NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
589681 | 2n0x | 25539 | 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 1.947 0.956 -1.721 3 HB2 LEU 1 HB2 LEU 1 3.717 -1.177 -0.539 4 HB3 LEU 1 HB3 LEU 1 4.117 -0.109 -1.883 5 HG LEU 1 HG LEU 1 3.486 1.036 0.809 6 HD11 LEU 1 1HD1 LEU 1 6.275 0.281 0.017 7 HD12 LEU 1 2HD1 LEU 1 5.250 -0.824 0.932 8 HD13 LEU 1 3HD1 LEU 1 5.658 0.757 1.600 9 HD21 LEU 1 3HD2 LEU 1 5.607 2.312 -0.559 10 HD22 LEU 1 1HD2 LEU 1 3.979 2.918 -0.254 11 HD23 LEU 1 2HD2 LEU 1 4.321 2.017 -1.731 12 H VAL 2 H VAL 2 1.626 0.169 -3.726 13 HA VAL 2 HA VAL 2 0.747 -2.637 -3.945 14 HB VAL 2 HB VAL 2 -0.463 -1.842 -6.028 15 HG11 VAL 2 1HG1 VAL 2 -1.907 -2.328 -4.313 16 HG12 VAL 2 2HG1 VAL 2 -1.195 -1.133 -3.227 17 HG13 VAL 2 3HG1 VAL 2 -2.247 -0.614 -4.544 18 HG21 VAL 2 3HG2 VAL 2 -0.583 0.339 -6.605 19 HG22 VAL 2 1HG2 VAL 2 -0.560 0.893 -4.931 20 HG23 VAL 2 2HG2 VAL 2 0.945 0.437 -5.729 21 H ARG 3 H ARG 3 2.849 -0.166 -5.184 22 HA ARG 3 HA ARG 3 3.694 -1.810 -7.435 23 HB2 ARG 3 HB2 ARG 3 3.416 0.823 -7.316 24 HB3 ARG 3 HB3 ARG 3 5.064 0.739 -6.707 25 HG2 ARG 3 HG2 ARG 3 5.159 1.111 -9.056 26 HG3 ARG 3 HG3 ARG 3 5.683 -0.545 -8.747 27 HD2 ARG 3 HD2 ARG 3 3.716 -1.456 -9.589 28 HD3 ARG 3 HD3 ARG 3 2.824 0.053 -9.399 29 HE ARG 3 HE ARG 3 4.916 0.405 -11.257 30 HH11 ARG 3 1HH1 ARG 3 1.816 -1.144 -10.919 31 HH12 ARG 3 2HH1 ARG 3 1.450 -1.072 -12.611 32 HH21 ARG 3 1HH2 ARG 3 4.445 0.506 -13.486 33 HH22 ARG 3 2HH2 ARG 3 2.946 -0.134 -14.070 34 H TYR 4 H TYR 4 4.719 -0.927 -4.240 35 HA TYR 4 HA TYR 4 7.308 -2.252 -4.671 36 HB2 TYR 4 HB2 TYR 4 6.528 -0.586 -2.279 37 HB3 TYR 4 HB3 TYR 4 8.144 -1.073 -2.776 38 HD1 TYR 4 HD2 TYR 4 8.103 -0.410 -5.648 39 HD2 TYR 4 HD1 TYR 4 6.571 1.743 -2.314 40 HE1 TYR 4 HE2 TYR 4 8.355 1.693 -6.898 41 HE2 TYR 4 HE1 TYR 4 6.818 3.852 -3.554 42 HH TYR 4 HH TYR 4 8.519 4.028 -6.559 43 H THR 5 H THR 5 7.976 -2.996 -2.154 44 HA THR 5 HA THR 5 6.386 -5.358 -1.793 45 HB THR 5 HB THR 5 8.866 -5.337 -1.514 46 HG1 THR 5 HG1 THR 5 7.288 -6.841 -0.405 47 HG21 THR 5 3HG2 THR 5 9.862 -4.446 0.483 48 HG22 THR 5 1HG2 THR 5 8.287 -3.964 1.111 49 HG23 THR 5 2HG2 THR 5 8.958 -3.153 -0.304 50 H LYS 6 H LYS 6 5.528 -6.033 0.307 51 HA LYS 6 HA LYS 6 3.652 -4.276 1.340 52 HB2 LYS 6 HB2 LYS 6 4.880 -6.776 2.492 53 HB3 LYS 6 HB3 LYS 6 3.592 -5.902 3.312 54 HG2 LYS 6 HG2 LYS 6 3.204 -6.702 0.471 55 HG3 LYS 6 HG3 LYS 6 3.061 -7.923 1.738 56 HD2 LYS 6 HD2 LYS 6 0.890 -7.182 1.608 57 HD3 LYS 6 HD3 LYS 6 1.524 -6.120 2.867 58 HE2 LYS 6 HE2 LYS 6 1.595 -4.286 1.465 59 HE3 LYS 6 HE3 LYS 6 1.679 -5.273 0.007 60 HZ1 LYS 6 HZ1 LYS 6 -0.731 -5.901 1.153 61 HZ2 LYS 6 HZ2 LYS 6 -0.487 -4.915 -0.198 62 HZ3 LYS 6 HZ3 LYS 6 -0.606 -4.225 1.342 63 H LYS 7 H LYS 7 6.973 -4.812 2.291 64 HA LYS 7 HA LYS 7 6.699 -3.140 4.657 65 HB2 LYS 7 HB2 LYS 7 8.360 -5.261 3.993 66 HB3 LYS 7 HB3 LYS 7 9.419 -3.860 3.891 67 HG2 LYS 7 HG2 LYS 7 9.699 -4.154 6.083 68 HG3 LYS 7 HG3 LYS 7 8.110 -3.400 6.239 69 HD2 LYS 7 HD2 LYS 7 8.466 -6.366 5.875 70 HD3 LYS 7 HD3 LYS 7 8.458 -5.600 7.465 71 HE2 LYS 7 HE2 LYS 7 6.229 -4.641 6.925 72 HE3 LYS 7 HE3 LYS 7 6.242 -5.557 5.419 73 HZ1 LYS 7 HZ1 LYS 7 6.742 -7.079 7.843 74 HZ2 LYS 7 HZ2 LYS 7 5.822 -7.481 6.482 75 HZ3 LYS 7 HZ3 LYS 7 5.174 -6.466 7.670 76 H VAL 8 H VAL 8 8.924 -1.702 4.834 77 HA VAL 8 HA VAL 8 8.456 0.572 3.317 78 HB VAL 8 HB VAL 8 11.073 -0.242 4.589 79 HG11 VAL 8 1HG1 VAL 8 11.600 2.115 4.625 80 HG12 VAL 8 2HG1 VAL 8 11.254 1.615 2.968 81 HG13 VAL 8 3HG1 VAL 8 10.044 2.506 3.892 82 HG21 VAL 8 3HG2 VAL 8 9.235 -0.298 6.186 83 HG22 VAL 8 1HG2 VAL 8 10.303 1.066 6.515 84 HG23 VAL 8 2HG2 VAL 8 8.755 1.331 5.712 85 HA PRO 9 HA PRO 9 10.153 -0.459 -0.635 86 HB2 PRO 9 HB2 PRO 9 10.195 2.054 -1.662 87 HB3 PRO 9 HB3 PRO 9 8.709 1.115 -1.483 88 HG2 PRO 9 HG2 PRO 9 9.812 3.268 0.280 89 HG3 PRO 9 HG3 PRO 9 8.142 3.007 -0.256 90 HD2 PRO 9 HD2 PRO 9 9.015 2.274 2.200 91 HD3 PRO 9 HD3 PRO 9 7.756 1.377 1.327 92 H GLN 10 H GLN 10 12.230 -1.051 0.351 93 HA GLN 10 HA GLN 10 14.251 1.071 0.298 94 HB2 GLN 10 HB2 GLN 10 13.824 -0.963 2.100 95 HB3 GLN 10 HB3 GLN 10 15.125 -1.606 1.107 96 HG2 GLN 10 HG2 GLN 10 16.382 -0.522 2.634 97 HG3 GLN 10 HG3 GLN 10 16.115 0.823 1.526 98 HE21 GLN 10 1HE2 GLN 10 16.759 1.706 3.821 99 HE22 GLN 10 2HE2 GLN 10 15.417 2.219 4.781 100 H VAL 11 H VAL 11 16.527 -0.299 -0.236 101 HA VAL 11 HA VAL 11 16.671 -0.349 -2.997 102 HB VAL 11 HB VAL 11 18.782 -1.715 -2.669 103 HG11 VAL 11 1HG1 VAL 11 18.300 0.878 -1.231 104 HG12 VAL 11 2HG1 VAL 11 19.905 0.154 -1.347 105 HG13 VAL 11 3HG1 VAL 11 19.036 0.615 -2.812 106 HG21 VAL 11 3HG2 VAL 11 17.582 -2.327 -0.231 107 HG22 VAL 11 1HG2 VAL 11 19.228 -2.715 -0.731 108 HG23 VAL 11 2HG2 VAL 11 18.907 -1.238 0.177 109 H SER 12 H SER 12 15.763 -2.886 -0.779 110 HA SER 12 HA SER 12 15.697 -4.849 -2.953 111 HB2 SER 12 HB2 SER 12 16.764 -5.650 -0.942 112 HB3 SER 12 HB3 SER 12 15.386 -5.154 0.041 113 HG SER 12 HG SER 12 15.687 -7.359 -1.630 114 H THR 13 H THR 13 13.890 -4.661 -4.126 115 HA THR 13 HA THR 13 11.348 -5.146 -2.849 116 HB THR 13 HB THR 13 10.418 -3.104 -4.276 117 HG1 THR 13 HG1 THR 13 11.839 -1.432 -4.406 118 HG21 THR 13 3HG2 THR 13 11.490 -2.009 -1.819 119 HG22 THR 13 1HG2 THR 13 10.842 -3.630 -1.576 120 HG23 THR 13 2HG2 THR 13 9.819 -2.364 -2.255 121 HA PRO 14 HA PRO 14 10.418 -7.127 -6.653 122 HB2 PRO 14 HB2 PRO 14 7.743 -6.721 -6.875 123 HB3 PRO 14 HB3 PRO 14 8.452 -7.829 -5.694 124 HG2 PRO 14 HG2 PRO 14 7.483 -5.022 -5.315 125 HG3 PRO 14 HG3 PRO 14 7.247 -6.437 -4.273 126 HD2 PRO 14 HD2 PRO 14 9.110 -4.541 -3.755 127 HD3 PRO 14 HD3 PRO 14 9.342 -6.249 -3.330 128 H THR 15 H THR 15 10.554 -6.652 -8.767 129 HA THR 15 HA THR 15 9.945 -3.895 -9.593 130 HB THR 15 HB THR 15 11.407 -4.584 -11.624 131 HG1 THR 15 HG1 THR 15 12.972 -6.200 -11.001 132 HG21 THR 15 3HG2 THR 15 11.932 -3.137 -9.454 133 HG22 THR 15 1HG2 THR 15 13.174 -3.515 -10.648 134 HG23 THR 15 2HG2 THR 15 13.063 -4.458 -9.161 135 H LEU 16 H LEU 16 7.657 -4.683 -9.703 136 HA LEU 16 HA LEU 16 6.814 -6.595 -11.580 137 HB2 LEU 16 HB2 LEU 16 5.362 -5.804 -9.816 138 HB3 LEU 16 HB3 LEU 16 5.389 -4.174 -10.486 139 HG LEU 16 HG LEU 16 4.302 -5.234 -12.564 140 HD11 LEU 16 1HD1 LEU 16 3.071 -7.254 -10.843 141 HD12 LEU 16 2HD1 LEU 16 4.761 -7.568 -11.235 142 HD13 LEU 16 3HD1 LEU 16 3.582 -7.352 -12.528 143 HD21 LEU 16 3HD2 LEU 16 2.046 -5.326 -11.196 144 HD22 LEU 16 1HD2 LEU 16 2.900 -3.806 -11.463 145 HD23 LEU 16 2HD2 LEU 16 3.064 -4.650 -9.923 Start of MODEL 2 1 H1 LEU 1 H LEU 1 0.336 2.708 0.311 2 HA LEU 1 HA LEU 1 1.508 3.659 -1.936 3 HB2 LEU 1 HB2 LEU 1 2.105 1.439 -0.095 4 HB3 LEU 1 HB3 LEU 1 2.934 1.380 -1.649 5 HG LEU 1 HG LEU 1 3.027 3.837 0.071 6 HD11 LEU 1 1HD1 LEU 1 4.173 2.738 1.622 7 HD12 LEU 1 2HD1 LEU 1 5.427 2.470 0.412 8 HD13 LEU 1 3HD1 LEU 1 4.172 1.258 0.664 9 HD21 LEU 1 3HD2 LEU 1 3.907 3.286 -2.481 10 HD22 LEU 1 1HD2 LEU 1 5.353 3.069 -1.495 11 HD23 LEU 1 2HD2 LEU 1 4.474 4.598 -1.447 12 H VAL 2 H VAL 2 0.898 0.161 -1.717 13 HA VAL 2 HA VAL 2 0.435 -1.392 -3.322 14 HB VAL 2 HB VAL 2 -1.273 0.779 -4.539 15 HG11 VAL 2 1HG1 VAL 2 -0.789 -1.909 -5.258 16 HG12 VAL 2 2HG1 VAL 2 -2.422 -1.832 -4.594 17 HG13 VAL 2 3HG1 VAL 2 -1.967 -0.792 -5.945 18 HG21 VAL 2 3HG2 VAL 2 -2.179 0.829 -2.462 19 HG22 VAL 2 1HG2 VAL 2 -3.006 -0.615 -3.046 20 HG23 VAL 2 2HG2 VAL 2 -1.568 -0.770 -2.037 21 H ARG 3 H ARG 3 2.789 -0.817 -3.933 22 HA ARG 3 HA ARG 3 2.890 -0.668 -6.803 23 HB2 ARG 3 HB2 ARG 3 3.508 1.672 -5.180 24 HB3 ARG 3 HB3 ARG 3 4.861 1.187 -6.193 25 HG2 ARG 3 HG2 ARG 3 2.068 1.671 -7.205 26 HG3 ARG 3 HG3 ARG 3 3.369 2.863 -7.239 27 HD2 ARG 3 HD2 ARG 3 4.663 1.522 -8.722 28 HD3 ARG 3 HD3 ARG 3 3.577 0.148 -8.522 29 HE ARG 3 HE ARG 3 2.040 2.211 -9.527 30 HH11 ARG 3 1HH1 ARG 3 4.822 0.373 -10.530 31 HH12 ARG 3 2HH1 ARG 3 4.474 0.523 -12.221 32 HH21 ARG 3 1HH2 ARG 3 1.572 2.416 -11.750 33 HH22 ARG 3 2HH2 ARG 3 2.626 1.686 -12.914 34 H TYR 4 H TYR 4 4.923 -0.372 -3.890 35 HA TYR 4 HA TYR 4 6.929 -2.094 -5.135 36 HB2 TYR 4 HB2 TYR 4 7.114 -0.765 -2.433 37 HB3 TYR 4 HB3 TYR 4 8.429 -1.378 -3.430 38 HD1 TYR 4 HD2 TYR 4 8.294 -0.253 -5.949 39 HD2 TYR 4 HD1 TYR 4 7.028 1.527 -2.298 40 HE1 TYR 4 HE2 TYR 4 8.587 1.979 -6.942 41 HE2 TYR 4 HE1 TYR 4 7.315 3.763 -3.281 42 HH TYR 4 HH TYR 4 8.897 4.681 -5.334 43 H THR 5 H THR 5 8.073 -3.337 -3.019 44 HA THR 5 HA THR 5 6.553 -5.630 -2.672 45 HB THR 5 HB THR 5 9.019 -5.469 -2.304 46 HG1 THR 5 HG1 THR 5 7.936 -7.312 -1.565 47 HG21 THR 5 3HG2 THR 5 8.755 -4.816 0.530 48 HG22 THR 5 1HG2 THR 5 8.374 -3.464 -0.535 49 HG23 THR 5 2HG2 THR 5 9.942 -4.264 -0.652 50 H LYS 6 H LYS 6 6.063 -6.526 -0.367 51 HA LYS 6 HA LYS 6 4.049 -4.785 0.759 52 HB2 LYS 6 HB2 LYS 6 3.762 -7.275 0.338 53 HB3 LYS 6 HB3 LYS 6 4.818 -7.540 1.720 54 HG2 LYS 6 HG2 LYS 6 2.585 -7.740 2.485 55 HG3 LYS 6 HG3 LYS 6 3.208 -6.205 3.095 56 HD2 LYS 6 HD2 LYS 6 0.966 -5.876 2.275 57 HD3 LYS 6 HD3 LYS 6 2.099 -5.056 1.197 58 HE2 LYS 6 HE2 LYS 6 1.859 -6.681 -0.472 59 HE3 LYS 6 HE3 LYS 6 1.150 -7.849 0.642 60 HZ1 LYS 6 HZ1 LYS 6 -0.795 -6.360 0.817 61 HZ2 LYS 6 HZ2 LYS 6 -0.561 -6.961 -0.747 62 HZ3 LYS 6 HZ3 LYS 6 -0.123 -5.369 -0.379 63 H LYS 7 H LYS 7 6.228 -3.455 1.278 64 HA LYS 7 HA LYS 7 6.336 -3.293 4.091 65 HB2 LYS 7 HB2 LYS 7 7.932 -5.316 3.221 66 HB3 LYS 7 HB3 LYS 7 9.061 -3.968 3.178 67 HG2 LYS 7 HG2 LYS 7 9.319 -4.038 5.375 68 HG3 LYS 7 HG3 LYS 7 7.576 -3.935 5.634 69 HD2 LYS 7 HD2 LYS 7 8.797 -6.528 4.789 70 HD3 LYS 7 HD3 LYS 7 8.906 -6.019 6.475 71 HE2 LYS 7 HE2 LYS 7 6.284 -5.561 5.967 72 HE3 LYS 7 HE3 LYS 7 6.588 -6.944 4.916 73 HZ1 LYS 7 HZ1 LYS 7 5.945 -7.853 6.952 74 HZ2 LYS 7 HZ2 LYS 7 6.888 -6.776 7.853 75 HZ3 LYS 7 HZ3 LYS 7 7.630 -8.002 6.955 76 H VAL 8 H VAL 8 8.636 -1.991 4.587 77 HA VAL 8 HA VAL 8 8.237 0.567 3.636 78 HB VAL 8 HB VAL 8 10.868 -0.605 4.552 79 HG11 VAL 8 1HG1 VAL 8 11.499 1.662 5.099 80 HG12 VAL 8 2HG1 VAL 8 11.062 1.569 3.392 81 HG13 VAL 8 3HG1 VAL 8 9.932 2.262 4.556 82 HG21 VAL 8 3HG2 VAL 8 8.439 -0.251 5.951 83 HG22 VAL 8 1HG2 VAL 8 10.013 -0.714 6.598 84 HG23 VAL 8 2HG2 VAL 8 9.556 0.988 6.522 85 HA PRO 9 HA PRO 9 9.719 0.424 -0.529 86 HB2 PRO 9 HB2 PRO 9 9.828 3.103 -0.952 87 HB3 PRO 9 HB3 PRO 9 8.311 2.197 -0.918 88 HG2 PRO 9 HG2 PRO 9 9.581 3.847 1.233 89 HG3 PRO 9 HG3 PRO 9 7.880 3.772 0.738 90 HD2 PRO 9 HD2 PRO 9 8.823 2.462 2.912 91 HD3 PRO 9 HD3 PRO 9 7.489 1.834 1.923 92 H GLN 10 H GLN 10 11.788 -0.274 -0.667 93 HA GLN 10 HA GLN 10 13.895 1.727 -0.390 94 HB2 GLN 10 HB2 GLN 10 14.069 -1.007 0.888 95 HB3 GLN 10 HB3 GLN 10 15.345 0.202 0.857 96 HG2 GLN 10 HG2 GLN 10 13.866 1.717 2.150 97 HG3 GLN 10 HG3 GLN 10 12.701 0.400 2.276 98 HE21 GLN 10 1HE2 GLN 10 16.232 0.544 2.571 99 HE22 GLN 10 2HE2 GLN 10 16.301 -0.163 4.146 100 H VAL 11 H VAL 11 16.092 0.292 -0.943 101 HA VAL 11 HA VAL 11 15.931 -0.143 -3.709 102 HB VAL 11 HB VAL 11 18.207 -1.025 -3.562 103 HG11 VAL 11 1HG1 VAL 11 18.916 1.073 -3.396 104 HG12 VAL 11 2HG1 VAL 11 17.337 1.517 -2.744 105 HG13 VAL 11 3HG1 VAL 11 18.649 1.069 -1.653 106 HG21 VAL 11 3HG2 VAL 11 17.422 -1.456 -0.763 107 HG22 VAL 11 1HG2 VAL 11 18.583 -2.326 -1.766 108 HG23 VAL 11 2HG2 VAL 11 19.048 -0.810 -0.992 109 H SER 12 H SER 12 15.406 -2.258 -1.020 110 HA SER 12 HA SER 12 15.664 -4.682 -2.573 111 HB2 SER 12 HB2 SER 12 16.247 -5.095 -0.368 112 HB3 SER 12 HB3 SER 12 14.992 -4.034 0.272 113 HG SER 12 HG SER 12 14.739 -6.654 -0.753 114 H THR 13 H THR 13 14.141 -5.372 -3.905 115 HA THR 13 HA THR 13 11.395 -5.518 -3.138 116 HB THR 13 HB THR 13 10.859 -4.180 -5.426 117 HG1 THR 13 HG1 THR 13 13.193 -3.566 -5.422 118 HG21 THR 13 3HG2 THR 13 10.208 -3.908 -2.824 119 HG22 THR 13 1HG2 THR 13 9.725 -2.760 -4.072 120 HG23 THR 13 2HG2 THR 13 11.134 -2.426 -3.065 121 HA PRO 14 HA PRO 14 11.366 -8.761 -6.095 122 HB2 PRO 14 HB2 PRO 14 8.799 -8.711 -6.979 123 HB3 PRO 14 HB3 PRO 14 9.249 -9.275 -5.365 124 HG2 PRO 14 HG2 PRO 14 8.170 -6.613 -6.209 125 HG3 PRO 14 HG3 PRO 14 7.735 -7.602 -4.803 126 HD2 PRO 14 HD2 PRO 14 9.402 -5.475 -4.629 127 HD3 PRO 14 HD3 PRO 14 9.565 -6.904 -3.588 128 H THR 15 H THR 15 11.078 -9.303 -8.367 129 HA THR 15 HA THR 15 11.852 -7.128 -10.076 130 HB THR 15 HB THR 15 11.295 -10.024 -10.747 131 HG1 THR 15 HG1 THR 15 13.732 -8.615 -10.285 132 HG21 THR 15 3HG2 THR 15 12.608 -9.535 -12.798 133 HG22 THR 15 1HG2 THR 15 12.585 -7.826 -12.366 134 HG23 THR 15 2HG2 THR 15 11.076 -8.663 -12.731 135 H LEU 16 H LEU 16 10.069 -5.753 -10.199 136 HA LEU 16 HA LEU 16 7.629 -6.850 -11.407 137 HB2 LEU 16 HB2 LEU 16 8.196 -4.287 -9.940 138 HB3 LEU 16 HB3 LEU 16 6.696 -4.566 -10.824 139 HG LEU 16 HG LEU 16 7.577 -6.438 -8.652 140 HD11 LEU 16 1HD1 LEU 16 5.669 -4.258 -8.022 141 HD12 LEU 16 2HD1 LEU 16 7.388 -3.865 -8.043 142 HD13 LEU 16 3HD1 LEU 16 6.786 -5.130 -6.971 143 HD21 LEU 16 3HD2 LEU 16 5.321 -6.172 -10.406 144 HD22 LEU 16 1HD2 LEU 16 4.802 -6.044 -8.725 145 HD23 LEU 16 2HD2 LEU 16 5.704 -7.461 -9.264 Start of MODEL 3 1 H1 LEU 1 H LEU 1 1.755 3.789 -2.205 2 HA LEU 1 HA LEU 1 3.541 2.373 -2.075 3 HB2 LEU 1 HB2 LEU 1 2.480 2.760 0.407 4 HB3 LEU 1 HB3 LEU 1 2.531 1.001 0.310 5 HG LEU 1 HG LEU 1 4.516 1.871 1.409 6 HD11 LEU 1 1HD1 LEU 1 4.981 0.708 -1.329 7 HD12 LEU 1 2HD1 LEU 1 4.821 -0.160 0.197 8 HD13 LEU 1 3HD1 LEU 1 6.232 0.856 -0.095 9 HD21 LEU 1 3HD2 LEU 1 5.450 3.145 -1.118 10 HD22 LEU 1 1HD2 LEU 1 5.916 3.472 0.552 11 HD23 LEU 1 2HD2 LEU 1 4.362 4.043 -0.057 12 H VAL 2 H VAL 2 1.301 1.385 -3.608 13 HA VAL 2 HA VAL 2 1.208 -1.471 -3.042 14 HB VAL 2 HB VAL 2 -0.114 0.104 -5.256 15 HG11 VAL 2 1HG1 VAL 2 -1.580 -2.135 -5.018 16 HG12 VAL 2 2HG1 VAL 2 -0.239 -1.967 -6.153 17 HG13 VAL 2 3HG1 VAL 2 0.011 -2.771 -4.603 18 HG21 VAL 2 3HG2 VAL 2 -0.900 0.714 -3.002 19 HG22 VAL 2 1HG2 VAL 2 -2.148 -0.094 -3.952 20 HG23 VAL 2 2HG2 VAL 2 -1.285 -0.980 -2.694 21 H ARG 3 H ARG 3 2.729 0.774 -5.222 22 HA ARG 3 HA ARG 3 3.475 -1.041 -7.250 23 HB2 ARG 3 HB2 ARG 3 3.672 1.662 -6.909 24 HB3 ARG 3 HB3 ARG 3 5.347 1.164 -6.714 25 HG2 ARG 3 HG2 ARG 3 5.212 1.587 -8.974 26 HG3 ARG 3 HG3 ARG 3 4.955 -0.158 -8.904 27 HD2 ARG 3 HD2 ARG 3 2.600 0.103 -9.159 28 HD3 ARG 3 HD3 ARG 3 2.712 1.850 -8.948 29 HE ARG 3 HE ARG 3 4.262 1.038 -11.164 30 HH11 ARG 3 1HH1 ARG 3 0.956 1.461 -10.157 31 HH12 ARG 3 2HH1 ARG 3 0.371 1.769 -11.759 32 HH21 ARG 3 1HH2 ARG 3 3.504 1.444 -13.277 33 HH22 ARG 3 2HH2 ARG 3 1.821 1.759 -13.532 34 H TYR 4 H TYR 4 4.768 -0.359 -4.104 35 HA TYR 4 HA TYR 4 7.145 -1.988 -4.674 36 HB2 TYR 4 HB2 TYR 4 6.632 -0.367 -2.181 37 HB3 TYR 4 HB3 TYR 4 8.166 -1.015 -2.752 38 HD1 TYR 4 HD2 TYR 4 8.685 -0.175 -5.305 39 HD2 TYR 4 HD1 TYR 4 6.394 1.909 -2.389 40 HE1 TYR 4 HE2 TYR 4 9.155 1.945 -6.460 41 HE2 TYR 4 HE1 TYR 4 6.856 4.035 -3.536 42 HH TYR 4 HH TYR 4 9.116 4.230 -6.202 43 H THR 5 H THR 5 7.789 -2.938 -2.224 44 HA THR 5 HA THR 5 6.064 -5.175 -1.957 45 HB THR 5 HB THR 5 8.505 -5.261 -1.492 46 HG1 THR 5 HG1 THR 5 7.539 -6.970 -0.590 47 HG21 THR 5 3HG2 THR 5 8.105 -3.029 0.012 48 HG22 THR 5 1HG2 THR 5 9.521 -4.072 0.133 49 HG23 THR 5 2HG2 THR 5 8.179 -4.275 1.258 50 H LYS 6 H LYS 6 5.102 -5.875 0.124 51 HA LYS 6 HA LYS 6 3.188 -4.064 1.038 52 HB2 LYS 6 HB2 LYS 6 2.852 -6.454 1.226 53 HB3 LYS 6 HB3 LYS 6 4.223 -6.599 2.317 54 HG2 LYS 6 HG2 LYS 6 2.166 -6.719 3.563 55 HG3 LYS 6 HG3 LYS 6 3.025 -5.233 3.974 56 HD2 LYS 6 HD2 LYS 6 0.743 -4.643 3.715 57 HD3 LYS 6 HD3 LYS 6 1.574 -4.066 2.269 58 HE2 LYS 6 HE2 LYS 6 -0.536 -5.126 1.684 59 HE3 LYS 6 HE3 LYS 6 0.823 -6.055 1.052 60 HZ1 LYS 6 HZ1 LYS 6 -0.343 -6.753 3.663 61 HZ2 LYS 6 HZ2 LYS 6 0.492 -7.736 2.569 62 HZ3 LYS 6 HZ3 LYS 6 -1.101 -7.268 2.242 63 H LYS 7 H LYS 7 6.440 -4.635 2.089 64 HA LYS 7 HA LYS 7 6.049 -3.064 4.523 65 HB2 LYS 7 HB2 LYS 7 7.564 -5.268 4.082 66 HB3 LYS 7 HB3 LYS 7 8.758 -4.007 3.810 67 HG2 LYS 7 HG2 LYS 7 9.035 -3.802 5.992 68 HG3 LYS 7 HG3 LYS 7 7.339 -3.344 6.167 69 HD2 LYS 7 HD2 LYS 7 8.141 -6.224 5.936 70 HD3 LYS 7 HD3 LYS 7 8.221 -5.383 7.486 71 HE2 LYS 7 HE2 LYS 7 5.903 -4.996 7.515 72 HE3 LYS 7 HE3 LYS 7 5.735 -5.370 5.801 73 HZ1 LYS 7 HZ1 LYS 7 5.725 -7.585 6.189 74 HZ2 LYS 7 HZ2 LYS 7 5.117 -7.093 7.689 75 HZ3 LYS 7 HZ3 LYS 7 6.754 -7.488 7.529 76 H VAL 8 H VAL 8 8.247 -1.689 4.924 77 HA VAL 8 HA VAL 8 8.016 0.617 3.425 78 HB VAL 8 HB VAL 8 9.139 0.598 5.581 79 HG11 VAL 8 1HG1 VAL 8 10.523 -1.583 4.558 80 HG12 VAL 8 2HG1 VAL 8 11.742 -0.316 4.712 81 HG13 VAL 8 3HG1 VAL 8 10.788 -0.799 6.115 82 HG21 VAL 8 3HG2 VAL 8 10.873 1.545 3.303 83 HG22 VAL 8 1HG2 VAL 8 9.634 2.465 4.159 84 HG23 VAL 8 2HG2 VAL 8 11.116 1.995 4.991 85 HA PRO 9 HA PRO 9 9.949 -0.398 -0.422 86 HB2 PRO 9 HB2 PRO 9 10.166 2.133 -1.380 87 HB3 PRO 9 HB3 PRO 9 8.634 1.253 -1.330 88 HG2 PRO 9 HG2 PRO 9 9.694 3.319 0.560 89 HG3 PRO 9 HG3 PRO 9 8.057 3.140 -0.100 90 HD2 PRO 9 HD2 PRO 9 8.721 2.317 2.393 91 HD3 PRO 9 HD3 PRO 9 7.492 1.494 1.411 92 H GLN 10 H GLN 10 12.018 -0.934 -0.668 93 HA GLN 10 HA GLN 10 14.087 1.038 -0.011 94 HB2 GLN 10 HB2 GLN 10 15.487 -0.752 0.966 95 HB3 GLN 10 HB3 GLN 10 14.017 -0.465 1.886 96 HG2 GLN 10 HG2 GLN 10 13.070 -2.468 1.260 97 HG3 GLN 10 HG3 GLN 10 14.065 -2.605 -0.188 98 HE21 GLN 10 1HE2 GLN 10 13.522 -4.168 2.470 99 HE22 GLN 10 2HE2 GLN 10 15.105 -4.705 2.908 100 H VAL 11 H VAL 11 16.327 -0.210 -0.714 101 HA VAL 11 HA VAL 11 16.418 -0.079 -3.471 102 HB VAL 11 HB VAL 11 18.251 -1.743 -1.739 103 HG11 VAL 11 1HG1 VAL 11 18.275 -0.914 -4.566 104 HG12 VAL 11 2HG1 VAL 11 19.801 -0.730 -3.698 105 HG13 VAL 11 3HG1 VAL 11 19.019 -2.308 -3.783 106 HG21 VAL 11 3HG2 VAL 11 19.436 0.724 -2.362 107 HG22 VAL 11 1HG2 VAL 11 17.802 1.091 -1.808 108 HG23 VAL 11 2HG2 VAL 11 18.892 0.159 -0.782 109 H SER 12 H SER 12 15.617 -2.786 -1.415 110 HA SER 12 HA SER 12 15.439 -4.541 -3.766 111 HB2 SER 12 HB2 SER 12 16.802 -5.369 -1.869 112 HB3 SER 12 HB3 SER 12 15.380 -5.282 -0.829 113 HG SER 12 HG SER 12 15.061 -7.247 -1.505 114 H THR 13 H THR 13 13.481 -4.087 -4.651 115 HA THR 13 HA THR 13 11.141 -4.858 -3.087 116 HB THR 13 HB THR 13 9.996 -2.796 -4.336 117 HG1 THR 13 HG1 THR 13 11.976 -2.040 -5.227 118 HG21 THR 13 3HG2 THR 13 10.203 -1.523 -2.244 119 HG22 THR 13 1HG2 THR 13 11.514 -2.585 -1.732 120 HG23 THR 13 2HG2 THR 13 9.885 -3.230 -1.936 121 HA PRO 14 HA PRO 14 9.781 -6.752 -6.805 122 HB2 PRO 14 HB2 PRO 14 7.090 -6.419 -6.669 123 HB3 PRO 14 HB3 PRO 14 7.973 -7.540 -5.626 124 HG2 PRO 14 HG2 PRO 14 6.989 -4.775 -5.033 125 HG3 PRO 14 HG3 PRO 14 6.926 -6.227 -4.017 126 HD2 PRO 14 HD2 PRO 14 8.790 -4.293 -3.679 127 HD3 PRO 14 HD3 PRO 14 9.119 -6.005 -3.344 128 H THR 15 H THR 15 10.547 -5.561 -8.517 129 HA THR 15 HA THR 15 8.803 -3.391 -9.490 130 HB THR 15 HB THR 15 10.798 -2.485 -10.665 131 HG1 THR 15 HG1 THR 15 12.780 -3.367 -10.323 132 HG21 THR 15 3HG2 THR 15 10.052 -2.103 -8.086 133 HG22 THR 15 1HG2 THR 15 11.334 -1.197 -8.889 134 HG23 THR 15 2HG2 THR 15 11.736 -2.584 -7.875 135 H LEU 16 H LEU 16 8.192 -6.018 -10.106 136 HA LEU 16 HA LEU 16 9.333 -6.876 -12.563 137 HB2 LEU 16 HB2 LEU 16 6.990 -7.637 -10.906 138 HB3 LEU 16 HB3 LEU 16 7.001 -8.148 -12.593 139 HG LEU 16 HG LEU 16 9.307 -9.152 -12.065 140 HD11 LEU 16 1HD1 LEU 16 10.079 -9.219 -9.969 141 HD12 LEU 16 2HD1 LEU 16 8.485 -9.542 -9.289 142 HD13 LEU 16 3HD1 LEU 16 8.962 -7.888 -9.669 143 HD21 LEU 16 3HD2 LEU 16 7.743 -10.757 -12.485 144 HD22 LEU 16 1HD2 LEU 16 6.627 -10.151 -11.261 145 HD23 LEU 16 2HD2 LEU 16 8.041 -11.088 -10.778 Start of MODEL 4 1 H1 LEU 1 H LEU 1 0.171 1.471 -0.945 2 HA LEU 1 HA LEU 1 2.552 2.216 -2.513 3 HB2 LEU 1 HB2 LEU 1 2.509 2.322 0.093 4 HB3 LEU 1 HB3 LEU 1 2.691 0.573 -0.022 5 HG LEU 1 HG LEU 1 4.713 1.316 -1.611 6 HD11 LEU 1 1HD1 LEU 1 5.855 3.242 -0.547 7 HD12 LEU 1 2HD1 LEU 1 4.379 3.570 0.361 8 HD13 LEU 1 3HD1 LEU 1 4.375 3.683 -1.399 9 HD21 LEU 1 3HD2 LEU 1 5.133 1.433 1.349 10 HD22 LEU 1 1HD2 LEU 1 6.123 0.668 0.106 11 HD23 LEU 1 2HD2 LEU 1 4.590 -0.060 0.583 12 H VAL 2 H VAL 2 0.758 0.678 -3.811 13 HA VAL 2 HA VAL 2 1.296 -2.128 -3.446 14 HB VAL 2 HB VAL 2 -0.105 -0.714 -5.720 15 HG11 VAL 2 1HG1 VAL 2 0.532 -3.538 -5.176 16 HG12 VAL 2 2HG1 VAL 2 -1.127 -3.210 -5.680 17 HG13 VAL 2 3HG1 VAL 2 0.221 -2.717 -6.705 18 HG21 VAL 2 3HG2 VAL 2 -1.483 -0.279 -3.930 19 HG22 VAL 2 1HG2 VAL 2 -2.113 -1.837 -4.465 20 HG23 VAL 2 2HG2 VAL 2 -1.025 -1.755 -3.079 21 H ARG 3 H ARG 3 2.547 0.469 -5.393 22 HA ARG 3 HA ARG 3 3.763 -0.995 -7.445 23 HB2 ARG 3 HB2 ARG 3 4.696 1.584 -6.172 24 HB3 ARG 3 HB3 ARG 3 5.228 0.960 -7.727 25 HG2 ARG 3 HG2 ARG 3 2.786 1.052 -8.425 26 HG3 ARG 3 HG3 ARG 3 2.526 2.016 -6.970 27 HD2 ARG 3 HD2 ARG 3 4.156 3.650 -7.743 28 HD3 ARG 3 HD3 ARG 3 4.476 2.672 -9.175 29 HE ARG 3 HE ARG 3 2.260 4.444 -8.749 30 HH11 ARG 3 1HH1 ARG 3 3.361 1.617 -10.456 31 HH12 ARG 3 2HH1 ARG 3 2.231 1.802 -11.756 32 HH21 ARG 3 1HH2 ARG 3 0.768 4.699 -10.455 33 HH22 ARG 3 2HH2 ARG 3 0.757 3.556 -11.755 34 H TYR 4 H TYR 4 4.883 -0.175 -4.201 35 HA TYR 4 HA TYR 4 7.358 -1.675 -4.669 36 HB2 TYR 4 HB2 TYR 4 6.653 -0.080 -2.207 37 HB3 TYR 4 HB3 TYR 4 8.247 -0.612 -2.731 38 HD1 TYR 4 HD1 TYR 4 8.568 0.210 -5.408 39 HD2 TYR 4 HD2 TYR 4 6.455 2.210 -2.304 40 HE1 TYR 4 HE1 TYR 4 8.906 2.353 -6.567 41 HE2 TYR 4 HE2 TYR 4 6.786 4.359 -3.454 42 HH TYR 4 HH TYR 4 7.250 4.928 -6.192 43 H THR 5 H THR 5 8.025 -2.617 -2.261 44 HA THR 5 HA THR 5 6.474 -4.959 -2.008 45 HB THR 5 HB THR 5 8.893 -4.810 -1.426 46 HG1 THR 5 HG1 THR 5 8.541 -6.015 0.668 47 HG21 THR 5 3HG2 THR 5 8.351 -3.888 1.305 48 HG22 THR 5 1HG2 THR 5 8.184 -2.640 0.071 49 HG23 THR 5 2HG2 THR 5 9.702 -3.522 0.233 50 H LYS 6 H LYS 6 5.584 -5.719 0.135 51 HA LYS 6 HA LYS 6 3.430 -4.099 0.904 52 HB2 LYS 6 HB2 LYS 6 4.627 -6.401 2.455 53 HB3 LYS 6 HB3 LYS 6 2.995 -5.766 2.620 54 HG2 LYS 6 HG2 LYS 6 3.987 -6.871 0.017 55 HG3 LYS 6 HG3 LYS 6 3.319 -7.913 1.276 56 HD2 LYS 6 HD2 LYS 6 1.399 -7.485 0.136 57 HD3 LYS 6 HD3 LYS 6 1.387 -6.078 1.202 58 HE2 LYS 6 HE2 LYS 6 1.089 -4.989 -0.763 59 HE3 LYS 6 HE3 LYS 6 2.849 -5.080 -0.798 60 HZ1 LYS 6 HZ1 LYS 6 2.811 -6.797 -2.331 61 HZ2 LYS 6 HZ2 LYS 6 1.549 -5.805 -2.863 62 HZ3 LYS 6 HZ3 LYS 6 1.206 -7.217 -1.997 63 H LYS 7 H LYS 7 6.648 -4.470 2.224 64 HA LYS 7 HA LYS 7 6.001 -2.805 4.530 65 HB2 LYS 7 HB2 LYS 7 8.598 -4.135 3.735 66 HB3 LYS 7 HB3 LYS 7 8.314 -3.275 5.242 67 HG2 LYS 7 HG2 LYS 7 6.655 -5.640 4.436 68 HG3 LYS 7 HG3 LYS 7 8.190 -5.817 5.289 69 HD2 LYS 7 HD2 LYS 7 6.133 -3.942 6.366 70 HD3 LYS 7 HD3 LYS 7 5.929 -5.678 6.614 71 HE2 LYS 7 HE2 LYS 7 8.447 -4.183 7.319 72 HE3 LYS 7 HE3 LYS 7 7.126 -4.445 8.456 73 HZ1 LYS 7 HZ1 LYS 7 8.612 -6.176 8.856 74 HZ2 LYS 7 HZ2 LYS 7 8.901 -6.455 7.213 75 HZ3 LYS 7 HZ3 LYS 7 7.417 -6.893 7.897 76 H VAL 8 H VAL 8 8.162 -1.329 4.999 77 HA VAL 8 HA VAL 8 7.877 0.934 3.446 78 HB VAL 8 HB VAL 8 8.935 1.006 5.634 79 HG11 VAL 8 1HG1 VAL 8 11.400 -0.206 4.410 80 HG12 VAL 8 2HG1 VAL 8 11.070 0.120 6.113 81 HG13 VAL 8 3HG1 VAL 8 10.198 -1.163 5.274 82 HG21 VAL 8 3HG2 VAL 8 9.392 2.865 4.188 83 HG22 VAL 8 1HG2 VAL 8 10.868 2.474 5.071 84 HG23 VAL 8 2HG2 VAL 8 10.693 1.984 3.387 85 HA PRO 9 HA PRO 9 9.966 -0.072 -0.322 86 HB2 PRO 9 HB2 PRO 9 10.104 2.447 -1.325 87 HB3 PRO 9 HB3 PRO 9 8.610 1.503 -1.302 88 HG2 PRO 9 HG2 PRO 9 9.524 3.649 0.574 89 HG3 PRO 9 HG3 PRO 9 7.917 3.387 -0.128 90 HD2 PRO 9 HD2 PRO 9 8.540 2.642 2.399 91 HD3 PRO 9 HD3 PRO 9 7.377 1.748 1.399 92 H GLN 10 H GLN 10 12.039 -0.689 0.013 93 HA GLN 10 HA GLN 10 14.014 1.437 0.527 94 HB2 GLN 10 HB2 GLN 10 15.418 -0.270 1.620 95 HB3 GLN 10 HB3 GLN 10 13.879 -0.052 2.441 96 HG2 GLN 10 HG2 GLN 10 13.113 -2.118 1.864 97 HG3 GLN 10 HG3 GLN 10 14.077 -2.186 0.390 98 HE21 GLN 10 1HE2 GLN 10 13.772 -3.309 3.500 99 HE22 GLN 10 2HE2 GLN 10 15.363 -3.947 3.717 100 H VAL 11 H VAL 11 16.328 0.342 -0.064 101 HA VAL 11 HA VAL 11 16.531 0.385 -2.815 102 HB VAL 11 HB VAL 11 18.466 0.673 -1.352 103 HG11 VAL 11 1HG1 VAL 11 17.859 -1.071 0.290 104 HG12 VAL 11 2HG1 VAL 11 18.322 -2.303 -0.886 105 HG13 VAL 11 3HG1 VAL 11 19.533 -1.190 -0.249 106 HG21 VAL 11 3HG2 VAL 11 18.934 -1.698 -3.149 107 HG22 VAL 11 1HG2 VAL 11 18.704 -0.055 -3.745 108 HG23 VAL 11 2HG2 VAL 11 20.080 -0.432 -2.708 109 H SER 12 H SER 12 15.790 -2.292 -0.707 110 HA SER 12 HA SER 12 15.936 -4.173 -2.950 111 HB2 SER 12 HB2 SER 12 17.048 -4.928 -0.932 112 HB3 SER 12 HB3 SER 12 15.593 -4.637 0.022 113 HG SER 12 HG SER 12 15.533 -6.769 -0.432 114 H THR 13 H THR 13 14.143 -4.265 -4.128 115 HA THR 13 HA THR 13 11.589 -4.673 -2.764 116 HB THR 13 HB THR 13 10.631 -3.151 -4.719 117 HG1 THR 13 HG1 THR 13 12.754 -2.663 -5.527 118 HG21 THR 13 3HG2 THR 13 10.578 -1.266 -3.136 119 HG22 THR 13 1HG2 THR 13 11.803 -2.068 -2.153 120 HG23 THR 13 2HG2 THR 13 10.209 -2.798 -2.344 121 HA PRO 14 HA PRO 14 10.831 -7.676 -5.873 122 HB2 PRO 14 HB2 PRO 14 8.151 -7.452 -6.249 123 HB3 PRO 14 HB3 PRO 14 8.861 -8.155 -4.791 124 HG2 PRO 14 HG2 PRO 14 7.793 -5.394 -5.234 125 HG3 PRO 14 HG3 PRO 14 7.574 -6.468 -3.841 126 HD2 PRO 14 HD2 PRO 14 9.360 -4.433 -3.844 127 HD3 PRO 14 HD3 PRO 14 9.634 -5.943 -2.952 128 H THR 15 H THR 15 10.524 -7.979 -8.081 129 HA THR 15 HA THR 15 10.184 -5.503 -9.642 130 HB THR 15 HB THR 15 11.567 -8.000 -10.616 131 HG1 THR 15 HG1 THR 15 13.434 -7.239 -9.806 132 HG21 THR 15 3HG2 THR 15 11.367 -5.155 -11.558 133 HG22 THR 15 1HG2 THR 15 11.027 -6.639 -12.446 134 HG23 THR 15 2HG2 THR 15 12.693 -6.199 -12.068 135 H LEU 16 H LEU 16 7.969 -5.588 -9.942 136 HA LEU 16 HA LEU 16 7.040 -7.759 -11.694 137 HB2 LEU 16 HB2 LEU 16 6.249 -7.748 -9.196 138 HB3 LEU 16 HB3 LEU 16 5.165 -6.477 -9.759 139 HG LEU 16 HG LEU 16 4.057 -8.652 -9.711 140 HD11 LEU 16 1HD1 LEU 16 2.879 -8.231 -11.579 141 HD12 LEU 16 2HD1 LEU 16 4.306 -8.246 -12.614 142 HD13 LEU 16 3HD1 LEU 16 3.914 -6.806 -11.675 143 HD21 LEU 16 3HD2 LEU 16 5.290 -9.883 -11.974 144 HD22 LEU 16 1HD2 LEU 16 5.082 -10.515 -10.340 145 HD23 LEU 16 2HD2 LEU 16 6.516 -9.570 -10.744 Start of MODEL 5 1 H1 LEU 1 H LEU 1 1.314 -0.540 1.284 2 HA LEU 1 HA LEU 1 1.789 1.385 -0.893 3 HB2 LEU 1 HB2 LEU 1 3.490 -0.926 0.034 4 HB3 LEU 1 HB3 LEU 1 3.867 0.141 -1.317 5 HG LEU 1 HG LEU 1 3.505 1.277 1.426 6 HD11 LEU 1 1HD1 LEU 1 5.154 -0.731 1.330 7 HD12 LEU 1 2HD1 LEU 1 5.645 0.770 2.114 8 HD13 LEU 1 3HD1 LEU 1 6.199 0.406 0.480 9 HD21 LEU 1 3HD2 LEU 1 3.975 3.118 0.273 10 HD22 LEU 1 1HD2 LEU 1 4.362 2.186 -1.174 11 HD23 LEU 1 2HD2 LEU 1 5.604 2.480 0.044 12 H VAL 2 H VAL 2 1.402 0.819 -2.973 13 HA VAL 2 HA VAL 2 0.297 -1.876 -3.432 14 HB VAL 2 HB VAL 2 -1.357 -0.041 -3.667 15 HG11 VAL 2 1HG1 VAL 2 -1.065 1.772 -4.969 16 HG12 VAL 2 2HG1 VAL 2 0.648 1.389 -4.788 17 HG13 VAL 2 3HG1 VAL 2 -0.226 0.864 -6.227 18 HG21 VAL 2 3HG2 VAL 2 -0.824 -1.223 -6.374 19 HG22 VAL 2 1HG2 VAL 2 -1.342 -2.221 -5.015 20 HG23 VAL 2 2HG2 VAL 2 -2.372 -0.909 -5.589 21 H ARG 3 H ARG 3 2.570 0.524 -4.466 22 HA ARG 3 HA ARG 3 3.219 -0.948 -6.901 23 HB2 ARG 3 HB2 ARG 3 3.232 1.741 -6.297 24 HB3 ARG 3 HB3 ARG 3 4.937 1.317 -6.202 25 HG2 ARG 3 HG2 ARG 3 3.471 0.316 -8.559 26 HG3 ARG 3 HG3 ARG 3 3.724 2.060 -8.466 27 HD2 ARG 3 HD2 ARG 3 5.648 1.452 -9.531 28 HD3 ARG 3 HD3 ARG 3 6.182 1.315 -7.856 29 HE ARG 3 HE ARG 3 6.374 -0.949 -8.139 30 HH11 ARG 3 1HH1 ARG 3 4.484 0.374 -10.747 31 HH12 ARG 3 2HH1 ARG 3 4.451 -1.106 -11.647 32 HH21 ARG 3 1HH2 ARG 3 6.338 -2.903 -9.315 33 HH22 ARG 3 2HH2 ARG 3 5.505 -2.970 -10.831 34 H TYR 4 H TYR 4 4.610 -0.106 -3.774 35 HA TYR 4 HA TYR 4 7.016 -1.651 -4.382 36 HB2 TYR 4 HB2 TYR 4 6.428 -0.133 -1.842 37 HB3 TYR 4 HB3 TYR 4 7.994 -0.666 -2.444 38 HD1 TYR 4 HD1 TYR 4 7.862 0.211 -5.260 39 HD2 TYR 4 HD2 TYR 4 6.616 2.187 -1.705 40 HE1 TYR 4 HE1 TYR 4 8.181 2.386 -6.364 41 HE2 TYR 4 HE2 TYR 4 6.930 4.367 -2.799 42 HH TYR 4 HH TYR 4 7.316 4.720 -6.118 43 H THR 5 H THR 5 7.797 -2.729 -2.100 44 HA THR 5 HA THR 5 6.186 -5.032 -1.832 45 HB THR 5 HB THR 5 8.642 -5.008 -1.448 46 HG1 THR 5 HG1 THR 5 8.512 -6.569 0.115 47 HG21 THR 5 3HG2 THR 5 9.645 -3.800 0.160 48 HG22 THR 5 1HG2 THR 5 8.398 -4.172 1.349 49 HG23 THR 5 2HG2 THR 5 8.148 -2.869 0.187 50 H LYS 6 H LYS 6 5.247 -5.857 0.175 51 HA LYS 6 HA LYS 6 3.320 -4.161 1.251 52 HB2 LYS 6 HB2 LYS 6 3.679 -6.817 1.288 53 HB3 LYS 6 HB3 LYS 6 4.230 -6.447 2.916 54 HG2 LYS 6 HG2 LYS 6 2.089 -6.607 3.498 55 HG3 LYS 6 HG3 LYS 6 1.895 -5.023 2.742 56 HD2 LYS 6 HD2 LYS 6 1.608 -7.623 1.245 57 HD3 LYS 6 HD3 LYS 6 0.253 -6.786 2.005 58 HE2 LYS 6 HE2 LYS 6 2.052 -5.690 -0.154 59 HE3 LYS 6 HE3 LYS 6 0.386 -6.230 -0.358 60 HZ1 LYS 6 HZ1 LYS 6 1.382 -3.724 0.603 61 HZ2 LYS 6 HZ2 LYS 6 0.240 -4.401 1.651 62 HZ3 LYS 6 HZ3 LYS 6 -0.159 -4.123 0.031 63 H LYS 7 H LYS 7 6.609 -4.706 2.198 64 HA LYS 7 HA LYS 7 6.227 -3.282 4.725 65 HB2 LYS 7 HB2 LYS 7 7.821 -5.421 4.060 66 HB3 LYS 7 HB3 LYS 7 8.957 -4.080 4.006 67 HG2 LYS 7 HG2 LYS 7 9.180 -4.433 6.196 68 HG3 LYS 7 HG3 LYS 7 7.633 -3.596 6.340 69 HD2 LYS 7 HD2 LYS 7 7.826 -6.567 5.915 70 HD3 LYS 7 HD3 LYS 7 7.841 -5.839 7.523 71 HE2 LYS 7 HE2 LYS 7 5.679 -5.152 5.571 72 HE3 LYS 7 HE3 LYS 7 5.595 -6.650 6.496 73 HZ1 LYS 7 HZ1 LYS 7 6.189 -4.272 8.040 74 HZ2 LYS 7 HZ2 LYS 7 5.145 -5.556 8.388 75 HZ3 LYS 7 HZ3 LYS 7 4.642 -4.313 7.357 76 H VAL 8 H VAL 8 8.575 -2.001 5.088 77 HA VAL 8 HA VAL 8 8.243 0.426 3.774 78 HB VAL 8 HB VAL 8 9.459 0.268 5.874 79 HG11 VAL 8 1HG1 VAL 8 11.689 -1.030 4.314 80 HG12 VAL 8 2HG1 VAL 8 11.663 -0.675 6.043 81 HG13 VAL 8 3HG1 VAL 8 10.577 -1.894 5.375 82 HG21 VAL 8 3HG2 VAL 8 9.900 2.222 4.554 83 HG22 VAL 8 1HG2 VAL 8 11.414 1.695 5.288 84 HG23 VAL 8 2HG2 VAL 8 11.094 1.357 3.587 85 HA PRO 9 HA PRO 9 10.004 -0.344 -0.210 86 HB2 PRO 9 HB2 PRO 9 10.191 2.243 -1.013 87 HB3 PRO 9 HB3 PRO 9 8.658 1.364 -0.953 88 HG2 PRO 9 HG2 PRO 9 9.808 3.303 1.017 89 HG3 PRO 9 HG3 PRO 9 8.144 3.170 0.419 90 HD2 PRO 9 HD2 PRO 9 8.911 2.187 2.822 91 HD3 PRO 9 HD3 PRO 9 7.637 1.431 1.844 92 H GLN 10 H GLN 10 12.059 -0.892 -0.536 93 HA GLN 10 HA GLN 10 14.164 1.034 0.160 94 HB2 GLN 10 HB2 GLN 10 13.747 -1.195 1.655 95 HB3 GLN 10 HB3 GLN 10 14.880 -1.812 0.461 96 HG2 GLN 10 HG2 GLN 10 16.589 -0.475 1.181 97 HG3 GLN 10 HG3 GLN 10 15.502 0.757 1.821 98 HE21 GLN 10 1HE2 GLN 10 16.104 0.917 3.884 99 HE22 GLN 10 2HE2 GLN 10 16.149 -0.391 5.011 100 H VAL 11 H VAL 11 16.366 -0.117 -0.748 101 HA VAL 11 HA VAL 11 16.285 0.195 -3.504 102 HB VAL 11 HB VAL 11 18.363 0.338 -2.220 103 HG11 VAL 11 1HG1 VAL 11 17.859 -1.579 -0.710 104 HG12 VAL 11 2HG1 VAL 11 18.265 -2.669 -2.036 105 HG13 VAL 11 3HG1 VAL 11 19.494 -1.595 -1.369 106 HG21 VAL 11 3HG2 VAL 11 18.394 -0.121 -4.664 107 HG22 VAL 11 1HG2 VAL 11 19.818 -0.721 -3.814 108 HG23 VAL 11 2HG2 VAL 11 18.544 -1.840 -4.300 109 H SER 12 H SER 12 15.634 -2.610 -1.560 110 HA SER 12 HA SER 12 15.497 -4.292 -3.966 111 HB2 SER 12 HB2 SER 12 16.861 -5.334 -2.322 112 HB3 SER 12 HB3 SER 12 15.716 -4.966 -1.032 113 HG SER 12 HG SER 12 14.905 -6.852 -1.436 114 H THR 13 H THR 13 13.513 -3.623 -4.768 115 HA THR 13 HA THR 13 11.195 -4.507 -3.188 116 HB THR 13 HB THR 13 10.007 -2.551 -4.543 117 HG1 THR 13 HG1 THR 13 11.518 -1.400 -5.501 118 HG21 THR 13 3HG2 THR 13 11.127 -1.162 -2.377 119 HG22 THR 13 1HG2 THR 13 11.072 -2.855 -1.888 120 HG23 THR 13 2HG2 THR 13 9.598 -2.040 -2.412 121 HA PRO 14 HA PRO 14 9.849 -6.655 -6.771 122 HB2 PRO 14 HB2 PRO 14 7.154 -6.348 -6.648 123 HB3 PRO 14 HB3 PRO 14 8.054 -7.387 -5.537 124 HG2 PRO 14 HG2 PRO 14 7.037 -4.603 -5.121 125 HG3 PRO 14 HG3 PRO 14 6.995 -5.987 -4.013 126 HD2 PRO 14 HD2 PRO 14 8.835 -4.011 -3.808 127 HD3 PRO 14 HD3 PRO 14 9.187 -5.694 -3.364 128 H THR 15 H THR 15 10.029 -6.074 -8.833 129 HA THR 15 HA THR 15 8.539 -3.724 -9.785 130 HB THR 15 HB THR 15 11.255 -4.332 -10.901 131 HG1 THR 15 HG1 THR 15 12.099 -3.756 -9.053 132 HG21 THR 15 3HG2 THR 15 10.944 -1.645 -10.918 133 HG22 THR 15 1HG2 THR 15 9.263 -2.163 -11.035 134 HG23 THR 15 2HG2 THR 15 10.437 -2.701 -12.236 135 H LEU 16 H LEU 16 6.991 -5.208 -10.619 136 HA LEU 16 HA LEU 16 7.931 -6.749 -12.947 137 HB2 LEU 16 HB2 LEU 16 6.927 -8.062 -11.084 138 HB3 LEU 16 HB3 LEU 16 5.417 -7.191 -11.344 139 HG LEU 16 HG LEU 16 5.373 -8.140 -13.664 140 HD11 LEU 16 1HD1 LEU 16 6.774 -10.278 -13.866 141 HD12 LEU 16 2HD1 LEU 16 7.780 -9.575 -12.600 142 HD13 LEU 16 3HD1 LEU 16 7.578 -8.731 -14.135 143 HD21 LEU 16 3HD2 LEU 16 5.355 -10.052 -11.333 144 HD22 LEU 16 1HD2 LEU 16 4.672 -10.394 -12.923 145 HD23 LEU 16 2HD2 LEU 16 3.998 -9.098 -11.934 Start of MODEL 6 1 H1 LEU 1 H LEU 1 2.905 -0.088 1.942 2 HA LEU 1 HA LEU 1 1.364 1.857 0.607 3 HB2 LEU 1 HB2 LEU 1 3.160 2.702 -0.915 4 HB3 LEU 1 HB3 LEU 1 3.228 3.307 0.739 5 HG LEU 1 HG LEU 1 4.911 1.160 0.861 6 HD11 LEU 1 1HD1 LEU 1 6.405 1.851 -1.233 7 HD12 LEU 1 2HD1 LEU 1 4.811 2.137 -1.931 8 HD13 LEU 1 3HD1 LEU 1 5.223 0.544 -1.297 9 HD21 LEU 1 3HD2 LEU 1 6.562 3.272 0.189 10 HD22 LEU 1 1HD2 LEU 1 5.955 2.889 1.800 11 HD23 LEU 1 2HD2 LEU 1 5.100 4.055 0.790 12 H VAL 2 H VAL 2 0.487 0.922 -1.131 13 HA VAL 2 HA VAL 2 1.738 -1.543 -2.137 14 HB VAL 2 HB VAL 2 -0.545 -2.025 -3.085 15 HG11 VAL 2 1HG1 VAL 2 -1.258 -3.058 -1.146 16 HG12 VAL 2 2HG1 VAL 2 0.452 -2.787 -0.805 17 HG13 VAL 2 3HG1 VAL 2 -0.766 -1.710 -0.122 18 HG21 VAL 2 3HG2 VAL 2 -1.167 0.494 -2.798 19 HG22 VAL 2 1HG2 VAL 2 -2.397 -0.750 -2.575 20 HG23 VAL 2 2HG2 VAL 2 -1.632 -0.005 -1.171 21 H ARG 3 H ARG 3 2.729 0.922 -3.041 22 HA ARG 3 HA ARG 3 1.596 1.222 -5.730 23 HB2 ARG 3 HB2 ARG 3 2.226 3.161 -4.011 24 HB3 ARG 3 HB3 ARG 3 3.804 2.968 -4.763 25 HG2 ARG 3 HG2 ARG 3 2.641 4.702 -5.907 26 HG3 ARG 3 HG3 ARG 3 2.716 3.301 -6.977 27 HD2 ARG 3 HD2 ARG 3 0.434 2.709 -6.402 28 HD3 ARG 3 HD3 ARG 3 0.355 4.046 -5.255 29 HE ARG 3 HE ARG 3 1.001 4.926 -7.892 30 HH11 ARG 3 1HH1 ARG 3 -1.622 3.949 -5.821 31 HH12 ARG 3 2HH1 ARG 3 -2.818 4.851 -6.691 32 HH21 ARG 3 1HH2 ARG 3 -0.565 6.118 -9.046 33 HH22 ARG 3 2HH2 ARG 3 -2.215 6.083 -8.526 34 H TYR 4 H TYR 4 4.616 0.527 -4.035 35 HA TYR 4 HA TYR 4 5.787 -0.327 -6.600 36 HB2 TYR 4 HB2 TYR 4 7.333 0.366 -4.103 37 HB3 TYR 4 HB3 TYR 4 7.953 0.173 -5.739 38 HD1 TYR 4 HD2 TYR 4 6.856 1.833 -7.508 39 HD2 TYR 4 HD1 TYR 4 7.025 2.511 -3.311 40 HE1 TYR 4 HE2 TYR 4 6.603 4.249 -7.894 41 HE2 TYR 4 HE1 TYR 4 6.772 4.929 -3.685 42 HH TYR 4 HH TYR 4 7.207 6.387 -6.637 43 H THR 5 H THR 5 6.226 -1.046 -3.132 44 HA THR 5 HA THR 5 6.016 -3.908 -3.774 45 HB THR 5 HB THR 5 8.407 -3.360 -3.574 46 HG1 THR 5 HG1 THR 5 7.786 -4.746 -1.204 47 HG21 THR 5 3HG2 THR 5 8.733 -2.957 -0.822 48 HG22 THR 5 1HG2 THR 5 7.472 -1.829 -1.318 49 HG23 THR 5 2HG2 THR 5 9.045 -1.799 -2.114 50 H LYS 6 H LYS 6 5.587 -5.262 -1.866 51 HA LYS 6 HA LYS 6 3.405 -4.384 -0.395 52 HB2 LYS 6 HB2 LYS 6 5.185 -6.722 -0.360 53 HB3 LYS 6 HB3 LYS 6 4.424 -6.375 1.187 54 HG2 LYS 6 HG2 LYS 6 2.768 -6.463 -1.295 55 HG3 LYS 6 HG3 LYS 6 3.262 -7.962 -0.505 56 HD2 LYS 6 HD2 LYS 6 1.324 -7.628 0.627 57 HD3 LYS 6 HD3 LYS 6 2.371 -6.626 1.635 58 HE2 LYS 6 HE2 LYS 6 1.561 -4.653 0.740 59 HE3 LYS 6 HE3 LYS 6 1.006 -5.433 -0.741 60 HZ1 LYS 6 HZ1 LYS 6 -0.797 -6.431 0.447 61 HZ2 LYS 6 HZ2 LYS 6 -0.811 -4.771 0.768 62 HZ3 LYS 6 HZ3 LYS 6 -0.223 -5.851 1.929 63 H LYS 7 H LYS 7 6.719 -4.909 0.822 64 HA LYS 7 HA LYS 7 6.125 -3.455 3.248 65 HB2 LYS 7 HB2 LYS 7 7.871 -5.475 2.642 66 HB3 LYS 7 HB3 LYS 7 8.939 -4.078 2.669 67 HG2 LYS 7 HG2 LYS 7 9.069 -4.511 4.859 68 HG3 LYS 7 HG3 LYS 7 7.515 -3.678 4.938 69 HD2 LYS 7 HD2 LYS 7 7.807 -6.652 4.544 70 HD3 LYS 7 HD3 LYS 7 7.588 -5.888 6.120 71 HE2 LYS 7 HE2 LYS 7 5.524 -4.777 4.964 72 HE3 LYS 7 HE3 LYS 7 5.675 -6.125 3.838 73 HZ1 LYS 7 HZ1 LYS 7 4.522 -7.305 5.299 74 HZ2 LYS 7 HZ2 LYS 7 4.627 -6.101 6.482 75 HZ3 LYS 7 HZ3 LYS 7 5.859 -7.250 6.334 76 H VAL 8 H VAL 8 8.372 -2.061 3.814 77 HA VAL 8 HA VAL 8 7.981 0.371 2.456 78 HB VAL 8 HB VAL 8 8.834 0.323 4.732 79 HG11 VAL 8 1HG1 VAL 8 10.485 -1.694 3.833 80 HG12 VAL 8 2HG1 VAL 8 11.592 -0.345 4.099 81 HG13 VAL 8 3HG1 VAL 8 10.561 -0.914 5.413 82 HG21 VAL 8 3HG2 VAL 8 9.328 2.303 3.470 83 HG22 VAL 8 1HG2 VAL 8 10.735 1.909 4.457 84 HG23 VAL 8 2HG2 VAL 8 10.736 1.539 2.733 85 HA PRO 9 HA PRO 9 10.446 -0.262 -1.163 86 HB2 PRO 9 HB2 PRO 9 10.552 2.328 -1.969 87 HB3 PRO 9 HB3 PRO 9 9.109 1.324 -2.151 88 HG2 PRO 9 HG2 PRO 9 9.746 3.360 -0.051 89 HG3 PRO 9 HG3 PRO 9 8.223 3.084 -0.917 90 HD2 PRO 9 HD2 PRO 9 8.652 2.179 1.598 91 HD3 PRO 9 HD3 PRO 9 7.629 1.314 0.434 92 H GLN 10 H GLN 10 12.525 -0.782 -0.792 93 HA GLN 10 HA GLN 10 14.424 1.372 -0.363 94 HB2 GLN 10 HB2 GLN 10 13.819 -0.721 1.641 95 HB3 GLN 10 HB3 GLN 10 15.524 -0.397 1.352 96 HG2 GLN 10 HG2 GLN 10 13.517 1.738 2.022 97 HG3 GLN 10 HG3 GLN 10 14.489 0.892 3.226 98 HE21 GLN 10 1HE2 GLN 10 16.630 1.384 3.447 99 HE22 GLN 10 2HE2 GLN 10 17.392 2.704 2.634 100 H VAL 11 H VAL 11 14.610 -2.172 -0.084 101 HA VAL 11 HA VAL 11 16.321 -2.192 -2.482 102 HB VAL 11 HB VAL 11 16.777 -3.903 -0.036 103 HG11 VAL 11 1HG1 VAL 11 18.093 -3.659 -2.704 104 HG12 VAL 11 2HG1 VAL 11 19.054 -4.118 -1.296 105 HG13 VAL 11 3HG1 VAL 11 17.675 -5.104 -1.784 106 HG21 VAL 11 3HG2 VAL 11 18.797 -2.499 0.302 107 HG22 VAL 11 1HG2 VAL 11 18.207 -1.413 -0.956 108 HG23 VAL 11 2HG2 VAL 11 17.286 -1.619 0.533 109 H SER 12 H SER 12 14.170 -4.017 -0.356 110 HA SER 12 HA SER 12 13.951 -6.207 -2.234 111 HB2 SER 12 HB2 SER 12 12.846 -5.611 0.483 112 HB3 SER 12 HB3 SER 12 12.056 -6.836 -0.509 113 HG SER 12 HG SER 12 14.192 -7.139 0.970 114 H THR 13 H THR 13 12.972 -5.575 -4.088 115 HA THR 13 HA THR 13 10.184 -4.678 -3.854 116 HB THR 13 HB THR 13 10.782 -3.418 -6.120 117 HG1 THR 13 HG1 THR 13 12.888 -3.447 -6.380 118 HG21 THR 13 3HG2 THR 13 10.818 -2.597 -3.284 119 HG22 THR 13 1HG2 THR 13 9.851 -1.990 -4.628 120 HG23 THR 13 2HG2 THR 13 11.518 -1.451 -4.427 121 HA PRO 14 HA PRO 14 9.211 -7.762 -6.821 122 HB2 PRO 14 HB2 PRO 14 7.256 -6.565 -8.276 123 HB3 PRO 14 HB3 PRO 14 7.013 -7.125 -6.617 124 HG2 PRO 14 HG2 PRO 14 7.583 -4.363 -7.619 125 HG3 PRO 14 HG3 PRO 14 6.429 -4.887 -6.378 126 HD2 PRO 14 HD2 PRO 14 8.841 -3.819 -5.766 127 HD3 PRO 14 HD3 PRO 14 8.057 -5.048 -4.754 128 H THR 15 H THR 15 11.381 -7.484 -7.825 129 HA THR 15 HA THR 15 11.171 -6.267 -10.503 130 HB THR 15 HB THR 15 13.637 -6.039 -10.470 131 HG1 THR 15 HG1 THR 15 14.630 -7.162 -8.981 132 HG21 THR 15 3HG2 THR 15 12.460 -4.688 -8.050 133 HG22 THR 15 1HG2 THR 15 12.039 -4.222 -9.698 134 HG23 THR 15 2HG2 THR 15 13.706 -4.082 -9.141 135 H LEU 16 H LEU 16 10.195 -8.390 -11.058 136 HA LEU 16 HA LEU 16 12.309 -10.266 -11.837 137 HB2 LEU 16 HB2 LEU 16 9.845 -10.853 -10.263 138 HB3 LEU 16 HB3 LEU 16 10.448 -12.064 -11.394 139 HG LEU 16 HG LEU 16 12.026 -10.907 -9.096 140 HD11 LEU 16 1HD1 LEU 16 10.722 -12.244 -7.862 141 HD12 LEU 16 2HD1 LEU 16 11.670 -13.553 -8.567 142 HD13 LEU 16 3HD1 LEU 16 10.113 -13.116 -9.269 143 HD21 LEU 16 3HD2 LEU 16 13.810 -11.922 -9.945 144 HD22 LEU 16 1HD2 LEU 16 12.880 -12.208 -11.416 145 HD23 LEU 16 2HD2 LEU 16 12.921 -13.433 -10.148 Start of MODEL 7 1 H1 LEU 1 H LEU 1 0.155 2.628 -0.374 2 HA LEU 1 HA LEU 1 2.216 2.393 -2.323 3 HB2 LEU 1 HB2 LEU 1 2.334 3.023 0.198 4 HB3 LEU 1 HB3 LEU 1 2.439 1.282 0.444 5 HG LEU 1 HG LEU 1 4.342 2.564 -1.455 6 HD11 LEU 1 1HD1 LEU 1 5.876 2.886 0.548 7 HD12 LEU 1 2HD1 LEU 1 4.416 2.828 1.535 8 HD13 LEU 1 3HD1 LEU 1 4.604 4.085 0.312 9 HD21 LEU 1 3HD2 LEU 1 4.589 0.257 -1.373 10 HD22 LEU 1 1HD2 LEU 1 4.282 0.185 0.363 11 HD23 LEU 1 2HD2 LEU 1 5.813 0.825 -0.236 12 H VAL 2 H VAL 2 1.053 0.778 -3.664 13 HA VAL 2 HA VAL 2 1.383 -1.963 -2.640 14 HB VAL 2 HB VAL 2 -0.176 -2.683 -4.372 15 HG11 VAL 2 1HG1 VAL 2 -1.414 -0.335 -2.961 16 HG12 VAL 2 2HG1 VAL 2 -2.159 -1.877 -3.388 17 HG13 VAL 2 3HG1 VAL 2 -0.942 -1.807 -2.113 18 HG21 VAL 2 3HG2 VAL 2 0.183 0.102 -5.291 19 HG22 VAL 2 1HG2 VAL 2 -0.097 -1.373 -6.216 20 HG23 VAL 2 2HG2 VAL 2 -1.446 -0.563 -5.419 21 H ARG 3 H ARG 3 2.285 0.269 -5.159 22 HA ARG 3 HA ARG 3 3.317 -1.445 -7.078 23 HB2 ARG 3 HB2 ARG 3 3.142 1.205 -6.917 24 HB3 ARG 3 HB3 ARG 3 4.829 1.044 -6.448 25 HG2 ARG 3 HG2 ARG 3 5.035 -0.409 -8.577 26 HG3 ARG 3 HG3 ARG 3 3.520 0.366 -9.045 27 HD2 ARG 3 HD2 ARG 3 4.639 2.575 -8.619 28 HD3 ARG 3 HD3 ARG 3 6.153 1.692 -8.428 29 HE ARG 3 HE ARG 3 6.277 1.531 -10.699 30 HH11 ARG 3 1HH1 ARG 3 2.975 2.182 -9.810 31 HH12 ARG 3 2HH1 ARG 3 2.431 2.354 -11.446 32 HH21 ARG 3 1HH2 ARG 3 5.574 1.755 -12.857 33 HH22 ARG 3 2HH2 ARG 3 3.910 2.110 -13.178 34 H TYR 4 H TYR 4 4.588 -0.561 -3.963 35 HA TYR 4 HA TYR 4 7.103 -1.962 -4.548 36 HB2 TYR 4 HB2 TYR 4 6.485 -0.330 -2.086 37 HB3 TYR 4 HB3 TYR 4 8.063 -0.836 -2.680 38 HD1 TYR 4 HD1 TYR 4 7.864 -0.115 -5.537 39 HD2 TYR 4 HD2 TYR 4 6.588 1.999 -2.072 40 HE1 TYR 4 HE1 TYR 4 8.088 2.008 -6.758 41 HE2 TYR 4 HE2 TYR 4 6.807 4.129 -3.284 42 HH TYR 4 HH TYR 4 8.452 4.763 -5.605 43 H THR 5 H THR 5 7.935 -2.871 -2.203 44 HA THR 5 HA THR 5 6.461 -5.233 -1.809 45 HB THR 5 HB THR 5 8.902 -4.994 -1.348 46 HG1 THR 5 HG1 THR 5 7.643 -6.738 -0.459 47 HG21 THR 5 3HG2 THR 5 8.431 -4.040 1.392 48 HG22 THR 5 1HG2 THR 5 8.213 -2.822 0.136 49 HG23 THR 5 2HG2 THR 5 9.748 -3.679 0.276 50 H LYS 6 H LYS 6 5.381 -5.985 0.098 51 HA LYS 6 HA LYS 6 3.361 -4.351 1.036 52 HB2 LYS 6 HB2 LYS 6 4.566 -6.743 2.441 53 HB3 LYS 6 HB3 LYS 6 2.983 -6.051 2.770 54 HG2 LYS 6 HG2 LYS 6 3.809 -7.229 0.126 55 HG3 LYS 6 HG3 LYS 6 2.912 -8.093 1.377 56 HD2 LYS 6 HD2 LYS 6 1.973 -5.515 0.131 57 HD3 LYS 6 HD3 LYS 6 1.509 -7.111 -0.463 58 HE2 LYS 6 HE2 LYS 6 0.992 -6.010 2.299 59 HE3 LYS 6 HE3 LYS 6 -0.201 -6.206 1.016 60 HZ1 LYS 6 HZ1 LYS 6 1.045 -8.229 2.720 61 HZ2 LYS 6 HZ2 LYS 6 0.659 -8.673 1.135 62 HZ3 LYS 6 HZ3 LYS 6 -0.552 -8.112 2.174 63 H LYS 7 H LYS 7 6.614 -4.737 2.223 64 HA LYS 7 HA LYS 7 6.031 -3.129 4.595 65 HB2 LYS 7 HB2 LYS 7 8.608 -4.471 3.758 66 HB3 LYS 7 HB3 LYS 7 8.306 -3.687 5.302 67 HG2 LYS 7 HG2 LYS 7 6.431 -5.833 4.544 68 HG3 LYS 7 HG3 LYS 7 8.085 -6.326 4.912 69 HD2 LYS 7 HD2 LYS 7 6.867 -6.436 6.948 70 HD3 LYS 7 HD3 LYS 7 7.887 -4.998 7.044 71 HE2 LYS 7 HE2 LYS 7 6.072 -3.555 6.682 72 HE3 LYS 7 HE3 LYS 7 5.045 -4.859 6.087 73 HZ1 LYS 7 HZ1 LYS 7 5.055 -3.878 8.619 74 HZ2 LYS 7 HZ2 LYS 7 5.966 -5.296 8.767 75 HZ3 LYS 7 HZ3 LYS 7 4.395 -5.361 8.142 76 H VAL 8 H VAL 8 8.293 -1.754 5.035 77 HA VAL 8 HA VAL 8 8.031 0.565 3.562 78 HB VAL 8 HB VAL 8 9.190 0.527 5.700 79 HG11 VAL 8 1HG1 VAL 8 10.581 -1.627 4.607 80 HG12 VAL 8 2HG1 VAL 8 11.786 -0.352 4.803 81 HG13 VAL 8 3HG1 VAL 8 10.834 -0.888 6.188 82 HG21 VAL 8 3HG2 VAL 8 11.149 1.940 5.091 83 HG22 VAL 8 1HG2 VAL 8 10.880 1.506 3.403 84 HG23 VAL 8 2HG2 VAL 8 9.652 2.413 4.288 85 HA PRO 9 HA PRO 9 9.905 -0.405 -0.326 86 HB2 PRO 9 HB2 PRO 9 10.097 2.136 -1.262 87 HB3 PRO 9 HB3 PRO 9 8.569 1.249 -1.197 88 HG2 PRO 9 HG2 PRO 9 9.652 3.300 0.696 89 HG3 PRO 9 HG3 PRO 9 8.006 3.122 0.061 90 HD2 PRO 9 HD2 PRO 9 8.714 2.277 2.535 91 HD3 PRO 9 HD3 PRO 9 7.472 1.459 1.565 92 H GLN 10 H GLN 10 11.971 -0.921 -0.632 93 HA GLN 10 HA GLN 10 14.043 1.045 0.043 94 HB2 GLN 10 HB2 GLN 10 13.638 -1.024 1.690 95 HB3 GLN 10 HB3 GLN 10 14.675 -1.821 0.514 96 HG2 GLN 10 HG2 GLN 10 16.501 -0.576 1.066 97 HG3 GLN 10 HG3 GLN 10 15.539 0.809 1.581 98 HE21 GLN 10 1HE2 GLN 10 16.837 -2.284 2.492 99 HE22 GLN 10 2HE2 GLN 10 16.572 -2.123 4.191 100 H VAL 11 H VAL 11 16.258 0.112 -0.831 101 HA VAL 11 HA VAL 11 16.165 0.160 -3.595 102 HB VAL 11 HB VAL 11 18.213 0.608 -2.330 103 HG11 VAL 11 1HG1 VAL 11 17.660 -1.631 -0.925 104 HG12 VAL 11 2HG1 VAL 11 18.908 -2.236 -2.017 105 HG13 VAL 11 3HG1 VAL 11 19.245 -0.859 -0.966 106 HG21 VAL 11 3HG2 VAL 11 19.699 -0.200 -3.925 107 HG22 VAL 11 1HG2 VAL 11 18.831 -1.725 -4.104 108 HG23 VAL 11 2HG2 VAL 11 18.153 -0.240 -4.771 109 H SER 12 H SER 12 15.864 -2.544 -1.413 110 HA SER 12 HA SER 12 15.924 -4.435 -3.652 111 HB2 SER 12 HB2 SER 12 15.948 -6.182 -1.894 112 HB3 SER 12 HB3 SER 12 17.284 -5.045 -1.720 113 HG SER 12 HG SER 12 16.476 -5.150 0.282 114 H THR 13 H THR 13 13.857 -3.466 -4.393 115 HA THR 13 HA THR 13 11.556 -4.556 -2.907 116 HB THR 13 HB THR 13 10.333 -2.844 -4.545 117 HG1 THR 13 HG1 THR 13 11.603 -1.299 -5.273 118 HG21 THR 13 3HG2 THR 13 10.767 -1.085 -2.653 119 HG22 THR 13 1HG2 THR 13 11.592 -2.430 -1.866 120 HG23 THR 13 2HG2 THR 13 9.887 -2.571 -2.296 121 HA PRO 14 HA PRO 14 10.497 -7.185 -6.257 122 HB2 PRO 14 HB2 PRO 14 7.787 -7.032 -6.274 123 HB3 PRO 14 HB3 PRO 14 8.693 -7.878 -5.015 124 HG2 PRO 14 HG2 PRO 14 7.502 -5.132 -4.971 125 HG3 PRO 14 HG3 PRO 14 7.488 -6.377 -3.709 126 HD2 PRO 14 HD2 PRO 14 9.203 -4.282 -3.670 127 HD3 PRO 14 HD3 PRO 14 9.629 -5.876 -3.016 128 H THR 15 H THR 15 10.986 -6.619 -8.286 129 HA THR 15 HA THR 15 9.520 -4.391 -9.529 130 HB THR 15 HB THR 15 11.477 -4.793 -11.299 131 HG1 THR 15 HG1 THR 15 12.739 -6.296 -10.434 132 HG21 THR 15 3HG2 THR 15 10.915 -2.734 -9.933 133 HG22 THR 15 1HG2 THR 15 12.615 -2.940 -10.353 134 HG23 THR 15 2HG2 THR 15 12.055 -3.334 -8.728 135 H LEU 16 H LEU 16 7.755 -5.246 -10.480 136 HA LEU 16 HA LEU 16 8.064 -7.679 -12.093 137 HB2 LEU 16 HB2 LEU 16 6.223 -7.237 -10.262 138 HB3 LEU 16 HB3 LEU 16 5.423 -6.397 -11.589 139 HG LEU 16 HG LEU 16 6.352 -9.221 -11.938 140 HD11 LEU 16 1HD1 LEU 16 5.090 -9.650 -10.079 141 HD12 LEU 16 2HD1 LEU 16 3.841 -9.692 -11.323 142 HD13 LEU 16 3HD1 LEU 16 4.045 -8.251 -10.327 143 HD21 LEU 16 3HD2 LEU 16 3.857 -8.659 -13.127 144 HD22 LEU 16 1HD2 LEU 16 5.410 -8.917 -13.922 145 HD23 LEU 16 2HD2 LEU 16 4.913 -7.287 -13.466 Start of MODEL 8 1 H1 LEU 1 H LEU 1 0.321 2.347 -0.538 2 HA LEU 1 HA LEU 1 2.720 2.414 -2.230 3 HB2 LEU 1 HB2 LEU 1 3.012 3.088 0.278 4 HB3 LEU 1 HB3 LEU 1 2.886 1.353 0.557 5 HG LEU 1 HG LEU 1 5.213 2.103 0.475 6 HD11 LEU 1 1HD1 LEU 1 5.980 0.299 -0.708 7 HD12 LEU 1 2HD1 LEU 1 4.844 0.542 -2.034 8 HD13 LEU 1 3HD1 LEU 1 4.285 -0.144 -0.509 9 HD21 LEU 1 3HD2 LEU 1 4.821 2.723 -2.436 10 HD22 LEU 1 1HD2 LEU 1 6.200 3.097 -1.401 11 HD23 LEU 1 2HD2 LEU 1 4.679 3.965 -1.191 12 H VAL 2 H VAL 2 1.612 0.915 -3.574 13 HA VAL 2 HA VAL 2 1.469 -1.800 -2.433 14 HB VAL 2 HB VAL 2 -0.246 -0.667 -4.648 15 HG11 VAL 2 1HG1 VAL 2 0.080 -2.939 -5.153 16 HG12 VAL 2 2HG1 VAL 2 -0.022 -3.417 -3.457 17 HG13 VAL 2 3HG1 VAL 2 -1.468 -2.876 -4.311 18 HG21 VAL 2 3HG2 VAL 2 -0.947 0.200 -2.514 19 HG22 VAL 2 1HG2 VAL 2 -2.098 -1.031 -3.035 20 HG23 VAL 2 2HG2 VAL 2 -0.899 -1.410 -1.798 21 H ARG 3 H ARG 3 2.332 0.206 -5.180 22 HA ARG 3 HA ARG 3 3.040 -1.693 -7.053 23 HB2 ARG 3 HB2 ARG 3 3.150 0.963 -7.037 24 HB3 ARG 3 HB3 ARG 3 4.846 0.651 -6.693 25 HG2 ARG 3 HG2 ARG 3 3.671 -0.863 -8.935 26 HG3 ARG 3 HG3 ARG 3 3.855 0.877 -9.167 27 HD2 ARG 3 HD2 ARG 3 6.179 0.782 -8.864 28 HD3 ARG 3 HD3 ARG 3 6.104 -0.823 -8.138 29 HE ARG 3 HE ARG 3 5.157 -1.207 -10.654 30 HH11 ARG 3 1HH1 ARG 3 8.053 0.214 -9.344 31 HH12 ARG 3 2HH1 ARG 3 9.036 -0.216 -10.704 32 HH21 ARG 3 1HH2 ARG 3 6.441 -1.779 -12.451 33 HH22 ARG 3 2HH2 ARG 3 8.118 -1.349 -12.471 34 H TYR 4 H TYR 4 4.697 -0.758 -4.131 35 HA TYR 4 HA TYR 4 6.993 -2.442 -4.838 36 HB2 TYR 4 HB2 TYR 4 6.736 -0.681 -2.402 37 HB3 TYR 4 HB3 TYR 4 8.205 -1.348 -3.105 38 HD1 TYR 4 HD2 TYR 4 7.808 -0.699 -5.965 39 HD2 TYR 4 HD1 TYR 4 7.062 1.629 -2.483 40 HE1 TYR 4 HE2 TYR 4 8.116 1.356 -7.280 41 HE2 TYR 4 HE1 TYR 4 7.365 3.691 -3.789 42 HH TYR 4 HH TYR 4 8.172 3.572 -7.248 43 H THR 5 H THR 5 7.899 -3.231 -2.409 44 HA THR 5 HA THR 5 6.335 -5.501 -1.854 45 HB THR 5 HB THR 5 8.788 -5.353 -1.449 46 HG1 THR 5 HG1 THR 5 8.510 -6.940 -0.073 47 HG21 THR 5 3HG2 THR 5 8.112 -3.089 0.022 48 HG22 THR 5 1HG2 THR 5 9.698 -3.854 -0.066 49 HG23 THR 5 2HG2 THR 5 8.584 -4.281 1.233 50 H LYS 6 H LYS 6 5.361 -6.099 0.204 51 HA LYS 6 HA LYS 6 3.413 -4.291 1.060 52 HB2 LYS 6 HB2 LYS 6 4.483 -6.769 2.421 53 HB3 LYS 6 HB3 LYS 6 3.035 -5.909 2.928 54 HG2 LYS 6 HG2 LYS 6 3.220 -6.807 0.102 55 HG3 LYS 6 HG3 LYS 6 2.914 -8.014 1.354 56 HD2 LYS 6 HD2 LYS 6 0.766 -7.401 0.829 57 HD3 LYS 6 HD3 LYS 6 1.110 -6.268 2.138 58 HE2 LYS 6 HE2 LYS 6 1.362 -4.476 0.692 59 HE3 LYS 6 HE3 LYS 6 1.704 -5.511 -0.693 60 HZ1 LYS 6 HZ1 LYS 6 -0.943 -5.314 0.637 61 HZ2 LYS 6 HZ2 LYS 6 -0.584 -6.162 -0.782 62 HZ3 LYS 6 HZ3 LYS 6 -0.514 -4.472 -0.766 63 H LYS 7 H LYS 7 6.675 -4.774 2.116 64 HA LYS 7 HA LYS 7 6.267 -3.175 4.526 65 HB2 LYS 7 HB2 LYS 7 7.901 -5.317 4.006 66 HB3 LYS 7 HB3 LYS 7 9.012 -3.963 3.844 67 HG2 LYS 7 HG2 LYS 7 9.201 -4.544 6.075 68 HG3 LYS 7 HG3 LYS 7 8.066 -3.192 6.110 69 HD2 LYS 7 HD2 LYS 7 7.184 -4.871 7.542 70 HD3 LYS 7 HD3 LYS 7 6.210 -4.893 6.071 71 HE2 LYS 7 HE2 LYS 7 7.097 -6.900 5.357 72 HE3 LYS 7 HE3 LYS 7 8.577 -6.698 6.293 73 HZ1 LYS 7 HZ1 LYS 7 6.759 -8.375 7.051 74 HZ2 LYS 7 HZ2 LYS 7 6.024 -7.002 7.711 75 HZ3 LYS 7 HZ3 LYS 7 7.582 -7.443 8.199 76 H VAL 8 H VAL 8 8.317 -1.654 4.910 77 HA VAL 8 HA VAL 8 8.004 0.581 3.324 78 HB VAL 8 HB VAL 8 9.055 0.699 5.514 79 HG11 VAL 8 1HG1 VAL 8 11.259 -0.099 5.964 80 HG12 VAL 8 2HG1 VAL 8 10.341 -1.435 5.266 81 HG13 VAL 8 3HG1 VAL 8 11.502 -0.549 4.277 82 HG21 VAL 8 3HG2 VAL 8 10.963 2.194 4.937 83 HG22 VAL 8 1HG2 VAL 8 10.800 1.676 3.259 84 HG23 VAL 8 2HG2 VAL 8 9.483 2.547 4.044 85 HA PRO 9 HA PRO 9 10.120 -0.442 -0.424 86 HB2 PRO 9 HB2 PRO 9 10.220 2.065 -1.461 87 HB3 PRO 9 HB3 PRO 9 8.741 1.097 -1.429 88 HG2 PRO 9 HG2 PRO 9 9.615 3.283 0.420 89 HG3 PRO 9 HG3 PRO 9 8.015 2.986 -0.284 90 HD2 PRO 9 HD2 PRO 9 8.643 2.286 2.256 91 HD3 PRO 9 HD3 PRO 9 7.497 1.359 1.265 92 H GLN 10 H GLN 10 12.223 -0.875 -0.558 93 HA GLN 10 HA GLN 10 14.149 1.236 0.130 94 HB2 GLN 10 HB2 GLN 10 14.555 -1.676 0.812 95 HB3 GLN 10 HB3 GLN 10 15.580 -0.321 1.264 96 HG2 GLN 10 HG2 GLN 10 13.441 0.543 2.465 97 HG3 GLN 10 HG3 GLN 10 12.935 -1.143 2.363 98 HE21 GLN 10 1HE2 GLN 10 15.033 1.127 3.868 99 HE22 GLN 10 2HE2 GLN 10 15.732 0.048 5.022 100 H VAL 11 H VAL 11 16.480 -0.011 -0.479 101 HA VAL 11 HA VAL 11 16.691 0.230 -3.226 102 HB VAL 11 HB VAL 11 18.858 -0.935 -3.040 103 HG11 VAL 11 1HG1 VAL 11 19.611 1.045 -2.377 104 HG12 VAL 11 2HG1 VAL 11 18.037 1.420 -1.673 105 HG13 VAL 11 3HG1 VAL 11 19.268 0.612 -0.702 106 HG21 VAL 11 3HG2 VAL 11 18.478 -2.687 -1.528 107 HG22 VAL 11 1HG2 VAL 11 19.543 -1.580 -0.663 108 HG23 VAL 11 2HG2 VAL 11 17.817 -1.605 -0.303 109 H SER 12 H SER 12 15.784 -2.535 -1.309 110 HA SER 12 HA SER 12 15.694 -4.192 -3.741 111 HB2 SER 12 HB2 SER 12 15.543 -5.197 -0.897 112 HB3 SER 12 HB3 SER 12 15.858 -6.131 -2.359 113 HG SER 12 HG SER 12 17.745 -5.593 -1.055 114 H THR 13 H THR 13 13.739 -4.071 -4.636 115 HA THR 13 HA THR 13 11.422 -4.793 -3.033 116 HB THR 13 HB THR 13 10.201 -2.828 -4.356 117 HG1 THR 13 HG1 THR 13 12.855 -1.873 -3.929 118 HG21 THR 13 3HG2 THR 13 11.246 -3.180 -1.696 119 HG22 THR 13 1HG2 THR 13 9.752 -2.399 -2.214 120 HG23 THR 13 2HG2 THR 13 11.251 -1.473 -2.139 121 HA PRO 14 HA PRO 14 10.129 -6.885 -6.668 122 HB2 PRO 14 HB2 PRO 14 7.428 -6.639 -6.545 123 HB3 PRO 14 HB3 PRO 14 8.348 -7.685 -5.456 124 HG2 PRO 14 HG2 PRO 14 7.270 -4.933 -4.978 125 HG3 PRO 14 HG3 PRO 14 7.256 -6.343 -3.902 126 HD2 PRO 14 HD2 PRO 14 9.053 -4.334 -3.647 127 HD3 PRO 14 HD3 PRO 14 9.440 -6.018 -3.241 128 H THR 15 H THR 15 10.189 -6.320 -8.745 129 HA THR 15 HA THR 15 9.117 -3.693 -9.522 130 HB THR 15 HB THR 15 11.112 -5.379 -11.044 131 HG1 THR 15 HG1 THR 15 11.950 -4.631 -9.018 132 HG21 THR 15 3HG2 THR 15 11.346 -3.610 -12.507 133 HG22 THR 15 1HG2 THR 15 10.754 -2.427 -11.342 134 HG23 THR 15 2HG2 THR 15 9.624 -3.520 -12.142 135 H LEU 16 H LEU 16 6.990 -4.906 -9.491 136 HA LEU 16 HA LEU 16 6.348 -6.910 -11.320 137 HB2 LEU 16 HB2 LEU 16 4.981 -5.830 -9.384 138 HB3 LEU 16 HB3 LEU 16 4.402 -4.743 -10.644 139 HG LEU 16 HG LEU 16 4.179 -7.714 -10.969 140 HD11 LEU 16 1HD1 LEU 16 3.136 -6.582 -8.771 141 HD12 LEU 16 2HD1 LEU 16 2.369 -7.912 -9.638 142 HD13 LEU 16 3HD1 LEU 16 1.840 -6.254 -9.922 143 HD21 LEU 16 3HD2 LEU 16 3.317 -5.333 -12.377 144 HD22 LEU 16 1HD2 LEU 16 1.968 -6.407 -12.007 145 HD23 LEU 16 2HD2 LEU 16 3.354 -7.014 -12.915 Start of MODEL 9 1 H1 LEU 1 H LEU 1 1.548 -0.781 1.268 2 HA LEU 1 HA LEU 1 1.860 1.319 -0.751 3 HB2 LEU 1 HB2 LEU 1 3.648 1.692 0.829 4 HB3 LEU 1 HB3 LEU 1 4.110 -0.007 0.753 5 HG LEU 1 HG LEU 1 4.493 0.545 -1.790 6 HD11 LEU 1 1HD1 LEU 1 5.599 3.051 -1.355 7 HD12 LEU 1 2HD1 LEU 1 4.001 3.140 -0.614 8 HD13 LEU 1 3HD1 LEU 1 4.162 2.680 -2.309 9 HD21 LEU 1 3HD2 LEU 1 6.102 0.225 0.423 10 HD22 LEU 1 1HD2 LEU 1 6.674 1.738 -0.280 11 HD23 LEU 1 2HD2 LEU 1 6.642 0.269 -1.256 12 H VAL 2 H VAL 2 1.459 0.428 -2.654 13 HA VAL 2 HA VAL 2 2.254 -2.377 -3.096 14 HB VAL 2 HB VAL 2 0.014 -0.884 -4.467 15 HG11 VAL 2 1HG1 VAL 2 -0.449 -3.528 -4.860 16 HG12 VAL 2 2HG1 VAL 2 0.380 -2.478 -6.011 17 HG13 VAL 2 3HG1 VAL 2 1.313 -3.482 -4.901 18 HG21 VAL 2 3HG2 VAL 2 0.024 -2.806 -2.159 19 HG22 VAL 2 1HG2 VAL 2 -0.732 -1.216 -2.269 20 HG23 VAL 2 2HG2 VAL 2 -1.400 -2.575 -3.173 21 H ARG 3 H ARG 3 2.465 0.885 -4.199 22 HA ARG 3 HA ARG 3 3.122 0.620 -6.865 23 HB2 ARG 3 HB2 ARG 3 4.169 2.528 -4.776 24 HB3 ARG 3 HB3 ARG 3 4.576 2.668 -6.481 25 HG2 ARG 3 HG2 ARG 3 2.405 3.228 -7.084 26 HG3 ARG 3 HG3 ARG 3 1.721 2.572 -5.595 27 HD2 ARG 3 HD2 ARG 3 2.769 4.377 -4.320 28 HD3 ARG 3 HD3 ARG 3 3.461 5.027 -5.806 29 HE ARG 3 HE ARG 3 0.622 4.785 -5.957 30 HH11 ARG 3 1HH1 ARG 3 3.209 6.769 -4.736 31 HH12 ARG 3 2HH1 ARG 3 2.268 8.225 -4.738 32 HH21 ARG 3 1HH2 ARG 3 -0.626 6.694 -5.964 33 HH22 ARG 3 2HH2 ARG 3 0.087 8.180 -5.435 34 H TYR 4 H TYR 4 5.163 0.135 -4.028 35 HA TYR 4 HA TYR 4 7.291 -0.865 -5.804 36 HB2 TYR 4 HB2 TYR 4 7.673 0.052 -2.956 37 HB3 TYR 4 HB3 TYR 4 8.909 -0.233 -4.176 38 HD1 TYR 4 HD1 TYR 4 8.709 1.278 -6.328 39 HD2 TYR 4 HD2 TYR 4 6.992 2.225 -2.552 40 HE1 TYR 4 HE1 TYR 4 8.633 3.653 -6.964 41 HE2 TYR 4 HE2 TYR 4 6.911 4.602 -3.178 42 HH TYR 4 HH TYR 4 8.207 5.729 -6.282 43 H THR 5 H THR 5 6.393 -1.303 -2.382 44 HA THR 5 HA THR 5 5.980 -4.140 -2.780 45 HB THR 5 HB THR 5 8.451 -3.937 -2.494 46 HG1 THR 5 HG1 THR 5 8.508 -5.682 -1.155 47 HG21 THR 5 3HG2 THR 5 7.825 -2.062 -0.578 48 HG22 THR 5 1HG2 THR 5 9.408 -2.801 -0.813 49 HG23 THR 5 2HG2 THR 5 8.294 -3.465 0.382 50 H LYS 6 H LYS 6 5.012 -5.179 -0.972 51 HA LYS 6 HA LYS 6 3.117 -3.705 0.400 52 HB2 LYS 6 HB2 LYS 6 4.292 -6.427 0.777 53 HB3 LYS 6 HB3 LYS 6 3.236 -5.784 2.027 54 HG2 LYS 6 HG2 LYS 6 2.306 -5.679 -0.793 55 HG3 LYS 6 HG3 LYS 6 2.300 -7.234 0.043 56 HD2 LYS 6 HD2 LYS 6 0.543 -6.663 1.309 57 HD3 LYS 6 HD3 LYS 6 1.199 -5.059 1.647 58 HE2 LYS 6 HE2 LYS 6 -0.586 -4.410 0.414 59 HE3 LYS 6 HE3 LYS 6 0.526 -4.717 -0.919 60 HZ1 LYS 6 HZ1 LYS 6 -1.749 -6.331 0.008 61 HZ2 LYS 6 HZ2 LYS 6 -0.461 -7.094 -0.778 62 HZ3 LYS 6 HZ3 LYS 6 -1.329 -5.875 -1.566 63 H LYS 7 H LYS 7 6.424 -4.429 1.271 64 HA LYS 7 HA LYS 7 6.078 -3.257 3.923 65 HB2 LYS 7 HB2 LYS 7 8.379 -4.675 2.584 66 HB3 LYS 7 HB3 LYS 7 8.539 -3.879 4.144 67 HG2 LYS 7 HG2 LYS 7 6.273 -5.720 3.970 68 HG3 LYS 7 HG3 LYS 7 7.852 -6.484 3.773 69 HD2 LYS 7 HD2 LYS 7 7.245 -6.499 6.108 70 HD3 LYS 7 HD3 LYS 7 8.597 -5.390 5.866 71 HE2 LYS 7 HE2 LYS 7 7.022 -4.348 7.340 72 HE3 LYS 7 HE3 LYS 7 6.960 -3.516 5.786 73 HZ1 LYS 7 HZ1 LYS 7 4.987 -4.821 5.230 74 HZ2 LYS 7 HZ2 LYS 7 4.746 -3.899 6.628 75 HZ3 LYS 7 HZ3 LYS 7 5.034 -5.561 6.751 76 H VAL 8 H VAL 8 8.301 -1.967 4.494 77 HA VAL 8 HA VAL 8 8.033 0.554 3.392 78 HB VAL 8 HB VAL 8 9.187 0.196 5.501 79 HG11 VAL 8 1HG1 VAL 8 10.566 -1.783 4.115 80 HG12 VAL 8 2HG1 VAL 8 11.780 -0.554 4.476 81 HG13 VAL 8 3HG1 VAL 8 10.835 -1.272 5.781 82 HG21 VAL 8 3HG2 VAL 8 10.886 1.501 3.380 83 HG22 VAL 8 1HG2 VAL 8 9.660 2.268 4.390 84 HG23 VAL 8 2HG2 VAL 8 11.155 1.676 5.114 85 HA PRO 9 HA PRO 9 9.914 0.177 -0.594 86 HB2 PRO 9 HB2 PRO 9 10.115 2.829 -1.137 87 HB3 PRO 9 HB3 PRO 9 8.585 1.947 -1.208 88 HG2 PRO 9 HG2 PRO 9 9.668 3.687 0.974 89 HG3 PRO 9 HG3 PRO 9 8.023 3.611 0.317 90 HD2 PRO 9 HD2 PRO 9 8.723 2.401 2.636 91 HD3 PRO 9 HD3 PRO 9 7.481 1.741 1.552 92 H GLN 10 H GLN 10 11.979 -0.451 -0.720 93 HA GLN 10 HA GLN 10 14.069 1.496 -0.101 94 HB2 GLN 10 HB2 GLN 10 14.279 -1.367 0.824 95 HB3 GLN 10 HB3 GLN 10 15.379 -0.042 1.177 96 HG2 GLN 10 HG2 GLN 10 13.561 1.062 2.447 97 HG3 GLN 10 HG3 GLN 10 12.562 -0.365 2.179 98 HE21 GLN 10 1HE2 GLN 10 15.059 1.047 4.027 99 HE22 GLN 10 2HE2 GLN 10 15.351 -0.290 5.081 100 H VAL 11 H VAL 11 16.290 0.043 -0.615 101 HA VAL 11 HA VAL 11 16.498 0.025 -3.366 102 HB VAL 11 HB VAL 11 18.125 -1.686 -1.481 103 HG11 VAL 11 1HG1 VAL 11 18.888 -2.419 -3.482 104 HG12 VAL 11 2HG1 VAL 11 18.347 -0.975 -4.341 105 HG13 VAL 11 3HG1 VAL 11 19.838 -0.936 -3.399 106 HG21 VAL 11 3HG2 VAL 11 18.759 0.250 -0.567 107 HG22 VAL 11 1HG2 VAL 11 19.590 0.574 -2.089 108 HG23 VAL 11 2HG2 VAL 11 17.961 1.195 -1.824 109 H SER 12 H SER 12 15.521 -2.565 -1.208 110 HA SER 12 HA SER 12 15.427 -4.497 -3.380 111 HB2 SER 12 HB2 SER 12 16.200 -5.210 -1.144 112 HB3 SER 12 HB3 SER 12 14.622 -4.795 -0.475 113 HG SER 12 HG SER 12 14.958 -7.064 -1.059 114 H THR 13 H THR 13 13.591 -5.329 -4.286 115 HA THR 13 HA THR 13 10.971 -4.829 -3.290 116 HB THR 13 HB THR 13 10.538 -3.579 -5.683 117 HG1 THR 13 HG1 THR 13 12.793 -3.279 -6.004 118 HG21 THR 13 3HG2 THR 13 10.558 -2.877 -2.872 119 HG22 THR 13 1HG2 THR 13 9.435 -2.393 -4.142 120 HG23 THR 13 2HG2 THR 13 10.927 -1.486 -3.892 121 HA PRO 14 HA PRO 14 9.992 -8.192 -5.933 122 HB2 PRO 14 HB2 PRO 14 7.409 -7.676 -6.590 123 HB3 PRO 14 HB3 PRO 14 7.902 -8.207 -4.978 124 HG2 PRO 14 HG2 PRO 14 7.291 -5.445 -5.958 125 HG3 PRO 14 HG3 PRO 14 6.817 -6.223 -4.436 126 HD2 PRO 14 HD2 PRO 14 8.882 -4.479 -4.599 127 HD3 PRO 14 HD3 PRO 14 8.866 -5.835 -3.454 128 H THR 15 H THR 15 10.826 -8.434 -7.905 129 HA THR 15 HA THR 15 9.946 -6.596 -10.037 130 HB THR 15 HB THR 15 12.242 -6.105 -9.680 131 HG1 THR 15 HG1 THR 15 11.929 -6.261 -11.854 132 HG21 THR 15 3HG2 THR 15 12.405 -8.919 -9.024 133 HG22 THR 15 1HG2 THR 15 13.499 -7.603 -8.601 134 HG23 THR 15 2HG2 THR 15 13.685 -8.443 -10.140 135 H LEU 16 H LEU 16 8.490 -7.716 -11.183 136 HA LEU 16 HA LEU 16 9.348 -10.204 -12.428 137 HB2 LEU 16 HB2 LEU 16 7.932 -10.514 -10.226 138 HB3 LEU 16 HB3 LEU 16 6.589 -10.160 -11.310 139 HG LEU 16 HG LEU 16 6.904 -12.564 -11.008 140 HD11 LEU 16 1HD1 LEU 16 6.160 -11.473 -13.205 141 HD12 LEU 16 2HD1 LEU 16 6.660 -13.163 -13.247 142 HD13 LEU 16 3HD1 LEU 16 7.762 -11.905 -13.803 143 HD21 LEU 16 3HD2 LEU 16 9.464 -12.237 -10.738 144 HD22 LEU 16 1HD2 LEU 16 9.494 -12.401 -12.494 145 HD23 LEU 16 2HD2 LEU 16 8.854 -13.708 -11.497 Start of MODEL 10 1 H1 LEU 1 H LEU 1 0.213 1.326 -0.558 2 HA LEU 1 HA LEU 1 2.440 2.560 -2.025 3 HB2 LEU 1 HB2 LEU 1 2.718 2.469 0.528 4 HB3 LEU 1 HB3 LEU 1 2.896 0.729 0.307 5 HG LEU 1 HG LEU 1 4.762 1.474 -1.398 6 HD11 LEU 1 1HD1 LEU 1 4.654 3.777 -1.413 7 HD12 LEU 1 2HD1 LEU 1 5.934 3.481 -0.238 8 HD13 LEU 1 3HD1 LEU 1 4.307 3.879 0.313 9 HD21 LEU 1 3HD2 LEU 1 4.981 0.136 0.718 10 HD22 LEU 1 1HD2 LEU 1 5.274 1.656 1.563 11 HD23 LEU 1 2HD2 LEU 1 6.385 1.120 0.302 12 H VAL 2 H VAL 2 0.294 0.646 -2.749 13 HA VAL 2 HA VAL 2 1.250 -1.981 -2.914 14 HB VAL 2 HB VAL 2 -0.571 -0.563 -4.865 15 HG11 VAL 2 1HG1 VAL 2 0.233 -2.600 -5.830 16 HG12 VAL 2 2HG1 VAL 2 -0.074 -3.488 -4.337 17 HG13 VAL 2 3HG1 VAL 2 -1.423 -2.868 -5.289 18 HG21 VAL 2 3HG2 VAL 2 -1.893 -2.333 -3.032 19 HG22 VAL 2 1HG2 VAL 2 -0.962 -1.126 -2.145 20 HG23 VAL 2 2HG2 VAL 2 -2.171 -0.616 -3.323 21 H ARG 3 H ARG 3 2.048 0.857 -4.733 22 HA ARG 3 HA ARG 3 2.977 -0.176 -7.118 23 HB2 ARG 3 HB2 ARG 3 2.916 2.283 -6.110 24 HB3 ARG 3 HB3 ARG 3 4.608 1.930 -5.782 25 HG2 ARG 3 HG2 ARG 3 4.743 2.917 -7.844 26 HG3 ARG 3 HG3 ARG 3 4.650 1.212 -8.288 27 HD2 ARG 3 HD2 ARG 3 3.155 2.415 -9.706 28 HD3 ARG 3 HD3 ARG 3 2.184 1.499 -8.555 29 HE ARG 3 HE ARG 3 1.347 3.473 -7.788 30 HH11 ARG 3 1HH1 ARG 3 4.370 4.104 -9.394 31 HH12 ARG 3 2HH1 ARG 3 4.242 5.825 -9.240 32 HH21 ARG 3 1HH2 ARG 3 1.166 5.737 -7.580 33 HH22 ARG 3 2HH2 ARG 3 2.419 6.753 -8.207 34 H TYR 4 H TYR 4 4.590 -0.055 -3.979 35 HA TYR 4 HA TYR 4 6.863 -1.534 -5.106 36 HB2 TYR 4 HB2 TYR 4 6.705 -0.326 -2.347 37 HB3 TYR 4 HB3 TYR 4 8.143 -0.827 -3.229 38 HD1 TYR 4 HD1 TYR 4 7.646 0.413 -5.870 39 HD2 TYR 4 HD2 TYR 4 7.048 1.949 -1.948 40 HE1 TYR 4 HE1 TYR 4 7.919 2.701 -6.731 41 HE2 TYR 4 HE2 TYR 4 7.318 4.241 -2.797 42 HH TYR 4 HH TYR 4 8.595 4.945 -5.810 43 H THR 5 H THR 5 7.849 -2.846 -2.976 44 HA THR 5 HA THR 5 6.337 -5.185 -2.856 45 HB THR 5 HB THR 5 8.782 -5.044 -2.384 46 HG1 THR 5 HG1 THR 5 7.508 -6.883 -1.744 47 HG21 THR 5 3HG2 THR 5 9.623 -3.857 -0.687 48 HG22 THR 5 1HG2 THR 5 8.485 -4.560 0.460 49 HG23 THR 5 2HG2 THR 5 8.017 -3.155 -0.497 50 H LYS 6 H LYS 6 5.716 -6.220 -0.666 51 HA LYS 6 HA LYS 6 3.685 -4.525 0.504 52 HB2 LYS 6 HB2 LYS 6 3.561 -7.073 -0.128 53 HB3 LYS 6 HB3 LYS 6 4.267 -7.299 1.467 54 HG2 LYS 6 HG2 LYS 6 2.080 -7.416 2.035 55 HG3 LYS 6 HG3 LYS 6 2.289 -5.668 2.152 56 HD2 LYS 6 HD2 LYS 6 1.495 -6.859 -0.465 57 HD3 LYS 6 HD3 LYS 6 0.281 -6.699 0.807 58 HE2 LYS 6 HE2 LYS 6 1.170 -4.259 0.971 59 HE3 LYS 6 HE3 LYS 6 1.803 -4.572 -0.644 60 HZ1 LYS 6 HZ1 LYS 6 -0.756 -5.460 -0.785 61 HZ2 LYS 6 HZ2 LYS 6 -0.206 -3.961 -1.343 62 HZ3 LYS 6 HZ3 LYS 6 -0.897 -4.088 0.195 63 H LYS 7 H LYS 7 5.874 -3.299 1.220 64 HA LYS 7 HA LYS 7 5.852 -3.350 4.037 65 HB2 LYS 7 HB2 LYS 7 7.727 -5.142 2.780 66 HB3 LYS 7 HB3 LYS 7 8.591 -3.893 3.667 67 HG2 LYS 7 HG2 LYS 7 6.424 -5.635 4.822 68 HG3 LYS 7 HG3 LYS 7 8.157 -5.914 5.006 69 HD2 LYS 7 HD2 LYS 7 6.890 -3.314 5.812 70 HD3 LYS 7 HD3 LYS 7 6.920 -4.702 6.903 71 HE2 LYS 7 HE2 LYS 7 9.456 -3.853 5.591 72 HE3 LYS 7 HE3 LYS 7 8.835 -2.890 6.931 73 HZ1 LYS 7 HZ1 LYS 7 9.441 -4.435 8.393 74 HZ2 LYS 7 HZ2 LYS 7 10.359 -5.128 7.154 75 HZ3 LYS 7 HZ3 LYS 7 8.801 -5.703 7.474 76 H VAL 8 H VAL 8 8.053 -2.108 4.799 77 HA VAL 8 HA VAL 8 7.807 0.499 3.936 78 HB VAL 8 HB VAL 8 8.939 -0.064 6.013 79 HG11 VAL 8 1HG1 VAL 8 10.121 -2.074 4.957 80 HG12 VAL 8 2HG1 VAL 8 11.352 -0.918 4.446 81 HG13 VAL 8 3HG1 VAL 8 11.010 -1.142 6.162 82 HG21 VAL 8 3HG2 VAL 8 9.414 2.111 5.118 83 HG22 VAL 8 1HG2 VAL 8 10.904 1.453 5.796 84 HG23 VAL 8 2HG2 VAL 8 10.654 1.452 4.050 85 HA PRO 9 HA PRO 9 9.734 0.516 -0.046 86 HB2 PRO 9 HB2 PRO 9 9.932 3.209 -0.325 87 HB3 PRO 9 HB3 PRO 9 8.405 2.335 -0.500 88 HG2 PRO 9 HG2 PRO 9 9.459 3.856 1.854 89 HG3 PRO 9 HG3 PRO 9 7.822 3.841 1.174 90 HD2 PRO 9 HD2 PRO 9 8.499 2.412 3.372 91 HD3 PRO 9 HD3 PRO 9 7.272 1.859 2.214 92 H GLN 10 H GLN 10 11.802 -0.094 -0.207 93 HA GLN 10 HA GLN 10 13.877 1.783 0.649 94 HB2 GLN 10 HB2 GLN 10 15.166 0.139 1.775 95 HB3 GLN 10 HB3 GLN 10 13.532 0.001 2.410 96 HG2 GLN 10 HG2 GLN 10 13.172 -1.875 0.775 97 HG3 GLN 10 HG3 GLN 10 14.903 -1.810 0.445 98 HE21 GLN 10 1HE2 GLN 10 16.336 -2.059 2.330 99 HE22 GLN 10 2HE2 GLN 10 15.854 -3.145 3.584 100 H VAL 11 H VAL 11 16.106 0.377 -0.012 101 HA VAL 11 HA VAL 11 15.974 0.410 -2.892 102 HB VAL 11 HB VAL 11 18.424 -0.079 -2.758 103 HG11 VAL 11 1HG1 VAL 11 18.241 2.188 -0.946 104 HG12 VAL 11 2HG1 VAL 11 18.776 2.122 -2.627 105 HG13 VAL 11 3HG1 VAL 11 17.058 2.262 -2.252 106 HG21 VAL 11 3HG2 VAL 11 19.513 -0.527 -0.824 107 HG22 VAL 11 1HG2 VAL 11 18.437 0.483 0.142 108 HG23 VAL 11 2HG2 VAL 11 17.929 -1.135 -0.342 109 H SER 12 H SER 12 14.347 -1.547 -2.401 110 HA SER 12 HA SER 12 15.500 -3.815 -3.603 111 HB2 SER 12 HB2 SER 12 15.415 -3.784 -0.643 112 HB3 SER 12 HB3 SER 12 14.823 -5.254 -1.415 113 HG SER 12 HG SER 12 16.797 -5.499 -2.420 114 H THR 13 H THR 13 13.903 -4.657 -4.752 115 HA THR 13 HA THR 13 11.254 -4.971 -3.578 116 HB THR 13 HB THR 13 10.386 -4.089 -5.930 117 HG1 THR 13 HG1 THR 13 11.705 -2.132 -6.368 118 HG21 THR 13 3HG2 THR 13 10.520 -3.067 -3.304 119 HG22 THR 13 1HG2 THR 13 9.379 -2.635 -4.576 120 HG23 THR 13 2HG2 THR 13 10.878 -1.726 -4.390 121 HA PRO 14 HA PRO 14 11.137 -8.702 -5.887 122 HB2 PRO 14 HB2 PRO 14 8.507 -8.895 -6.535 123 HB3 PRO 14 HB3 PRO 14 9.112 -9.138 -4.892 124 HG2 PRO 14 HG2 PRO 14 7.845 -6.712 -6.105 125 HG3 PRO 14 HG3 PRO 14 7.572 -7.438 -4.510 126 HD2 PRO 14 HD2 PRO 14 9.148 -5.265 -4.871 127 HD3 PRO 14 HD3 PRO 14 9.461 -6.473 -3.608 128 H THR 15 H THR 15 11.730 -9.204 -7.897 129 HA THR 15 HA THR 15 11.219 -7.336 -10.056 130 HB THR 15 HB THR 15 12.661 -8.977 -11.377 131 HG1 THR 15 HG1 THR 15 13.764 -10.517 -10.187 132 HG21 THR 15 3HG2 THR 15 14.731 -8.172 -10.365 133 HG22 THR 15 1HG2 THR 15 13.856 -7.721 -8.903 134 HG23 THR 15 2HG2 THR 15 13.527 -6.885 -10.421 135 H LEU 16 H LEU 16 9.003 -7.608 -10.446 136 HA LEU 16 HA LEU 16 7.824 -10.150 -10.948 137 HB2 LEU 16 HB2 LEU 16 6.672 -7.992 -10.236 138 HB3 LEU 16 HB3 LEU 16 6.780 -7.508 -11.927 139 HG LEU 16 HG LEU 16 5.463 -10.093 -11.204 140 HD11 LEU 16 1HD1 LEU 16 3.395 -8.300 -11.448 141 HD12 LEU 16 2HD1 LEU 16 4.556 -7.434 -10.443 142 HD13 LEU 16 3HD1 LEU 16 3.969 -9.020 -9.944 143 HD21 LEU 16 3HD2 LEU 16 5.467 -8.169 -13.482 144 HD22 LEU 16 1HD2 LEU 16 4.043 -9.171 -13.202 145 HD23 LEU 16 2HD2 LEU 16 5.610 -9.928 -13.490 Start of MODEL 11 1 H1 LEU 1 H LEU 1 0.909 3.721 -0.464 2 HA LEU 1 HA LEU 1 3.071 2.929 -2.092 3 HB2 LEU 1 HB2 LEU 1 2.972 3.699 0.399 4 HB3 LEU 1 HB3 LEU 1 2.774 1.979 0.724 5 HG LEU 1 HG LEU 1 5.098 2.706 0.986 6 HD11 LEU 1 1HD1 LEU 1 4.597 0.409 0.288 7 HD12 LEU 1 2HD1 LEU 1 6.129 0.981 -0.373 8 HD13 LEU 1 3HD1 LEU 1 4.698 0.907 -1.401 9 HD21 LEU 1 3HD2 LEU 1 5.035 3.290 -1.971 10 HD22 LEU 1 1HD2 LEU 1 6.405 3.471 -0.875 11 HD23 LEU 1 2HD2 LEU 1 4.998 4.522 -0.709 12 H VAL 2 H VAL 2 1.768 1.446 -3.483 13 HA VAL 2 HA VAL 2 1.743 -1.270 -2.336 14 HB VAL 2 HB VAL 2 -0.061 -0.210 -4.516 15 HG11 VAL 2 1HG1 VAL 2 0.115 -2.912 -3.191 16 HG12 VAL 2 2HG1 VAL 2 -1.215 -2.397 -4.231 17 HG13 VAL 2 3HG1 VAL 2 0.417 -2.532 -4.887 18 HG21 VAL 2 3HG2 VAL 2 -1.859 -0.583 -2.832 19 HG22 VAL 2 1HG2 VAL 2 -0.605 -0.869 -1.625 20 HG23 VAL 2 2HG2 VAL 2 -0.736 0.708 -2.405 21 H ARG 3 H ARG 3 2.474 0.754 -5.107 22 HA ARG 3 HA ARG 3 3.175 -1.131 -6.999 23 HB2 ARG 3 HB2 ARG 3 4.551 1.507 -6.457 24 HB3 ARG 3 HB3 ARG 3 4.663 0.581 -7.948 25 HG2 ARG 3 HG2 ARG 3 2.289 0.898 -8.349 26 HG3 ARG 3 HG3 ARG 3 2.138 1.778 -6.827 27 HD2 ARG 3 HD2 ARG 3 3.484 3.561 -7.626 28 HD3 ARG 3 HD3 ARG 3 3.990 2.635 -9.037 29 HE ARG 3 HE ARG 3 1.244 2.841 -9.201 30 HH11 ARG 3 1HH1 ARG 3 3.961 5.016 -9.119 31 HH12 ARG 3 2HH1 ARG 3 3.180 6.235 -10.071 32 HH21 ARG 3 1HH2 ARG 3 0.205 4.438 -10.455 33 HH22 ARG 3 2HH2 ARG 3 1.043 5.905 -10.830 34 H TYR 4 H TYR 4 4.896 -0.134 -4.134 35 HA TYR 4 HA TYR 4 7.244 -1.698 -4.911 36 HB2 TYR 4 HB2 TYR 4 6.911 -0.069 -2.394 37 HB3 TYR 4 HB3 TYR 4 8.409 -0.624 -3.133 38 HD1 TYR 4 HD2 TYR 4 7.960 0.134 -5.958 39 HD2 TYR 4 HD1 TYR 4 7.113 2.256 -2.369 40 HE1 TYR 4 HE2 TYR 4 8.150 2.262 -7.177 41 HE2 TYR 4 HE1 TYR 4 7.299 4.389 -3.578 42 HH TYR 4 HH TYR 4 7.015 5.131 -6.055 43 H THR 5 H THR 5 8.211 -2.553 -2.530 44 HA THR 5 HA THR 5 6.953 -4.973 -2.097 45 HB THR 5 HB THR 5 8.280 -5.192 -0.058 46 HG1 THR 5 HG1 THR 5 8.909 -2.435 -0.440 47 HG21 THR 5 3HG2 THR 5 10.510 -4.160 -1.204 48 HG22 THR 5 1HG2 THR 5 9.424 -4.217 -2.591 49 HG23 THR 5 2HG2 THR 5 9.771 -5.687 -1.682 50 H LYS 6 H LYS 6 5.692 -5.803 -0.374 51 HA LYS 6 HA LYS 6 3.431 -4.370 0.298 52 HB2 LYS 6 HB2 LYS 6 4.703 -6.688 1.763 53 HB3 LYS 6 HB3 LYS 6 3.073 -6.099 2.066 54 HG2 LYS 6 HG2 LYS 6 4.023 -7.116 -0.602 55 HG3 LYS 6 HG3 LYS 6 3.195 -8.107 0.602 56 HD2 LYS 6 HD2 LYS 6 2.069 -5.582 -0.606 57 HD3 LYS 6 HD3 LYS 6 1.690 -7.214 -1.164 58 HE2 LYS 6 HE2 LYS 6 1.129 -6.053 1.563 59 HE3 LYS 6 HE3 LYS 6 -0.055 -6.438 0.314 60 HZ1 LYS 6 HZ1 LYS 6 -0.207 -8.301 1.575 61 HZ2 LYS 6 HZ2 LYS 6 1.394 -8.225 2.116 62 HZ3 LYS 6 HZ3 LYS 6 1.054 -8.798 0.561 63 H LYS 7 H LYS 7 6.533 -4.457 1.882 64 HA LYS 7 HA LYS 7 5.491 -2.795 4.071 65 HB2 LYS 7 HB2 LYS 7 7.174 -4.979 4.140 66 HB3 LYS 7 HB3 LYS 7 8.293 -3.626 4.248 67 HG2 LYS 7 HG2 LYS 7 7.774 -4.204 6.462 68 HG3 LYS 7 HG3 LYS 7 6.837 -2.747 6.122 69 HD2 LYS 7 HD2 LYS 7 5.371 -4.224 7.248 70 HD3 LYS 7 HD3 LYS 7 4.908 -4.279 5.545 71 HE2 LYS 7 HE2 LYS 7 5.695 -6.411 5.260 72 HE3 LYS 7 HE3 LYS 7 6.906 -6.251 6.531 73 HZ1 LYS 7 HZ1 LYS 7 5.166 -7.746 7.220 74 HZ2 LYS 7 HZ2 LYS 7 3.981 -6.575 6.930 75 HZ3 LYS 7 HZ3 LYS 7 5.109 -6.347 8.170 76 H VAL 8 H VAL 8 7.771 -1.502 4.858 77 HA VAL 8 HA VAL 8 7.821 0.792 3.342 78 HB VAL 8 HB VAL 8 10.102 -0.276 5.011 79 HG11 VAL 8 1HG1 VAL 8 10.717 1.582 3.503 80 HG12 VAL 8 2HG1 VAL 8 9.449 2.565 4.239 81 HG13 VAL 8 3HG1 VAL 8 10.819 2.021 5.208 82 HG21 VAL 8 3HG2 VAL 8 8.798 1.656 6.473 83 HG22 VAL 8 1HG2 VAL 8 7.478 0.780 5.699 84 HG23 VAL 8 2HG2 VAL 8 8.646 -0.087 6.696 85 HA PRO 9 HA PRO 9 10.073 -0.320 -0.299 86 HB2 PRO 9 HB2 PRO 9 10.508 2.196 -1.221 87 HB3 PRO 9 HB3 PRO 9 8.937 1.393 -1.326 88 HG2 PRO 9 HG2 PRO 9 9.906 3.406 0.667 89 HG3 PRO 9 HG3 PRO 9 8.336 3.308 -0.151 90 HD2 PRO 9 HD2 PRO 9 8.709 2.455 2.391 91 HD3 PRO 9 HD3 PRO 9 7.544 1.693 1.290 92 H GLN 10 H GLN 10 12.167 -0.724 -0.703 93 HA GLN 10 HA GLN 10 14.211 1.011 0.486 94 HB2 GLN 10 HB2 GLN 10 14.399 -1.999 0.563 95 HB3 GLN 10 HB3 GLN 10 15.469 -0.836 1.335 96 HG2 GLN 10 HG2 GLN 10 13.607 -0.137 2.792 97 HG3 GLN 10 HG3 GLN 10 12.600 -1.383 2.057 98 HE21 GLN 10 1HE2 GLN 10 14.836 -0.663 4.473 99 HE22 GLN 10 2HE2 GLN 10 15.113 -2.270 5.044 100 H VAL 11 H VAL 11 16.463 -0.288 -0.307 101 HA VAL 11 HA VAL 11 16.645 0.400 -3.037 102 HB VAL 11 HB VAL 11 18.563 -1.317 -1.458 103 HG11 VAL 11 1HG1 VAL 11 19.219 -1.511 -3.674 104 HG12 VAL 11 2HG1 VAL 11 18.735 0.140 -4.067 105 HG13 VAL 11 3HG1 VAL 11 20.184 -0.150 -3.102 106 HG21 VAL 11 3HG2 VAL 11 19.572 1.271 -1.642 107 HG22 VAL 11 1HG2 VAL 11 17.874 1.476 -1.212 108 HG23 VAL 11 2HG2 VAL 11 18.926 0.485 -0.202 109 H SER 12 H SER 12 15.805 -2.534 -1.421 110 HA SER 12 HA SER 12 15.999 -4.028 -3.949 111 HB2 SER 12 HB2 SER 12 16.234 -6.009 -2.728 112 HB3 SER 12 HB3 SER 12 17.138 -4.845 -1.758 113 HG SER 12 HG SER 12 14.758 -6.151 -1.210 114 H THR 13 H THR 13 14.203 -4.634 -4.972 115 HA THR 13 HA THR 13 11.702 -4.955 -3.524 116 HB THR 13 HB THR 13 10.620 -3.532 -5.474 117 HG1 THR 13 HG1 THR 13 13.303 -2.673 -5.338 118 HG21 THR 13 3HG2 THR 13 9.991 -2.364 -3.686 119 HG22 THR 13 1HG2 THR 13 11.552 -1.545 -3.671 120 HG23 THR 13 2HG2 THR 13 11.332 -3.040 -2.762 121 HA PRO 14 HA PRO 14 10.922 -8.092 -6.492 122 HB2 PRO 14 HB2 PRO 14 8.224 -7.961 -6.768 123 HB3 PRO 14 HB3 PRO 14 9.012 -8.590 -5.316 124 HG2 PRO 14 HG2 PRO 14 7.842 -5.879 -5.813 125 HG3 PRO 14 HG3 PRO 14 7.710 -6.909 -4.375 126 HD2 PRO 14 HD2 PRO 14 9.431 -4.823 -4.521 127 HD3 PRO 14 HD3 PRO 14 9.787 -6.291 -3.588 128 H THR 15 H THR 15 11.543 -7.903 -8.550 129 HA THR 15 HA THR 15 10.325 -5.825 -10.230 130 HB THR 15 HB THR 15 12.774 -5.793 -10.137 131 HG1 THR 15 HG1 THR 15 13.091 -5.906 -12.439 132 HG21 THR 15 3HG2 THR 15 12.459 -8.631 -10.403 133 HG22 THR 15 1HG2 THR 15 13.913 -7.705 -10.031 134 HG23 THR 15 2HG2 THR 15 13.475 -8.023 -11.709 135 H LEU 16 H LEU 16 8.717 -8.016 -9.699 136 HA LEU 16 HA LEU 16 8.892 -10.096 -11.587 137 HB2 LEU 16 HB2 LEU 16 6.529 -10.505 -11.064 138 HB3 LEU 16 HB3 LEU 16 7.520 -10.306 -9.620 139 HG LEU 16 HG LEU 16 6.640 -7.818 -9.791 140 HD11 LEU 16 1HD1 LEU 16 4.046 -8.664 -10.496 141 HD12 LEU 16 2HD1 LEU 16 5.124 -9.165 -11.798 142 HD13 LEU 16 3HD1 LEU 16 5.063 -7.473 -11.307 143 HD21 LEU 16 3HD2 LEU 16 6.291 -9.154 -7.854 144 HD22 LEU 16 1HD2 LEU 16 5.144 -10.192 -8.700 145 HD23 LEU 16 2HD2 LEU 16 4.718 -8.519 -8.339 Start of MODEL 12 1 H1 LEU 1 H LEU 1 1.310 1.255 1.480 2 HA LEU 1 HA LEU 1 1.701 2.199 -1.186 3 HB2 LEU 1 HB2 LEU 1 3.330 1.157 0.988 4 HB3 LEU 1 HB3 LEU 1 3.877 0.608 -0.594 5 HG LEU 1 HG LEU 1 3.361 3.513 -0.241 6 HD11 LEU 1 1HD1 LEU 1 5.275 1.985 1.349 7 HD12 LEU 1 2HD1 LEU 1 4.682 3.632 1.557 8 HD13 LEU 1 3HD1 LEU 1 6.000 3.306 0.433 9 HD21 LEU 1 3HD2 LEU 1 4.096 2.329 -2.375 10 HD22 LEU 1 1HD2 LEU 1 5.657 2.117 -1.583 11 HD23 LEU 1 2HD2 LEU 1 5.030 3.740 -1.875 12 H VAL 2 H VAL 2 0.674 1.122 -2.772 13 HA VAL 2 HA VAL 2 1.250 -1.753 -3.032 14 HB VAL 2 HB VAL 2 -1.007 -1.996 -4.120 15 HG11 VAL 2 1HG1 VAL 2 -1.966 -1.336 -1.542 16 HG12 VAL 2 2HG1 VAL 2 -1.498 -2.920 -2.162 17 HG13 VAL 2 3HG1 VAL 2 -0.304 -1.897 -1.361 18 HG21 VAL 2 3HG2 VAL 2 -2.029 0.356 -2.672 19 HG22 VAL 2 1HG2 VAL 2 -1.081 0.703 -4.118 20 HG23 VAL 2 2HG2 VAL 2 -2.513 -0.320 -4.227 21 H ARG 3 H ARG 3 2.504 0.654 -4.199 22 HA ARG 3 HA ARG 3 1.886 0.195 -7.042 23 HB2 ARG 3 HB2 ARG 3 3.245 2.580 -5.774 24 HB3 ARG 3 HB3 ARG 3 2.859 2.397 -7.479 25 HG2 ARG 3 HG2 ARG 3 0.521 2.502 -7.041 26 HG3 ARG 3 HG3 ARG 3 0.789 2.413 -5.299 27 HD2 ARG 3 HD2 ARG 3 2.220 4.571 -5.733 28 HD3 ARG 3 HD3 ARG 3 1.217 4.688 -7.178 29 HE ARG 3 HE ARG 3 -0.498 5.382 -5.851 30 HH11 ARG 3 1HH1 ARG 3 1.795 3.657 -3.879 31 HH12 ARG 3 2HH1 ARG 3 0.964 3.987 -2.395 32 HH21 ARG 3 1HH2 ARG 3 -1.600 5.824 -3.903 33 HH22 ARG 3 2HH2 ARG 3 -0.967 5.219 -2.410 34 H TYR 4 H TYR 4 4.575 0.814 -4.798 35 HA TYR 4 HA TYR 4 6.513 -0.094 -6.751 36 HB2 TYR 4 HB2 TYR 4 7.037 0.568 -3.855 37 HB3 TYR 4 HB3 TYR 4 8.184 0.574 -5.190 38 HD1 TYR 4 HD2 TYR 4 6.746 2.087 -7.246 39 HD2 TYR 4 HD1 TYR 4 6.989 2.748 -3.050 40 HE1 TYR 4 HE2 TYR 4 6.320 4.483 -7.604 41 HE2 TYR 4 HE1 TYR 4 6.563 5.145 -3.397 42 HH TYR 4 HH TYR 4 5.952 6.452 -6.640 43 H THR 5 H THR 5 5.905 -1.017 -3.359 44 HA THR 5 HA THR 5 5.900 -3.826 -4.066 45 HB THR 5 HB THR 5 8.320 -3.286 -3.821 46 HG1 THR 5 HG1 THR 5 8.638 -4.979 -2.147 47 HG21 THR 5 3HG2 THR 5 7.433 -1.813 -1.604 48 HG22 THR 5 1HG2 THR 5 9.098 -2.069 -2.123 49 HG23 THR 5 2HG2 THR 5 8.364 -3.159 -0.947 50 H LYS 6 H LYS 6 5.736 -5.179 -1.968 51 HA LYS 6 HA LYS 6 3.469 -4.270 -0.539 52 HB2 LYS 6 HB2 LYS 6 5.230 -6.662 -0.466 53 HB3 LYS 6 HB3 LYS 6 4.273 -6.333 0.973 54 HG2 LYS 6 HG2 LYS 6 2.897 -7.735 -0.229 55 HG3 LYS 6 HG3 LYS 6 2.294 -6.139 -0.684 56 HD2 LYS 6 HD2 LYS 6 4.455 -7.289 -2.353 57 HD3 LYS 6 HD3 LYS 6 2.862 -8.039 -2.476 58 HE2 LYS 6 HE2 LYS 6 3.065 -5.070 -2.601 59 HE3 LYS 6 HE3 LYS 6 3.544 -6.011 -4.013 60 HZ1 LYS 6 HZ1 LYS 6 0.983 -6.653 -2.760 61 HZ2 LYS 6 HZ2 LYS 6 1.429 -6.698 -4.391 62 HZ3 LYS 6 HZ3 LYS 6 1.076 -5.218 -3.652 63 H LYS 7 H LYS 7 6.818 -4.863 0.529 64 HA LYS 7 HA LYS 7 6.329 -3.562 3.061 65 HB2 LYS 7 HB2 LYS 7 8.840 -4.692 1.815 66 HB3 LYS 7 HB3 LYS 7 8.774 -3.992 3.427 67 HG2 LYS 7 HG2 LYS 7 6.934 -6.225 2.686 68 HG3 LYS 7 HG3 LYS 7 8.608 -6.557 3.137 69 HD2 LYS 7 HD2 LYS 7 6.792 -4.880 4.849 70 HD3 LYS 7 HD3 LYS 7 6.858 -6.638 4.994 71 HE2 LYS 7 HE2 LYS 7 9.410 -6.287 5.208 72 HE3 LYS 7 HE3 LYS 7 8.992 -4.611 5.560 73 HZ1 LYS 7 HZ1 LYS 7 7.965 -6.968 7.047 74 HZ2 LYS 7 HZ2 LYS 7 7.655 -5.346 7.409 75 HZ3 LYS 7 HZ3 LYS 7 9.221 -5.963 7.571 76 H VAL 8 H VAL 8 8.425 -2.077 3.669 77 HA VAL 8 HA VAL 8 7.953 0.403 2.534 78 HB VAL 8 HB VAL 8 9.074 0.168 4.679 79 HG11 VAL 8 1HG1 VAL 8 10.804 -1.187 5.002 80 HG12 VAL 8 2HG1 VAL 8 10.707 -1.653 3.302 81 HG13 VAL 8 3HG1 VAL 8 11.759 -0.325 3.795 82 HG21 VAL 8 3HG2 VAL 8 10.905 1.822 4.331 83 HG22 VAL 8 1HG2 VAL 8 10.704 1.608 2.592 84 HG23 VAL 8 2HG2 VAL 8 9.383 2.267 3.558 85 HA PRO 9 HA PRO 9 9.973 0.161 -1.394 86 HB2 PRO 9 HB2 PRO 9 9.946 2.816 -1.963 87 HB3 PRO 9 HB3 PRO 9 8.505 1.796 -2.066 88 HG2 PRO 9 HG2 PRO 9 9.362 3.649 0.124 89 HG3 PRO 9 HG3 PRO 9 7.750 3.416 -0.577 90 HD2 PRO 9 HD2 PRO 9 8.491 2.297 1.775 91 HD3 PRO 9 HD3 PRO 9 7.347 1.516 0.665 92 H GLN 10 H GLN 10 12.013 -0.510 -0.417 93 HA GLN 10 HA GLN 10 13.980 1.675 -0.441 94 HB2 GLN 10 HB2 GLN 10 13.378 0.729 1.887 95 HB3 GLN 10 HB3 GLN 10 14.274 -0.697 1.382 96 HG2 GLN 10 HG2 GLN 10 16.276 0.609 1.089 97 HG3 GLN 10 HG3 GLN 10 15.397 2.093 1.450 98 HE21 GLN 10 1HE2 GLN 10 14.407 2.224 3.608 99 HE22 GLN 10 2HE2 GLN 10 15.244 1.508 4.938 100 H VAL 11 H VAL 11 14.015 -1.882 -0.165 101 HA VAL 11 HA VAL 11 15.666 -1.974 -2.599 102 HB VAL 11 HB VAL 11 16.157 -3.608 -0.106 103 HG11 VAL 11 1HG1 VAL 11 17.086 -3.819 -2.884 104 HG12 VAL 11 2HG1 VAL 11 18.356 -3.910 -1.662 105 HG13 VAL 11 3HG1 VAL 11 17.003 -5.042 -1.618 106 HG21 VAL 11 3HG2 VAL 11 17.135 -1.667 0.533 107 HG22 VAL 11 1HG2 VAL 11 18.443 -2.261 -0.490 108 HG23 VAL 11 2HG2 VAL 11 17.298 -1.077 -1.120 109 H SER 12 H SER 12 13.727 -3.882 -0.311 110 HA SER 12 HA SER 12 13.361 -6.099 -2.023 111 HB2 SER 12 HB2 SER 12 11.584 -5.167 0.245 112 HB3 SER 12 HB3 SER 12 11.606 -6.782 -0.464 113 HG SER 12 HG SER 12 13.137 -7.218 0.890 114 H THR 13 H THR 13 12.249 -6.198 -3.845 115 HA THR 13 HA THR 13 9.701 -4.790 -4.070 116 HB THR 13 HB THR 13 10.549 -4.271 -6.547 117 HG1 THR 13 HG1 THR 13 12.754 -3.524 -6.375 118 HG21 THR 13 3HG2 THR 13 10.321 -2.776 -4.087 119 HG22 THR 13 1HG2 THR 13 9.928 -2.287 -5.735 120 HG23 THR 13 2HG2 THR 13 11.571 -2.092 -5.125 121 HA PRO 14 HA PRO 14 8.359 -8.380 -6.207 122 HB2 PRO 14 HB2 PRO 14 6.635 -7.351 -8.035 123 HB3 PRO 14 HB3 PRO 14 6.273 -7.421 -6.306 124 HG2 PRO 14 HG2 PRO 14 7.266 -5.119 -7.942 125 HG3 PRO 14 HG3 PRO 14 6.018 -5.140 -6.682 126 HD2 PRO 14 HD2 PRO 14 8.545 -4.286 -6.216 127 HD3 PRO 14 HD3 PRO 14 7.565 -5.091 -4.974 128 H THR 15 H THR 15 8.871 -9.655 -7.932 129 HA THR 15 HA THR 15 10.097 -10.353 -9.726 130 HB THR 15 HB THR 15 9.554 -9.385 -11.814 131 HG1 THR 15 HG1 THR 15 9.122 -7.271 -12.091 132 HG21 THR 15 3HG2 THR 15 7.154 -9.091 -11.716 133 HG22 THR 15 1HG2 THR 15 7.234 -8.739 -9.991 134 HG23 THR 15 2HG2 THR 15 7.632 -10.352 -10.581 135 H LEU 16 H LEU 16 11.613 -8.937 -7.823 136 HA LEU 16 HA LEU 16 13.205 -6.879 -8.781 137 HB2 LEU 16 HB2 LEU 16 14.783 -7.465 -7.089 138 HB3 LEU 16 HB3 LEU 16 13.161 -7.724 -6.451 139 HG LEU 16 HG LEU 16 14.658 -10.035 -7.605 140 HD11 LEU 16 1HD1 LEU 16 15.088 -8.885 -4.852 141 HD12 LEU 16 2HD1 LEU 16 16.287 -9.019 -6.138 142 HD13 LEU 16 3HD1 LEU 16 15.633 -10.475 -5.386 143 HD21 LEU 16 3HD2 LEU 16 12.442 -10.539 -7.019 144 HD22 LEU 16 1HD2 LEU 16 12.536 -9.613 -5.521 145 HD23 LEU 16 2HD2 LEU 16 13.413 -11.135 -5.672 Start of MODEL 13 1 H1 LEU 1 H LEU 1 2.145 0.264 1.442 2 HA LEU 1 HA LEU 1 0.507 1.687 -0.468 3 HB2 LEU 1 HB2 LEU 1 2.474 2.401 -1.816 4 HB3 LEU 1 HB3 LEU 1 2.271 3.271 -0.296 5 HG LEU 1 HG LEU 1 4.009 1.490 0.571 6 HD11 LEU 1 1HD1 LEU 1 4.307 0.099 -1.267 7 HD12 LEU 1 2HD1 LEU 1 5.699 1.178 -1.341 8 HD13 LEU 1 3HD1 LEU 1 4.321 1.445 -2.408 9 HD21 LEU 1 3HD2 LEU 1 5.822 3.070 -0.069 10 HD22 LEU 1 1HD2 LEU 1 4.408 3.853 0.636 11 HD23 LEU 1 2HD2 LEU 1 4.667 3.906 -1.108 12 H VAL 2 H VAL 2 0.591 0.766 -2.597 13 HA VAL 2 HA VAL 2 1.792 -1.927 -2.660 14 HB VAL 2 HB VAL 2 -0.114 -2.608 -4.119 15 HG11 VAL 2 1HG1 VAL 2 -1.839 -2.396 -2.121 16 HG12 VAL 2 2HG1 VAL 2 -0.425 -3.447 -2.020 17 HG13 VAL 2 3HG1 VAL 2 -0.398 -1.855 -1.260 18 HG21 VAL 2 3HG2 VAL 2 -1.861 -1.252 -4.639 19 HG22 VAL 2 1HG2 VAL 2 -1.740 -0.337 -3.136 20 HG23 VAL 2 2HG2 VAL 2 -0.622 -0.009 -4.460 21 H ARG 3 H ARG 3 2.972 0.522 -3.625 22 HA ARG 3 HA ARG 3 2.755 0.314 -6.532 23 HB2 ARG 3 HB2 ARG 3 3.849 2.339 -4.634 24 HB3 ARG 3 HB3 ARG 3 4.533 2.265 -6.252 25 HG2 ARG 3 HG2 ARG 3 1.576 2.462 -5.811 26 HG3 ARG 3 HG3 ARG 3 2.611 3.891 -5.835 27 HD2 ARG 3 HD2 ARG 3 3.385 3.297 -8.075 28 HD3 ARG 3 HD3 ARG 3 2.369 1.856 -8.048 29 HE ARG 3 HE ARG 3 1.538 4.544 -8.586 30 HH11 ARG 3 1HH1 ARG 3 0.516 1.445 -7.374 31 HH12 ARG 3 2HH1 ARG 3 -1.156 1.704 -7.748 32 HH21 ARG 3 1HH2 ARG 3 -0.659 4.898 -9.083 33 HH22 ARG 3 2HH2 ARG 3 -1.823 3.668 -8.721 34 H TYR 4 H TYR 4 5.178 0.053 -3.956 35 HA TYR 4 HA TYR 4 7.036 -1.154 -5.887 36 HB2 TYR 4 HB2 TYR 4 7.695 -0.211 -3.097 37 HB3 TYR 4 HB3 TYR 4 8.817 -0.589 -4.399 38 HD1 TYR 4 HD2 TYR 4 8.769 0.906 -6.476 39 HD2 TYR 4 HD1 TYR 4 6.912 1.975 -2.800 40 HE1 TYR 4 HE2 TYR 4 8.765 3.265 -7.171 41 HE2 TYR 4 HE1 TYR 4 6.902 4.337 -3.485 42 HH TYR 4 HH TYR 4 7.026 5.687 -5.441 43 H THR 5 H THR 5 6.417 -1.530 -2.396 44 HA THR 5 HA THR 5 5.985 -4.387 -2.765 45 HB THR 5 HB THR 5 8.444 -4.118 -2.439 46 HG1 THR 5 HG1 THR 5 7.102 -5.384 -0.263 47 HG21 THR 5 3HG2 THR 5 7.719 -2.231 -0.555 48 HG22 THR 5 1HG2 THR 5 9.333 -2.900 -0.783 49 HG23 THR 5 2HG2 THR 5 8.250 -3.600 0.420 50 H LYS 6 H LYS 6 5.084 -5.431 -0.895 51 HA LYS 6 HA LYS 6 3.074 -4.029 0.377 52 HB2 LYS 6 HB2 LYS 6 4.473 -6.507 1.400 53 HB3 LYS 6 HB3 LYS 6 2.880 -5.946 1.892 54 HG2 LYS 6 HG2 LYS 6 3.574 -6.697 -0.936 55 HG3 LYS 6 HG3 LYS 6 2.892 -7.823 0.239 56 HD2 LYS 6 HD2 LYS 6 1.607 -5.220 -0.582 57 HD3 LYS 6 HD3 LYS 6 1.197 -6.796 -1.263 58 HE2 LYS 6 HE2 LYS 6 0.635 -7.567 1.038 59 HE3 LYS 6 HE3 LYS 6 0.898 -5.919 1.607 60 HZ1 LYS 6 HZ1 LYS 6 -1.369 -6.005 1.255 61 HZ2 LYS 6 HZ2 LYS 6 -1.239 -6.951 -0.141 62 HZ3 LYS 6 HZ3 LYS 6 -0.818 -5.314 -0.187 63 H LYS 7 H LYS 7 6.381 -4.615 1.435 64 HA LYS 7 HA LYS 7 5.898 -3.196 3.940 65 HB2 LYS 7 HB2 LYS 7 7.522 -5.329 3.292 66 HB3 LYS 7 HB3 LYS 7 8.656 -3.987 3.359 67 HG2 LYS 7 HG2 LYS 7 8.740 -4.448 5.543 68 HG3 LYS 7 HG3 LYS 7 7.208 -3.575 5.621 69 HD2 LYS 7 HD2 LYS 7 7.426 -6.548 5.168 70 HD3 LYS 7 HD3 LYS 7 7.206 -5.810 6.757 71 HE2 LYS 7 HE2 LYS 7 5.104 -4.852 6.067 72 HE3 LYS 7 HE3 LYS 7 5.344 -5.419 4.416 73 HZ1 LYS 7 HZ1 LYS 7 5.503 -7.528 6.348 74 HZ2 LYS 7 HZ2 LYS 7 4.576 -7.427 4.937 75 HZ3 LYS 7 HZ3 LYS 7 4.004 -6.744 6.375 76 H VAL 8 H VAL 8 8.246 -1.947 4.429 77 HA VAL 8 HA VAL 8 7.995 0.518 3.201 78 HB VAL 8 HB VAL 8 9.211 0.245 5.290 79 HG11 VAL 8 1HG1 VAL 8 10.284 -1.917 4.689 80 HG12 VAL 8 2HG1 VAL 8 11.418 -1.024 3.673 81 HG13 VAL 8 3HG1 VAL 8 11.391 -0.752 5.416 82 HG21 VAL 8 3HG2 VAL 8 11.192 1.659 4.761 83 HG22 VAL 8 1HG2 VAL 8 10.864 1.397 3.048 84 HG23 VAL 8 2HG2 VAL 8 9.688 2.245 4.052 85 HA PRO 9 HA PRO 9 9.732 -0.119 -0.817 86 HB2 PRO 9 HB2 PRO 9 9.971 2.494 -1.511 87 HB3 PRO 9 HB3 PRO 9 8.421 1.645 -1.484 88 HG2 PRO 9 HG2 PRO 9 9.614 3.476 0.563 89 HG3 PRO 9 HG3 PRO 9 7.947 3.402 -0.036 90 HD2 PRO 9 HD2 PRO 9 8.698 2.304 2.323 91 HD3 PRO 9 HD3 PRO 9 7.407 1.615 1.317 92 H GLN 10 H GLN 10 11.778 -0.751 -1.074 93 HA GLN 10 HA GLN 10 13.924 1.150 -0.467 94 HB2 GLN 10 HB2 GLN 10 13.409 -1.031 1.150 95 HB3 GLN 10 HB3 GLN 10 14.678 -1.618 0.083 96 HG2 GLN 10 HG2 GLN 10 16.237 -0.186 0.912 97 HG3 GLN 10 HG3 GLN 10 15.047 1.045 1.331 98 HE21 GLN 10 1HE2 GLN 10 14.075 1.000 3.315 99 HE22 GLN 10 2HE2 GLN 10 14.561 -0.064 4.587 100 H VAL 11 H VAL 11 16.093 -0.311 -1.183 101 HA VAL 11 HA VAL 11 16.087 -0.174 -3.971 102 HB VAL 11 HB VAL 11 17.969 -1.784 -2.240 103 HG11 VAL 11 1HG1 VAL 11 19.563 -1.310 -4.128 104 HG12 VAL 11 2HG1 VAL 11 18.255 -2.431 -4.509 105 HG13 VAL 11 3HG1 VAL 11 18.174 -0.758 -5.063 106 HG21 VAL 11 3HG2 VAL 11 19.314 0.478 -2.846 107 HG22 VAL 11 1HG2 VAL 11 17.670 1.106 -2.719 108 HG23 VAL 11 2HG2 VAL 11 18.394 0.248 -1.358 109 H SER 12 H SER 12 15.215 -2.760 -1.827 110 HA SER 12 HA SER 12 15.172 -4.703 -4.010 111 HB2 SER 12 HB2 SER 12 14.344 -6.201 -2.015 112 HB3 SER 12 HB3 SER 12 16.047 -5.761 -2.140 113 HG SER 12 HG SER 12 15.791 -4.279 -0.547 114 H THR 13 H THR 13 13.336 -5.561 -4.859 115 HA THR 13 HA THR 13 10.749 -4.930 -3.686 116 HB THR 13 HB THR 13 10.098 -4.301 -6.216 117 HG1 THR 13 HG1 THR 13 11.728 -3.017 -7.111 118 HG21 THR 13 3HG2 THR 13 9.341 -2.632 -4.934 119 HG22 THR 13 1HG2 THR 13 10.890 -1.839 -5.219 120 HG23 THR 13 2HG2 THR 13 10.657 -2.827 -3.776 121 HA PRO 14 HA PRO 14 9.569 -8.840 -5.294 122 HB2 PRO 14 HB2 PRO 14 6.957 -8.441 -5.918 123 HB3 PRO 14 HB3 PRO 14 7.542 -8.546 -4.253 124 HG2 PRO 14 HG2 PRO 14 6.906 -6.120 -5.889 125 HG3 PRO 14 HG3 PRO 14 6.516 -6.459 -4.193 126 HD2 PRO 14 HD2 PRO 14 8.589 -4.878 -4.923 127 HD3 PRO 14 HD3 PRO 14 8.626 -5.886 -3.462 128 H THR 15 H THR 15 8.669 -9.975 -7.198 129 HA THR 15 HA THR 15 8.824 -10.429 -9.430 130 HB THR 15 HB THR 15 7.499 -9.100 -10.869 131 HG1 THR 15 HG1 THR 15 7.859 -7.019 -10.814 132 HG21 THR 15 3HG2 THR 15 5.479 -8.677 -9.587 133 HG22 THR 15 1HG2 THR 15 6.405 -8.667 -8.086 134 HG23 THR 15 2HG2 THR 15 6.251 -10.157 -9.018 135 H LEU 16 H LEU 16 11.229 -9.520 -8.381 136 HA LEU 16 HA LEU 16 12.300 -7.875 -10.578 137 HB2 LEU 16 HB2 LEU 16 12.373 -7.025 -8.140 138 HB3 LEU 16 HB3 LEU 16 13.657 -8.214 -7.929 139 HG LEU 16 HG LEU 16 14.771 -7.017 -9.936 140 HD11 LEU 16 1HD1 LEU 16 14.203 -4.576 -9.957 141 HD12 LEU 16 2HD1 LEU 16 12.746 -4.975 -9.048 142 HD13 LEU 16 3HD1 LEU 16 12.982 -5.633 -10.667 143 HD21 LEU 16 3HD2 LEU 16 14.566 -5.600 -7.282 144 HD22 LEU 16 1HD2 LEU 16 15.892 -5.494 -8.440 145 HD23 LEU 16 2HD2 LEU 16 15.575 -7.012 -7.598 Start of MODEL 14 1 H1 LEU 1 H LEU 1 2.512 -0.570 1.660 2 HA LEU 1 HA LEU 1 2.491 1.165 -0.719 3 HB2 LEU 1 HB2 LEU 1 4.521 0.715 1.080 4 HB3 LEU 1 HB3 LEU 1 4.918 -0.383 -0.240 5 HG LEU 1 HG LEU 1 6.108 1.638 -0.611 6 HD11 LEU 1 1HD1 LEU 1 3.685 1.717 -2.399 7 HD12 LEU 1 2HD1 LEU 1 5.022 0.581 -2.576 8 HD13 LEU 1 3HD1 LEU 1 5.304 2.311 -2.767 9 HD21 LEU 1 3HD2 LEU 1 5.389 3.671 -0.042 10 HD22 LEU 1 1HD2 LEU 1 4.031 2.858 0.735 11 HD23 LEU 1 2HD2 LEU 1 3.869 3.465 -0.913 12 H VAL 2 H VAL 2 1.845 0.231 -2.533 13 HA VAL 2 HA VAL 2 2.252 -2.673 -2.847 14 HB VAL 2 HB VAL 2 -0.137 -2.023 -2.636 15 HG11 VAL 2 1HG1 VAL 2 -1.232 -0.743 -4.339 16 HG12 VAL 2 2HG1 VAL 2 0.125 0.204 -3.726 17 HG13 VAL 2 3HG1 VAL 2 0.256 -0.626 -5.277 18 HG21 VAL 2 3HG2 VAL 2 -0.067 -2.882 -5.427 19 HG22 VAL 2 1HG2 VAL 2 1.020 -3.792 -4.377 20 HG23 VAL 2 2HG2 VAL 2 -0.701 -3.706 -4.002 21 H ARG 3 H ARG 3 2.982 0.404 -4.035 22 HA ARG 3 HA ARG 3 3.208 -0.076 -6.796 23 HB2 ARG 3 HB2 ARG 3 4.386 1.901 -4.893 24 HB3 ARG 3 HB3 ARG 3 5.067 1.782 -6.510 25 HG2 ARG 3 HG2 ARG 3 3.415 3.524 -6.459 26 HG3 ARG 3 HG3 ARG 3 2.824 2.189 -7.450 27 HD2 ARG 3 HD2 ARG 3 1.183 1.638 -5.972 28 HD3 ARG 3 HD3 ARG 3 2.120 2.161 -4.572 29 HE ARG 3 HE ARG 3 0.265 3.727 -6.089 30 HH11 ARG 3 1HH1 ARG 3 3.119 3.855 -4.100 31 HH12 ARG 3 2HH1 ARG 3 2.854 5.491 -3.597 32 HH21 ARG 3 1HH2 ARG 3 -0.095 5.882 -5.434 33 HH22 ARG 3 2HH2 ARG 3 1.025 6.643 -4.356 34 H TYR 4 H TYR 4 5.938 0.241 -4.526 35 HA TYR 4 HA TYR 4 7.650 -1.269 -6.276 36 HB2 TYR 4 HB2 TYR 4 8.284 -0.445 -3.446 37 HB3 TYR 4 HB3 TYR 4 9.406 -0.744 -4.768 38 HD1 TYR 4 HD2 TYR 4 9.707 0.920 -6.543 39 HD2 TYR 4 HD1 TYR 4 7.138 1.665 -3.235 40 HE1 TYR 4 HE2 TYR 4 9.695 3.316 -7.099 41 HE2 TYR 4 HE1 TYR 4 7.118 4.063 -3.782 42 HH TYR 4 HH TYR 4 8.189 5.683 -4.996 43 H THR 5 H THR 5 6.960 -1.719 -2.807 44 HA THR 5 HA THR 5 6.531 -4.572 -3.272 45 HB THR 5 HB THR 5 8.959 -4.280 -2.765 46 HG1 THR 5 HG1 THR 5 7.423 -6.091 -1.968 47 HG21 THR 5 3HG2 THR 5 9.738 -3.441 -0.740 48 HG22 THR 5 1HG2 THR 5 8.170 -3.609 0.048 49 HG23 THR 5 2HG2 THR 5 8.428 -2.331 -1.139 50 H LYS 6 H LYS 6 5.462 -5.651 -1.538 51 HA LYS 6 HA LYS 6 3.381 -4.272 -0.361 52 HB2 LYS 6 HB2 LYS 6 4.658 -6.919 0.122 53 HB3 LYS 6 HB3 LYS 6 3.531 -6.324 1.334 54 HG2 LYS 6 HG2 LYS 6 2.640 -6.202 -1.481 55 HG3 LYS 6 HG3 LYS 6 2.781 -7.804 -0.752 56 HD2 LYS 6 HD2 LYS 6 0.550 -7.061 -0.385 57 HD3 LYS 6 HD3 LYS 6 1.394 -6.944 1.160 58 HE2 LYS 6 HE2 LYS 6 0.027 -4.969 0.773 59 HE3 LYS 6 HE3 LYS 6 1.740 -4.549 0.783 60 HZ1 LYS 6 HZ1 LYS 6 0.148 -5.005 -1.680 61 HZ2 LYS 6 HZ2 LYS 6 1.739 -4.438 -1.592 62 HZ3 LYS 6 HZ3 LYS 6 0.467 -3.479 -1.022 63 H LYS 7 H LYS 7 6.644 -4.723 0.777 64 HA LYS 7 HA LYS 7 6.007 -3.596 3.392 65 HB2 LYS 7 HB2 LYS 7 8.653 -4.548 2.279 66 HB3 LYS 7 HB3 LYS 7 8.346 -4.077 3.945 67 HG2 LYS 7 HG2 LYS 7 6.481 -6.100 3.115 68 HG3 LYS 7 HG3 LYS 7 8.142 -6.627 2.833 69 HD2 LYS 7 HD2 LYS 7 7.516 -7.298 5.044 70 HD3 LYS 7 HD3 LYS 7 8.670 -5.969 5.184 71 HE2 LYS 7 HE2 LYS 7 6.876 -5.626 6.753 72 HE3 LYS 7 HE3 LYS 7 6.770 -4.410 5.482 73 HZ1 LYS 7 HZ1 LYS 7 4.852 -5.272 4.689 74 HZ2 LYS 7 HZ2 LYS 7 4.687 -5.804 6.286 75 HZ3 LYS 7 HZ3 LYS 7 5.247 -6.866 5.094 76 H VAL 8 H VAL 8 8.063 -2.096 4.100 77 HA VAL 8 HA VAL 8 7.602 0.400 3.023 78 HB VAL 8 HB VAL 8 8.717 0.114 5.165 79 HG11 VAL 8 1HG1 VAL 8 11.410 -0.325 4.338 80 HG12 VAL 8 2HG1 VAL 8 10.417 -1.287 5.436 81 HG13 VAL 8 3HG1 VAL 8 10.400 -1.625 3.705 82 HG21 VAL 8 3HG2 VAL 8 9.018 2.245 4.106 83 HG22 VAL 8 1HG2 VAL 8 10.541 1.786 4.869 84 HG23 VAL 8 2HG2 VAL 8 10.344 1.623 3.124 85 HA PRO 9 HA PRO 9 9.639 0.286 -0.902 86 HB2 PRO 9 HB2 PRO 9 9.598 2.956 -1.393 87 HB3 PRO 9 HB3 PRO 9 8.164 1.932 -1.531 88 HG2 PRO 9 HG2 PRO 9 9.002 3.724 0.715 89 HG3 PRO 9 HG3 PRO 9 7.394 3.502 0.001 90 HD2 PRO 9 HD2 PRO 9 8.133 2.320 2.322 91 HD3 PRO 9 HD3 PRO 9 6.997 1.565 1.185 92 H GLN 10 H GLN 10 11.752 -0.279 -0.653 93 HA GLN 10 HA GLN 10 13.638 1.902 -0.131 94 HB2 GLN 10 HB2 GLN 10 13.142 -0.176 1.686 95 HB3 GLN 10 HB3 GLN 10 14.660 -0.595 0.905 96 HG2 GLN 10 HG2 GLN 10 15.763 1.210 1.761 97 HG3 GLN 10 HG3 GLN 10 14.300 2.184 1.887 98 HE21 GLN 10 1HE2 GLN 10 14.110 2.717 3.948 99 HE22 GLN 10 2HE2 GLN 10 14.192 1.626 5.285 100 H VAL 11 H VAL 11 15.995 0.582 -0.391 101 HA VAL 11 HA VAL 11 16.350 0.365 -3.133 102 HB VAL 11 HB VAL 11 18.518 -0.710 -2.633 103 HG11 VAL 11 1HG1 VAL 11 19.497 1.170 -1.657 104 HG12 VAL 11 2HG1 VAL 11 18.010 1.795 -2.374 105 HG13 VAL 11 3HG1 VAL 11 18.093 1.488 -0.639 106 HG21 VAL 11 3HG2 VAL 11 19.063 -0.867 -0.122 107 HG22 VAL 11 1HG2 VAL 11 17.315 -0.924 0.104 108 HG23 VAL 11 2HG2 VAL 11 18.121 -2.166 -0.854 109 H SER 12 H SER 12 15.492 -2.085 -0.780 110 HA SER 12 HA SER 12 15.817 -4.259 -2.658 111 HB2 SER 12 HB2 SER 12 14.408 -4.411 0.005 112 HB3 SER 12 HB3 SER 12 15.226 -5.703 -0.874 113 HG SER 12 HG SER 12 17.112 -5.016 -0.163 114 H THR 13 H THR 13 14.210 -5.391 -3.683 115 HA THR 13 HA THR 13 11.433 -4.956 -3.199 116 HB THR 13 HB THR 13 11.283 -4.165 -5.786 117 HG1 THR 13 HG1 THR 13 12.846 -2.530 -6.087 118 HG21 THR 13 3HG2 THR 13 10.830 -3.032 -3.213 119 HG22 THR 13 1HG2 THR 13 10.043 -2.639 -4.741 120 HG23 THR 13 2HG2 THR 13 11.507 -1.783 -4.258 121 HA PRO 14 HA PRO 14 11.088 -8.792 -5.303 122 HB2 PRO 14 HB2 PRO 14 8.627 -8.609 -6.434 123 HB3 PRO 14 HB3 PRO 14 8.872 -8.814 -4.696 124 HG2 PRO 14 HG2 PRO 14 8.288 -6.320 -6.245 125 HG3 PRO 14 HG3 PRO 14 7.608 -6.862 -4.699 126 HD2 PRO 14 HD2 PRO 14 9.576 -5.009 -4.856 127 HD3 PRO 14 HD3 PRO 14 9.441 -6.145 -3.499 128 H THR 15 H THR 15 10.416 -9.763 -7.502 129 HA THR 15 HA THR 15 11.338 -7.977 -9.659 130 HB THR 15 HB THR 15 12.164 -10.141 -10.756 131 HG1 THR 15 HG1 THR 15 12.522 -11.866 -9.379 132 HG21 THR 15 3HG2 THR 15 14.153 -10.148 -8.930 133 HG22 THR 15 1HG2 THR 15 13.374 -8.616 -8.538 134 HG23 THR 15 2HG2 THR 15 13.970 -8.910 -10.172 135 H LEU 16 H LEU 16 9.076 -7.493 -10.031 136 HA LEU 16 HA LEU 16 7.497 -9.692 -11.152 137 HB2 LEU 16 HB2 LEU 16 6.628 -7.996 -9.413 138 HB3 LEU 16 HB3 LEU 16 6.530 -6.880 -10.774 139 HG LEU 16 HG LEU 16 5.162 -9.542 -10.895 140 HD11 LEU 16 1HD1 LEU 16 4.093 -7.039 -9.600 141 HD12 LEU 16 2HD1 LEU 16 4.409 -8.583 -8.810 142 HD13 LEU 16 3HD1 LEU 16 3.132 -8.457 -10.019 143 HD21 LEU 16 3HD2 LEU 16 4.938 -8.611 -12.953 144 HD22 LEU 16 1HD2 LEU 16 5.101 -6.962 -12.349 145 HD23 LEU 16 2HD2 LEU 16 3.571 -7.821 -12.165 Start of MODEL 15 1 H1 LEU 1 H LEU 1 2.484 -0.120 1.471 2 HA LEU 1 HA LEU 1 0.782 1.771 0.106 3 HB2 LEU 1 HB2 LEU 1 2.742 3.035 -0.815 4 HB3 LEU 1 HB3 LEU 1 2.367 3.341 0.879 5 HG LEU 1 HG LEU 1 4.232 1.458 1.205 6 HD11 LEU 1 1HD1 LEU 1 4.468 2.293 -1.570 7 HD12 LEU 1 2HD1 LEU 1 5.205 0.930 -0.729 8 HD13 LEU 1 3HD1 LEU 1 5.958 2.523 -0.653 9 HD21 LEU 1 3HD2 LEU 1 5.855 3.588 1.037 10 HD22 LEU 1 1HD2 LEU 1 4.716 3.339 2.360 11 HD23 LEU 1 2HD2 LEU 1 4.291 4.404 1.021 12 H VAL 2 H VAL 2 0.401 1.081 -1.902 13 HA VAL 2 HA VAL 2 2.028 -1.120 -2.937 14 HB VAL 2 HB VAL 2 -0.607 -0.092 -3.995 15 HG11 VAL 2 1HG1 VAL 2 1.289 -2.081 -4.897 16 HG12 VAL 2 2HG1 VAL 2 -0.303 -2.785 -4.605 17 HG13 VAL 2 3HG1 VAL 2 -0.129 -1.424 -5.714 18 HG21 VAL 2 3HG2 VAL 2 -1.253 -2.429 -2.858 19 HG22 VAL 2 1HG2 VAL 2 0.044 -1.929 -1.771 20 HG23 VAL 2 2HG2 VAL 2 -1.359 -0.886 -2.009 21 H ARG 3 H ARG 3 3.707 0.638 -3.341 22 HA ARG 3 HA ARG 3 3.215 1.921 -5.947 23 HB2 ARG 3 HB2 ARG 3 4.731 2.773 -3.533 24 HB3 ARG 3 HB3 ARG 3 5.384 3.229 -5.101 25 HG2 ARG 3 HG2 ARG 3 3.557 4.560 -5.618 26 HG3 ARG 3 HG3 ARG 3 2.520 3.765 -4.432 27 HD2 ARG 3 HD2 ARG 3 2.971 5.721 -3.332 28 HD3 ARG 3 HD3 ARG 3 4.291 4.715 -2.736 29 HE ARG 3 HE ARG 3 5.751 6.123 -3.772 30 HH11 ARG 3 1HH1 ARG 3 2.621 6.489 -5.252 31 HH12 ARG 3 2HH1 ARG 3 3.112 7.799 -6.273 32 HH21 ARG 3 1HH2 ARG 3 6.409 7.848 -5.111 33 HH22 ARG 3 2HH2 ARG 3 5.268 8.571 -6.193 34 H TYR 4 H TYR 4 5.591 0.153 -4.010 35 HA TYR 4 HA TYR 4 6.836 -0.754 -6.514 36 HB2 TYR 4 HB2 TYR 4 8.450 -0.193 -4.032 37 HB3 TYR 4 HB3 TYR 4 9.028 -0.462 -5.673 38 HD1 TYR 4 HD2 TYR 4 7.547 1.968 -3.366 39 HD2 TYR 4 HD1 TYR 4 8.985 1.320 -7.317 40 HE1 TYR 4 HE2 TYR 4 7.577 4.397 -3.746 41 HE2 TYR 4 HE1 TYR 4 9.020 3.748 -7.709 42 HH TYR 4 HH TYR 4 8.576 6.027 -5.157 43 H THR 5 H THR 5 7.262 -1.362 -3.027 44 HA THR 5 HA THR 5 6.950 -4.237 -3.589 45 HB THR 5 HB THR 5 8.384 -4.743 -1.773 46 HG1 THR 5 HG1 THR 5 8.821 -3.358 -0.168 47 HG21 THR 5 3HG2 THR 5 9.290 -3.380 -3.938 48 HG22 THR 5 1HG2 THR 5 10.333 -4.095 -2.710 49 HG23 THR 5 2HG2 THR 5 9.921 -2.383 -2.628 50 H LYS 6 H LYS 6 5.875 -5.539 -1.993 51 HA LYS 6 HA LYS 6 3.423 -4.529 -1.144 52 HB2 LYS 6 HB2 LYS 6 4.051 -6.954 -1.491 53 HB3 LYS 6 HB3 LYS 6 4.835 -6.898 0.083 54 HG2 LYS 6 HG2 LYS 6 2.775 -7.778 0.600 55 HG3 LYS 6 HG3 LYS 6 2.527 -6.060 0.919 56 HD2 LYS 6 HD2 LYS 6 1.946 -7.043 -1.820 57 HD3 LYS 6 HD3 LYS 6 0.826 -7.502 -0.536 58 HE2 LYS 6 HE2 LYS 6 1.020 -4.920 0.036 59 HE3 LYS 6 HE3 LYS 6 1.429 -4.825 -1.677 60 HZ1 LYS 6 HZ1 LYS 6 -0.889 -6.443 -1.050 61 HZ2 LYS 6 HZ2 LYS 6 -0.659 -5.314 -2.287 62 HZ3 LYS 6 HZ3 LYS 6 -1.068 -4.791 -0.731 63 H LYS 7 H LYS 7 6.524 -4.427 0.369 64 HA LYS 7 HA LYS 7 5.303 -3.421 2.853 65 HB2 LYS 7 HB2 LYS 7 7.170 -5.414 2.563 66 HB3 LYS 7 HB3 LYS 7 8.176 -4.015 2.915 67 HG2 LYS 7 HG2 LYS 7 7.765 -4.878 5.011 68 HG3 LYS 7 HG3 LYS 7 6.530 -3.624 4.872 69 HD2 LYS 7 HD2 LYS 7 5.470 -5.562 5.761 70 HD3 LYS 7 HD3 LYS 7 4.948 -5.408 4.082 71 HE2 LYS 7 HE2 LYS 7 6.209 -7.215 3.388 72 HE3 LYS 7 HE3 LYS 7 7.331 -7.084 4.741 73 HZ1 LYS 7 HZ1 LYS 7 5.034 -8.687 4.521 74 HZ2 LYS 7 HZ2 LYS 7 4.803 -7.596 5.792 75 HZ3 LYS 7 HZ3 LYS 7 6.152 -8.616 5.790 76 H VAL 8 H VAL 8 7.439 -2.094 3.935 77 HA VAL 8 HA VAL 8 7.273 0.445 2.899 78 HB VAL 8 HB VAL 8 8.174 0.022 5.117 79 HG11 VAL 8 1HG1 VAL 8 10.891 -0.591 4.511 80 HG12 VAL 8 2HG1 VAL 8 9.739 -1.507 5.485 81 HG13 VAL 8 3HG1 VAL 8 9.852 -1.795 3.748 82 HG21 VAL 8 3HG2 VAL 8 8.717 2.153 4.165 83 HG22 VAL 8 1HG2 VAL 8 10.136 1.560 5.028 84 HG23 VAL 8 2HG2 VAL 8 10.071 1.464 3.269 85 HA PRO 9 HA PRO 9 9.631 0.296 -0.840 86 HB2 PRO 9 HB2 PRO 9 9.825 2.974 -1.237 87 HB3 PRO 9 HB3 PRO 9 8.339 2.065 -1.533 88 HG2 PRO 9 HG2 PRO 9 9.105 3.723 0.839 89 HG3 PRO 9 HG3 PRO 9 7.554 3.643 -0.016 90 HD2 PRO 9 HD2 PRO 9 8.001 2.342 2.316 91 HD3 PRO 9 HD3 PRO 9 6.917 1.707 1.061 92 H GLN 10 H GLN 10 11.736 -0.135 -0.952 93 HA GLN 10 HA GLN 10 13.631 1.703 0.335 94 HB2 GLN 10 HB2 GLN 10 13.968 -1.296 0.358 95 HB3 GLN 10 HB3 GLN 10 14.960 -0.101 1.184 96 HG2 GLN 10 HG2 GLN 10 12.835 0.511 2.462 97 HG3 GLN 10 HG3 GLN 10 12.181 -1.003 1.840 98 HE21 GLN 10 1HE2 GLN 10 13.331 -2.967 2.361 99 HE22 GLN 10 2HE2 GLN 10 14.210 -3.070 3.845 100 H VAL 11 H VAL 11 15.981 0.510 -0.388 101 HA VAL 11 HA VAL 11 16.112 1.164 -3.180 102 HB VAL 11 HB VAL 11 18.537 0.574 -2.943 103 HG11 VAL 11 1HG1 VAL 11 18.879 2.411 -1.081 104 HG12 VAL 11 2HG1 VAL 11 18.226 2.824 -2.668 105 HG13 VAL 11 3HG1 VAL 11 17.141 2.618 -1.293 106 HG21 VAL 11 3HG2 VAL 11 18.468 0.539 -0.036 107 HG22 VAL 11 1HG2 VAL 11 17.682 -0.867 -0.754 108 HG23 VAL 11 2HG2 VAL 11 19.357 -0.490 -1.158 109 H SER 12 H SER 12 14.446 -0.775 -3.383 110 HA SER 12 HA SER 12 15.656 -2.723 -4.976 111 HB2 SER 12 HB2 SER 12 15.046 -4.715 -3.412 112 HB3 SER 12 HB3 SER 12 16.567 -3.861 -3.149 113 HG SER 12 HG SER 12 15.844 -3.574 -1.203 114 H THR 13 H THR 13 14.022 -4.726 -5.174 115 HA THR 13 HA THR 13 11.278 -4.187 -4.657 116 HB THR 13 HB THR 13 10.953 -4.206 -7.361 117 HG1 THR 13 HG1 THR 13 12.580 -3.249 -8.327 118 HG21 THR 13 3HG2 THR 13 9.684 -2.485 -6.743 119 HG22 THR 13 1HG2 THR 13 11.120 -1.478 -6.569 120 HG23 THR 13 2HG2 THR 13 10.529 -2.415 -5.197 121 HA PRO 14 HA PRO 14 10.919 -8.477 -5.510 122 HB2 PRO 14 HB2 PRO 14 8.378 -8.665 -6.448 123 HB3 PRO 14 HB3 PRO 14 8.754 -8.345 -4.750 124 HG2 PRO 14 HG2 PRO 14 7.974 -6.426 -6.912 125 HG3 PRO 14 HG3 PRO 14 7.426 -6.497 -5.227 126 HD2 PRO 14 HD2 PRO 14 9.313 -4.749 -6.074 127 HD3 PRO 14 HD3 PRO 14 9.314 -5.436 -4.437 128 H THR 15 H THR 15 10.558 -10.094 -7.193 129 HA THR 15 HA THR 15 10.827 -8.996 -9.915 130 HB THR 15 HB THR 15 12.175 -11.549 -9.070 131 HG1 THR 15 HG1 THR 15 13.323 -10.237 -7.818 132 HG21 THR 15 3HG2 THR 15 13.647 -10.170 -11.004 133 HG22 THR 15 1HG2 THR 15 11.962 -9.983 -11.486 134 HG23 THR 15 2HG2 THR 15 12.639 -11.594 -11.252 135 H LEU 16 H LEU 16 8.409 -9.870 -8.634 136 HA LEU 16 HA LEU 16 7.713 -12.508 -9.346 137 HB2 LEU 16 HB2 LEU 16 6.234 -10.044 -8.592 138 HB3 LEU 16 HB3 LEU 16 5.327 -11.352 -9.349 139 HG LEU 16 HG LEU 16 5.210 -11.377 -6.882 140 HD11 LEU 16 1HD1 LEU 16 5.056 -13.611 -6.882 141 HD12 LEU 16 2HD1 LEU 16 6.727 -13.828 -7.401 142 HD13 LEU 16 3HD1 LEU 16 5.473 -13.476 -8.590 143 HD21 LEU 16 3HD2 LEU 16 7.630 -10.539 -6.677 144 HD22 LEU 16 1HD2 LEU 16 8.084 -12.233 -6.867 145 HD23 LEU 16 2HD2 LEU 16 7.063 -11.740 -5.515 Start of MODEL 16 1 H1 LEU 1 H LEU 1 3.682 2.769 1.757 2 HA LEU 1 HA LEU 1 3.077 3.617 -0.647 3 HB2 LEU 1 HB2 LEU 1 5.200 2.575 -0.209 4 HB3 LEU 1 HB3 LEU 1 4.443 0.988 -0.099 5 HG LEU 1 HG LEU 1 3.758 1.694 -2.621 6 HD11 LEU 1 1HD1 LEU 1 6.234 3.185 -1.898 7 HD12 LEU 1 2HD1 LEU 1 4.900 3.655 -2.950 8 HD13 LEU 1 3HD1 LEU 1 6.091 2.481 -3.509 9 HD21 LEU 1 3HD2 LEU 1 5.760 0.009 -1.345 10 HD22 LEU 1 1HD2 LEU 1 6.204 0.490 -2.982 11 HD23 LEU 1 2HD2 LEU 1 4.675 -0.340 -2.692 12 H VAL 2 H VAL 2 2.678 0.106 -0.239 13 HA VAL 2 HA VAL 2 1.217 -1.368 -1.183 14 HB VAL 2 HB VAL 2 -0.806 0.854 -0.901 15 HG11 VAL 2 1HG1 VAL 2 -2.133 -1.383 -0.294 16 HG12 VAL 2 2HG1 VAL 2 -1.998 -0.771 -1.944 17 HG13 VAL 2 3HG1 VAL 2 -0.931 -2.062 -1.391 18 HG21 VAL 2 3HG2 VAL 2 -0.028 0.812 1.247 19 HG22 VAL 2 1HG2 VAL 2 -1.192 -0.510 1.331 20 HG23 VAL 2 2HG2 VAL 2 0.525 -0.859 1.133 21 H ARG 3 H ARG 3 2.620 -0.721 -3.167 22 HA ARG 3 HA ARG 3 0.792 -0.408 -5.381 23 HB2 ARG 3 HB2 ARG 3 2.890 1.644 -4.738 24 HB3 ARG 3 HB3 ARG 3 2.384 1.365 -6.399 25 HG2 ARG 3 HG2 ARG 3 -0.007 1.719 -5.470 26 HG3 ARG 3 HG3 ARG 3 0.823 2.477 -4.110 27 HD2 ARG 3 HD2 ARG 3 1.814 4.113 -5.516 28 HD3 ARG 3 HD3 ARG 3 1.322 3.252 -6.974 29 HE ARG 3 HE ARG 3 -0.745 4.225 -6.812 30 HH11 ARG 3 1HH1 ARG 3 0.951 4.624 -3.798 31 HH12 ARG 3 2HH1 ARG 3 -0.229 5.700 -3.126 32 HH21 ARG 3 1HH2 ARG 3 -2.306 5.641 -5.938 33 HH22 ARG 3 2HH2 ARG 3 -2.082 6.277 -4.344 34 H TYR 4 H TYR 4 4.272 -0.336 -4.600 35 HA TYR 4 HA TYR 4 4.782 -2.106 -6.874 36 HB2 TYR 4 HB2 TYR 4 6.854 -0.833 -5.091 37 HB3 TYR 4 HB3 TYR 4 7.066 -1.470 -6.718 38 HD1 TYR 4 HD2 TYR 4 5.227 -0.283 -8.417 39 HD2 TYR 4 HD1 TYR 4 7.007 1.456 -4.966 40 HE1 TYR 4 HE2 TYR 4 4.831 1.958 -9.349 41 HE2 TYR 4 HE1 TYR 4 6.615 3.702 -5.888 42 HH TYR 4 HH TYR 4 6.277 4.748 -8.107 43 H THR 5 H THR 5 6.151 -1.858 -3.591 44 HA THR 5 HA THR 5 6.200 -4.797 -3.483 45 HB THR 5 HB THR 5 7.729 -2.961 -1.646 46 HG1 THR 5 HG1 THR 5 8.621 -2.428 -3.556 47 HG21 THR 5 3HG2 THR 5 9.218 -5.191 -1.958 48 HG22 THR 5 1HG2 THR 5 7.602 -5.863 -2.171 49 HG23 THR 5 2HG2 THR 5 8.008 -4.994 -0.691 50 H LYS 6 H LYS 6 5.716 -5.832 -1.442 51 HA LYS 6 HA LYS 6 3.284 -5.056 -0.334 52 HB2 LYS 6 HB2 LYS 6 5.345 -7.077 0.267 53 HB3 LYS 6 HB3 LYS 6 4.334 -6.623 1.632 54 HG2 LYS 6 HG2 LYS 6 3.191 -7.452 -1.018 55 HG3 LYS 6 HG3 LYS 6 3.570 -8.604 0.265 56 HD2 LYS 6 HD2 LYS 6 1.763 -8.030 1.462 57 HD3 LYS 6 HD3 LYS 6 2.016 -6.306 1.182 58 HE2 LYS 6 HE2 LYS 6 0.008 -6.694 0.102 59 HE3 LYS 6 HE3 LYS 6 1.174 -6.827 -1.213 60 HZ1 LYS 6 HZ1 LYS 6 -0.019 -8.709 -1.562 61 HZ2 LYS 6 HZ2 LYS 6 -0.429 -8.909 0.067 62 HZ3 LYS 6 HZ3 LYS 6 1.115 -9.338 -0.475 63 H LYS 7 H LYS 7 6.535 -4.176 0.527 64 HA LYS 7 HA LYS 7 5.474 -2.580 2.767 65 HB2 LYS 7 HB2 LYS 7 7.336 -4.578 2.972 66 HB3 LYS 7 HB3 LYS 7 8.357 -3.156 2.803 67 HG2 LYS 7 HG2 LYS 7 8.105 -3.337 5.089 68 HG3 LYS 7 HG3 LYS 7 6.871 -2.151 4.659 69 HD2 LYS 7 HD2 LYS 7 5.863 -3.689 6.167 70 HD3 LYS 7 HD3 LYS 7 5.227 -4.053 4.561 71 HE2 LYS 7 HE2 LYS 7 6.377 -6.034 4.408 72 HE3 LYS 7 HE3 LYS 7 7.655 -5.501 5.499 73 HZ1 LYS 7 HZ1 LYS 7 6.629 -6.637 7.081 74 HZ2 LYS 7 HZ2 LYS 7 5.298 -6.961 6.089 75 HZ3 LYS 7 HZ3 LYS 7 5.345 -5.539 7.004 76 H VAL 8 H VAL 8 7.605 -0.973 3.281 77 HA VAL 8 HA VAL 8 7.383 1.012 1.290 78 HB VAL 8 HB VAL 8 7.838 1.602 3.605 79 HG11 VAL 8 1HG1 VAL 8 9.639 -0.474 3.558 80 HG12 VAL 8 2HG1 VAL 8 10.678 0.952 3.600 81 HG13 VAL 8 3HG1 VAL 8 9.461 0.709 4.854 82 HG21 VAL 8 3HG2 VAL 8 10.030 2.383 1.687 83 HG22 VAL 8 1HG2 VAL 8 8.502 3.218 1.961 84 HG23 VAL 8 2HG2 VAL 8 9.727 3.183 3.229 85 HA PRO 9 HA PRO 9 10.437 -0.370 -1.596 86 HB2 PRO 9 HB2 PRO 9 10.626 1.928 -3.028 87 HB3 PRO 9 HB3 PRO 9 9.256 0.820 -3.166 88 HG2 PRO 9 HG2 PRO 9 9.487 3.363 -1.603 89 HG3 PRO 9 HG3 PRO 9 8.139 2.779 -2.596 90 HD2 PRO 9 HD2 PRO 9 8.153 2.578 0.105 91 HD3 PRO 9 HD3 PRO 9 7.359 1.380 -0.938 92 H GLN 10 H GLN 10 12.368 -0.649 -0.573 93 HA GLN 10 HA GLN 10 13.993 1.767 -0.117 94 HB2 GLN 10 HB2 GLN 10 13.433 0.688 1.997 95 HB3 GLN 10 HB3 GLN 10 14.050 -0.847 1.401 96 HG2 GLN 10 HG2 GLN 10 16.283 0.337 1.133 97 HG3 GLN 10 HG3 GLN 10 15.583 1.632 2.102 98 HE21 GLN 10 1HE2 GLN 10 17.837 0.064 2.801 99 HE22 GLN 10 2HE2 GLN 10 17.442 -0.814 4.236 100 H VAL 11 H VAL 11 14.745 -1.707 -0.196 101 HA VAL 11 HA VAL 11 16.556 -1.194 -2.461 102 HB VAL 11 HB VAL 11 18.064 -2.972 -1.409 103 HG11 VAL 11 1HG1 VAL 11 18.359 -0.405 -1.488 104 HG12 VAL 11 2HG1 VAL 11 17.975 -0.470 0.234 105 HG13 VAL 11 3HG1 VAL 11 19.372 -1.346 -0.394 106 HG21 VAL 11 3HG2 VAL 11 17.953 -3.144 1.039 107 HG22 VAL 11 1HG2 VAL 11 16.468 -2.193 1.030 108 HG23 VAL 11 2HG2 VAL 11 16.501 -3.785 0.270 109 H SER 12 H SER 12 14.666 -3.554 -0.640 110 HA SER 12 HA SER 12 14.898 -5.508 -2.788 111 HB2 SER 12 HB2 SER 12 13.528 -5.619 -0.092 112 HB3 SER 12 HB3 SER 12 13.528 -6.946 -1.254 113 HG SER 12 HG SER 12 15.652 -7.245 -0.941 114 H THR 13 H THR 13 13.306 -6.043 -4.189 115 HA THR 13 HA THR 13 10.605 -5.039 -3.809 116 HB THR 13 HB THR 13 10.752 -4.220 -6.314 117 HG1 THR 13 HG1 THR 13 12.740 -4.091 -7.006 118 HG21 THR 13 3HG2 THR 13 10.841 -2.964 -3.776 119 HG22 THR 13 1HG2 THR 13 10.244 -2.304 -5.298 120 HG23 THR 13 2HG2 THR 13 11.933 -2.080 -4.843 121 HA PRO 14 HA PRO 14 9.448 -8.704 -5.928 122 HB2 PRO 14 HB2 PRO 14 7.215 -7.915 -7.254 123 HB3 PRO 14 HB3 PRO 14 7.262 -8.140 -5.502 124 HG2 PRO 14 HG2 PRO 14 7.467 -5.613 -7.094 125 HG3 PRO 14 HG3 PRO 14 6.552 -5.928 -5.608 126 HD2 PRO 14 HD2 PRO 14 8.939 -4.650 -5.605 127 HD3 PRO 14 HD3 PRO 14 8.408 -5.685 -4.263 128 H THR 15 H THR 15 9.159 -9.705 -8.030 129 HA THR 15 HA THR 15 9.936 -10.122 -10.135 130 HB THR 15 HB THR 15 9.166 -8.683 -11.846 131 HG1 THR 15 HG1 THR 15 8.600 -6.472 -11.354 132 HG21 THR 15 3HG2 THR 15 7.180 -7.869 -9.796 133 HG22 THR 15 1HG2 THR 15 7.476 -9.595 -9.999 134 HG23 THR 15 2HG2 THR 15 6.936 -8.625 -11.370 135 H LEU 16 H LEU 16 11.973 -9.389 -8.397 136 HA LEU 16 HA LEU 16 13.843 -8.140 -10.272 137 HB2 LEU 16 HB2 LEU 16 12.993 -6.497 -8.526 138 HB3 LEU 16 HB3 LEU 16 13.868 -7.467 -7.343 139 HG LEU 16 HG LEU 16 15.338 -6.389 -9.705 140 HD11 LEU 16 1HD1 LEU 16 13.933 -4.550 -8.654 141 HD12 LEU 16 2HD1 LEU 16 15.673 -4.277 -8.738 142 HD13 LEU 16 3HD1 LEU 16 14.930 -4.762 -7.214 143 HD21 LEU 16 3HD2 LEU 16 16.034 -7.900 -7.521 144 HD22 LEU 16 1HD2 LEU 16 16.517 -6.272 -7.042 145 HD23 LEU 16 2HD2 LEU 16 17.146 -6.976 -8.532 Start of MODEL 17 1 H1 LEU 1 H LEU 1 3.897 1.643 2.154 2 HA LEU 1 HA LEU 1 2.806 2.376 -0.483 3 HB2 LEU 1 HB2 LEU 1 5.176 3.109 0.193 4 HB3 LEU 1 HB3 LEU 1 5.607 1.412 -0.009 5 HG LEU 1 HG LEU 1 4.212 2.627 -2.298 6 HD11 LEU 1 1HD1 LEU 1 6.654 3.501 -2.921 7 HD12 LEU 1 2HD1 LEU 1 6.695 3.781 -1.181 8 HD13 LEU 1 3HD1 LEU 1 5.435 4.527 -2.163 9 HD21 LEU 1 3HD2 LEU 1 5.329 1.046 -3.441 10 HD22 LEU 1 1HD2 LEU 1 5.589 0.337 -1.847 11 HD23 LEU 1 2HD2 LEU 1 6.840 1.343 -2.579 12 H VAL 2 H VAL 2 1.668 0.763 -1.320 13 HA VAL 2 HA VAL 2 2.615 -1.997 -0.891 14 HB VAL 2 HB VAL 2 -0.213 -1.100 -1.462 15 HG11 VAL 2 1HG1 VAL 2 -0.428 -3.216 -2.157 16 HG12 VAL 2 2HG1 VAL 2 1.124 -3.696 -1.467 17 HG13 VAL 2 3HG1 VAL 2 -0.317 -3.644 -0.450 18 HG21 VAL 2 3HG2 VAL 2 0.419 -0.420 0.763 19 HG22 VAL 2 1HG2 VAL 2 -0.656 -1.814 0.870 20 HG23 VAL 2 2HG2 VAL 2 1.080 -2.019 1.104 21 H ARG 3 H ARG 3 1.786 0.430 -3.191 22 HA ARG 3 HA ARG 3 1.150 -1.014 -5.455 23 HB2 ARG 3 HB2 ARG 3 2.829 1.489 -5.226 24 HB3 ARG 3 HB3 ARG 3 2.170 0.870 -6.734 25 HG2 ARG 3 HG2 ARG 3 0.010 1.436 -6.183 26 HG3 ARG 3 HG3 ARG 3 0.336 1.414 -4.448 27 HD2 ARG 3 HD2 ARG 3 1.831 3.426 -4.858 28 HD3 ARG 3 HD3 ARG 3 1.109 3.506 -6.464 29 HE ARG 3 HE ARG 3 -0.926 3.410 -4.522 30 HH11 ARG 3 1HH1 ARG 3 1.531 5.545 -5.758 31 HH12 ARG 3 2HH1 ARG 3 0.665 6.989 -5.351 32 HH21 ARG 3 1HH2 ARG 3 -2.076 5.304 -3.981 33 HH22 ARG 3 2HH2 ARG 3 -1.386 6.851 -4.340 34 H TYR 4 H TYR 4 4.412 0.330 -5.009 35 HA TYR 4 HA TYR 4 5.642 -1.409 -6.823 36 HB2 TYR 4 HB2 TYR 4 7.023 -0.100 -4.480 37 HB3 TYR 4 HB3 TYR 4 7.726 -0.551 -6.029 38 HD1 TYR 4 HD2 TYR 4 5.697 0.517 -7.901 39 HD2 TYR 4 HD1 TYR 4 7.343 2.210 -4.362 40 HE1 TYR 4 HE2 TYR 4 5.235 2.771 -8.771 41 HE2 TYR 4 HE1 TYR 4 6.884 4.468 -5.221 42 HH TYR 4 HH TYR 4 4.867 5.061 -7.844 43 H THR 5 H THR 5 6.191 -1.413 -3.301 44 HA THR 5 HA THR 5 6.370 -4.354 -3.429 45 HB THR 5 HB THR 5 7.899 -2.651 -1.464 46 HG1 THR 5 HG1 THR 5 8.444 -2.367 -3.816 47 HG21 THR 5 3HG2 THR 5 7.972 -4.758 -0.585 48 HG22 THR 5 1HG2 THR 5 9.327 -4.884 -1.705 49 HG23 THR 5 2HG2 THR 5 7.750 -5.539 -2.150 50 H LYS 6 H LYS 6 5.750 -5.502 -1.507 51 HA LYS 6 HA LYS 6 3.319 -4.742 -0.426 52 HB2 LYS 6 HB2 LYS 6 4.004 -7.039 -0.344 53 HB3 LYS 6 HB3 LYS 6 5.413 -6.643 0.631 54 HG2 LYS 6 HG2 LYS 6 3.691 -7.679 1.983 55 HG3 LYS 6 HG3 LYS 6 3.955 -6.008 2.486 56 HD2 LYS 6 HD2 LYS 6 1.599 -6.381 2.443 57 HD3 LYS 6 HD3 LYS 6 1.998 -5.365 1.056 58 HE2 LYS 6 HE2 LYS 6 0.448 -7.051 0.345 59 HE3 LYS 6 HE3 LYS 6 2.025 -7.410 -0.357 60 HZ1 LYS 6 HZ1 LYS 6 2.375 -9.137 1.187 61 HZ2 LYS 6 HZ2 LYS 6 0.798 -9.350 0.614 62 HZ3 LYS 6 HZ3 LYS 6 1.058 -8.673 2.142 63 H LYS 7 H LYS 7 6.542 -3.926 0.589 64 HA LYS 7 HA LYS 7 5.405 -2.388 2.832 65 HB2 LYS 7 HB2 LYS 7 7.228 -4.449 3.043 66 HB3 LYS 7 HB3 LYS 7 8.254 -3.020 3.057 67 HG2 LYS 7 HG2 LYS 7 7.786 -3.439 5.303 68 HG3 LYS 7 HG3 LYS 7 6.695 -2.123 4.862 69 HD2 LYS 7 HD2 LYS 7 5.376 -3.635 6.093 70 HD3 LYS 7 HD3 LYS 7 4.958 -3.927 4.403 71 HE2 LYS 7 HE2 LYS 7 5.222 -6.068 5.278 72 HE3 LYS 7 HE3 LYS 7 6.767 -5.752 4.489 73 HZ1 LYS 7 HZ1 LYS 7 7.397 -4.890 6.855 74 HZ2 LYS 7 HZ2 LYS 7 7.459 -6.542 6.499 75 HZ3 LYS 7 HZ3 LYS 7 6.140 -5.910 7.349 76 H VAL 8 H VAL 8 7.553 -0.872 3.523 77 HA VAL 8 HA VAL 8 7.518 1.177 1.583 78 HB VAL 8 HB VAL 8 7.838 1.681 3.942 79 HG11 VAL 8 1HG1 VAL 8 10.634 0.612 3.788 80 HG12 VAL 8 2HG1 VAL 8 9.680 1.030 5.213 81 HG13 VAL 8 3HG1 VAL 8 9.290 -0.417 4.282 82 HG21 VAL 8 3HG2 VAL 8 9.781 3.224 3.732 83 HG22 VAL 8 1HG2 VAL 8 10.164 2.460 2.189 84 HG23 VAL 8 2HG2 VAL 8 8.642 3.328 2.390 85 HA PRO 9 HA PRO 9 10.711 -0.225 -1.139 86 HB2 PRO 9 HB2 PRO 9 11.060 2.103 -2.491 87 HB3 PRO 9 HB3 PRO 9 9.670 1.042 -2.748 88 HG2 PRO 9 HG2 PRO 9 9.872 3.535 -1.103 89 HG3 PRO 9 HG3 PRO 9 8.576 3.018 -2.196 90 HD2 PRO 9 HD2 PRO 9 8.408 2.747 0.493 91 HD3 PRO 9 HD3 PRO 9 7.649 1.602 -0.632 92 H GLN 10 H GLN 10 12.603 -0.589 -0.103 93 HA GLN 10 HA GLN 10 14.266 1.761 0.520 94 HB2 GLN 10 HB2 GLN 10 13.508 0.721 2.597 95 HB3 GLN 10 HB3 GLN 10 14.115 -0.839 2.056 96 HG2 GLN 10 HG2 GLN 10 16.399 0.293 1.933 97 HG3 GLN 10 HG3 GLN 10 15.665 1.589 2.876 98 HE21 GLN 10 1HE2 GLN 10 17.705 -0.708 3.308 99 HE22 GLN 10 2HE2 GLN 10 17.244 -1.342 4.848 100 H VAL 11 H VAL 11 14.870 -1.743 0.518 101 HA VAL 11 HA VAL 11 16.859 -1.328 -1.614 102 HB VAL 11 HB VAL 11 18.202 -3.168 -0.452 103 HG11 VAL 11 1HG1 VAL 11 19.455 -1.596 0.793 104 HG12 VAL 11 2HG1 VAL 11 18.734 -0.696 -0.543 105 HG13 VAL 11 3HG1 VAL 11 18.041 -0.581 1.075 106 HG21 VAL 11 3HG2 VAL 11 16.475 -3.893 1.108 107 HG22 VAL 11 1HG2 VAL 11 17.906 -3.335 1.974 108 HG23 VAL 11 2HG2 VAL 11 16.480 -2.303 1.871 109 H SER 12 H SER 12 14.730 -3.586 0.068 110 HA SER 12 HA SER 12 15.017 -5.549 -2.069 111 HB2 SER 12 HB2 SER 12 13.756 -5.565 0.653 112 HB3 SER 12 HB3 SER 12 13.285 -6.779 -0.536 113 HG SER 12 HG SER 12 14.988 -7.767 0.227 114 H THR 13 H THR 13 13.627 -5.764 -3.695 115 HA THR 13 HA THR 13 10.877 -4.842 -3.420 116 HB THR 13 HB THR 13 11.165 -3.739 -5.770 117 HG1 THR 13 HG1 THR 13 13.182 -3.699 -6.394 118 HG21 THR 13 3HG2 THR 13 11.129 -2.768 -3.148 119 HG22 THR 13 1HG2 THR 13 10.778 -1.866 -4.621 120 HG23 THR 13 2HG2 THR 13 12.412 -1.871 -3.958 121 HA PRO 14 HA PRO 14 9.941 -8.288 -5.971 122 HB2 PRO 14 HB2 PRO 14 7.780 -7.393 -7.348 123 HB3 PRO 14 HB3 PRO 14 7.722 -7.803 -5.630 124 HG2 PRO 14 HG2 PRO 14 7.973 -5.118 -6.928 125 HG3 PRO 14 HG3 PRO 14 6.974 -5.603 -5.547 126 HD2 PRO 14 HD2 PRO 14 9.329 -4.300 -5.254 127 HD3 PRO 14 HD3 PRO 14 8.736 -5.479 -4.067 128 H THR 15 H THR 15 12.002 -7.916 -7.179 129 HA THR 15 HA THR 15 12.029 -6.450 -9.606 130 HB THR 15 HB THR 15 13.819 -8.807 -9.058 131 HG1 THR 15 HG1 THR 15 14.250 -6.168 -8.085 132 HG21 THR 15 3HG2 THR 15 14.006 -6.265 -10.640 133 HG22 THR 15 1HG2 THR 15 14.286 -7.923 -11.168 134 HG23 THR 15 2HG2 THR 15 15.459 -7.120 -10.124 135 H LEU 16 H LEU 16 10.416 -6.976 -11.011 136 HA LEU 16 HA LEU 16 9.627 -9.647 -11.586 137 HB2 LEU 16 HB2 LEU 16 8.266 -7.517 -11.867 138 HB3 LEU 16 HB3 LEU 16 9.176 -7.258 -13.354 139 HG LEU 16 HG LEU 16 7.756 -9.851 -13.011 140 HD11 LEU 16 1HD1 LEU 16 5.853 -8.747 -12.517 141 HD12 LEU 16 2HD1 LEU 16 5.848 -8.421 -14.250 142 HD13 LEU 16 3HD1 LEU 16 6.458 -7.206 -13.126 143 HD21 LEU 16 3HD2 LEU 16 8.220 -10.030 -15.175 144 HD22 LEU 16 1HD2 LEU 16 9.162 -8.545 -15.042 145 HD23 LEU 16 2HD2 LEU 16 7.466 -8.473 -15.522 Start of MODEL 18 1 H1 LEU 1 H LEU 1 1.416 0.815 0.779 2 HA LEU 1 HA LEU 1 2.991 2.690 -0.831 3 HB2 LEU 1 HB2 LEU 1 3.462 1.371 1.600 4 HB3 LEU 1 HB3 LEU 1 4.543 0.623 0.427 5 HG LEU 1 HG LEU 1 4.411 3.597 0.884 6 HD11 LEU 1 1HD1 LEU 1 6.769 2.792 1.970 7 HD12 LEU 1 2HD1 LEU 1 5.690 1.487 2.463 8 HD13 LEU 1 3HD1 LEU 1 5.308 3.155 2.889 9 HD21 LEU 1 3HD2 LEU 1 6.339 3.731 -0.408 10 HD22 LEU 1 1HD2 LEU 1 5.366 2.533 -1.261 11 HD23 LEU 1 2HD2 LEU 1 6.698 2.013 -0.228 12 H VAL 2 H VAL 2 1.192 0.593 -1.924 13 HA VAL 2 HA VAL 2 2.698 -1.566 -2.934 14 HB VAL 2 HB VAL 2 0.208 -1.476 -2.897 15 HG11 VAL 2 1HG1 VAL 2 0.022 -0.107 -5.474 16 HG12 VAL 2 2HG1 VAL 2 -1.000 0.024 -4.041 17 HG13 VAL 2 3HG1 VAL 2 0.505 0.940 -4.140 18 HG21 VAL 2 3HG2 VAL 2 -0.088 -2.772 -4.861 19 HG22 VAL 2 1HG2 VAL 2 1.248 -1.962 -5.679 20 HG23 VAL 2 2HG2 VAL 2 1.570 -3.049 -4.328 21 H ARG 3 H ARG 3 2.719 1.735 -3.721 22 HA ARG 3 HA ARG 3 3.189 1.819 -6.437 23 HB2 ARG 3 HB2 ARG 3 4.075 3.483 -4.128 24 HB3 ARG 3 HB3 ARG 3 4.849 3.753 -5.683 25 HG2 ARG 3 HG2 ARG 3 1.872 3.691 -5.509 26 HG3 ARG 3 HG3 ARG 3 2.756 5.134 -5.008 27 HD2 ARG 3 HD2 ARG 3 2.361 5.591 -7.229 28 HD3 ARG 3 HD3 ARG 3 3.958 4.848 -7.305 29 HE ARG 3 HE ARG 3 1.941 2.887 -7.606 30 HH11 ARG 3 1HH1 ARG 3 3.505 5.493 -9.304 31 HH12 ARG 3 2HH1 ARG 3 3.217 4.817 -10.873 32 HH21 ARG 3 1HH2 ARG 3 1.556 1.987 -9.666 33 HH22 ARG 3 2HH2 ARG 3 2.107 2.823 -11.078 34 H TYR 4 H TYR 4 5.380 0.912 -3.842 35 HA TYR 4 HA TYR 4 7.450 0.311 -5.849 36 HB2 TYR 4 HB2 TYR 4 7.910 0.548 -2.880 37 HB3 TYR 4 HB3 TYR 4 9.104 0.594 -4.172 38 HD1 TYR 4 HD2 TYR 4 7.937 2.522 -6.041 39 HD2 TYR 4 HD1 TYR 4 8.072 2.593 -1.789 40 HE1 TYR 4 HE2 TYR 4 7.801 4.977 -6.084 41 HE2 TYR 4 HE1 TYR 4 7.935 5.049 -1.820 42 HH TYR 4 HH TYR 4 7.289 6.816 -4.749 43 H THR 5 H THR 5 6.635 -0.891 -2.594 44 HA THR 5 HA THR 5 6.503 -3.613 -3.682 45 HB THR 5 HB THR 5 7.926 -4.541 -2.023 46 HG1 THR 5 HG1 THR 5 8.962 -2.856 -0.532 47 HG21 THR 5 3HG2 THR 5 8.880 -2.872 -3.947 48 HG22 THR 5 1HG2 THR 5 9.890 -3.885 -2.917 49 HG23 THR 5 2HG2 THR 5 9.627 -2.191 -2.503 50 H LYS 6 H LYS 6 6.061 -5.062 -1.471 51 HA LYS 6 HA LYS 6 3.454 -4.100 -0.613 52 HB2 LYS 6 HB2 LYS 6 4.827 -6.720 -0.739 53 HB3 LYS 6 HB3 LYS 6 3.684 -6.511 0.582 54 HG2 LYS 6 HG2 LYS 6 2.761 -5.698 -2.103 55 HG3 LYS 6 HG3 LYS 6 2.989 -7.427 -1.827 56 HD2 LYS 6 HD2 LYS 6 0.732 -6.937 -1.276 57 HD3 LYS 6 HD3 LYS 6 1.587 -7.165 0.251 58 HE2 LYS 6 HE2 LYS 6 0.097 -5.238 0.359 59 HE3 LYS 6 HE3 LYS 6 1.783 -4.744 0.506 60 HZ1 LYS 6 HZ1 LYS 6 -0.038 -3.706 -1.227 61 HZ2 LYS 6 HZ2 LYS 6 0.866 -4.746 -2.206 62 HZ3 LYS 6 HZ3 LYS 6 1.641 -3.523 -1.332 63 H LYS 7 H LYS 7 6.652 -4.495 0.630 64 HA LYS 7 HA LYS 7 5.688 -3.807 3.329 65 HB2 LYS 7 HB2 LYS 7 8.312 -5.131 2.631 66 HB3 LYS 7 HB3 LYS 7 7.652 -4.872 4.241 67 HG2 LYS 7 HG2 LYS 7 5.754 -6.334 2.704 68 HG3 LYS 7 HG3 LYS 7 7.332 -7.109 2.552 69 HD2 LYS 7 HD2 LYS 7 6.408 -8.108 4.446 70 HD3 LYS 7 HD3 LYS 7 7.466 -6.860 5.110 71 HE2 LYS 7 HE2 LYS 7 5.442 -6.709 6.317 72 HE3 LYS 7 HE3 LYS 7 5.431 -5.360 5.182 73 HZ1 LYS 7 HZ1 LYS 7 4.108 -6.891 3.683 74 HZ2 LYS 7 HZ2 LYS 7 3.309 -6.297 5.051 75 HZ3 LYS 7 HZ3 LYS 7 3.896 -7.884 5.037 76 H VAL 8 H VAL 8 8.012 -2.970 4.482 77 HA VAL 8 HA VAL 8 8.193 -0.302 3.819 78 HB VAL 8 HB VAL 8 10.380 -1.979 5.059 79 HG11 VAL 8 1HG1 VAL 8 11.191 0.086 6.018 80 HG12 VAL 8 2HG1 VAL 8 11.119 0.239 4.261 81 HG13 VAL 8 3HG1 VAL 8 9.876 0.988 5.265 82 HG21 VAL 8 3HG2 VAL 8 9.333 -0.901 7.180 83 HG22 VAL 8 1HG2 VAL 8 7.905 -0.713 6.162 84 HG23 VAL 8 2HG2 VAL 8 8.569 -2.319 6.462 85 HA PRO 9 HA PRO 9 10.484 -0.262 0.036 86 HB2 PRO 9 HB2 PRO 9 11.053 2.393 0.002 87 HB3 PRO 9 HB3 PRO 9 9.451 1.749 -0.377 88 HG2 PRO 9 HG2 PRO 9 10.457 2.940 2.178 89 HG3 PRO 9 HG3 PRO 9 8.905 3.196 1.359 90 HD2 PRO 9 HD2 PRO 9 9.176 1.534 3.480 91 HD3 PRO 9 HD3 PRO 9 8.007 1.237 2.178 92 H GLN 10 H GLN 10 12.574 -0.560 -0.492 93 HA GLN 10 HA GLN 10 14.689 0.682 1.063 94 HB2 GLN 10 HB2 GLN 10 14.333 -2.311 0.884 95 HB3 GLN 10 HB3 GLN 10 15.836 -1.539 1.372 96 HG2 GLN 10 HG2 GLN 10 14.350 -0.355 3.139 97 HG3 GLN 10 HG3 GLN 10 13.226 -1.671 2.808 98 HE21 GLN 10 1HE2 GLN 10 14.723 -1.032 5.236 99 HE22 GLN 10 2HE2 GLN 10 15.654 -2.439 5.605 100 H VAL 11 H VAL 11 14.151 1.381 -1.438 101 HA VAL 11 HA VAL 11 14.949 1.546 -3.568 102 HB VAL 11 HB VAL 11 17.520 0.378 -2.531 103 HG11 VAL 11 1HG1 VAL 11 17.942 2.649 -4.113 104 HG12 VAL 11 2HG1 VAL 11 18.226 0.965 -4.555 105 HG13 VAL 11 3HG1 VAL 11 16.679 1.726 -4.925 106 HG21 VAL 11 3HG2 VAL 11 16.241 2.998 -1.885 107 HG22 VAL 11 1HG2 VAL 11 17.145 1.901 -0.841 108 HG23 VAL 11 2HG2 VAL 11 17.996 2.895 -2.024 109 H SER 12 H SER 12 13.500 -0.780 -3.151 110 HA SER 12 HA SER 12 14.602 -2.459 -5.233 111 HB2 SER 12 HB2 SER 12 14.680 -4.496 -4.013 112 HB3 SER 12 HB3 SER 12 15.533 -3.317 -3.016 113 HG SER 12 HG SER 12 13.431 -4.789 -2.364 114 H THR 13 H THR 13 13.053 -4.007 -6.055 115 HA THR 13 HA THR 13 10.275 -3.465 -5.251 116 HB THR 13 HB THR 13 9.842 -3.843 -7.838 117 HG1 THR 13 HG1 THR 13 12.421 -2.625 -7.786 118 HG21 THR 13 3HG2 THR 13 10.764 -1.237 -6.623 119 HG22 THR 13 1HG2 THR 13 9.121 -1.876 -6.622 120 HG23 THR 13 2HG2 THR 13 9.875 -1.384 -8.139 121 HA PRO 14 HA PRO 14 9.608 -7.802 -5.356 122 HB2 PRO 14 HB2 PRO 14 7.075 -7.970 -6.318 123 HB3 PRO 14 HB3 PRO 14 7.448 -7.385 -4.692 124 HG2 PRO 14 HG2 PRO 14 6.847 -5.824 -7.175 125 HG3 PRO 14 HG3 PRO 14 6.270 -5.559 -5.520 126 HD2 PRO 14 HD2 PRO 14 8.295 -4.125 -6.604 127 HD3 PRO 14 HD3 PRO 14 8.220 -4.513 -4.873 128 H THR 15 H THR 15 11.025 -8.621 -6.879 129 HA THR 15 HA THR 15 10.105 -8.704 -9.670 130 HB THR 15 HB THR 15 12.506 -9.559 -10.068 131 HG1 THR 15 HG1 THR 15 12.806 -9.783 -7.678 132 HG21 THR 15 3HG2 THR 15 12.942 -7.480 -10.781 133 HG22 THR 15 1HG2 THR 15 12.852 -6.813 -9.152 134 HG23 THR 15 2HG2 THR 15 11.379 -7.040 -10.095 135 H LEU 16 H LEU 16 8.557 -10.388 -9.095 136 HA LEU 16 HA LEU 16 9.714 -12.992 -8.444 137 HB2 LEU 16 HB2 LEU 16 6.808 -12.326 -8.845 138 HB3 LEU 16 HB3 LEU 16 7.492 -13.740 -8.045 139 HG LEU 16 HG LEU 16 7.887 -10.973 -6.948 140 HD11 LEU 16 1HD1 LEU 16 5.549 -11.081 -7.030 141 HD12 LEU 16 2HD1 LEU 16 5.966 -11.614 -5.402 142 HD13 LEU 16 3HD1 LEU 16 5.526 -12.799 -6.631 143 HD21 LEU 16 3HD2 LEU 16 9.188 -12.164 -5.581 144 HD22 LEU 16 1HD2 LEU 16 8.539 -13.698 -6.161 145 HD23 LEU 16 2HD2 LEU 16 7.691 -12.802 -4.901 Start of MODEL 19 1 H1 LEU 1 H LEU 1 2.437 0.261 1.445 2 HA LEU 1 HA LEU 1 2.660 1.829 -1.037 3 HB2 LEU 1 HB2 LEU 1 4.428 -0.219 0.236 4 HB3 LEU 1 HB3 LEU 1 4.495 0.048 -1.505 5 HG LEU 1 HG LEU 1 6.258 1.278 -0.399 6 HD11 LEU 1 1HD1 LEU 1 4.467 2.315 -2.214 7 HD12 LEU 1 2HD1 LEU 1 6.040 2.996 -1.801 8 HD13 LEU 1 3HD1 LEU 1 4.587 3.581 -0.992 9 HD21 LEU 1 3HD2 LEU 1 4.247 2.978 1.018 10 HD22 LEU 1 1HD2 LEU 1 5.967 2.765 1.347 11 HD23 LEU 1 2HD2 LEU 1 4.826 1.483 1.756 12 H VAL 2 H VAL 2 2.384 0.744 -3.049 13 HA VAL 2 HA VAL 2 0.925 -1.808 -2.887 14 HB VAL 2 HB VAL 2 0.188 0.500 -4.692 15 HG11 VAL 2 1HG1 VAL 2 -1.743 -0.858 -5.290 16 HG12 VAL 2 2HG1 VAL 2 -0.243 -1.707 -5.668 17 HG13 VAL 2 3HG1 VAL 2 -1.174 -2.153 -4.237 18 HG21 VAL 2 3HG2 VAL 2 -1.958 0.362 -3.261 19 HG22 VAL 2 1HG2 VAL 2 -0.932 -0.462 -2.086 20 HG23 VAL 2 2HG2 VAL 2 -0.546 1.183 -2.594 21 H ARG 3 H ARG 3 2.835 0.407 -4.862 22 HA ARG 3 HA ARG 3 3.147 -1.393 -7.051 23 HB2 ARG 3 HB2 ARG 3 3.553 1.257 -6.760 24 HB3 ARG 3 HB3 ARG 3 5.207 0.684 -6.592 25 HG2 ARG 3 HG2 ARG 3 4.946 1.175 -8.866 26 HG3 ARG 3 HG3 ARG 3 4.836 -0.583 -8.757 27 HD2 ARG 3 HD2 ARG 3 2.639 -0.616 -9.323 28 HD3 ARG 3 HD3 ARG 3 2.301 0.920 -8.528 29 HE ARG 3 HE ARG 3 2.971 0.520 -11.273 30 HH11 ARG 3 1HH1 ARG 3 3.222 2.757 -8.617 31 HH12 ARG 3 2HH1 ARG 3 3.343 4.154 -9.635 32 HH21 ARG 3 1HH2 ARG 3 3.128 2.352 -12.623 33 HH22 ARG 3 2HH2 ARG 3 3.288 3.922 -11.913 34 H TYR 4 H TYR 4 5.188 -0.491 -4.294 35 HA TYR 4 HA TYR 4 7.195 -2.450 -5.044 36 HB2 TYR 4 HB2 TYR 4 7.190 -0.892 -2.474 37 HB3 TYR 4 HB3 TYR 4 8.563 -1.506 -3.389 38 HD1 TYR 4 HD1 TYR 4 8.448 -0.517 -5.980 39 HD2 TYR 4 HD2 TYR 4 7.060 1.402 -2.445 40 HE1 TYR 4 HE1 TYR 4 8.699 1.670 -7.076 41 HE2 TYR 4 HE2 TYR 4 7.307 3.594 -3.532 42 HH TYR 4 HH TYR 4 7.817 3.942 -6.876 43 H THR 5 H THR 5 8.075 -3.423 -2.665 44 HA THR 5 HA THR 5 6.435 -5.628 -2.209 45 HB THR 5 HB THR 5 8.849 -5.567 -1.662 46 HG1 THR 5 HG1 THR 5 8.251 -7.222 -0.497 47 HG21 THR 5 3HG2 THR 5 8.107 -3.307 -0.144 48 HG22 THR 5 1HG2 THR 5 9.712 -4.014 -0.318 49 HG23 THR 5 2HG2 THR 5 8.660 -4.530 1.000 50 H LYS 6 H LYS 6 5.627 -6.250 0.048 51 HA LYS 6 HA LYS 6 3.594 -4.381 0.789 52 HB2 LYS 6 HB2 LYS 6 3.543 -6.985 0.816 53 HB3 LYS 6 HB3 LYS 6 4.285 -6.816 2.401 54 HG2 LYS 6 HG2 LYS 6 2.094 -6.897 3.002 55 HG3 LYS 6 HG3 LYS 6 2.277 -5.154 2.788 56 HD2 LYS 6 HD2 LYS 6 1.448 -6.846 0.469 57 HD3 LYS 6 HD3 LYS 6 0.259 -6.414 1.700 58 HE2 LYS 6 HE2 LYS 6 1.275 -4.001 1.308 59 HE3 LYS 6 HE3 LYS 6 1.688 -4.694 -0.260 60 HZ1 LYS 6 HZ1 LYS 6 -0.428 -3.674 -0.455 61 HZ2 LYS 6 HZ2 LYS 6 -1.014 -4.440 0.935 62 HZ3 LYS 6 HZ3 LYS 6 -0.693 -5.345 -0.458 63 H LYS 7 H LYS 7 6.805 -4.647 1.627 64 HA LYS 7 HA LYS 7 6.383 -3.486 4.295 65 HB2 LYS 7 HB2 LYS 7 8.064 -5.513 3.520 66 HB3 LYS 7 HB3 LYS 7 9.138 -4.121 3.502 67 HG2 LYS 7 HG2 LYS 7 9.418 -4.701 5.661 68 HG3 LYS 7 HG3 LYS 7 7.967 -3.717 5.868 69 HD2 LYS 7 HD2 LYS 7 7.927 -6.698 5.421 70 HD3 LYS 7 HD3 LYS 7 7.898 -5.942 7.016 71 HE2 LYS 7 HE2 LYS 7 5.833 -4.769 6.414 72 HE3 LYS 7 HE3 LYS 7 5.864 -5.531 4.825 73 HZ1 LYS 7 HZ1 LYS 7 5.811 -7.708 6.052 74 HZ2 LYS 7 HZ2 LYS 7 4.394 -6.789 6.135 75 HZ3 LYS 7 HZ3 LYS 7 5.453 -6.831 7.454 76 H VAL 8 H VAL 8 8.472 -2.002 4.800 77 HA VAL 8 HA VAL 8 8.063 0.413 3.535 78 HB VAL 8 HB VAL 8 10.631 -0.505 4.837 79 HG11 VAL 8 1HG1 VAL 8 9.573 2.291 4.438 80 HG12 VAL 8 2HG1 VAL 8 11.106 1.834 5.184 81 HG13 VAL 8 3HG1 VAL 8 10.839 1.545 3.464 82 HG21 VAL 8 3HG2 VAL 8 9.104 -0.779 6.530 83 HG22 VAL 8 1HG2 VAL 8 9.527 0.919 6.747 84 HG23 VAL 8 2HG2 VAL 8 8.033 0.481 5.918 85 HA PRO 9 HA PRO 9 9.989 -0.080 -0.416 86 HB2 PRO 9 HB2 PRO 9 10.032 2.543 -1.114 87 HB3 PRO 9 HB3 PRO 9 8.558 1.568 -1.136 88 HG2 PRO 9 HG2 PRO 9 9.524 3.495 0.941 89 HG3 PRO 9 HG3 PRO 9 7.890 3.282 0.287 90 HD2 PRO 9 HD2 PRO 9 8.648 2.255 2.674 91 HD3 PRO 9 HD3 PRO 9 7.454 1.459 1.629 92 H GLN 10 H GLN 10 12.087 -0.551 -0.577 93 HA GLN 10 HA GLN 10 14.048 1.533 0.040 94 HB2 GLN 10 HB2 GLN 10 14.306 -1.332 0.967 95 HB3 GLN 10 HB3 GLN 10 15.513 -0.069 1.170 96 HG2 GLN 10 HG2 GLN 10 13.650 1.186 2.440 97 HG3 GLN 10 HG3 GLN 10 12.879 -0.396 2.540 98 HE21 GLN 10 1HE2 GLN 10 15.784 1.410 3.342 99 HE22 GLN 10 2HE2 GLN 10 16.259 0.416 4.672 100 H VAL 11 H VAL 11 16.357 0.303 -0.548 101 HA VAL 11 HA VAL 11 16.446 0.279 -3.329 102 HB VAL 11 HB VAL 11 18.435 0.662 -1.965 103 HG11 VAL 11 1HG1 VAL 11 17.899 -1.021 -0.221 104 HG12 VAL 11 2HG1 VAL 11 18.375 -2.290 -1.351 105 HG13 VAL 11 3HG1 VAL 11 19.563 -1.111 -0.795 106 HG21 VAL 11 3HG2 VAL 11 18.869 -1.795 -3.651 107 HG22 VAL 11 1HG2 VAL 11 18.580 -0.192 -4.327 108 HG23 VAL 11 2HG2 VAL 11 20.006 -0.486 -3.331 109 H SER 12 H SER 12 15.750 -2.276 -1.081 110 HA SER 12 HA SER 12 15.863 -4.274 -3.227 111 HB2 SER 12 HB2 SER 12 15.740 -5.952 -1.456 112 HB3 SER 12 HB3 SER 12 17.041 -4.812 -1.116 113 HG SER 12 HG SER 12 15.118 -3.720 0.090 114 H THR 13 H THR 13 14.009 -4.147 -4.363 115 HA THR 13 HA THR 13 11.552 -4.877 -3.005 116 HB THR 13 HB THR 13 10.447 -2.961 -4.513 117 HG1 THR 13 HG1 THR 13 12.807 -2.312 -4.933 118 HG21 THR 13 3HG2 THR 13 11.596 -2.577 -1.747 119 HG22 THR 13 1HG2 THR 13 10.020 -3.260 -2.145 120 HG23 THR 13 2HG2 THR 13 10.353 -1.560 -2.474 121 HA PRO 14 HA PRO 14 10.715 -7.064 -6.717 122 HB2 PRO 14 HB2 PRO 14 8.011 -6.896 -6.886 123 HB3 PRO 14 HB3 PRO 14 8.838 -7.897 -5.687 124 HG2 PRO 14 HG2 PRO 14 7.638 -5.172 -5.377 125 HG3 PRO 14 HG3 PRO 14 7.548 -6.564 -4.284 126 HD2 PRO 14 HD2 PRO 14 9.251 -4.499 -3.875 127 HD3 PRO 14 HD3 PRO 14 9.639 -6.165 -3.400 128 H THR 15 H THR 15 9.971 -6.893 -8.911 129 HA THR 15 HA THR 15 9.602 -4.104 -9.795 130 HB THR 15 HB THR 15 11.784 -5.014 -10.475 131 HG1 THR 15 HG1 THR 15 11.594 -4.320 -12.564 132 HG21 THR 15 3HG2 THR 15 10.406 -6.943 -12.299 133 HG22 THR 15 1HG2 THR 15 10.762 -7.411 -10.637 134 HG23 THR 15 2HG2 THR 15 12.072 -6.943 -11.722 135 H LEU 16 H LEU 16 7.423 -5.743 -9.090 136 HA LEU 16 HA LEU 16 6.135 -6.041 -11.717 137 HB2 LEU 16 HB2 LEU 16 5.734 -7.870 -9.355 138 HB3 LEU 16 HB3 LEU 16 4.911 -7.981 -10.909 139 HG LEU 16 HG LEU 16 7.873 -8.379 -10.488 140 HD11 LEU 16 1HD1 LEU 16 7.153 -10.319 -9.592 141 HD12 LEU 16 2HD1 LEU 16 6.948 -10.771 -11.284 142 HD13 LEU 16 3HD1 LEU 16 5.563 -10.207 -10.349 143 HD21 LEU 16 3HD2 LEU 16 6.118 -8.230 -12.859 144 HD22 LEU 16 1HD2 LEU 16 7.306 -9.533 -12.842 145 HD23 LEU 16 2HD2 LEU 16 7.834 -7.858 -12.687 Start of MODEL 20 1 H1 LEU 1 H LEU 1 1.763 1.517 2.528 2 HA LEU 1 HA LEU 1 1.579 2.736 -0.072 3 HB2 LEU 1 HB2 LEU 1 3.504 2.819 1.698 4 HB3 LEU 1 HB3 LEU 1 4.022 1.329 0.911 5 HG LEU 1 HG LEU 1 3.542 3.801 -0.708 6 HD11 LEU 1 1HD1 LEU 1 6.078 3.131 0.779 7 HD12 LEU 1 2HD1 LEU 1 5.014 4.499 1.103 8 HD13 LEU 1 3HD1 LEU 1 5.891 4.407 -0.424 9 HD21 LEU 1 3HD2 LEU 1 5.781 2.048 -1.329 10 HD22 LEU 1 1HD2 LEU 1 4.471 2.625 -2.360 11 HD23 LEU 1 2HD2 LEU 1 4.227 1.211 -1.334 12 H VAL 2 H VAL 2 0.346 1.367 -1.347 13 HA VAL 2 HA VAL 2 1.497 -1.292 -1.883 14 HB VAL 2 HB VAL 2 -1.308 -0.377 -2.525 15 HG11 VAL 2 1HG1 VAL 2 -1.353 -3.090 -2.354 16 HG12 VAL 2 2HG1 VAL 2 -1.171 -2.182 -3.856 17 HG13 VAL 2 3HG1 VAL 2 0.253 -2.810 -3.025 18 HG21 VAL 2 3HG2 VAL 2 -0.133 -1.511 -0.056 19 HG22 VAL 2 1HG2 VAL 2 -1.517 -0.439 -0.267 20 HG23 VAL 2 2HG2 VAL 2 -1.685 -2.167 -0.577 21 H ARG 3 H ARG 3 3.037 0.074 -3.216 22 HA ARG 3 HA ARG 3 1.955 0.295 -5.940 23 HB2 ARG 3 HB2 ARG 3 3.467 2.331 -4.374 24 HB3 ARG 3 HB3 ARG 3 3.803 2.197 -6.095 25 HG2 ARG 3 HG2 ARG 3 0.970 2.389 -5.213 26 HG3 ARG 3 HG3 ARG 3 1.972 3.841 -5.179 27 HD2 ARG 3 HD2 ARG 3 1.162 3.990 -7.306 28 HD3 ARG 3 HD3 ARG 3 2.608 3.028 -7.610 29 HE ARG 3 HE ARG 3 0.275 1.444 -7.074 30 HH11 ARG 3 1HH1 ARG 3 2.067 3.147 -9.526 31 HH12 ARG 3 2HH1 ARG 3 1.438 2.196 -10.831 32 HH21 ARG 3 1HH2 ARG 3 -0.560 0.185 -8.784 33 HH22 ARG 3 2HH2 ARG 3 -0.057 0.513 -10.407 34 H TYR 4 H TYR 4 4.819 -0.062 -3.896 35 HA TYR 4 HA TYR 4 6.231 -1.306 -6.155 36 HB2 TYR 4 HB2 TYR 4 7.457 -0.432 -3.540 37 HB3 TYR 4 HB3 TYR 4 8.282 -0.808 -5.049 38 HD1 TYR 4 HD2 TYR 4 7.813 0.733 -7.056 39 HD2 TYR 4 HD1 TYR 4 6.868 1.770 -3.040 40 HE1 TYR 4 HE2 TYR 4 7.742 3.108 -7.692 41 HE2 TYR 4 HE1 TYR 4 6.793 4.148 -3.664 42 HH TYR 4 HH TYR 4 7.560 5.634 -5.347 43 H THR 5 H THR 5 6.217 -1.696 -2.609 44 HA THR 5 HA THR 5 5.809 -4.577 -2.973 45 HB THR 5 HB THR 5 8.235 -4.260 -2.740 46 HG1 THR 5 HG1 THR 5 8.368 -5.935 -1.401 47 HG21 THR 5 3HG2 THR 5 9.139 -2.801 -1.316 48 HG22 THR 5 1HG2 THR 5 8.293 -3.531 0.048 49 HG23 THR 5 2HG2 THR 5 7.507 -2.272 -0.906 50 H LYS 6 H LYS 6 4.994 -5.666 -1.105 51 HA LYS 6 HA LYS 6 2.996 -4.310 0.269 52 HB2 LYS 6 HB2 LYS 6 3.078 -6.764 -0.032 53 HB3 LYS 6 HB3 LYS 6 4.403 -6.848 1.122 54 HG2 LYS 6 HG2 LYS 6 2.585 -7.412 2.416 55 HG3 LYS 6 HG3 LYS 6 2.744 -5.683 2.734 56 HD2 LYS 6 HD2 LYS 6 0.994 -6.587 0.495 57 HD3 LYS 6 HD3 LYS 6 0.409 -6.740 2.153 58 HE2 LYS 6 HE2 LYS 6 1.279 -4.234 2.279 59 HE3 LYS 6 HE3 LYS 6 0.974 -4.308 0.544 60 HZ1 LYS 6 HZ1 LYS 6 -0.974 -3.516 1.665 61 HZ2 LYS 6 HZ2 LYS 6 -0.987 -4.847 2.707 62 HZ3 LYS 6 HZ3 LYS 6 -1.298 -5.062 1.059 63 H LYS 7 H LYS 7 6.366 -4.705 1.025 64 HA LYS 7 HA LYS 7 5.964 -3.505 3.674 65 HB2 LYS 7 HB2 LYS 7 7.515 -5.625 2.950 66 HB3 LYS 7 HB3 LYS 7 8.685 -4.314 2.877 67 HG2 LYS 7 HG2 LYS 7 8.947 -4.512 5.064 68 HG3 LYS 7 HG3 LYS 7 7.291 -3.937 5.270 69 HD2 LYS 7 HD2 LYS 7 7.846 -6.823 4.683 70 HD3 LYS 7 HD3 LYS 7 7.979 -6.198 6.328 71 HE2 LYS 7 HE2 LYS 7 5.530 -5.826 4.619 72 HE3 LYS 7 HE3 LYS 7 5.748 -7.203 5.697 73 HZ1 LYS 7 HZ1 LYS 7 5.642 -5.868 7.562 74 HZ2 LYS 7 HZ2 LYS 7 4.492 -5.151 6.551 75 HZ3 LYS 7 HZ3 LYS 7 6.023 -4.452 6.718 76 H VAL 8 H VAL 8 8.325 -2.269 4.126 77 HA VAL 8 HA VAL 8 8.017 0.236 2.957 78 HB VAL 8 HB VAL 8 10.539 -0.905 4.171 79 HG11 VAL 8 1HG1 VAL 8 9.683 1.970 3.855 80 HG12 VAL 8 2HG1 VAL 8 11.189 1.388 4.567 81 HG13 VAL 8 3HG1 VAL 8 10.877 1.154 2.846 82 HG21 VAL 8 3HG2 VAL 8 9.360 0.771 6.016 83 HG22 VAL 8 1HG2 VAL 8 7.992 -0.098 5.319 84 HG23 VAL 8 2HG2 VAL 8 9.328 -0.992 6.046 85 HA PRO 9 HA PRO 9 9.802 -0.308 -1.053 86 HB2 PRO 9 HB2 PRO 9 10.016 2.320 -1.699 87 HB3 PRO 9 HB3 PRO 9 8.476 1.452 -1.702 88 HG2 PRO 9 HG2 PRO 9 9.626 3.260 0.388 89 HG3 PRO 9 HG3 PRO 9 7.966 3.177 -0.228 90 HD2 PRO 9 HD2 PRO 9 8.707 2.046 2.118 91 HD3 PRO 9 HD3 PRO 9 7.435 1.360 1.087 92 H GLN 10 H GLN 10 11.854 -1.083 -0.894 93 HA GLN 10 HA GLN 10 13.981 0.901 -0.464 94 HB2 GLN 10 HB2 GLN 10 14.118 -1.958 0.497 95 HB3 GLN 10 HB3 GLN 10 15.294 -0.682 0.783 96 HG2 GLN 10 HG2 GLN 10 13.351 0.533 1.963 97 HG3 GLN 10 HG3 GLN 10 12.588 -1.055 1.993 98 HE21 GLN 10 1HE2 GLN 10 14.406 1.017 3.734 99 HE22 GLN 10 2HE2 GLN 10 15.206 -0.095 4.787 100 H VAL 11 H VAL 11 16.177 -0.570 -0.999 101 HA VAL 11 HA VAL 11 16.338 -0.625 -3.755 102 HB VAL 11 HB VAL 11 17.996 -2.276 -1.843 103 HG11 VAL 11 1HG1 VAL 11 18.679 -3.123 -3.836 104 HG12 VAL 11 2HG1 VAL 11 18.179 -1.693 -4.741 105 HG13 VAL 11 3HG1 VAL 11 19.682 -1.673 -3.817 106 HG21 VAL 11 3HG2 VAL 11 18.578 -0.263 -1.039 107 HG22 VAL 11 1HG2 VAL 11 19.505 -0.112 -2.531 108 HG23 VAL 11 2HG2 VAL 11 17.892 0.594 -2.419 109 H SER 12 H SER 12 15.281 -3.123 -1.556 110 HA SER 12 HA SER 12 15.176 -5.102 -3.699 111 HB2 SER 12 HB2 SER 12 16.021 -5.884 -1.559 112 HB3 SER 12 HB3 SER 12 14.563 -5.322 -0.742 113 HG SER 12 HG SER 12 14.878 -7.483 -2.525 114 H THR 13 H THR 13 13.373 -5.627 -4.761 115 HA THR 13 HA THR 13 10.755 -5.249 -3.620 116 HB THR 13 HB THR 13 10.166 -3.907 -5.857 117 HG1 THR 13 HG1 THR 13 11.846 -2.357 -6.213 118 HG21 THR 13 3HG2 THR 13 10.420 -3.304 -3.121 119 HG22 THR 13 1HG2 THR 13 9.487 -2.429 -4.334 120 HG23 THR 13 2HG2 THR 13 11.152 -1.959 -3.994 121 HA PRO 14 HA PRO 14 9.697 -8.525 -6.342 122 HB2 PRO 14 HB2 PRO 14 7.104 -7.972 -6.927 123 HB3 PRO 14 HB3 PRO 14 7.628 -8.555 -5.342 124 HG2 PRO 14 HG2 PRO 14 7.016 -5.761 -6.225 125 HG3 PRO 14 HG3 PRO 14 6.569 -6.581 -4.718 126 HD2 PRO 14 HD2 PRO 14 8.642 -4.847 -4.873 127 HD3 PRO 14 HD3 PRO 14 8.641 -6.237 -3.768 128 H THR 15 H THR 15 8.459 -8.925 -8.516 129 HA THR 15 HA THR 15 8.668 -8.733 -10.785 130 HB THR 15 HB THR 15 8.043 -6.299 -11.577 131 HG1 THR 15 HG1 THR 15 6.666 -5.448 -9.729 132 HG21 THR 15 3HG2 THR 15 5.658 -6.820 -11.185 133 HG22 THR 15 1HG2 THR 15 6.140 -8.104 -10.078 134 HG23 THR 15 2HG2 THR 15 6.561 -8.209 -11.787 135 H LEU 16 H LEU 16 10.948 -9.086 -10.836 136 HA LEU 16 HA LEU 16 12.442 -6.684 -11.635 137 HB2 LEU 16 HB2 LEU 16 13.161 -7.246 -9.402 138 HB3 LEU 16 HB3 LEU 16 13.422 -8.924 -9.874 139 HG LEU 16 HG LEU 16 15.237 -8.136 -11.397 140 HD11 LEU 16 1HD1 LEU 16 14.950 -5.523 -9.927 141 HD12 LEU 16 2HD1 LEU 16 14.383 -5.800 -11.574 142 HD13 LEU 16 3HD1 LEU 16 16.103 -5.919 -11.202 143 HD21 LEU 16 3HD2 LEU 16 15.890 -7.187 -8.647 144 HD22 LEU 16 1HD2 LEU 16 16.824 -8.209 -9.739 145 HD23 LEU 16 2HD2 LEU 16 15.428 -8.872 -8.890
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