 -11.359 -4.591 81 HZ1 LYS 9 1HZ LYS 9 6.918 -11.595 -2.728 82 HZ2 LYS 9 2HZ LYS 9 6.563 -13.128 -3.347 83 HZ3 LYS 9 3HZ LYS 9 5.464 -11.859 -3.550 Start of MODEL 18 1 H1 THR 1 H THR 1 1.092 0.129 0.219 2 HA THR 1 HA THR 1 1.928 0.606 -2.512 3 HB THR 1 HB THR 1 3.939 -0.016 -0.414 4 HG1 THR 1 HG1 THR 1 3.498 1.718 0.780 5 HG21 THR 1 1HG2 THR 1 4.754 2.260 -1.497 6 HG22 THR 1 2HG2 THR 1 3.650 1.765 -2.781 7 HG23 THR 1 3HG2 THR 1 4.988 0.715 -2.314 8 H VAL 2 H VAL 2 1.129 -2.092 -0.757 9 HA VAL 2 HA VAL 2 3.131 -3.835 -1.974 10 HB VAL 2 HB VAL 2 0.850 -4.709 -0.213 11 HG11 VAL 2 1HG1 VAL 2 2.220 -6.621 0.237 12 HG12 VAL 2 2HG1 VAL 2 2.136 -6.407 -1.513 13 HG13 VAL 2 3HG1 VAL 2 3.581 -5.913 -0.631 14 HG21 VAL 2 1HG2 VAL 2 2.384 -4.529 1.693 15 HG22 VAL 2 2HG2 VAL 2 3.586 -3.770 0.649 16 HG23 VAL 2 3HG2 VAL 2 2.055 -2.955 0.969 17 H TYR 3 H TYR 3 -0.122 -2.805 -2.417 18 HA TYR 3 HA TYR 3 -1.409 -4.871 -3.631 19 HB2 TYR 3 2HB TYR 3 -2.272 -2.956 -5.248 20 HB3 TYR 3 3HB TYR 3 -2.725 -2.990 -3.548 21 HD1 TYR 3 HD1 TYR 3 -0.104 -1.581 -5.805 22 HD2 TYR 3 HD2 TYR 3 -2.420 -1.082 -2.271 23 HE1 TYR 3 HE1 TYR 3 0.830 0.676 -5.518 24 HE2 TYR 3 HE2 TYR 3 -1.493 1.176 -1.975 25 HH TYR 3 HH TYR 3 0.458 2.698 -4.424 26 H VAL 4 H VAL 4 1.215 -2.955 -4.943 27 HA VAL 4 HA VAL 4 1.023 -4.260 -7.539 28 HB VAL 4 HB VAL 4 3.148 -2.852 -7.966 29 HG11 VAL 4 1HG1 VAL 4 0.547 -2.418 -8.457 30 HG12 VAL 4 2HG1 VAL 4 0.893 -1.017 -7.442 31 HG13 VAL 4 3HG1 VAL 4 1.820 -1.288 -8.918 32 HG21 VAL 4 1HG2 VAL 4 3.010 -2.412 -5.279 33 HG22 VAL 4 2HG2 VAL 4 3.885 -1.396 -6.425 34 HG23 VAL 4 3HG2 VAL 4 2.253 -0.955 -5.922 35 H TYR 5 H TYR 5 3.078 -4.226 -4.687 36 HA TYR 5 HA TYR 5 5.250 -5.675 -5.673 37 HB2 TYR 5 2HB TYR 5 4.075 -5.304 -2.940 38 HB3 TYR 5 3HB TYR 5 5.396 -6.442 -3.176 39 HD1 TYR 5 HD1 TYR 5 4.582 -2.956 -4.278 40 HD2 TYR 5 HD2 TYR 5 7.474 -5.617 -2.645 41 HE1 TYR 5 HE1 TYR 5 6.194 -1.105 -4.132 42 HE2 TYR 5 HE2 TYR 5 9.094 -3.772 -2.494 43 HH TYR 5 HH TYR 5 8.405 -0.606 -3.846 44 H SER 6 H SER 6 2.047 -6.675 -4.941 45 HA SER 6 HA SER 6 2.720 -9.480 -4.675 46 HB2 SER 6 2HB SER 6 0.871 -8.790 -3.350 47 HB3 SER 6 3HB SER 6 0.108 -7.967 -4.710 48 HG SER 6 HG SER 6 0.543 -10.768 -4.574 49 H ARG 7 H ARG 7 1.764 -7.269 -7.156 50 HA ARG 7 HA ARG 7 0.811 -9.234 -9.005 51 HB2 ARG 7 2HB ARG 7 1.859 -6.546 -9.827 52 HB3 ARG 7 3HB ARG 7 0.539 -7.478 -10.521 53 HG2 ARG 7 2HG ARG 7 -0.854 -7.002 -8.606 54 HG3 ARG 7 3HG ARG 7 0.479 -6.156 -7.817 55 HD2 ARG 7 2HD ARG 7 -0.635 -4.375 -8.713 56 HD3 ARG 7 3HD ARG 7 0.453 -4.752 -10.048 57 HE ARG 7 HE ARG 7 -1.360 -5.355 -11.307 58 HH11 ARG 7 1HH1 ARG 7 -2.296 -5.214 -7.957 59 HH12 ARG 7 2HH1 ARG 7 -3.984 -5.428 -8.285 60 HH21 ARG 7 1HH2 ARG 7 -3.579 -5.637 -11.751 61 HH22 ARG 7 2HH2 ARG 7 -4.713 -5.670 -10.443 62 H VAL 8 H VAL 8 3.798 -7.296 -8.825 63 HA VAL 8 HA VAL 8 5.162 -8.253 -10.989 64 HB VAL 8 HB VAL 8 6.425 -7.782 -8.287 65 HG11 VAL 8 1HG1 VAL 8 7.454 -8.062 -11.058 66 HG12 VAL 8 2HG1 VAL 8 8.237 -6.888 -9.999 67 HG13 VAL 8 3HG1 VAL 8 8.160 -8.587 -9.530 68 HG21 VAL 8 1HG2 VAL 8 5.212 -5.939 -10.241 69 HG22 VAL 8 2HG2 VAL 8 5.457 -5.753 -8.505 70 HG23 VAL 8 3HG2 VAL 8 6.794 -5.469 -9.619 71 H LYS 9 H LYS 9 5.607 -9.581 -7.706 72 HA LYS 9 HA LYS 9 6.974 -11.888 -8.571 73 HB2 LYS 9 2HB LYS 9 5.418 -11.474 -6.011 74 HB3 LYS 9 3HB LYS 9 6.620 -12.725 -6.296 75 HG2 LYS 9 2HG LYS 9 7.355 -9.844 -6.591 76 HG3 LYS 9 3HG LYS 9 7.278 -10.590 -4.993 77 HD2 LYS 9 2HD LYS 9 8.700 -12.371 -6.651 78 HD3 LYS 9 3HD LYS 9 9.344 -10.758 -6.969 79 HE2 LYS 9 2HE LYS 9 10.641 -11.333 -5.185 80 HE3 LYS 9 3HE LYS 9 9.280 -10.610 -4.329 81 HZ1 LYS 9 1HZ LYS 9 8.735 -13.328 -4.786 82 HZ2 LYS 9 2HZ LYS 9 8.929 -12.527 -3.310 83 HZ3 LYS 9 3HZ LYS 9 10.271 -13.202 -4.088 Start of MODEL 19 1 H1 THR 1 H THR 1 1.262 0.334 0.168 2 HA THR 1 HA THR 1 2.041 0.478 -2.548 3 HB THR 1 HB THR 1 4.262 -0.123 -0.785 4 HG1 THR 1 HG1 THR 1 3.891 1.820 0.521 5 HG21 THR 1 1HG2 THR 1 4.837 1.130 -2.627 6 HG22 THR 1 2HG2 THR 1 4.656 2.403 -1.419 7 HG23 THR 1 3HG2 THR 1 3.358 2.089 -2.570 8 H VAL 2 H VAL 2 1.274 -2.170 -0.706 9 HA VAL 2 HA VAL 2 3.220 -3.961 -1.945 10 HB VAL 2 HB VAL 2 0.988 -4.772 -0.093 11 HG11 VAL 2 1HG1 VAL 2 2.217 -6.511 -1.393 12 HG12 VAL 2 2HG1 VAL 2 3.694 -6.012 -0.567 13 HG13 VAL 2 3HG1 VAL 2 2.351 -6.687 0.356 14 HG21 VAL 2 1HG2 VAL 2 2.583 -4.563 1.759 15 HG22 VAL 2 2HG2 VAL 2 3.758 -3.840 0.661 16 HG23 VAL 2 3HG2 VAL 2 2.246 -3.003 1.009 17 H TYR 3 H TYR 3 -0.036 -2.910 -2.309 18 HA TYR 3 HA TYR 3 -1.380 -4.989 -3.434 19 HB2 TYR 3 2HB TYR 3 -2.276 -3.104 -5.067 20 HB3 TYR 3 3HB TYR 3 -2.675 -3.095 -3.353 21 HD1 TYR 3 HD1 TYR 3 -0.114 -1.763 -5.723 22 HD2 TYR 3 HD2 TYR 3 -2.313 -1.161 -2.131 23 HE1 TYR 3 HE1 TYR 3 0.850 0.490 -5.518 24 HE2 TYR 3 HE2 TYR 3 -1.356 1.095 -1.916 25 HH TYR 3 HH TYR 3 -0.346 2.808 -3.329 26 H VAL 4 H VAL 4 1.219 -3.130 -4.872 27 HA VAL 4 HA VAL 4 0.933 -4.493 -7.430 28 HB VAL 4 HB VAL 4 3.056 -3.116 -7.956 29 HG11 VAL 4 1HG1 VAL 4 0.445 -2.667 -8.374 30 HG12 VAL 4 2HG1 VAL 4 0.837 -1.247 -7.403 31 HG13 VAL 4 3HG1 VAL 4 1.712 -1.561 -8.902 32 HG21 VAL 4 1HG2 VAL 4 2.243 -1.164 -5.930 33 HG22 VAL 4 2HG2 VAL 4 3.008 -2.613 -5.275 34 HG23 VAL 4 3HG2 VAL 4 3.855 -1.634 -6.472 35 H TYR 5 H TYR 5 3.077 -4.414 -4.645 36 HA TYR 5 HA TYR 5 5.204 -5.906 -5.665 37 HB2 TYR 5 2HB TYR 5 4.119 -5.461 -2.906 38 HB3 TYR 5 3HB TYR 5 5.422 -6.618 -3.157 39 HD1 TYR 5 HD1 TYR 5 7.522 -5.800 -2.708 40 HD2 TYR 5 HD2 TYR 5 4.606 -3.150 -4.312 41 HE1 TYR 5 HE1 TYR 5 9.163 -3.969 -2.651 42 HE2 TYR 5 HE2 TYR 5 6.239 -1.312 -4.261 43 HH TYR 5 HH TYR 5 9.433 -1.731 -2.825 44 H SER 6 H SER 6 2.016 -6.858 -4.809 45 HA SER 6 HA SER 6 2.672 -9.662 -4.500 46 HB2 SER 6 2HB SER 6 0.618 -8.105 -3.559 47 HB3 SER 6 3HB SER 6 -0.156 -8.962 -4.891 48 HG SER 6 HG SER 6 -0.213 -10.059 -2.816 49 H ARG 7 H ARG 7 1.658 -7.499 -7.001 50 HA ARG 7 HA ARG 7 0.629 -9.497 -8.772 51 HB2 ARG 7 2HB ARG 7 1.675 -6.838 -9.689 52 HB3 ARG 7 3HB ARG 7 0.325 -7.773 -10.319 53 HG2 ARG 7 2HG ARG 7 -1.002 -7.239 -8.373 54 HG3 ARG 7 3HG ARG 7 0.363 -6.389 -7.646 55 HD2 ARG 7 2HD ARG 7 -0.766 -4.619 -8.548 56 HD3 ARG 7 3HD ARG 7 0.280 -5.034 -9.905 57 HE ARG 7 HE ARG 7 -2.207 -6.416 -10.028 58 HH11 ARG 7 1HH1 ARG 7 -0.686 -3.344 -10.635 59 HH12 ARG 7 2HH1 ARG 7 -1.823 -2.874 -11.854 60 HH21 ARG 7 1HH2 ARG 7 -3.711 -5.809 -11.632 61 HH22 ARG 7 2HH2 ARG 7 -3.544 -4.276 -12.420 62 H VAL 8 H VAL 8 3.638 -7.584 -8.731 63 HA VAL 8 HA VAL 8 4.923 -8.604 -10.915 64 HB VAL 8 HB VAL 8 6.276 -8.084 -8.265 65 HG11 VAL 8 1HG1 VAL 8 8.059 -7.260 -10.014 66 HG12 VAL 8 2HG1 VAL 8 7.942 -8.964 -9.572 67 HG13 VAL 8 3HG1 VAL 8 7.217 -8.390 -11.074 68 HG21 VAL 8 1HG2 VAL 8 4.937 -6.288 -10.141 69 HG22 VAL 8 2HG2 VAL 8 5.426 -6.021 -8.468 70 HG23 VAL 8 3HG2 VAL 8 6.597 -5.822 -9.771 71 H LYS 9 H LYS 9 5.461 -9.861 -7.617 72 HA LYS 9 HA LYS 9 6.790 -12.193 -8.456 73 HB2 LYS 9 2HB LYS 9 5.486 -11.320 -5.907 74 HB3 LYS 9 3HB LYS 9 6.009 -12.990 -6.078 75 HG2 LYS 9 2HG LYS 9 8.032 -12.358 -5.447 76 HG3 LYS 9 3HG LYS 9 8.166 -11.434 -6.945 77 HD2 LYS 9 2HD LYS 9 7.575 -9.445 -5.923 78 HD3 LYS 9 3HD LYS 9 6.738 -10.256 -4.597 79 HE2 LYS 9 2HE LYS 9 8.783 -9.290 -3.770 80 HE3 LYS 9 3HE LYS 9 8.927 -11.047 -3.757 81 HZ1 LYS 9 1HZ LYS 9 10.869 -9.671 -4.659 82 HZ2 LYS 9 2HZ LYS 9 9.919 -9.468 -6.043 83 HZ3 LYS 9 3HZ LYS 9 10.373 -11.021 -5.550 Start of MODEL 20 1 H1 THR 1 H THR 1 1.921 -0.402 0.844 2 HA THR 1 HA THR 1 1.547 0.378 -1.963 3 HB THR 1 HB THR 1 4.292 0.014 -0.919 4 HG1 THR 1 HG1 THR 1 4.199 1.585 0.525 5 HG21 THR 1 1HG2 THR 1 2.831 1.934 -2.702 6 HG22 THR 1 2HG2 THR 1 4.189 0.876 -3.085 7 HG23 THR 1 3HG2 THR 1 4.441 2.311 -2.092 8 H VAL 2 H VAL 2 1.528 -2.359 -0.247 9 HA VAL 2 HA VAL 2 3.358 -3.984 -1.746 10 HB VAL 2 HB VAL 2 1.036 -5.019 -0.135 11 HG11 VAL 2 1HG1 VAL 2 3.794 -6.164 -0.519 12 HG12 VAL 2 2HG1 VAL 2 2.374 -6.962 0.160 13 HG13 VAL 2 3HG1 VAL 2 2.424 -6.558 -1.556 14 HG21 VAL 2 1HG2 VAL 2 2.125 -3.407 1.280 15 HG22 VAL 2 2HG2 VAL 2 2.573 -5.026 1.816 16 HG23 VAL 2 3HG2 VAL 2 3.711 -4.062 0.875 17 H TYR 3 H TYR 3 0.118 -2.900 -2.159 18 HA TYR 3 HA TYR 3 -1.153 -4.834 -3.584 19 HB2 TYR 3 2HB TYR 3 -2.412 -3.110 -4.677 20 HB3 TYR 3 3HB TYR 3 -2.037 -2.544 -3.053 21 HD1 TYR 3 HD1 TYR 3 -2.151 -1.606 -6.402 22 HD2 TYR 3 HD2 TYR 3 0.268 -1.174 -2.928 23 HE1 TYR 3 HE1 TYR 3 -1.166 0.439 -7.350 24 HE2 TYR 3 HE2 TYR 3 1.258 0.873 -3.866 25 HH TYR 3 HH TYR 3 0.390 2.681 -5.666 26 H VAL 4 H VAL 4 1.428 -2.726 -4.726 27 HA VAL 4 HA VAL 4 1.298 -3.739 -7.426 28 HB VAL 4 HB VAL 4 3.535 -2.452 -7.602 29 HG11 VAL 4 1HG1 VAL 4 1.915 -0.255 -7.159 30 HG12 VAL 4 2HG1 VAL 4 2.053 -1.167 -8.663 31 HG13 VAL 4 3HG1 VAL 4 0.777 -1.555 -7.509 32 HG21 VAL 4 1HG2 VAL 4 3.781 -2.405 -5.077 33 HG22 VAL 4 2HG2 VAL 4 4.052 -0.879 -5.920 34 HG23 VAL 4 3HG2 VAL 4 2.529 -1.163 -5.078 35 H TYR 5 H TYR 5 3.316 -4.207 -4.574 36 HA TYR 5 HA TYR 5 5.399 -5.665 -5.679 37 HB2 TYR 5 2HB TYR 5 4.122 -5.610 -2.973 38 HB3 TYR 5 3HB TYR 5 5.336 -6.836 -3.324 39 HD1 TYR 5 HD1 TYR 5 4.806 -3.146 -3.517 40 HD2 TYR 5 HD2 TYR 5 7.577 -6.333 -2.998 41 HE1 TYR 5 HE1 TYR 5 6.582 -1.515 -3.029 42 HE2 TYR 5 HE2 TYR 5 9.360 -4.711 -2.508 43 HH TYR 5 HH TYR 5 8.742 -1.440 -1.858 44 H SER 6 H SER 6 2.116 -6.601 -5.049 45 HA SER 6 HA SER 6 2.593 -9.429 -5.257 46 HB2 SER 6 2HB SER 6 0.539 -7.907 -4.248 47 HB3 SER 6 3HB SER 6 -0.149 -8.503 -5.758 48 HG SER 6 HG SER 6 0.471 -9.855 -3.447 49 H ARG 7 H ARG 7 1.829 -6.824 -7.426 50 HA ARG 7 HA ARG 7 1.028 -8.553 -9.594 51 HB2 ARG 7 2HB ARG 7 1.824 -5.728 -10.084 52 HB3 ARG 7 3HB ARG 7 0.474 -6.644 -10.739 53 HG2 ARG 7 2HG ARG 7 0.681 -5.450 -7.984 54 HG3 ARG 7 3HG ARG 7 -0.360 -4.912 -9.304 55 HD2 ARG 7 2HD ARG 7 -0.532 -7.697 -8.199 56 HD3 ARG 7 3HD ARG 7 -1.398 -6.355 -7.452 57 HE ARG 7 HE ARG 7 -1.971 -6.352 -10.187 58 HH11 ARG 7 1HH1 ARG 7 -2.532 -8.315 -7.368 59 HH12 ARG 7 2HH1 ARG 7 -4.029 -8.962 -7.955 60 HH21 ARG 7 1HH2 ARG 7 -3.939 -7.196 -10.972 61 HH22 ARG 7 2HH2 ARG 7 -4.828 -8.325 -10.006 62 H VAL 8 H VAL 8 3.928 -6.903 -8.533 63 HA VAL 8 HA VAL 8 5.470 -7.001 -10.837 64 HB VAL 8 HB VAL 8 6.484 -7.465 -8.030 65 HG11 VAL 8 1HG1 VAL 8 7.760 -6.901 -10.639 66 HG12 VAL 8 2HG1 VAL 8 8.408 -6.053 -9.233 67 HG13 VAL 8 3HG1 VAL 8 8.359 -7.817 -9.256 68 HG21 VAL 8 1HG2 VAL 8 5.513 -5.463 -7.656 69 HG22 VAL 8 2HG2 VAL 8 6.937 -4.849 -8.496 70 HG23 VAL 8 3HG2 VAL 8 5.423 -5.065 -9.372 71 H LYS 9 H LYS 9 5.689 -9.344 -8.153 72 HA LYS 9 HA LYS 9 7.059 -11.262 -9.764 73 HB2 LYS 9 2HB LYS 9 5.816 -11.401 -7.019 74 HB3 LYS 9 3HB LYS 9 6.627 -12.772 -7.764 75 HG2 LYS 9 2HG LYS 9 8.547 -12.023 -6.968 76 HG3 LYS 9 3HG LYS 9 8.387 -10.592 -7.990 77 HD2 LYS 9 2HD LYS 9 8.577 -9.626 -5.911 78 HD3 LYS 9 3HD LYS 9 6.823 -9.764 -6.055 79 HE2 LYS 9 2HE LYS 9 7.356 -12.146 -4.958 80 HE3 LYS 9 3HE LYS 9 8.716 -11.229 -4.311 81 HZ1 LYS 9 1HZ LYS 9 6.763 -11.199 -2.849 82 HZ2 LYS 9 2HZ LYS 9 5.866 -10.431 -4.060 83 HZ3 LYS 9 3HZ LYS 9 7.194 -9.646 -3.365
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