NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623310 | 5u9q | 30211 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -1.767 -17.334 -2.008 2 H2 GLY 1 2HT GLY 1 -1.158 -16.268 -3.181 3 H3 GLY 1 3HT GLY 1 -2.094 -17.605 -3.650 4 HA2 GLY 1 2HA GLY 1 -4.041 -16.614 -3.178 5 HA3 GLY 1 1HA GLY 1 -3.361 -15.784 -1.777 6 H VAL 2 H VAL 2 -4.637 -15.247 -4.737 7 HA VAL 2 HA VAL 2 -2.870 -13.295 -5.836 8 HB VAL 2 HB VAL 2 -5.845 -13.659 -6.263 9 HG11 VAL 2 1HG1 VAL 2 -5.221 -12.562 -8.488 10 HG12 VAL 2 2HG1 VAL 2 -3.694 -12.117 -7.728 11 HG13 VAL 2 3HG1 VAL 2 -5.215 -11.504 -7.077 12 HG21 VAL 2 1HG2 VAL 2 -5.243 -15.050 -8.133 13 HG22 VAL 2 2HG2 VAL 2 -4.349 -15.658 -6.740 14 HG23 VAL 2 3HG2 VAL 2 -3.533 -14.662 -7.945 15 H VAL 3 H VAL 3 -5.665 -13.153 -3.675 16 HA VAL 3 HA VAL 3 -6.056 -10.385 -3.623 17 HB VAL 3 HB VAL 3 -7.569 -12.069 -2.582 18 HG11 VAL 3 1HG1 VAL 3 -7.023 -13.073 -0.479 19 HG12 VAL 3 2HG1 VAL 3 -5.583 -12.070 -0.297 20 HG13 VAL 3 3HG1 VAL 3 -5.625 -13.339 -1.521 21 HG21 VAL 3 1HG2 VAL 3 -8.204 -10.664 -0.713 22 HG22 VAL 3 2HG2 VAL 3 -7.598 -9.614 -1.993 23 HG23 VAL 3 3HG2 VAL 3 -6.577 -9.992 -0.606 24 H ASP 4 H ASP 4 -3.832 -12.422 -1.764 25 HA ASP 4 HA ASP 4 -2.876 -10.568 0.065 26 HB2 ASP 4 2HB ASP 4 -2.231 -12.910 0.158 27 HB3 ASP 4 1HB ASP 4 -1.365 -12.762 -1.370 28 H ILE 5 H ILE 5 -2.096 -10.958 -3.341 29 HA ILE 5 HA ILE 5 0.112 -9.168 -3.351 30 HB ILE 5 HB ILE 5 -1.582 -9.792 -5.724 31 HG12 ILE 5 2HG1 ILE 5 0.550 -11.536 -4.452 32 HG13 ILE 5 1HG1 ILE 5 -1.175 -11.916 -4.553 33 HG21 ILE 5 1HG2 ILE 5 1.416 -9.516 -5.472 34 HG22 ILE 5 2HG2 ILE 5 0.358 -8.145 -5.803 35 HG23 ILE 5 3HG2 ILE 5 0.452 -9.484 -6.947 36 HD11 ILE 5 1HD1 ILE 5 -0.936 -11.685 -7.086 37 HD12 ILE 5 2HD1 ILE 5 -0.149 -13.088 -6.363 38 HD13 ILE 5 3HD1 ILE 5 0.808 -11.682 -6.824 39 H LEU 6 H LEU 6 -3.171 -8.864 -4.555 40 HA LEU 6 HA LEU 6 -3.090 -6.154 -5.237 41 HB2 LEU 6 2HB LEU 6 -5.153 -8.205 -4.797 42 HB3 LEU 6 1HB LEU 6 -5.708 -6.564 -4.451 43 HG LEU 6 HG LEU 6 -4.181 -7.132 -6.988 44 HD11 LEU 6 1HD1 LEU 6 -6.021 -8.777 -6.911 45 HD12 LEU 6 2HD1 LEU 6 -6.328 -7.539 -8.130 46 HD13 LEU 6 3HD1 LEU 6 -7.168 -7.478 -6.580 47 HD21 LEU 6 1HD2 LEU 6 -6.364 -5.155 -6.247 48 HD22 LEU 6 2HD2 LEU 6 -5.492 -5.203 -7.779 49 HD23 LEU 6 3HD2 LEU 6 -4.639 -4.791 -6.291 50 H LYS 7 H LYS 7 -3.704 -7.747 -2.156 51 HA LYS 7 HA LYS 7 -4.587 -5.440 -0.753 52 HB2 LYS 7 2HB LYS 7 -4.735 -7.984 -0.147 53 HB3 LYS 7 1HB LYS 7 -3.173 -7.687 0.613 54 HG2 LYS 7 2HG LYS 7 -4.580 -7.140 2.370 55 HG3 LYS 7 1HG LYS 7 -4.432 -5.565 1.606 56 HD2 LYS 7 2HD LYS 7 -6.533 -5.874 0.433 57 HD3 LYS 7 1HD LYS 7 -6.654 -7.538 1.003 58 HE2 LYS 7 2HE LYS 7 -7.060 -6.870 3.232 59 HE3 LYS 7 1HE LYS 7 -6.462 -5.236 2.944 60 HZ1 LYS 7 1HZ LYS 7 -8.389 -4.597 1.978 61 HZ2 LYS 7 2HZ LYS 7 -9.026 -5.810 2.983 62 HZ3 LYS 7 3HZ LYS 7 -8.728 -6.132 1.341 63 H GLY 8 H GLY 8 -1.459 -6.708 -1.604 64 HA2 GLY 8 2HA GLY 8 -0.029 -5.015 0.284 65 HA3 GLY 8 1HA GLY 8 0.687 -6.114 -0.889 66 H ALA 9 H ALA 9 -0.292 -5.300 -3.266 67 HA ALA 9 HA ALA 9 1.295 -3.146 -3.996 68 HB1 ALA 9 1HB ALA 9 0.141 -3.159 -6.096 69 HB2 ALA 9 2HB ALA 9 -1.285 -3.906 -5.375 70 HB3 ALA 9 3HB ALA 9 0.209 -4.830 -5.534 71 H ALA 10 H ALA 10 -2.104 -3.178 -3.006 72 HA ALA 10 HA ALA 10 -2.596 -0.431 -3.539 73 HB1 ALA 10 1HB ALA 10 -4.478 -1.896 -3.345 74 HB2 ALA 10 2HB ALA 10 -4.553 -0.786 -1.977 75 HB3 ALA 10 3HB ALA 10 -3.970 -2.434 -1.743 76 H LYS 11 H LYS 11 -2.004 -2.167 -0.477 77 HA LYS 11 HA LYS 11 -1.827 0.170 1.094 78 HB2 LYS 11 2HB LYS 11 -2.332 -1.926 2.153 79 HB3 LYS 11 1HB LYS 11 -0.819 -2.610 1.577 80 HG2 LYS 11 2HG LYS 11 0.485 -1.206 2.996 81 HG3 LYS 11 1HG LYS 11 -0.901 -0.177 3.359 82 HD2 LYS 11 2HD LYS 11 -1.932 -1.849 4.694 83 HD3 LYS 11 1HD LYS 11 -0.869 -3.111 4.072 84 HE2 LYS 11 2HE LYS 11 -0.384 -2.094 6.437 85 HE3 LYS 11 1HE LYS 11 0.962 -2.375 5.332 86 HZ1 LYS 11 1HZ LYS 11 1.116 -0.143 4.817 87 HZ2 LYS 11 2HZ LYS 11 0.753 -0.102 6.476 88 HZ3 LYS 11 3HZ LYS 11 -0.463 0.205 5.330 89 H ASP 12 H ASP 12 0.416 -1.465 -0.928 90 HA ASP 12 HA ASP 12 2.853 -0.645 0.174 91 HB2 ASP 12 2HB ASP 12 2.723 -2.242 -1.681 92 HB3 ASP 12 1HB ASP 12 2.103 -0.978 -2.742 93 H ILE 13 H ILE 13 0.377 1.095 -1.505 94 HA ILE 13 HA ILE 13 2.046 3.378 -2.151 95 HB ILE 13 HB ILE 13 -0.972 3.284 -2.129 96 HG12 ILE 13 2HG1 ILE 13 0.959 2.373 -4.290 97 HG13 ILE 13 1HG1 ILE 13 -0.158 1.339 -3.388 98 HG21 ILE 13 1HG2 ILE 13 0.937 4.775 -3.943 99 HG22 ILE 13 2HG2 ILE 13 0.323 5.462 -2.439 100 HG23 ILE 13 3HG2 ILE 13 -0.793 5.046 -3.738 101 HD11 ILE 13 1HD1 ILE 13 -0.828 3.510 -5.385 102 HD12 ILE 13 2HD1 ILE 13 -2.027 2.861 -4.266 103 HD13 ILE 13 3HD1 ILE 13 -1.260 1.801 -5.449 104 H ALA 14 H ALA 14 -0.546 2.654 0.181 105 HA ALA 14 HA ALA 14 -0.727 5.115 1.444 106 HB1 ALA 14 1HB ALA 14 -1.745 3.983 3.259 107 HB2 ALA 14 2HB ALA 14 -0.845 2.500 2.939 108 HB3 ALA 14 3HB ALA 14 -2.126 3.009 1.839 109 H GLY 15 H GLY 15 1.796 2.760 1.575 110 HA2 GLY 15 2HA GLY 15 3.013 3.483 4.023 111 HA3 GLY 15 1HA GLY 15 3.818 2.691 2.673 112 H HIS 16 H HIS 16 3.528 4.627 0.692 113 HA HIS 16 HA HIS 16 5.646 6.412 1.384 114 HB2 HIS 16 2HB HIS 16 5.860 6.473 -0.849 115 HB3 HIS 16 1HB HIS 16 4.408 5.489 -0.990 116 HD2 HIS 16 2HD HIS 16 2.043 6.944 -1.645 117 HE1 HIS 16 1HE HIS 16 3.970 10.658 -2.204 118 HE2 HIS 16 2HE HIS 16 1.787 9.396 -2.505 119 H LEU 17 H LEU 17 2.146 6.761 1.019 120 HA LEU 17 HA LEU 17 2.054 9.570 1.248 121 HB2 LEU 17 2HB LEU 17 0.120 7.317 1.484 122 HB3 LEU 17 1HB LEU 17 -0.359 8.861 2.182 123 HG LEU 17 HG LEU 17 0.810 9.031 -0.543 124 HD11 LEU 17 1HD1 LEU 17 -1.351 8.323 -1.594 125 HD12 LEU 17 2HD1 LEU 17 -1.864 7.701 -0.025 126 HD13 LEU 17 3HD1 LEU 17 -0.472 6.991 -0.843 127 HD21 LEU 17 1HD2 LEU 17 -1.761 10.114 0.658 128 HD22 LEU 17 2HD2 LEU 17 -0.984 10.660 -0.829 129 HD23 LEU 17 3HD2 LEU 17 -0.207 10.945 0.727 130 H ALA 18 H ALA 18 2.170 6.989 3.560 131 HA ALA 18 HA ALA 18 1.465 8.470 5.870 132 HB1 ALA 18 1HB ALA 18 2.662 6.596 7.079 133 HB2 ALA 18 2HB ALA 18 3.058 5.931 5.495 134 HB3 ALA 18 3HB ALA 18 1.372 6.080 5.993 135 H SER 19 H SER 19 4.420 7.947 4.114 136 HA SER 19 HA SER 19 6.211 8.919 6.062 137 HB2 SER 19 2HB SER 19 6.319 8.171 3.235 138 HB3 SER 19 1HB SER 19 7.431 9.471 3.651 139 HG SER 19 HG SER 19 7.243 6.858 4.701 140 H LYS 20 H LYS 20 4.412 10.503 3.454 141 HA LYS 20 HA LYS 20 5.612 13.003 3.532 142 HB2 LYS 20 2HB LYS 20 3.515 11.715 2.212 143 HB3 LYS 20 1HB LYS 20 2.767 13.061 3.023 144 HG2 LYS 20 2HG LYS 20 4.584 14.532 2.083 145 HG3 LYS 20 1HG LYS 20 5.052 13.131 1.134 146 HD2 LYS 20 2HD LYS 20 2.926 13.062 0.009 147 HD3 LYS 20 1HD LYS 20 2.268 14.293 1.088 148 HE2 LYS 20 2HE LYS 20 3.631 15.998 0.150 149 HE3 LYS 20 1HE LYS 20 4.677 14.829 -0.655 150 HZ1 LYS 20 1HZ LYS 20 1.798 15.190 -1.278 151 HZ2 LYS 20 2HZ LYS 20 2.918 14.232 -2.125 152 HZ3 LYS 20 3HZ LYS 20 3.056 15.925 -2.147 153 H VAL 21 H VAL 21 2.701 11.831 5.237 154 HA VAL 21 HA VAL 21 2.389 14.256 6.725 155 HB VAL 21 HB VAL 21 0.451 12.874 6.217 156 HG11 VAL 21 1HG1 VAL 21 1.802 10.711 6.326 157 HG12 VAL 21 2HG1 VAL 21 0.193 10.645 7.044 158 HG13 VAL 21 3HG1 VAL 21 1.615 10.791 8.077 159 HG21 VAL 21 1HG2 VAL 21 1.005 12.706 9.192 160 HG22 VAL 21 2HG2 VAL 21 -0.562 12.880 8.399 161 HG23 VAL 21 3HG2 VAL 21 0.591 14.214 8.374 162 H MET 22 H MET 22 4.310 11.452 7.069 163 HA MET 22 HA MET 22 4.735 11.940 9.947 164 HB2 MET 22 2HB MET 22 4.231 9.609 9.139 165 HB3 MET 22 1HB MET 22 5.767 9.643 8.272 166 HG2 MET 22 2HG MET 22 6.999 9.948 10.332 167 HG3 MET 22 1HG MET 22 5.505 10.148 11.249 168 HE1 MET 22 1HE MET 22 6.082 8.599 12.916 169 HE2 MET 22 2HE MET 22 7.608 7.976 12.296 170 HE3 MET 22 3HE MET 22 6.338 6.854 12.775 171 HN1 NH2 23 HN1 NH2 23 7.026 10.785 7.428 172 HN2 NH2 23 HN2 NH2 23 8.225 11.945 7.785 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -3.677 -15.478 -1.520 2 H2 GLY 1 2HT GLY 1 -3.554 -16.852 -0.528 3 H3 GLY 1 3HT GLY 1 -2.634 -16.744 -1.952 4 HA2 GLY 1 2HA GLY 1 -2.336 -15.062 0.477 5 HA3 GLY 1 1HA GLY 1 -1.217 -16.307 -0.081 6 H VAL 2 H VAL 2 -0.986 -15.904 -2.722 7 HA VAL 2 HA VAL 2 0.712 -13.643 -2.910 8 HB VAL 2 HB VAL 2 1.073 -15.615 -4.294 9 HG11 VAL 2 1HG1 VAL 2 -1.358 -16.180 -4.536 10 HG12 VAL 2 2HG1 VAL 2 -0.477 -16.234 -6.062 11 HG13 VAL 2 3HG1 VAL 2 -1.510 -14.854 -5.689 12 HG21 VAL 2 1HG2 VAL 2 1.655 -13.247 -5.104 13 HG22 VAL 2 2HG2 VAL 2 0.228 -13.366 -6.134 14 HG23 VAL 2 3HG2 VAL 2 1.564 -14.498 -6.344 15 H VAL 3 H VAL 3 -2.643 -14.215 -3.802 16 HA VAL 3 HA VAL 3 -3.041 -11.918 -5.389 17 HB VAL 3 HB VAL 3 -4.627 -13.817 -5.286 18 HG11 VAL 3 1HG1 VAL 3 -5.452 -12.676 -2.604 19 HG12 VAL 3 2HG1 VAL 3 -4.393 -14.077 -2.769 20 HG13 VAL 3 3HG1 VAL 3 -6.048 -14.146 -3.375 21 HG21 VAL 3 1HG2 VAL 3 -5.946 -11.251 -4.359 22 HG22 VAL 3 2HG2 VAL 3 -6.624 -12.483 -5.425 23 HG23 VAL 3 3HG2 VAL 3 -5.297 -11.465 -5.985 24 H ASP 4 H ASP 4 -2.936 -12.409 -1.933 25 HA ASP 4 HA ASP 4 -4.274 -10.161 -0.995 26 HB2 ASP 4 2HB ASP 4 -3.351 -11.958 0.444 27 HB3 ASP 4 1HB ASP 4 -1.727 -11.349 0.128 28 H ILE 5 H ILE 5 -0.938 -10.467 -2.150 29 HA ILE 5 HA ILE 5 -0.132 -7.833 -1.552 30 HB ILE 5 HB ILE 5 0.910 -9.519 -3.790 31 HG12 ILE 5 2HG1 ILE 5 1.980 -9.538 -0.968 32 HG13 ILE 5 1HG1 ILE 5 0.718 -10.672 -1.472 33 HG21 ILE 5 1HG2 ILE 5 1.697 -7.177 -3.681 34 HG22 ILE 5 2HG2 ILE 5 3.000 -8.313 -3.333 35 HG23 ILE 5 3HG2 ILE 5 2.214 -7.441 -2.016 36 HD11 ILE 5 1HD1 ILE 5 2.167 -11.460 -3.312 37 HD12 ILE 5 2HD1 ILE 5 2.942 -11.685 -1.743 38 HD13 ILE 5 3HD1 ILE 5 3.432 -10.349 -2.786 39 H LEU 6 H LEU 6 -1.463 -9.304 -4.427 40 HA LEU 6 HA LEU 6 -1.324 -7.086 -6.142 41 HB2 LEU 6 2HB LEU 6 -2.712 -9.681 -6.074 42 HB3 LEU 6 1HB LEU 6 -3.593 -8.432 -6.961 43 HG LEU 6 HG LEU 6 -0.645 -8.854 -7.447 44 HD11 LEU 6 1HD1 LEU 6 -1.498 -11.052 -7.810 45 HD12 LEU 6 2HD1 LEU 6 -1.421 -10.306 -9.406 46 HD13 LEU 6 3HD1 LEU 6 -2.967 -10.436 -8.567 47 HD21 LEU 6 1HD2 LEU 6 -2.051 -6.862 -8.316 48 HD22 LEU 6 2HD2 LEU 6 -2.824 -8.038 -9.379 49 HD23 LEU 6 3HD2 LEU 6 -1.089 -7.746 -9.501 50 H LYS 7 H LYS 7 -4.039 -8.240 -4.134 51 HA LYS 7 HA LYS 7 -5.683 -5.981 -4.706 52 HB2 LYS 7 2HB LYS 7 -6.292 -8.390 -3.848 53 HB3 LYS 7 1HB LYS 7 -6.067 -7.652 -2.263 54 HG2 LYS 7 2HG LYS 7 -8.311 -7.183 -2.633 55 HG3 LYS 7 1HG LYS 7 -7.575 -5.729 -3.289 56 HD2 LYS 7 2HD LYS 7 -7.719 -6.614 -5.548 57 HD3 LYS 7 1HD LYS 7 -8.294 -8.167 -4.943 58 HE2 LYS 7 2HE LYS 7 -9.773 -5.596 -4.374 59 HE3 LYS 7 1HE LYS 7 -10.076 -6.540 -5.833 60 HZ1 LYS 7 1HZ LYS 7 -10.853 -8.329 -4.617 61 HZ2 LYS 7 2HZ LYS 7 -11.482 -7.004 -3.759 62 HZ3 LYS 7 3HZ LYS 7 -10.111 -7.822 -3.178 63 H GLY 8 H GLY 8 -3.204 -6.678 -2.382 64 HA2 GLY 8 2HA GLY 8 -3.952 -4.524 -0.582 65 HA3 GLY 8 1HA GLY 8 -2.530 -5.554 -0.452 66 H ALA 9 H ALA 9 -2.513 -4.641 -3.567 67 HA ALA 9 HA ALA 9 -0.283 -2.956 -3.366 68 HB1 ALA 9 1HB ALA 9 -1.047 -4.260 -5.402 69 HB2 ALA 9 2HB ALA 9 -0.507 -2.611 -5.719 70 HB3 ALA 9 3HB ALA 9 -2.231 -2.981 -5.675 71 H ALA 10 H ALA 10 -3.700 -2.260 -3.274 72 HA ALA 10 HA ALA 10 -3.616 0.492 -3.887 73 HB1 ALA 10 1HB ALA 10 -5.548 -0.779 -1.950 74 HB2 ALA 10 2HB ALA 10 -5.669 -1.018 -3.693 75 HB3 ALA 10 3HB ALA 10 -5.819 0.602 -3.013 76 H LYS 11 H LYS 11 -3.713 -1.135 -0.709 77 HA LYS 11 HA LYS 11 -3.306 1.230 0.778 78 HB2 LYS 11 2HB LYS 11 -4.195 -1.095 1.541 79 HB3 LYS 11 1HB LYS 11 -2.492 -1.449 1.795 80 HG2 LYS 11 2HG LYS 11 -2.318 0.618 3.200 81 HG3 LYS 11 1HG LYS 11 -4.064 0.815 3.042 82 HD2 LYS 11 2HD LYS 11 -4.450 -1.336 4.119 83 HD3 LYS 11 1HD LYS 11 -2.715 -1.649 4.181 84 HE2 LYS 11 2HE LYS 11 -2.352 0.102 5.756 85 HE3 LYS 11 1HE LYS 11 -3.959 0.777 5.485 86 HZ1 LYS 11 1HZ LYS 11 -4.053 -1.964 6.281 87 HZ2 LYS 11 2HZ LYS 11 -4.848 -0.617 6.946 88 HZ3 LYS 11 3HZ LYS 11 -3.267 -1.001 7.435 89 H ASP 12 H ASP 12 -1.174 -0.884 -0.885 90 HA ASP 12 HA ASP 12 1.229 -0.446 0.477 91 HB2 ASP 12 2HB ASP 12 0.782 -2.026 -1.488 92 HB3 ASP 12 1HB ASP 12 1.006 -0.621 -2.529 93 H ILE 13 H ILE 13 -0.681 1.614 -1.547 94 HA ILE 13 HA ILE 13 1.430 3.532 -2.061 95 HB ILE 13 HB ILE 13 -1.569 3.744 -2.428 96 HG12 ILE 13 2HG1 ILE 13 0.590 3.259 -4.500 97 HG13 ILE 13 1HG1 ILE 13 -0.328 1.949 -3.742 98 HG21 ILE 13 1HG2 ILE 13 -0.836 5.574 -4.045 99 HG22 ILE 13 2HG2 ILE 13 0.754 5.483 -3.287 100 HG23 ILE 13 3HG2 ILE 13 -0.651 5.955 -2.333 101 HD11 ILE 13 1HD1 ILE 13 -1.398 2.553 -5.848 102 HD12 ILE 13 2HD1 ILE 13 -1.466 4.247 -5.364 103 HD13 ILE 13 3HD1 ILE 13 -2.438 3.047 -4.513 104 H ALA 14 H ALA 14 -1.277 3.178 0.177 105 HA ALA 14 HA ALA 14 -1.219 5.751 1.304 106 HB1 ALA 14 1HB ALA 14 -2.064 3.081 2.429 107 HB2 ALA 14 2HB ALA 14 -3.096 4.352 1.773 108 HB3 ALA 14 3HB ALA 14 -2.262 4.597 3.307 109 H GLY 15 H GLY 15 0.851 3.015 1.695 110 HA2 GLY 15 2HA GLY 15 1.995 3.701 4.214 111 HA3 GLY 15 1HA GLY 15 2.701 2.619 3.016 112 H HIS 16 H HIS 16 2.971 4.308 0.847 113 HA HIS 16 HA HIS 16 5.386 5.633 1.402 114 HB2 HIS 16 2HB HIS 16 5.032 4.924 -0.820 115 HB3 HIS 16 1HB HIS 16 3.487 5.755 -0.907 116 HD2 HIS 16 2HD HIS 16 4.411 7.431 -3.044 117 HE1 HIS 16 1HE HIS 16 7.274 9.483 -0.716 118 HE2 HIS 16 2HE HIS 16 6.057 9.456 -2.945 119 H LEU 17 H LEU 17 2.079 6.848 1.035 120 HA LEU 17 HA LEU 17 2.670 9.587 1.228 121 HB2 LEU 17 2HB LEU 17 0.266 7.865 1.529 122 HB3 LEU 17 1HB LEU 17 0.176 9.467 2.255 123 HG LEU 17 HG LEU 17 1.281 9.396 -0.506 124 HD11 LEU 17 1HD1 LEU 17 -1.066 9.279 -1.451 125 HD12 LEU 17 2HD1 LEU 17 -1.591 8.667 0.118 126 HD13 LEU 17 3HD1 LEU 17 -0.434 7.748 -0.845 127 HD21 LEU 17 1HD2 LEU 17 0.717 11.449 0.919 128 HD22 LEU 17 2HD2 LEU 17 -0.980 11.039 0.667 129 HD23 LEU 17 3HD2 LEU 17 0.045 11.439 -0.712 130 H ALA 18 H ALA 18 2.282 7.099 3.603 131 HA ALA 18 HA ALA 18 1.973 8.738 5.891 132 HB1 ALA 18 1HB ALA 18 1.537 6.227 5.713 133 HB2 ALA 18 2HB ALA 18 2.373 6.772 7.167 134 HB3 ALA 18 3HB ALA 18 3.283 6.021 5.856 135 H SER 19 H SER 19 4.695 7.582 4.067 136 HA SER 19 HA SER 19 6.746 8.125 5.894 137 HB2 SER 19 2HB SER 19 6.925 6.847 3.705 138 HB3 SER 19 1HB SER 19 6.982 8.412 2.899 139 HG SER 19 HG SER 19 9.068 7.945 3.306 140 H LYS 20 H LYS 20 5.048 10.199 3.599 141 HA LYS 20 HA LYS 20 6.721 12.414 3.638 142 HB2 LYS 20 2HB LYS 20 4.269 11.639 2.538 143 HB3 LYS 20 1HB LYS 20 3.905 13.049 3.490 144 HG2 LYS 20 2HG LYS 20 5.892 14.173 2.381 145 HG3 LYS 20 1HG LYS 20 5.885 12.789 1.299 146 HD2 LYS 20 2HD LYS 20 3.429 13.303 0.848 147 HD3 LYS 20 1HD LYS 20 3.709 14.841 1.665 148 HE2 LYS 20 2HE LYS 20 5.630 15.223 0.048 149 HE3 LYS 20 1HE LYS 20 5.049 13.821 -0.850 150 HZ1 LYS 20 1HZ LYS 20 3.689 16.401 -0.385 151 HZ2 LYS 20 2HZ LYS 20 2.816 15.011 -0.825 152 HZ3 LYS 20 3HZ LYS 20 4.016 15.628 -1.858 153 H VAL 21 H VAL 21 3.846 11.703 5.635 154 HA VAL 21 HA VAL 21 4.281 14.020 7.289 155 HB VAL 21 HB VAL 21 2.004 13.262 6.841 156 HG11 VAL 21 1HG1 VAL 21 2.715 10.788 8.439 157 HG12 VAL 21 2HG1 VAL 21 2.658 10.823 6.677 158 HG13 VAL 21 3HG1 VAL 21 1.194 11.127 7.612 159 HG21 VAL 21 1HG2 VAL 21 2.657 14.332 9.060 160 HG22 VAL 21 2HG2 VAL 21 2.670 12.706 9.744 161 HG23 VAL 21 3HG2 VAL 21 1.174 13.377 9.093 162 H MET 22 H MET 22 5.263 10.729 7.282 163 HA MET 22 HA MET 22 5.975 10.772 10.131 164 HB2 MET 22 2HB MET 22 4.886 8.757 9.028 165 HB3 MET 22 1HB MET 22 6.408 8.519 8.168 166 HG2 MET 22 2HG MET 22 6.549 7.157 10.127 167 HG3 MET 22 1HG MET 22 7.552 8.571 10.449 168 HE1 MET 22 1HE MET 22 5.760 6.391 12.620 169 HE2 MET 22 2HE MET 22 6.029 7.609 13.863 170 HE3 MET 22 3HE MET 22 7.291 7.276 12.679 171 HN1 NH2 23 HN1 NH2 23 7.822 9.443 7.347 172 HN2 NH2 23 HN2 NH2 23 9.281 10.223 7.759 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -3.562 -15.591 -2.741 2 H2 GLY 1 2HT GLY 1 -4.617 -14.777 -1.688 3 H3 GLY 1 3HT GLY 1 -4.374 -16.450 -1.525 4 HA2 GLY 1 2HA GLY 1 -3.157 -14.765 0.041 5 HA3 GLY 1 1HA GLY 1 -2.352 -16.229 -0.527 6 H VAL 2 H VAL 2 -1.107 -16.029 -2.577 7 HA VAL 2 HA VAL 2 0.807 -13.993 -2.439 8 HB VAL 2 HB VAL 2 0.103 -15.554 -4.930 9 HG11 VAL 2 1HG1 VAL 2 2.723 -14.460 -3.860 10 HG12 VAL 2 2HG1 VAL 2 1.771 -13.725 -5.149 11 HG13 VAL 2 3HG1 VAL 2 2.502 -15.313 -5.387 12 HG21 VAL 2 1HG2 VAL 2 1.772 -17.219 -4.022 13 HG22 VAL 2 2HG2 VAL 2 0.261 -17.150 -3.116 14 HG23 VAL 2 3HG2 VAL 2 1.705 -16.360 -2.483 15 H VAL 3 H VAL 3 -1.769 -14.408 -4.882 16 HA VAL 3 HA VAL 3 -1.361 -11.909 -6.131 17 HB VAL 3 HB VAL 3 -2.578 -13.741 -7.216 18 HG11 VAL 3 1HG1 VAL 3 -3.696 -14.561 -5.133 19 HG12 VAL 3 2HG1 VAL 3 -4.817 -14.360 -6.480 20 HG13 VAL 3 3HG1 VAL 3 -4.760 -13.156 -5.193 21 HG21 VAL 3 1HG2 VAL 3 -4.443 -11.397 -6.747 22 HG22 VAL 3 2HG2 VAL 3 -4.337 -12.409 -8.188 23 HG23 VAL 3 3HG2 VAL 3 -3.020 -11.308 -7.785 24 H ASP 4 H ASP 4 -3.167 -12.872 -3.303 25 HA ASP 4 HA ASP 4 -4.945 -10.732 -3.055 26 HB2 ASP 4 2HB ASP 4 -4.773 -12.844 -1.619 27 HB3 ASP 4 1HB ASP 4 -3.521 -11.993 -0.716 28 H ILE 5 H ILE 5 -1.558 -11.013 -2.041 29 HA ILE 5 HA ILE 5 -1.360 -8.565 -0.691 30 HB ILE 5 HB ILE 5 0.789 -9.979 -2.223 31 HG12 ILE 5 2HG1 ILE 5 0.193 -10.233 0.726 32 HG13 ILE 5 1HG1 ILE 5 -0.526 -11.327 -0.464 33 HG21 ILE 5 1HG2 ILE 5 0.861 -7.988 0.055 34 HG22 ILE 5 2HG2 ILE 5 1.432 -7.719 -1.593 35 HG23 ILE 5 3HG2 ILE 5 2.268 -8.865 -0.545 36 HD11 ILE 5 1HD1 ILE 5 2.454 -10.842 -0.196 37 HD12 ILE 5 2HD1 ILE 5 1.664 -12.048 -1.210 38 HD13 ILE 5 3HD1 ILE 5 1.605 -12.198 0.546 39 H LEU 6 H LEU 6 -0.560 -9.397 -4.002 40 HA LEU 6 HA LEU 6 0.235 -6.859 -4.875 41 HB2 LEU 6 2HB LEU 6 -0.545 -9.414 -6.103 42 HB3 LEU 6 1HB LEU 6 -0.915 -8.013 -7.112 43 HG LEU 6 HG LEU 6 1.789 -8.274 -5.798 44 HD11 LEU 6 1HD1 LEU 6 1.503 -10.366 -7.003 45 HD12 LEU 6 2HD1 LEU 6 2.573 -9.319 -7.937 46 HD13 LEU 6 3HD1 LEU 6 0.886 -9.509 -8.416 47 HD21 LEU 6 1HD2 LEU 6 1.178 -6.121 -6.827 48 HD22 LEU 6 2HD2 LEU 6 0.775 -6.944 -8.334 49 HD23 LEU 6 3HD2 LEU 6 2.445 -6.908 -7.768 50 H LYS 7 H LYS 7 -2.963 -8.349 -4.680 51 HA LYS 7 HA LYS 7 -4.351 -6.275 -6.040 52 HB2 LYS 7 2HB LYS 7 -5.058 -8.731 -5.436 53 HB3 LYS 7 1HB LYS 7 -5.671 -7.971 -3.969 54 HG2 LYS 7 2HG LYS 7 -7.517 -7.737 -5.353 55 HG3 LYS 7 1HG LYS 7 -6.691 -6.223 -5.690 56 HD2 LYS 7 2HD LYS 7 -5.695 -7.150 -7.700 57 HD3 LYS 7 1HD LYS 7 -6.336 -8.749 -7.328 58 HE2 LYS 7 2HE LYS 7 -8.181 -6.384 -7.626 59 HE3 LYS 7 1HE LYS 7 -7.631 -7.286 -9.038 60 HZ1 LYS 7 1HZ LYS 7 -9.116 -8.844 -8.595 61 HZ2 LYS 7 2HZ LYS 7 -9.672 -7.955 -7.259 62 HZ3 LYS 7 3HZ LYS 7 -8.437 -9.105 -7.063 63 H GLY 8 H GLY 8 -3.405 -6.821 -2.707 64 HA2 GLY 8 2HA GLY 8 -4.990 -4.590 -1.711 65 HA3 GLY 8 1HA GLY 8 -3.922 -5.623 -0.764 66 H ALA 9 H ALA 9 -2.274 -4.718 -3.492 67 HA ALA 9 HA ALA 9 -0.362 -3.172 -2.150 68 HB1 ALA 9 1HB ALA 9 0.175 -4.279 -4.236 69 HB2 ALA 9 2HB ALA 9 0.415 -2.543 -4.439 70 HB3 ALA 9 3HB ALA 9 -1.025 -3.318 -5.100 71 H ALA 10 H ALA 10 -3.424 -2.304 -3.487 72 HA ALA 10 HA ALA 10 -3.022 0.425 -4.019 73 HB1 ALA 10 1HB ALA 10 -5.526 -0.928 -2.986 74 HB2 ALA 10 2HB ALA 10 -5.051 -0.821 -4.682 75 HB3 ALA 10 3HB ALA 10 -5.447 0.644 -3.782 76 H LYS 11 H LYS 11 -4.169 -1.178 -1.047 77 HA LYS 11 HA LYS 11 -4.329 1.204 0.465 78 HB2 LYS 11 2HB LYS 11 -5.427 -1.077 0.936 79 HB3 LYS 11 1HB LYS 11 -3.884 -1.490 1.670 80 HG2 LYS 11 2HG LYS 11 -4.049 0.377 3.218 81 HG3 LYS 11 1HG LYS 11 -5.525 0.937 2.429 82 HD2 LYS 11 2HD LYS 11 -6.611 -1.238 3.023 83 HD3 LYS 11 1HD LYS 11 -5.160 -1.672 3.928 84 HE2 LYS 11 2HE LYS 11 -5.483 0.075 5.500 85 HE3 LYS 11 1HE LYS 11 -6.650 0.899 4.466 86 HZ1 LYS 11 1HZ LYS 11 -8.252 -0.230 5.460 87 HZ2 LYS 11 2HZ LYS 11 -7.122 -1.066 6.416 88 HZ3 LYS 11 3HZ LYS 11 -7.585 -1.687 4.904 89 H ASP 12 H ASP 12 -1.727 -0.884 -0.356 90 HA ASP 12 HA ASP 12 0.064 -0.376 1.736 91 HB2 ASP 12 2HB ASP 12 0.341 -1.994 -0.231 92 HB3 ASP 12 1HB ASP 12 0.883 -0.599 -1.161 93 H ILE 13 H ILE 13 -1.085 1.604 -0.858 94 HA ILE 13 HA ILE 13 0.981 3.507 -1.029 95 HB ILE 13 HB ILE 13 -1.999 3.924 -1.374 96 HG12 ILE 13 2HG1 ILE 13 0.117 3.329 -3.463 97 HG13 ILE 13 1HG1 ILE 13 -0.921 2.085 -2.752 98 HG21 ILE 13 1HG2 ILE 13 -1.185 5.760 -2.910 99 HG22 ILE 13 2HG2 ILE 13 0.432 5.505 -2.253 100 HG23 ILE 13 3HG2 ILE 13 -0.873 6.051 -1.199 101 HD11 ILE 13 1HD1 ILE 13 -1.954 2.810 -4.814 102 HD12 ILE 13 2HD1 ILE 13 -1.799 4.504 -4.353 103 HD13 ILE 13 3HD1 ILE 13 -2.913 3.451 -3.481 104 H ALA 14 H ALA 14 -1.649 3.116 1.271 105 HA ALA 14 HA ALA 14 -1.632 5.627 2.485 106 HB1 ALA 14 1HB ALA 14 -2.064 2.922 3.772 107 HB2 ALA 14 2HB ALA 14 -3.306 3.919 3.014 108 HB3 ALA 14 3HB ALA 14 -2.507 4.472 4.485 109 H GLY 15 H GLY 15 0.659 3.042 2.630 110 HA2 GLY 15 2HA GLY 15 2.004 3.899 5.019 111 HA3 GLY 15 1HA GLY 15 2.607 2.734 3.843 112 H HIS 16 H HIS 16 2.405 4.437 1.554 113 HA HIS 16 HA HIS 16 4.915 5.703 1.622 114 HB2 HIS 16 2HB HIS 16 3.661 4.876 -0.416 115 HB3 HIS 16 1HB HIS 16 2.712 6.350 -0.298 116 HD2 HIS 16 2HD HIS 16 4.849 5.964 -2.841 117 HE1 HIS 16 1HE HIS 16 7.114 8.886 -0.804 118 HE2 HIS 16 2HE HIS 16 6.779 7.712 -3.031 119 H LEU 17 H LEU 17 1.632 6.984 1.953 120 HA LEU 17 HA LEU 17 2.339 9.709 2.002 121 HB2 LEU 17 2HB LEU 17 -0.031 8.078 2.775 122 HB3 LEU 17 1HB LEU 17 0.077 9.701 3.452 123 HG LEU 17 HG LEU 17 0.642 9.514 0.538 124 HD11 LEU 17 1HD1 LEU 17 -2.070 8.883 1.720 125 HD12 LEU 17 2HD1 LEU 17 -1.161 7.944 0.537 126 HD13 LEU 17 3HD1 LEU 17 -1.867 9.495 0.079 127 HD21 LEU 17 1HD2 LEU 17 -0.669 11.574 0.513 128 HD22 LEU 17 2HD2 LEU 17 0.479 11.650 1.850 129 HD23 LEU 17 3HD2 LEU 17 -1.217 11.285 2.164 130 H ALA 18 H ALA 18 2.238 7.235 4.436 131 HA ALA 18 HA ALA 18 2.472 8.901 6.717 132 HB1 ALA 18 1HB ALA 18 2.965 6.906 7.930 133 HB2 ALA 18 2HB ALA 18 3.510 6.077 6.473 134 HB3 ALA 18 3HB ALA 18 1.800 6.449 6.688 135 H SER 19 H SER 19 4.718 7.524 4.455 136 HA SER 19 HA SER 19 7.063 8.103 5.960 137 HB2 SER 19 2HB SER 19 7.318 6.380 4.378 138 HB3 SER 19 1HB SER 19 6.551 7.322 3.104 139 HG SER 19 HG SER 19 8.772 7.366 2.809 140 H LYS 20 H LYS 20 5.484 9.653 3.164 141 HA LYS 20 HA LYS 20 7.308 11.724 2.803 142 HB2 LYS 20 2HB LYS 20 4.910 10.793 1.692 143 HB3 LYS 20 1HB LYS 20 4.577 12.427 2.190 144 HG2 LYS 20 2HG LYS 20 6.740 13.096 1.038 145 HG3 LYS 20 1HG LYS 20 6.714 11.473 0.369 146 HD2 LYS 20 2HD LYS 20 4.400 11.943 -0.512 147 HD3 LYS 20 1HD LYS 20 4.630 13.621 -0.019 148 HE2 LYS 20 2HE LYS 20 6.571 13.826 -1.485 149 HE3 LYS 20 1HE LYS 20 6.455 12.121 -1.920 150 HZ1 LYS 20 1HZ LYS 20 4.557 14.300 -2.564 151 HZ2 LYS 20 2HZ LYS 20 4.138 12.660 -2.705 152 HZ3 LYS 20 3HZ LYS 20 5.405 13.300 -3.639 153 H VAL 21 H VAL 21 4.214 11.686 4.594 154 HA VAL 21 HA VAL 21 4.374 14.346 5.516 155 HB VAL 21 HB VAL 21 2.311 12.914 5.511 156 HG11 VAL 21 1HG1 VAL 21 1.978 11.267 7.197 157 HG12 VAL 21 2HG1 VAL 21 3.409 11.783 8.091 158 HG13 VAL 21 3HG1 VAL 21 3.587 10.942 6.551 159 HG21 VAL 21 1HG2 VAL 21 2.635 15.048 6.882 160 HG22 VAL 21 2HG2 VAL 21 2.955 14.000 8.263 161 HG23 VAL 21 3HG2 VAL 21 1.384 13.949 7.463 162 H MET 22 H MET 22 6.192 11.624 6.347 163 HA MET 22 HA MET 22 7.173 12.975 8.790 164 HB2 MET 22 2HB MET 22 5.768 10.995 9.364 165 HB3 MET 22 1HB MET 22 6.875 9.984 8.435 166 HG2 MET 22 2HG MET 22 8.699 10.467 9.906 167 HG3 MET 22 1HG MET 22 7.806 11.768 10.694 168 HE1 MET 22 1HE MET 22 8.872 8.098 11.045 169 HE2 MET 22 2HE MET 22 7.780 8.160 9.664 170 HE3 MET 22 3HE MET 22 7.319 7.253 11.103 171 HN1 NH2 23 HN1 NH2 23 8.340 9.930 7.356 172 HN2 NH2 23 HN2 NH2 23 9.860 10.550 6.889 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -3.570 -15.213 0.822 2 H2 GLY 1 2HT GLY 1 -4.926 -15.884 0.046 3 H3 GLY 1 3HT GLY 1 -4.213 -14.464 -0.557 4 HA2 GLY 1 2HA GLY 1 -2.340 -16.620 -0.358 5 HA3 GLY 1 1HA GLY 1 -3.698 -16.990 -1.421 6 H VAL 2 H VAL 2 -3.217 -16.537 -3.473 7 HA VAL 2 HA VAL 2 -1.119 -14.813 -4.280 8 HB VAL 2 HB VAL 2 -2.040 -15.128 -6.558 9 HG11 VAL 2 1HG1 VAL 2 -1.970 -17.674 -6.496 10 HG12 VAL 2 2HG1 VAL 2 -1.856 -17.542 -4.741 11 HG13 VAL 2 3HG1 VAL 2 -0.588 -16.861 -5.761 12 HG21 VAL 2 1HG2 VAL 2 -4.042 -16.717 -6.693 13 HG22 VAL 2 2HG2 VAL 2 -4.401 -15.069 -6.177 14 HG23 VAL 2 3HG2 VAL 2 -4.311 -16.366 -4.985 15 H VAL 3 H VAL 3 -4.635 -14.401 -4.107 16 HA VAL 3 HA VAL 3 -4.840 -11.904 -5.351 17 HB VAL 3 HB VAL 3 -6.805 -13.236 -4.784 18 HG11 VAL 3 1HG1 VAL 3 -5.932 -14.141 -2.641 19 HG12 VAL 3 2HG1 VAL 3 -7.542 -13.448 -2.452 20 HG13 VAL 3 3HG1 VAL 3 -6.126 -12.550 -1.906 21 HG21 VAL 3 1HG2 VAL 3 -6.871 -10.669 -3.175 22 HG22 VAL 3 2HG2 VAL 3 -8.213 -11.446 -4.014 23 HG23 VAL 3 3HG2 VAL 3 -6.910 -10.697 -4.938 24 H ASP 4 H ASP 4 -3.830 -12.784 -2.111 25 HA ASP 4 HA ASP 4 -4.046 -10.351 -0.786 26 HB2 ASP 4 2HB ASP 4 -3.287 -12.605 0.142 27 HB3 ASP 4 1HB ASP 4 -1.686 -12.202 -0.475 28 H ILE 5 H ILE 5 -1.740 -11.394 -3.202 29 HA ILE 5 HA ILE 5 0.240 -9.448 -2.826 30 HB ILE 5 HB ILE 5 -0.611 -10.666 -5.424 31 HG12 ILE 5 2HG1 ILE 5 1.560 -11.689 -3.592 32 HG13 ILE 5 1HG1 ILE 5 -0.109 -12.266 -3.460 33 HG21 ILE 5 1HG2 ILE 5 0.924 -8.816 -5.731 34 HG22 ILE 5 2HG2 ILE 5 1.814 -10.319 -5.975 35 HG23 ILE 5 3HG2 ILE 5 1.977 -9.433 -4.458 36 HD11 ILE 5 1HD1 ILE 5 -0.057 -12.928 -5.843 37 HD12 ILE 5 2HD1 ILE 5 1.202 -13.751 -4.921 38 HD13 ILE 5 3HD1 ILE 5 1.615 -12.381 -5.954 39 H LEU 6 H LEU 6 -2.567 -9.466 -4.921 40 HA LEU 6 HA LEU 6 -2.212 -6.926 -6.066 41 HB2 LEU 6 2HB LEU 6 -4.380 -8.913 -5.840 42 HB3 LEU 6 1HB LEU 6 -4.944 -7.249 -6.018 43 HG LEU 6 HG LEU 6 -2.778 -8.326 -7.821 44 HD11 LEU 6 1HD1 LEU 6 -4.581 -8.906 -9.447 45 HD12 LEU 6 2HD1 LEU 6 -5.776 -8.621 -8.180 46 HD13 LEU 6 3HD1 LEU 6 -4.606 -9.931 -8.012 47 HD21 LEU 6 1HD2 LEU 6 -4.929 -6.198 -8.099 48 HD22 LEU 6 2HD2 LEU 6 -3.771 -6.628 -9.358 49 HD23 LEU 6 3HD2 LEU 6 -3.207 -5.910 -7.851 50 H LYS 7 H LYS 7 -3.870 -7.963 -3.116 51 HA LYS 7 HA LYS 7 -4.931 -5.407 -2.456 52 HB2 LYS 7 2HB LYS 7 -5.545 -7.803 -1.585 53 HB3 LYS 7 1HB LYS 7 -4.304 -7.461 -0.380 54 HG2 LYS 7 2HG LYS 7 -6.182 -6.580 0.669 55 HG3 LYS 7 1HG LYS 7 -5.574 -5.154 -0.156 56 HD2 LYS 7 2HD LYS 7 -7.175 -5.384 -1.923 57 HD3 LYS 7 1HD LYS 7 -7.638 -6.998 -1.385 58 HE2 LYS 7 2HE LYS 7 -9.113 -4.883 -0.748 59 HE3 LYS 7 1HE LYS 7 -8.881 -6.201 0.401 60 HZ1 LYS 7 1HZ LYS 7 -7.611 -3.544 0.346 61 HZ2 LYS 7 2HZ LYS 7 -6.826 -4.844 1.107 62 HZ3 LYS 7 3HZ LYS 7 -8.360 -4.345 1.640 63 H GLY 8 H GLY 8 -1.807 -6.790 -2.240 64 HA2 GLY 8 2HA GLY 8 -0.838 -5.261 -0.014 65 HA3 GLY 8 1HA GLY 8 0.144 -6.142 -1.181 66 H ALA 9 H ALA 9 -0.253 -5.027 -3.533 67 HA ALA 9 HA ALA 9 1.257 -2.727 -3.604 68 HB1 ALA 9 1HB ALA 9 -0.943 -3.392 -5.572 69 HB2 ALA 9 2HB ALA 9 0.648 -4.153 -5.573 70 HB3 ALA 9 3HB ALA 9 0.499 -2.422 -5.875 71 H ALA 10 H ALA 10 -2.197 -3.054 -3.095 72 HA ALA 10 HA ALA 10 -2.991 -0.399 -3.523 73 HB1 ALA 10 1HB ALA 10 -4.497 -2.393 -3.130 74 HB2 ALA 10 2HB ALA 10 -4.951 -0.932 -2.253 75 HB3 ALA 10 3HB ALA 10 -4.124 -2.243 -1.414 76 H LYS 11 H LYS 11 -1.755 -2.001 -0.606 77 HA LYS 11 HA LYS 11 -1.965 0.304 1.038 78 HB2 LYS 11 2HB LYS 11 -1.762 -2.219 1.694 79 HB3 LYS 11 1HB LYS 11 -0.037 -1.889 1.606 80 HG2 LYS 11 2HG LYS 11 -0.466 0.112 3.130 81 HG3 LYS 11 1HG LYS 11 -2.078 -0.553 3.385 82 HD2 LYS 11 2HD LYS 11 -0.669 -1.350 5.179 83 HD3 LYS 11 1HD LYS 11 -0.999 -2.711 4.108 84 HE2 LYS 11 2HE LYS 11 1.427 -1.102 3.473 85 HE3 LYS 11 1HE LYS 11 1.496 -2.084 4.937 86 HZ1 LYS 11 1HZ LYS 11 0.359 -3.738 3.110 87 HZ2 LYS 11 2HZ LYS 11 1.992 -3.754 3.580 88 HZ3 LYS 11 3HZ LYS 11 1.514 -2.901 2.190 89 H ASP 12 H ASP 12 0.363 -0.838 -1.213 90 HA ASP 12 HA ASP 12 2.683 0.436 -0.305 91 HB2 ASP 12 2HB ASP 12 2.410 -1.164 -2.296 92 HB3 ASP 12 1HB ASP 12 1.913 0.255 -3.217 93 H ILE 13 H ILE 13 -0.227 1.667 -1.718 94 HA ILE 13 HA ILE 13 0.849 4.217 -2.516 95 HB ILE 13 HB ILE 13 -2.003 3.313 -2.049 96 HG12 ILE 13 2HG1 ILE 13 -0.554 3.786 -4.667 97 HG13 ILE 13 1HG1 ILE 13 -0.594 2.200 -3.882 98 HG21 ILE 13 1HG2 ILE 13 -1.984 5.695 -1.888 99 HG22 ILE 13 2HG2 ILE 13 -2.463 5.338 -3.547 100 HG23 ILE 13 3HG2 ILE 13 -0.811 5.846 -3.196 101 HD11 ILE 13 1HD1 ILE 13 -3.011 3.828 -4.733 102 HD12 ILE 13 2HD1 ILE 13 -3.075 2.275 -3.898 103 HD13 ILE 13 3HD1 ILE 13 -2.409 2.372 -5.527 104 H ALA 14 H ALA 14 -1.355 3.222 0.115 105 HA ALA 14 HA ALA 14 -1.417 5.673 1.458 106 HB1 ALA 14 1HB ALA 14 -1.647 2.874 2.588 107 HB2 ALA 14 2HB ALA 14 -2.973 3.871 1.989 108 HB3 ALA 14 3HB ALA 14 -2.096 4.350 3.442 109 H GLY 15 H GLY 15 1.023 3.234 1.314 110 HA2 GLY 15 2HA GLY 15 2.443 3.798 3.687 111 HA3 GLY 15 1HA GLY 15 3.127 3.071 2.235 112 H HIS 16 H HIS 16 2.615 5.190 0.430 113 HA HIS 16 HA HIS 16 4.885 6.820 0.900 114 HB2 HIS 16 2HB HIS 16 4.621 7.398 -1.270 115 HB3 HIS 16 1HB HIS 16 3.336 6.193 -1.294 116 HD2 HIS 16 2HD HIS 16 0.873 7.265 -1.952 117 HE1 HIS 16 1HE HIS 16 1.753 11.314 -1.145 118 HE2 HIS 16 2HE HIS 16 -0.011 9.719 -2.038 119 H LEU 17 H LEU 17 1.420 7.323 1.362 120 HA LEU 17 HA LEU 17 1.532 10.080 1.941 121 HB2 LEU 17 2HB LEU 17 -0.417 7.864 2.322 122 HB3 LEU 17 1HB LEU 17 -0.645 9.300 3.316 123 HG LEU 17 HG LEU 17 -0.115 9.835 0.441 124 HD11 LEU 17 1HD1 LEU 17 -2.456 9.313 -0.199 125 HD12 LEU 17 2HD1 LEU 17 -2.703 8.558 1.376 126 HD13 LEU 17 3HD1 LEU 17 -1.552 7.862 0.234 127 HD21 LEU 17 1HD2 LEU 17 -1.785 11.551 0.800 128 HD22 LEU 17 2HD2 LEU 17 -0.719 11.546 2.205 129 HD23 LEU 17 3HD2 LEU 17 -2.310 10.794 2.304 130 H ALA 18 H ALA 18 2.016 7.217 3.839 131 HA ALA 18 HA ALA 18 1.921 8.406 6.409 132 HB1 ALA 18 1HB ALA 18 3.362 5.923 5.451 133 HB2 ALA 18 2HB ALA 18 1.736 5.987 6.132 134 HB3 ALA 18 3HB ALA 18 3.131 6.367 7.142 135 H SER 19 H SER 19 4.375 8.037 3.978 136 HA SER 19 HA SER 19 6.624 8.671 5.540 137 HB2 SER 19 2HB SER 19 6.710 7.654 3.267 138 HB3 SER 19 1HB SER 19 6.224 9.207 2.593 139 HG SER 19 HG SER 19 8.506 8.752 4.227 140 H LYS 20 H LYS 20 4.313 10.689 3.780 141 HA LYS 20 HA LYS 20 5.653 13.115 3.874 142 HB2 LYS 20 2HB LYS 20 3.186 12.099 3.038 143 HB3 LYS 20 1HB LYS 20 2.790 13.327 4.206 144 HG2 LYS 20 2HG LYS 20 4.418 14.848 2.980 145 HG3 LYS 20 1HG LYS 20 4.408 13.607 1.739 146 HD2 LYS 20 2HD LYS 20 1.920 13.805 1.605 147 HD3 LYS 20 1HD LYS 20 2.015 15.158 2.732 148 HE2 LYS 20 2HE LYS 20 3.582 16.293 1.115 149 HE3 LYS 20 1HE LYS 20 3.240 15.000 -0.034 150 HZ1 LYS 20 1HZ LYS 20 1.789 17.285 0.293 151 HZ2 LYS 20 2HZ LYS 20 0.862 16.110 1.098 152 HZ3 LYS 20 3HZ LYS 20 1.282 15.893 -0.534 153 H VAL 21 H VAL 21 3.255 11.764 6.149 154 HA VAL 21 HA VAL 21 3.502 13.934 7.993 155 HB VAL 21 HB VAL 21 1.442 12.665 7.920 156 HG11 VAL 21 1HG1 VAL 21 3.132 10.301 8.794 157 HG12 VAL 21 2HG1 VAL 21 2.453 10.523 7.181 158 HG13 VAL 21 3HG1 VAL 21 1.383 10.297 8.564 159 HG21 VAL 21 1HG2 VAL 21 1.134 12.321 10.265 160 HG22 VAL 21 2HG2 VAL 21 2.366 13.575 10.133 161 HG23 VAL 21 3HG2 VAL 21 2.834 11.916 10.502 162 H MET 22 H MET 22 5.330 11.120 7.362 163 HA MET 22 HA MET 22 6.512 11.038 10.043 164 HB2 MET 22 2HB MET 22 5.921 8.953 8.688 165 HB3 MET 22 1HB MET 22 7.297 9.359 7.662 166 HG2 MET 22 2HG MET 22 8.745 9.390 9.709 167 HG3 MET 22 1HG MET 22 7.362 8.822 10.644 168 HE1 MET 22 1HE MET 22 9.721 7.221 11.017 169 HE2 MET 22 2HE MET 22 10.493 7.699 9.508 170 HE3 MET 22 3HE MET 22 10.202 5.994 9.838 171 HN1 NH2 23 HN1 NH2 23 8.240 10.702 6.923 172 HN2 NH2 23 HN2 NH2 23 6.442 13.661 3.653 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -0.492 -16.310 -1.459 2 H2 GLY 1 2HT GLY 1 -1.724 -17.122 -0.618 3 H3 GLY 1 3HT GLY 1 -1.519 -15.447 -0.423 4 HA2 GLY 1 2HA GLY 1 -2.369 -16.829 -2.910 5 HA3 GLY 1 1HA GLY 1 -3.403 -15.873 -1.848 6 H VAL 2 H VAL 2 -1.741 -15.744 -4.667 7 HA VAL 2 HA VAL 2 -0.312 -13.376 -4.725 8 HB VAL 2 HB VAL 2 -2.175 -14.297 -6.922 9 HG11 VAL 2 1HG1 VAL 2 0.440 -12.760 -6.888 10 HG12 VAL 2 2HG1 VAL 2 -1.147 -12.117 -7.305 11 HG13 VAL 2 3HG1 VAL 2 -0.379 -13.311 -8.350 12 HG21 VAL 2 1HG2 VAL 2 -0.912 -16.232 -6.277 13 HG22 VAL 2 2HG2 VAL 2 0.562 -15.284 -6.079 14 HG23 VAL 2 3HG2 VAL 2 -0.099 -15.563 -7.690 15 H VAL 3 H VAL 3 -3.804 -13.867 -4.841 16 HA VAL 3 HA VAL 3 -4.631 -11.302 -5.556 17 HB VAL 3 HB VAL 3 -6.162 -13.221 -5.359 18 HG11 VAL 3 1HG1 VAL 3 -6.802 -14.123 -3.247 19 HG12 VAL 3 2HG1 VAL 3 -6.005 -12.819 -2.366 20 HG13 VAL 3 3HG1 VAL 3 -5.041 -14.035 -3.204 21 HG21 VAL 3 1HG2 VAL 3 -8.028 -12.007 -4.395 22 HG22 VAL 3 2HG2 VAL 3 -6.982 -10.842 -5.209 23 HG23 VAL 3 3HG2 VAL 3 -6.936 -10.992 -3.452 24 H ASP 4 H ASP 4 -3.782 -12.609 -2.371 25 HA ASP 4 HA ASP 4 -4.513 -10.444 -0.777 26 HB2 ASP 4 2HB ASP 4 -3.631 -12.729 -0.049 27 HB3 ASP 4 1HB ASP 4 -2.017 -12.076 -0.327 28 H ILE 5 H ILE 5 -1.684 -10.917 -2.808 29 HA ILE 5 HA ILE 5 -0.198 -8.709 -1.840 30 HB ILE 5 HB ILE 5 -0.003 -9.834 -4.597 31 HG12 ILE 5 2HG1 ILE 5 1.244 -10.929 -2.059 32 HG13 ILE 5 1HG1 ILE 5 -0.074 -11.699 -2.955 33 HG21 ILE 5 1HG2 ILE 5 2.269 -9.118 -4.483 34 HG22 ILE 5 2HG2 ILE 5 2.167 -8.856 -2.742 35 HG23 ILE 5 3HG2 ILE 5 1.314 -7.779 -3.848 36 HD11 ILE 5 1HD1 ILE 5 1.426 -11.735 -4.978 37 HD12 ILE 5 2HD1 ILE 5 1.993 -12.743 -3.647 38 HD13 ILE 5 3HD1 ILE 5 2.740 -11.174 -3.945 39 H LEU 6 H LEU 6 -2.123 -9.150 -4.739 40 HA LEU 6 HA LEU 6 -1.947 -6.552 -5.749 41 HB2 LEU 6 2HB LEU 6 -3.659 -8.912 -6.158 42 HB3 LEU 6 1HB LEU 6 -4.472 -7.382 -6.502 43 HG LEU 6 HG LEU 6 -1.707 -7.913 -7.587 44 HD11 LEU 6 1HD1 LEU 6 -3.080 -9.833 -8.270 45 HD12 LEU 6 2HD1 LEU 6 -2.773 -8.778 -9.649 46 HD13 LEU 6 3HD1 LEU 6 -4.341 -8.742 -8.844 47 HD21 LEU 6 1HD2 LEU 6 -2.530 -6.356 -9.349 48 HD22 LEU 6 2HD2 LEU 6 -2.609 -5.630 -7.743 49 HD23 LEU 6 3HD2 LEU 6 -4.075 -6.246 -8.506 50 H LYS 7 H LYS 7 -4.210 -7.965 -3.419 51 HA LYS 7 HA LYS 7 -5.857 -5.658 -3.181 52 HB2 LYS 7 2HB LYS 7 -6.280 -8.148 -2.484 53 HB3 LYS 7 1HB LYS 7 -5.547 -7.635 -0.963 54 HG2 LYS 7 2HG LYS 7 -7.769 -7.114 -0.553 55 HG3 LYS 7 1HG LYS 7 -7.211 -5.587 -1.216 56 HD2 LYS 7 2HD LYS 7 -8.082 -6.165 -3.412 57 HD3 LYS 7 1HD LYS 7 -8.516 -7.780 -2.854 58 HE2 LYS 7 2HE LYS 7 -10.410 -6.049 -2.931 59 HE3 LYS 7 1HE LYS 7 -10.220 -6.943 -1.423 60 HZ1 LYS 7 1HZ LYS 7 -9.179 -4.223 -1.995 61 HZ2 LYS 7 2HZ LYS 7 -8.900 -5.088 -0.562 62 HZ3 LYS 7 3HZ LYS 7 -10.476 -4.605 -0.972 63 H GLY 8 H GLY 8 -3.014 -6.841 -1.458 64 HA2 GLY 8 2HA GLY 8 -3.095 -4.680 0.483 65 HA3 GLY 8 1HA GLY 8 -1.858 -5.928 0.353 66 H ALA 9 H ALA 9 -1.812 -5.214 -2.655 67 HA ALA 9 HA ALA 9 0.504 -3.643 -2.638 68 HB1 ALA 9 1HB ALA 9 -0.171 -5.069 -4.536 69 HB2 ALA 9 2HB ALA 9 0.159 -3.415 -5.054 70 HB3 ALA 9 3HB ALA 9 -1.507 -3.969 -4.878 71 H ALA 10 H ALA 10 -2.895 -2.736 -3.005 72 HA ALA 10 HA ALA 10 -2.559 -0.054 -3.732 73 HB1 ALA 10 1HB ALA 10 -4.716 -1.455 -2.151 74 HB2 ALA 10 2HB ALA 10 -4.750 -0.975 -3.848 75 HB3 ALA 10 3HB ALA 10 -4.813 0.252 -2.582 76 H LYS 11 H LYS 11 -2.754 -1.537 -0.507 77 HA LYS 11 HA LYS 11 -2.472 0.906 0.900 78 HB2 LYS 11 2HB LYS 11 -3.503 -0.940 2.021 79 HB3 LYS 11 1HB LYS 11 -2.083 -1.938 1.748 80 HG2 LYS 11 2HG LYS 11 -0.756 -0.663 3.260 81 HG3 LYS 11 1HG LYS 11 -1.947 0.637 3.314 82 HD2 LYS 11 2HD LYS 11 -3.474 -0.666 4.583 83 HD3 LYS 11 1HD LYS 11 -2.609 -2.163 4.234 84 HE2 LYS 11 2HE LYS 11 -0.794 -1.570 5.653 85 HE3 LYS 11 1HE LYS 11 -1.320 0.111 5.751 86 HZ1 LYS 11 1HZ LYS 11 -2.032 -0.814 7.737 87 HZ2 LYS 11 2HZ LYS 11 -2.514 -2.274 7.014 88 HZ3 LYS 11 3HZ LYS 11 -3.428 -0.862 6.776 89 H ASP 12 H ASP 12 -0.258 -1.272 -0.565 90 HA ASP 12 HA ASP 12 2.076 -0.747 0.885 91 HB2 ASP 12 2HB ASP 12 1.710 -2.425 -1.032 92 HB3 ASP 12 1HB ASP 12 2.029 -1.070 -2.113 93 H ILE 13 H ILE 13 0.252 1.182 -1.332 94 HA ILE 13 HA ILE 13 2.397 3.125 -1.729 95 HB ILE 13 HB ILE 13 -0.504 3.223 -2.591 96 HG12 ILE 13 2HG1 ILE 13 1.941 2.520 -4.240 97 HG13 ILE 13 1HG1 ILE 13 0.903 1.297 -3.491 98 HG21 ILE 13 1HG2 ILE 13 0.480 5.433 -2.562 99 HG22 ILE 13 2HG2 ILE 13 0.433 4.887 -4.239 100 HG23 ILE 13 3HG2 ILE 13 1.949 4.840 -3.338 101 HD11 ILE 13 1HD1 ILE 13 -1.051 2.278 -4.693 102 HD12 ILE 13 2HD1 ILE 13 0.180 1.660 -5.794 103 HD13 ILE 13 3HD1 ILE 13 0.045 3.395 -5.507 104 H ALA 14 H ALA 14 -0.580 2.754 0.112 105 HA ALA 14 HA ALA 14 -0.877 5.405 0.992 106 HB1 ALA 14 1HB ALA 14 -1.568 2.924 2.572 107 HB2 ALA 14 2HB ALA 14 -2.560 3.550 1.255 108 HB3 ALA 14 3HB ALA 14 -2.309 4.519 2.706 109 H GLY 15 H GLY 15 1.330 2.911 1.909 110 HA2 GLY 15 2HA GLY 15 2.061 3.987 4.465 111 HA3 GLY 15 1HA GLY 15 2.952 2.772 3.551 112 H HIS 16 H HIS 16 3.121 4.456 1.157 113 HA HIS 16 HA HIS 16 5.550 5.815 1.774 114 HB2 HIS 16 2HB HIS 16 5.436 4.891 -0.381 115 HB3 HIS 16 1HB HIS 16 3.856 5.597 -0.678 116 HD2 HIS 16 2HD HIS 16 4.115 7.788 -2.325 117 HE1 HIS 16 1HE HIS 16 7.928 9.069 -1.042 118 HE2 HIS 16 2HE HIS 16 6.007 9.561 -2.629 119 H LEU 17 H LEU 17 2.235 6.851 1.120 120 HA LEU 17 HA LEU 17 2.776 9.625 1.068 121 HB2 LEU 17 2HB LEU 17 0.358 7.896 1.286 122 HB3 LEU 17 1HB LEU 17 0.194 9.585 1.757 123 HG LEU 17 HG LEU 17 1.625 9.144 -0.807 124 HD11 LEU 17 1HD1 LEU 17 -1.306 8.462 -0.463 125 HD12 LEU 17 2HD1 LEU 17 -0.034 7.414 -1.090 126 HD13 LEU 17 3HD1 LEU 17 -0.561 8.816 -2.021 127 HD21 LEU 17 1HD2 LEU 17 0.317 11.079 -1.476 128 HD22 LEU 17 2HD2 LEU 17 0.936 11.375 0.148 129 HD23 LEU 17 3HD2 LEU 17 -0.746 10.896 -0.079 130 H ALA 18 H ALA 18 2.039 7.354 3.591 131 HA ALA 18 HA ALA 18 1.504 9.211 5.660 132 HB1 ALA 18 1HB ALA 18 2.034 7.273 7.171 133 HB2 ALA 18 2HB ALA 18 2.476 6.349 5.735 134 HB3 ALA 18 3HB ALA 18 0.819 6.917 5.943 135 H SER 19 H SER 19 4.387 7.801 4.329 136 HA SER 19 HA SER 19 6.183 8.520 6.376 137 HB2 SER 19 2HB SER 19 6.735 6.871 4.635 138 HB3 SER 19 1HB SER 19 6.716 8.148 3.422 139 HG SER 19 HG SER 19 8.691 7.417 5.064 140 H LYS 20 H LYS 20 5.070 10.217 3.471 141 HA LYS 20 HA LYS 20 6.843 12.356 3.511 142 HB2 LYS 20 2HB LYS 20 4.632 11.472 2.042 143 HB3 LYS 20 1HB LYS 20 4.173 13.039 2.643 144 HG2 LYS 20 2HG LYS 20 6.425 13.884 1.828 145 HG3 LYS 20 1HG LYS 20 6.546 12.334 1.013 146 HD2 LYS 20 2HD LYS 20 4.400 12.789 -0.155 147 HD3 LYS 20 1HD LYS 20 4.366 14.383 0.600 148 HE2 LYS 20 2HE LYS 20 5.296 14.603 -1.636 149 HE3 LYS 20 1HE LYS 20 6.581 14.876 -0.459 150 HZ1 LYS 20 1HZ LYS 20 6.612 13.063 -2.508 151 HZ2 LYS 20 2HZ LYS 20 6.317 12.117 -1.127 152 HZ3 LYS 20 3HZ LYS 20 7.689 13.118 -1.199 153 H VAL 21 H VAL 21 3.569 12.090 4.918 154 HA VAL 21 HA VAL 21 3.775 14.652 6.204 155 HB VAL 21 HB VAL 21 1.613 13.731 5.405 156 HG11 VAL 21 1HG1 VAL 21 1.779 11.864 7.777 157 HG12 VAL 21 2HG1 VAL 21 2.240 11.359 6.150 158 HG13 VAL 21 3HG1 VAL 21 0.584 11.871 6.479 159 HG21 VAL 21 1HG2 VAL 21 1.846 15.405 7.320 160 HG22 VAL 21 2HG2 VAL 21 1.616 14.043 8.417 161 HG23 VAL 21 3HG2 VAL 21 0.338 14.491 7.288 162 H MET 22 H MET 22 4.650 11.430 6.970 163 HA MET 22 HA MET 22 4.991 12.147 9.825 164 HB2 MET 22 2HB MET 22 3.497 10.154 9.172 165 HB3 MET 22 1HB MET 22 4.999 9.337 8.738 166 HG2 MET 22 2HG MET 22 4.626 8.721 10.996 167 HG3 MET 22 1HG MET 22 5.833 10.004 11.083 168 HE1 MET 22 1HE MET 22 5.426 10.512 13.501 169 HE2 MET 22 2HE MET 22 4.439 11.937 13.809 170 HE3 MET 22 3HE MET 22 5.645 11.971 12.526 171 HN1 NH2 23 HN1 NH2 23 6.570 9.678 7.732 172 HN2 NH2 23 HN2 NH2 23 8.158 10.188 8.090 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -1.715 -16.694 -1.643 2 H2 GLY 1 2HT GLY 1 -0.800 -17.218 -0.310 3 H3 GLY 1 3HT GLY 1 -0.049 -16.381 -1.584 4 HA2 GLY 1 2HA GLY 1 -2.248 -15.045 -0.195 5 HA3 GLY 1 1HA GLY 1 -0.699 -15.172 0.640 6 H VAL 2 H VAL 2 -0.030 -15.298 -2.581 7 HA VAL 2 HA VAL 2 1.263 -12.799 -2.673 8 HB VAL 2 HB VAL 2 1.407 -13.248 -5.143 9 HG11 VAL 2 1HG1 VAL 2 3.123 -14.130 -3.680 10 HG12 VAL 2 2HG1 VAL 2 2.708 -15.385 -4.847 11 HG13 VAL 2 3HG1 VAL 2 2.085 -15.473 -3.199 12 HG21 VAL 2 1HG2 VAL 2 -0.175 -15.720 -4.369 13 HG22 VAL 2 2HG2 VAL 2 0.523 -15.397 -5.955 14 HG23 VAL 2 3HG2 VAL 2 -0.788 -14.387 -5.346 15 H VAL 3 H VAL 3 -1.973 -13.800 -3.574 16 HA VAL 3 HA VAL 3 -2.701 -11.584 -5.150 17 HB VAL 3 HB VAL 3 -4.036 -13.652 -5.016 18 HG11 VAL 3 1HG1 VAL 3 -3.688 -13.939 -2.530 19 HG12 VAL 3 2HG1 VAL 3 -5.355 -14.162 -3.059 20 HG13 VAL 3 3HG1 VAL 3 -4.871 -12.656 -2.279 21 HG21 VAL 3 1HG2 VAL 3 -5.013 -11.355 -5.615 22 HG22 VAL 3 2HG2 VAL 3 -5.683 -11.333 -3.984 23 HG23 VAL 3 3HG2 VAL 3 -6.170 -12.591 -5.121 24 H ASP 4 H ASP 4 -2.629 -12.080 -1.667 25 HA ASP 4 HA ASP 4 -4.146 -9.873 -0.846 26 HB2 ASP 4 2HB ASP 4 -3.372 -11.650 0.681 27 HB3 ASP 4 1HB ASP 4 -1.715 -11.073 0.504 28 H ILE 5 H ILE 5 -0.666 -10.129 -1.534 29 HA ILE 5 HA ILE 5 -0.036 -7.451 -0.910 30 HB ILE 5 HB ILE 5 1.406 -9.174 -2.881 31 HG12 ILE 5 2HG1 ILE 5 1.951 -9.074 0.089 32 HG13 ILE 5 1HG1 ILE 5 0.873 -10.288 -0.616 33 HG21 ILE 5 1HG2 ILE 5 2.140 -6.837 -2.762 34 HG22 ILE 5 2HG2 ILE 5 3.365 -7.897 -2.065 35 HG23 ILE 5 3HG2 ILE 5 2.299 -6.969 -1.010 36 HD11 ILE 5 1HD1 ILE 5 3.771 -9.828 -1.385 37 HD12 ILE 5 2HD1 ILE 5 2.695 -11.010 -2.129 38 HD13 ILE 5 3HD1 ILE 5 3.154 -11.180 -0.435 39 H LEU 6 H LEU 6 -0.779 -9.061 -3.924 40 HA LEU 6 HA LEU 6 -0.449 -6.876 -5.652 41 HB2 LEU 6 2HB LEU 6 -1.706 -9.537 -5.751 42 HB3 LEU 6 1HB LEU 6 -2.464 -8.355 -6.822 43 HG LEU 6 HG LEU 6 0.539 -8.646 -6.753 44 HD11 LEU 6 1HD1 LEU 6 -0.362 -10.903 -7.148 45 HD12 LEU 6 2HD1 LEU 6 0.346 -10.252 -8.626 46 HD13 LEU 6 3HD1 LEU 6 -1.405 -10.271 -8.422 47 HD21 LEU 6 1HD2 LEU 6 -0.402 -6.713 -7.934 48 HD22 LEU 6 2HD2 LEU 6 -1.478 -7.770 -8.849 49 HD23 LEU 6 3HD2 LEU 6 0.266 -7.850 -9.104 50 H LYS 7 H LYS 7 -3.413 -8.129 -4.111 51 HA LYS 7 HA LYS 7 -5.053 -5.991 -5.036 52 HB2 LYS 7 2HB LYS 7 -5.678 -8.392 -4.185 53 HB3 LYS 7 1HB LYS 7 -5.738 -7.597 -2.613 54 HG2 LYS 7 2HG LYS 7 -7.915 -7.255 -3.339 55 HG3 LYS 7 1HG LYS 7 -7.156 -5.786 -3.931 56 HD2 LYS 7 2HD LYS 7 -6.908 -6.748 -6.150 57 HD3 LYS 7 1HD LYS 7 -7.500 -8.308 -5.580 58 HE2 LYS 7 2HE LYS 7 -9.696 -7.461 -5.221 59 HE3 LYS 7 1HE LYS 7 -9.154 -5.789 -5.362 60 HZ1 LYS 7 1HZ LYS 7 -10.291 -6.701 -7.368 61 HZ2 LYS 7 2HZ LYS 7 -8.974 -7.755 -7.574 62 HZ3 LYS 7 3HZ LYS 7 -8.743 -6.074 -7.661 63 H GLY 8 H GLY 8 -3.031 -6.501 -2.238 64 HA2 GLY 8 2HA GLY 8 -4.164 -4.365 -0.672 65 HA3 GLY 8 1HA GLY 8 -2.665 -5.226 -0.337 66 H ALA 9 H ALA 9 -2.240 -4.427 -3.411 67 HA ALA 9 HA ALA 9 -0.333 -2.422 -2.943 68 HB1 ALA 9 1HB ALA 9 -1.794 -3.055 -5.517 69 HB2 ALA 9 2HB ALA 9 -0.334 -3.863 -4.944 70 HB3 ALA 9 3HB ALA 9 -0.284 -2.155 -5.379 71 H ALA 10 H ALA 10 -3.765 -2.248 -3.505 72 HA ALA 10 HA ALA 10 -3.960 0.433 -4.351 73 HB1 ALA 10 1HB ALA 10 -5.803 -1.278 -4.419 74 HB2 ALA 10 2HB ALA 10 -6.287 0.283 -3.756 75 HB3 ALA 10 3HB ALA 10 -5.975 -1.075 -2.675 76 H LYS 11 H LYS 11 -4.379 -0.961 -1.091 77 HA LYS 11 HA LYS 11 -4.519 1.566 0.186 78 HB2 LYS 11 2HB LYS 11 -5.343 -0.767 1.008 79 HB3 LYS 11 1HB LYS 11 -3.701 -0.910 1.623 80 HG2 LYS 11 2HG LYS 11 -4.003 1.286 2.796 81 HG3 LYS 11 1HG LYS 11 -5.694 1.266 2.292 82 HD2 LYS 11 2HD LYS 11 -5.981 -0.922 3.453 83 HD3 LYS 11 1HD LYS 11 -4.317 -0.804 4.028 84 HE2 LYS 11 2HE LYS 11 -6.515 1.205 4.604 85 HE3 LYS 11 1HE LYS 11 -5.916 -0.005 5.739 86 HZ1 LYS 11 1HZ LYS 11 -4.229 1.306 6.263 87 HZ2 LYS 11 2HZ LYS 11 -4.902 2.530 5.295 88 HZ3 LYS 11 3HZ LYS 11 -3.761 1.455 4.639 89 H ASP 12 H ASP 12 -1.941 -0.466 -0.808 90 HA ASP 12 HA ASP 12 0.105 0.335 0.922 91 HB2 ASP 12 2HB ASP 12 0.215 -1.474 -0.855 92 HB3 ASP 12 1HB ASP 12 0.443 -0.185 -2.037 93 H ILE 13 H ILE 13 -1.526 1.994 -1.641 94 HA ILE 13 HA ILE 13 0.399 3.956 -2.280 95 HB ILE 13 HB ILE 13 -2.621 4.187 -2.286 96 HG12 ILE 13 2HG1 ILE 13 -0.747 3.508 -4.571 97 HG13 ILE 13 1HG1 ILE 13 -1.579 2.277 -3.609 98 HG21 ILE 13 1HG2 ILE 13 -1.629 6.379 -2.458 99 HG22 ILE 13 2HG2 ILE 13 -2.109 5.894 -4.085 100 HG23 ILE 13 3HG2 ILE 13 -0.417 5.798 -3.600 101 HD11 ILE 13 1HD1 ILE 13 -2.780 2.934 -5.737 102 HD12 ILE 13 2HD1 ILE 13 -3.015 4.534 -5.032 103 HD13 ILE 13 3HD1 ILE 13 -3.739 3.119 -4.269 104 H ALA 14 H ALA 14 -2.350 4.116 -0.006 105 HA ALA 14 HA ALA 14 -1.744 6.660 1.029 106 HB1 ALA 14 1HB ALA 14 -3.223 6.047 2.890 107 HB2 ALA 14 2HB ALA 14 -3.167 4.358 2.382 108 HB3 ALA 14 3HB ALA 14 -3.926 5.566 1.345 109 H GLY 15 H GLY 15 -0.403 3.537 1.642 110 HA2 GLY 15 2HA GLY 15 0.757 4.119 4.196 111 HA3 GLY 15 1HA GLY 15 1.174 2.768 3.146 112 H HIS 16 H HIS 16 1.903 4.245 0.844 113 HA HIS 16 HA HIS 16 4.607 4.747 1.318 114 HB2 HIS 16 2HB HIS 16 3.902 4.247 -0.899 115 HB3 HIS 16 1HB HIS 16 2.795 5.610 -0.907 116 HD2 HIS 16 2HD HIS 16 3.978 7.438 -2.615 117 HE1 HIS 16 1HE HIS 16 7.918 7.164 -1.124 118 HE2 HIS 16 2HE HIS 16 6.411 8.372 -2.772 119 H LEU 17 H LEU 17 1.934 7.055 0.891 120 HA LEU 17 HA LEU 17 3.474 9.382 1.279 121 HB2 LEU 17 2HB LEU 17 0.575 8.682 1.305 122 HB3 LEU 17 1HB LEU 17 1.047 10.222 2.018 123 HG LEU 17 HG LEU 17 2.293 9.650 -0.614 124 HD11 LEU 17 1HD1 LEU 17 -0.683 10.190 -0.382 125 HD12 LEU 17 2HD1 LEU 17 0.049 8.704 -0.987 126 HD13 LEU 17 3HD1 LEU 17 0.251 10.213 -1.878 127 HD21 LEU 17 1HD2 LEU 17 1.981 11.985 -0.924 128 HD22 LEU 17 2HD2 LEU 17 2.326 11.819 0.797 129 HD23 LEU 17 3HD2 LEU 17 0.665 12.049 0.251 130 H ALA 18 H ALA 18 1.853 7.214 3.449 131 HA ALA 18 HA ALA 18 1.984 8.803 5.790 132 HB1 ALA 18 1HB ALA 18 1.936 5.786 5.584 133 HB2 ALA 18 2HB ALA 18 0.504 6.815 5.524 134 HB3 ALA 18 3HB ALA 18 1.485 6.753 6.989 135 H SER 19 H SER 19 4.172 6.621 4.203 136 HA SER 19 HA SER 19 5.991 6.272 6.321 137 HB2 SER 19 2HB SER 19 7.151 6.151 3.631 138 HB3 SER 19 1HB SER 19 7.055 4.910 4.875 139 HG SER 19 HG SER 19 5.779 4.480 2.977 140 H LYS 20 H LYS 20 5.968 8.585 3.603 141 HA LYS 20 HA LYS 20 8.446 9.784 4.425 142 HB2 LYS 20 2HB LYS 20 8.254 11.101 2.506 143 HB3 LYS 20 1HB LYS 20 7.426 9.625 2.066 144 HG2 LYS 20 2HG LYS 20 5.272 10.617 2.620 145 HG3 LYS 20 1HG LYS 20 6.107 12.086 3.061 146 HD2 LYS 20 2HD LYS 20 7.110 11.974 0.654 147 HD3 LYS 20 1HD LYS 20 5.747 10.901 0.337 148 HE2 LYS 20 2HE LYS 20 4.866 13.000 -0.215 149 HE3 LYS 20 1HE LYS 20 4.325 12.797 1.451 150 HZ1 LYS 20 1HZ LYS 20 5.373 14.677 1.908 151 HZ2 LYS 20 2HZ LYS 20 6.072 14.748 0.361 152 HZ3 LYS 20 3HZ LYS 20 6.846 13.892 1.608 153 H VAL 21 H VAL 21 5.057 10.815 4.421 154 HA VAL 21 HA VAL 21 5.396 13.319 5.592 155 HB VAL 21 HB VAL 21 3.256 12.168 4.647 156 HG11 VAL 21 1HG1 VAL 21 3.437 10.393 6.529 157 HG12 VAL 21 2HG1 VAL 21 1.844 11.072 6.188 158 HG13 VAL 21 3HG1 VAL 21 2.768 11.643 7.578 159 HG21 VAL 21 1HG2 VAL 21 3.318 14.028 7.037 160 HG22 VAL 21 2HG2 VAL 21 1.845 13.687 6.128 161 HG23 VAL 21 3HG2 VAL 21 3.212 14.469 5.333 162 H MET 22 H MET 22 5.799 10.211 6.966 163 HA MET 22 HA MET 22 5.799 11.339 9.703 164 HB2 MET 22 2HB MET 22 4.299 9.341 9.138 165 HB3 MET 22 1HB MET 22 5.789 8.406 8.998 166 HG2 MET 22 2HG MET 22 6.406 9.006 11.297 167 HG3 MET 22 1HG MET 22 4.954 9.996 11.443 168 HE1 MET 22 1HE MET 22 5.436 5.493 11.709 169 HE2 MET 22 2HE MET 22 6.518 6.772 12.257 170 HE3 MET 22 3HE MET 22 6.302 6.490 10.532 171 HN1 NH2 23 HN1 NH2 23 7.688 9.170 7.537 172 HN2 NH2 23 HN2 NH2 23 9.165 9.405 8.357 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -4.297 -15.607 -5.172 2 H2 GLY 1 2HT GLY 1 -4.975 -16.042 -3.676 3 H3 GLY 1 3HT GLY 1 -4.322 -17.234 -4.696 4 HA2 GLY 1 2HA GLY 1 -3.005 -16.176 -2.639 5 HA3 GLY 1 1HA GLY 1 -2.216 -16.843 -4.068 6 H VAL 2 H VAL 2 -2.324 -15.155 -6.000 7 HA VAL 2 HA VAL 2 -0.589 -13.058 -5.382 8 HB VAL 2 HB VAL 2 -1.254 -12.152 -7.637 9 HG11 VAL 2 1HG1 VAL 2 0.506 -13.893 -7.319 10 HG12 VAL 2 2HG1 VAL 2 -0.334 -14.055 -8.862 11 HG13 VAL 2 3HG1 VAL 2 -0.727 -15.137 -7.526 12 HG21 VAL 2 1HG2 VAL 2 -2.811 -13.535 -8.973 13 HG22 VAL 2 2HG2 VAL 2 -3.620 -12.855 -7.562 14 HG23 VAL 2 3HG2 VAL 2 -3.120 -14.547 -7.562 15 H VAL 3 H VAL 3 -4.095 -13.182 -5.426 16 HA VAL 3 HA VAL 3 -4.666 -10.436 -5.411 17 HB VAL 3 HB VAL 3 -6.378 -12.189 -5.701 18 HG11 VAL 3 1HG1 VAL 3 -6.073 -12.637 -2.719 19 HG12 VAL 3 2HG1 VAL 3 -5.400 -13.712 -3.944 20 HG13 VAL 3 3HG1 VAL 3 -7.147 -13.500 -3.821 21 HG21 VAL 3 1HG2 VAL 3 -6.969 -9.880 -4.909 22 HG22 VAL 3 2HG2 VAL 3 -6.908 -10.480 -3.251 23 HG23 VAL 3 3HG2 VAL 3 -8.109 -11.114 -4.374 24 H ASP 4 H ASP 4 -3.696 -12.621 -2.828 25 HA ASP 4 HA ASP 4 -4.272 -10.961 -0.628 26 HB2 ASP 4 2HB ASP 4 -3.599 -13.419 -0.600 27 HB3 ASP 4 1HB ASP 4 -1.936 -12.866 -0.790 28 H ILE 5 H ILE 5 -1.403 -11.218 -2.692 29 HA ILE 5 HA ILE 5 0.146 -9.341 -1.228 30 HB ILE 5 HB ILE 5 0.498 -10.034 -4.112 31 HG12 ILE 5 2HG1 ILE 5 1.689 -11.544 -1.780 32 HG13 ILE 5 1HG1 ILE 5 0.199 -12.066 -2.578 33 HG21 ILE 5 1HG2 ILE 5 1.893 -8.213 -3.203 34 HG22 ILE 5 2HG2 ILE 5 2.870 -9.628 -3.594 35 HG23 ILE 5 3HG2 ILE 5 2.444 -9.285 -1.918 36 HD11 ILE 5 1HD1 ILE 5 1.435 -12.071 -4.757 37 HD12 ILE 5 2HD1 ILE 5 2.064 -13.238 -3.594 38 HD13 ILE 5 3HD1 ILE 5 2.918 -11.719 -3.869 39 H LEU 6 H LEU 6 -1.768 -9.162 -4.149 40 HA LEU 6 HA LEU 6 -1.258 -6.522 -4.880 41 HB2 LEU 6 2HB LEU 6 -3.281 -8.554 -5.472 42 HB3 LEU 6 1HB LEU 6 -3.937 -6.915 -5.535 43 HG LEU 6 HG LEU 6 -1.331 -7.594 -6.903 44 HD11 LEU 6 1HD1 LEU 6 -4.131 -7.861 -8.039 45 HD12 LEU 6 2HD1 LEU 6 -2.997 -9.182 -7.758 46 HD13 LEU 6 3HD1 LEU 6 -2.641 -7.959 -8.978 47 HD21 LEU 6 1HD2 LEU 6 -3.484 -5.493 -7.314 48 HD22 LEU 6 2HD2 LEU 6 -2.069 -5.684 -8.348 49 HD23 LEU 6 3HD2 LEU 6 -1.869 -5.223 -6.659 50 H LYS 7 H LYS 7 -3.636 -7.823 -2.594 51 HA LYS 7 HA LYS 7 -4.972 -5.407 -2.045 52 HB2 LYS 7 2HB LYS 7 -5.557 -7.852 -1.368 53 HB3 LYS 7 1HB LYS 7 -4.558 -7.540 0.038 54 HG2 LYS 7 2HG LYS 7 -6.698 -5.561 -0.720 55 HG3 LYS 7 1HG LYS 7 -7.152 -7.043 0.117 56 HD2 LYS 7 2HD LYS 7 -6.360 -6.273 2.088 57 HD3 LYS 7 1HD LYS 7 -4.826 -5.819 1.356 58 HE2 LYS 7 2HE LYS 7 -6.002 -3.849 2.292 59 HE3 LYS 7 1HE LYS 7 -5.807 -3.718 0.545 60 HZ1 LYS 7 1HZ LYS 7 -8.241 -4.411 2.072 61 HZ2 LYS 7 2HZ LYS 7 -8.095 -4.771 0.418 62 HZ3 LYS 7 3HZ LYS 7 -8.021 -3.159 0.950 63 H GLY 8 H GLY 8 -2.112 -6.905 -0.592 64 HA2 GLY 8 2HA GLY 8 -1.784 -4.898 1.432 65 HA3 GLY 8 1HA GLY 8 -0.598 -6.113 0.966 66 H ALA 9 H ALA 9 -0.219 -5.552 -1.699 67 HA ALA 9 HA ALA 9 1.636 -3.448 -1.640 68 HB1 ALA 9 1HB ALA 9 1.748 -3.715 -4.072 69 HB2 ALA 9 2HB ALA 9 0.253 -4.651 -4.050 70 HB3 ALA 9 3HB ALA 9 1.705 -5.292 -3.282 71 H ALA 10 H ALA 10 -1.766 -3.531 -2.516 72 HA ALA 10 HA ALA 10 -1.933 -1.025 -3.796 73 HB1 ALA 10 1HB ALA 10 -3.740 -2.661 -3.925 74 HB2 ALA 10 2HB ALA 10 -4.345 -1.149 -3.249 75 HB3 ALA 10 3HB ALA 10 -4.019 -2.521 -2.189 76 H LYS 11 H LYS 11 -2.688 -1.914 -0.421 77 HA LYS 11 HA LYS 11 -3.081 0.748 0.439 78 HB2 LYS 11 2HB LYS 11 -3.878 -1.403 1.571 79 HB3 LYS 11 1HB LYS 11 -2.248 -1.499 2.224 80 HG2 LYS 11 2HG LYS 11 -2.513 0.780 3.180 81 HG3 LYS 11 1HG LYS 11 -4.177 0.803 2.594 82 HD2 LYS 11 2HD LYS 11 -4.819 -0.982 4.035 83 HD3 LYS 11 1HD LYS 11 -3.142 -1.385 4.405 84 HE2 LYS 11 2HE LYS 11 -4.405 1.275 5.116 85 HE3 LYS 11 1HE LYS 11 -4.346 -0.096 6.224 86 HZ1 LYS 11 1HZ LYS 11 -1.805 0.387 5.048 87 HZ2 LYS 11 2HZ LYS 11 -2.237 0.330 6.690 88 HZ3 LYS 11 3HZ LYS 11 -2.380 1.782 5.821 89 H ASP 12 H ASP 12 -0.284 -1.185 -0.027 90 HA ASP 12 HA ASP 12 1.538 0.040 1.707 91 HB2 ASP 12 2HB ASP 12 1.892 -2.002 0.191 92 HB3 ASP 12 1HB ASP 12 2.229 -0.843 -1.094 93 H ILE 13 H ILE 13 0.020 1.143 -1.201 94 HA ILE 13 HA ILE 13 1.895 3.245 -1.786 95 HB ILE 13 HB ILE 13 -0.975 2.851 -2.672 96 HG12 ILE 13 2HG1 ILE 13 1.600 2.324 -4.184 97 HG13 ILE 13 1HG1 ILE 13 0.741 1.067 -3.281 98 HG21 ILE 13 1HG2 ILE 13 -0.449 5.146 -3.013 99 HG22 ILE 13 2HG2 ILE 13 -0.138 4.374 -4.567 100 HG23 ILE 13 3HG2 ILE 13 1.206 4.776 -3.498 101 HD11 ILE 13 1HD1 ILE 13 -0.494 2.748 -5.485 102 HD12 ILE 13 2HD1 ILE 13 -1.258 1.403 -4.638 103 HD13 ILE 13 3HD1 ILE 13 0.119 1.108 -5.700 104 H ALA 14 H ALA 14 -1.394 3.193 -0.392 105 HA ALA 14 HA ALA 14 -1.545 5.928 0.207 106 HB1 ALA 14 1HB ALA 14 -3.425 4.205 0.258 107 HB2 ALA 14 2HB ALA 14 -3.418 5.388 1.566 108 HB3 ALA 14 3HB ALA 14 -2.827 3.751 1.854 109 H GLY 15 H GLY 15 0.115 3.331 1.766 110 HA2 GLY 15 2HA GLY 15 0.445 4.604 4.321 111 HA3 GLY 15 1HA GLY 15 1.325 3.194 3.735 112 H HIS 16 H HIS 16 2.328 4.386 1.340 113 HA HIS 16 HA HIS 16 4.747 5.451 2.210 114 HB2 HIS 16 2HB HIS 16 4.547 4.508 0.010 115 HB3 HIS 16 1HB HIS 16 3.360 5.724 -0.435 116 HD2 HIS 16 2HD HIS 16 4.809 7.289 -2.223 117 HE1 HIS 16 1HE HIS 16 8.208 7.898 0.205 118 HE2 HIS 16 2HE HIS 16 7.096 8.528 -1.989 119 H LEU 17 H LEU 17 1.841 7.124 1.044 120 HA LEU 17 HA LEU 17 2.827 9.730 1.102 121 HB2 LEU 17 2HB LEU 17 0.083 8.539 1.402 122 HB3 LEU 17 1HB LEU 17 0.340 10.277 1.497 123 HG LEU 17 HG LEU 17 1.597 10.043 -0.742 124 HD11 LEU 17 1HD1 LEU 17 0.186 7.369 -0.564 125 HD12 LEU 17 2HD1 LEU 17 1.903 7.663 -0.836 126 HD13 LEU 17 3HD1 LEU 17 0.730 8.069 -2.087 127 HD21 LEU 17 1HD2 LEU 17 -0.622 11.075 -0.564 128 HD22 LEU 17 2HD2 LEU 17 -1.382 9.483 -0.588 129 HD23 LEU 17 3HD2 LEU 17 -0.538 10.079 -2.018 130 H ALA 18 H ALA 18 1.382 7.758 3.591 131 HA ALA 18 HA ALA 18 1.213 9.751 5.596 132 HB1 ALA 18 1HB ALA 18 1.547 6.785 6.053 133 HB2 ALA 18 2HB ALA 18 0.012 7.517 5.590 134 HB3 ALA 18 3HB ALA 18 0.774 7.958 7.118 135 H SER 19 H SER 19 3.701 7.575 4.521 136 HA SER 19 HA SER 19 5.441 7.978 6.734 137 HB2 SER 19 2HB SER 19 5.871 5.991 5.590 138 HB3 SER 19 1HB SER 19 5.733 6.759 4.012 139 HG SER 19 HG SER 19 7.831 6.892 5.898 140 H LYS 20 H LYS 20 5.348 9.277 3.414 141 HA LYS 20 HA LYS 20 7.626 10.860 3.553 142 HB2 LYS 20 2HB LYS 20 5.593 10.247 1.737 143 HB3 LYS 20 1HB LYS 20 5.500 11.972 1.943 144 HG2 LYS 20 2HG LYS 20 8.011 12.040 1.596 145 HG3 LYS 20 1HG LYS 20 7.846 10.360 1.111 146 HD2 LYS 20 2HD LYS 20 6.094 11.130 -0.566 147 HD3 LYS 20 1HD LYS 20 6.621 12.775 -0.213 148 HE2 LYS 20 2HE LYS 20 8.141 10.548 -1.542 149 HE3 LYS 20 1HE LYS 20 7.961 12.228 -2.050 150 HZ1 LYS 20 1HZ LYS 20 9.482 12.953 -0.487 151 HZ2 LYS 20 2HZ LYS 20 10.168 11.490 -1.011 152 HZ3 LYS 20 3HZ LYS 20 9.338 11.560 0.469 153 H VAL 21 H VAL 21 4.209 11.740 4.117 154 HA VAL 21 HA VAL 21 4.731 14.430 4.814 155 HB VAL 21 HB VAL 21 2.499 13.533 4.136 156 HG11 VAL 21 1HG1 VAL 21 2.766 11.482 5.652 157 HG12 VAL 21 2HG1 VAL 21 1.183 12.257 5.658 158 HG13 VAL 21 3HG1 VAL 21 2.309 12.541 6.986 159 HG21 VAL 21 1HG2 VAL 21 2.470 14.834 6.875 160 HG22 VAL 21 2HG2 VAL 21 1.248 14.980 5.612 161 HG23 VAL 21 3HG2 VAL 21 2.839 15.708 5.389 162 H MET 22 H MET 22 5.183 11.501 6.513 163 HA MET 22 HA MET 22 5.209 12.837 9.133 164 HB2 MET 22 2HB MET 22 4.063 10.625 8.865 165 HB3 MET 22 1HB MET 22 5.632 9.910 8.496 166 HG2 MET 22 2HG MET 22 6.496 10.559 10.674 167 HG3 MET 22 1HG MET 22 5.009 11.434 11.040 168 HE1 MET 22 1HE MET 22 3.290 10.459 12.515 169 HE2 MET 22 2HE MET 22 4.874 10.221 13.252 170 HE3 MET 22 3HE MET 22 3.672 8.935 13.330 171 HN1 NH2 23 HN1 NH2 23 7.403 10.431 7.567 172 HN2 NH2 23 HN2 NH2 23 8.835 11.197 8.089 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -0.143 -16.696 -2.219 2 H2 GLY 1 2HT GLY 1 -1.542 -17.462 -1.634 3 H3 GLY 1 3HT GLY 1 -0.156 -17.358 -0.658 4 HA2 GLY 1 2HA GLY 1 -2.272 -15.637 -0.635 5 HA3 GLY 1 1HA GLY 1 -0.689 -15.348 0.089 6 H VAL 2 H VAL 2 -1.281 -15.720 -3.361 7 HA VAL 2 HA VAL 2 0.159 -13.379 -4.040 8 HB VAL 2 HB VAL 2 -1.801 -15.014 -5.668 9 HG11 VAL 2 1HG1 VAL 2 -1.587 -12.876 -6.728 10 HG12 VAL 2 2HG1 VAL 2 -0.499 -13.963 -7.590 11 HG13 VAL 2 3HG1 VAL 2 0.147 -12.821 -6.412 12 HG21 VAL 2 1HG2 VAL 2 0.116 -16.320 -4.915 13 HG22 VAL 2 2HG2 VAL 2 1.223 -15.041 -5.414 14 HG23 VAL 2 3HG2 VAL 2 0.319 -15.947 -6.627 15 H VAL 3 H VAL 3 -3.319 -14.077 -3.863 16 HA VAL 3 HA VAL 3 -4.264 -11.618 -4.828 17 HB VAL 3 HB VAL 3 -5.720 -13.564 -4.518 18 HG11 VAL 3 1HG1 VAL 3 -4.629 -14.343 -2.400 19 HG12 VAL 3 2HG1 VAL 3 -6.388 -14.289 -2.291 20 HG13 VAL 3 3HG1 VAL 3 -5.420 -13.015 -1.550 21 HG21 VAL 3 1HG2 VAL 3 -7.633 -12.384 -3.687 22 HG22 VAL 3 2HG2 VAL 3 -6.592 -11.165 -4.421 23 HG23 VAL 3 3HG2 VAL 3 -6.635 -11.348 -2.667 24 H ASP 4 H ASP 4 -3.025 -12.552 -1.692 25 HA ASP 4 HA ASP 4 -4.010 -10.398 -0.162 26 HB2 ASP 4 2HB ASP 4 -2.905 -12.487 0.720 27 HB3 ASP 4 1HB ASP 4 -1.360 -11.798 0.228 28 H ILE 5 H ILE 5 -1.030 -10.772 -2.055 29 HA ILE 5 HA ILE 5 0.085 -8.268 -1.372 30 HB ILE 5 HB ILE 5 0.559 -9.755 -3.920 31 HG12 ILE 5 2HG1 ILE 5 2.083 -10.164 -1.344 32 HG13 ILE 5 1HG1 ILE 5 0.700 -11.180 -1.777 33 HG21 ILE 5 1HG2 ILE 5 2.285 -7.938 -2.223 34 HG22 ILE 5 2HG2 ILE 5 1.559 -7.522 -3.776 35 HG23 ILE 5 3HG2 ILE 5 2.816 -8.756 -3.692 36 HD11 ILE 5 1HD1 ILE 5 1.822 -11.728 -3.933 37 HD12 ILE 5 2HD1 ILE 5 2.757 -12.254 -2.533 38 HD13 ILE 5 3HD1 ILE 5 3.226 -10.798 -3.410 39 H LEU 6 H LEU 6 -1.836 -9.354 -4.083 40 HA LEU 6 HA LEU 6 -1.861 -7.023 -5.608 41 HB2 LEU 6 2HB LEU 6 -3.370 -9.498 -5.481 42 HB3 LEU 6 1HB LEU 6 -4.442 -8.141 -5.850 43 HG LEU 6 HG LEU 6 -1.824 -8.575 -7.309 44 HD11 LEU 6 1HD1 LEU 6 -4.593 -9.607 -7.985 45 HD12 LEU 6 2HD1 LEU 6 -3.149 -10.573 -7.679 46 HD13 LEU 6 3HD1 LEU 6 -3.247 -9.567 -9.124 47 HD21 LEU 6 1HD2 LEU 6 -3.166 -7.250 -9.055 48 HD22 LEU 6 2HD2 LEU 6 -2.662 -6.360 -7.622 49 HD23 LEU 6 3HD2 LEU 6 -4.324 -6.929 -7.766 50 H LYS 7 H LYS 7 -3.955 -7.985 -2.910 51 HA LYS 7 HA LYS 7 -5.634 -5.694 -3.029 52 HB2 LYS 7 2HB LYS 7 -5.945 -8.018 -1.842 53 HB3 LYS 7 1HB LYS 7 -5.173 -7.194 -0.489 54 HG2 LYS 7 2HG LYS 7 -7.397 -6.661 -0.092 55 HG3 LYS 7 1HG LYS 7 -6.916 -5.282 -1.065 56 HD2 LYS 7 2HD LYS 7 -7.882 -6.248 -3.050 57 HD3 LYS 7 1HD LYS 7 -8.163 -7.786 -2.231 58 HE2 LYS 7 2HE LYS 7 -10.162 -6.138 -2.480 59 HE3 LYS 7 1HE LYS 7 -9.906 -6.915 -0.919 60 HZ1 LYS 7 1HZ LYS 7 -8.762 -4.269 -1.598 61 HZ2 LYS 7 2HZ LYS 7 -8.888 -4.991 -0.065 62 HZ3 LYS 7 3HZ LYS 7 -10.283 -4.448 -0.869 63 H GLY 8 H GLY 8 -2.505 -6.321 -1.691 64 HA2 GLY 8 2HA GLY 8 -2.547 -4.060 0.129 65 HA3 GLY 8 1HA GLY 8 -1.172 -5.107 -0.212 66 H ALA 9 H ALA 9 -1.783 -4.651 -3.181 67 HA ALA 9 HA ALA 9 0.175 -2.765 -3.743 68 HB1 ALA 9 1HB ALA 9 -2.230 -3.336 -5.488 69 HB2 ALA 9 2HB ALA 9 -0.833 -4.407 -5.363 70 HB3 ALA 9 3HB ALA 9 -0.640 -2.777 -6.009 71 H ALA 10 H ALA 10 -3.322 -2.318 -3.385 72 HA ALA 10 HA ALA 10 -3.421 0.393 -4.152 73 HB1 ALA 10 1HB ALA 10 -5.384 -1.184 -3.839 74 HB2 ALA 10 2HB ALA 10 -5.597 0.434 -3.170 75 HB3 ALA 10 3HB ALA 10 -5.213 -0.918 -2.104 76 H LYS 11 H LYS 11 -3.183 -1.103 -0.926 77 HA LYS 11 HA LYS 11 -2.956 1.346 0.466 78 HB2 LYS 11 2HB LYS 11 -3.685 -0.612 1.651 79 HB3 LYS 11 1HB LYS 11 -2.192 -1.444 1.243 80 HG2 LYS 11 2HG LYS 11 -0.886 -0.028 2.641 81 HG3 LYS 11 1HG LYS 11 -2.202 1.136 2.806 82 HD2 LYS 11 2HD LYS 11 -3.528 -0.510 4.056 83 HD3 LYS 11 1HD LYS 11 -2.245 -1.706 3.863 84 HE2 LYS 11 2HE LYS 11 -2.258 -0.469 6.089 85 HE3 LYS 11 1HE LYS 11 -0.730 -0.432 5.210 86 HZ1 LYS 11 1HZ LYS 11 -1.277 1.760 5.998 87 HZ2 LYS 11 2HZ LYS 11 -2.796 1.700 5.238 88 HZ3 LYS 11 3HZ LYS 11 -1.377 1.734 4.305 89 H ASP 12 H ASP 12 -0.713 -0.608 -1.249 90 HA ASP 12 HA ASP 12 1.702 0.130 -0.041 91 HB2 ASP 12 2HB ASP 12 1.329 -1.576 -1.910 92 HB3 ASP 12 1HB ASP 12 1.332 -0.207 -3.020 93 H ILE 13 H ILE 13 -0.519 1.887 -2.031 94 HA ILE 13 HA ILE 13 1.371 4.012 -2.665 95 HB ILE 13 HB ILE 13 -1.621 3.830 -3.097 96 HG12 ILE 13 2HG1 ILE 13 0.647 3.486 -5.084 97 HG13 ILE 13 1HG1 ILE 13 -0.166 2.127 -4.291 98 HG21 ILE 13 1HG2 ILE 13 -0.952 6.141 -3.095 99 HG22 ILE 13 2HG2 ILE 13 -1.101 5.653 -4.784 100 HG23 ILE 13 3HG2 ILE 13 0.494 5.783 -4.041 101 HD11 ILE 13 1HD1 ILE 13 -1.604 4.249 -5.912 102 HD12 ILE 13 2HD1 ILE 13 -2.298 2.768 -5.253 103 HD13 ILE 13 3HD1 ILE 13 -1.111 2.682 -6.555 104 H ALA 14 H ALA 14 -1.663 3.743 -0.798 105 HA ALA 14 HA ALA 14 -1.587 6.314 0.323 106 HB1 ALA 14 1HB ALA 14 -3.536 4.693 0.340 107 HB2 ALA 14 2HB ALA 14 -3.245 5.538 1.860 108 HB3 ALA 14 3HB ALA 14 -2.728 3.863 1.670 109 H GLY 15 H GLY 15 0.154 3.429 1.091 110 HA2 GLY 15 2HA GLY 15 0.916 4.173 3.758 111 HA3 GLY 15 1HA GLY 15 1.632 2.889 2.789 112 H HIS 16 H HIS 16 2.273 4.590 0.537 113 HA HIS 16 HA HIS 16 4.854 5.430 1.275 114 HB2 HIS 16 2HB HIS 16 4.501 4.842 -0.989 115 HB3 HIS 16 1HB HIS 16 3.159 5.968 -1.133 116 HD2 HIS 16 2HD HIS 16 3.974 8.278 -2.392 117 HE1 HIS 16 1HE HIS 16 8.010 8.258 -1.152 118 HE2 HIS 16 2HE HIS 16 6.274 9.508 -2.520 119 H LEU 17 H LEU 17 1.840 7.226 0.799 120 HA LEU 17 HA LEU 17 2.927 9.805 1.120 121 HB2 LEU 17 2HB LEU 17 0.199 8.590 1.275 122 HB3 LEU 17 1HB LEU 17 0.425 10.230 1.871 123 HG LEU 17 HG LEU 17 1.666 9.707 -0.769 124 HD11 LEU 17 1HD1 LEU 17 -1.333 9.593 -0.366 125 HD12 LEU 17 2HD1 LEU 17 -0.310 8.381 -1.136 126 HD13 LEU 17 3HD1 LEU 17 -0.574 9.938 -1.919 127 HD21 LEU 17 1HD2 LEU 17 0.780 11.914 -1.245 128 HD22 LEU 17 2HD2 LEU 17 1.462 11.948 0.381 129 HD23 LEU 17 3HD2 LEU 17 -0.284 11.840 0.158 130 H ALA 18 H ALA 18 1.724 7.427 3.357 131 HA ALA 18 HA ALA 18 1.652 9.061 5.670 132 HB1 ALA 18 1HB ALA 18 1.750 6.851 6.887 133 HB2 ALA 18 2HB ALA 18 1.912 6.071 5.315 134 HB3 ALA 18 3HB ALA 18 0.452 6.981 5.702 135 H SER 19 H SER 19 4.120 7.232 4.050 136 HA SER 19 HA SER 19 6.056 7.133 6.060 137 HB2 SER 19 2HB SER 19 7.572 6.518 4.382 138 HB3 SER 19 1HB SER 19 6.016 6.006 3.732 139 HG SER 19 HG SER 19 7.174 8.545 3.222 140 H LYS 20 H LYS 20 5.312 9.662 3.690 141 HA LYS 20 HA LYS 20 7.523 11.301 4.135 142 HB2 LYS 20 2HB LYS 20 5.208 11.250 2.561 143 HB3 LYS 20 1HB LYS 20 5.098 12.721 3.484 144 HG2 LYS 20 2HG LYS 20 7.499 13.192 2.812 145 HG3 LYS 20 1HG LYS 20 7.299 11.851 1.698 146 HD2 LYS 20 2HD LYS 20 5.361 12.991 0.663 147 HD3 LYS 20 1HD LYS 20 5.612 14.358 1.751 148 HE2 LYS 20 2HE LYS 20 6.690 14.942 -0.305 149 HE3 LYS 20 1HE LYS 20 7.979 14.503 0.816 150 HZ1 LYS 20 1HZ LYS 20 7.464 12.137 -0.239 151 HZ2 LYS 20 2HZ LYS 20 8.594 13.214 -0.911 152 HZ3 LYS 20 3HZ LYS 20 7.025 13.111 -1.556 153 H VAL 21 H VAL 21 4.228 11.476 5.527 154 HA VAL 21 HA VAL 21 4.966 13.616 7.296 155 HB VAL 21 HB VAL 21 2.659 13.293 6.349 156 HG11 VAL 21 1HG1 VAL 21 2.719 10.779 6.802 157 HG12 VAL 21 2HG1 VAL 21 1.227 11.606 7.243 158 HG13 VAL 21 3HG1 VAL 21 2.397 11.173 8.489 159 HG21 VAL 21 1HG2 VAL 21 3.139 14.709 8.348 160 HG22 VAL 21 2HG2 VAL 21 2.849 13.309 9.378 161 HG23 VAL 21 3HG2 VAL 21 1.535 13.978 8.411 162 H MET 22 H MET 22 5.082 10.188 7.408 163 HA MET 22 HA MET 22 5.065 10.011 10.304 164 HB2 MET 22 2HB MET 22 4.178 8.154 8.977 165 HB3 MET 22 1HB MET 22 5.738 7.957 8.183 166 HG2 MET 22 2HG MET 22 5.457 6.319 10.013 167 HG3 MET 22 1HG MET 22 6.788 7.424 10.349 168 HE1 MET 22 1HE MET 22 2.649 7.150 12.166 169 HE2 MET 22 2HE MET 22 3.219 6.646 10.578 170 HE3 MET 22 3HE MET 22 2.761 8.325 10.850 171 HN1 NH2 23 HN1 NH2 23 7.585 9.175 7.847 172 HN2 NH2 23 HN2 NH2 23 8.896 9.597 8.854 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -2.766 -17.677 -3.496 2 H2 GLY 1 2HT GLY 1 -2.534 -17.580 -1.815 3 H3 GLY 1 3HT GLY 1 -1.753 -16.480 -2.849 4 HA2 GLY 1 2HA GLY 1 -4.689 -16.629 -2.861 5 HA3 GLY 1 1HA GLY 1 -3.868 -15.747 -1.572 6 H VAL 2 H VAL 2 -5.279 -15.345 -4.492 7 HA VAL 2 HA VAL 2 -3.432 -13.608 -5.818 8 HB VAL 2 HB VAL 2 -6.435 -13.678 -6.156 9 HG11 VAL 2 1HG1 VAL 2 -5.251 -11.825 -7.272 10 HG12 VAL 2 2HG1 VAL 2 -5.857 -12.982 -8.458 11 HG13 VAL 2 3HG1 VAL 2 -4.147 -12.977 -8.023 12 HG21 VAL 2 1HG2 VAL 2 -4.317 -15.393 -7.495 13 HG22 VAL 2 2HG2 VAL 2 -6.044 -15.415 -7.850 14 HG23 VAL 2 3HG2 VAL 2 -5.460 -15.965 -6.280 15 H VAL 3 H VAL 3 -6.290 -13.076 -3.767 16 HA VAL 3 HA VAL 3 -6.336 -10.276 -3.883 17 HB VAL 3 HB VAL 3 -8.166 -11.596 -2.923 18 HG11 VAL 3 1HG1 VAL 3 -6.604 -13.260 -1.812 19 HG12 VAL 3 2HG1 VAL 3 -7.952 -12.721 -0.809 20 HG13 VAL 3 3HG1 VAL 3 -6.339 -12.055 -0.552 21 HG21 VAL 3 1HG2 VAL 3 -6.986 -9.865 -0.740 22 HG22 VAL 3 2HG2 VAL 3 -8.688 -10.108 -1.131 23 HG23 VAL 3 3HG2 VAL 3 -7.658 -9.180 -2.219 24 H ASP 4 H ASP 4 -4.406 -12.489 -1.953 25 HA ASP 4 HA ASP 4 -3.407 -10.724 -0.028 26 HB2 ASP 4 2HB ASP 4 -3.066 -13.204 -0.064 27 HB3 ASP 4 1HB ASP 4 -1.884 -12.977 -1.352 28 H ILE 5 H ILE 5 -2.191 -11.472 -3.284 29 HA ILE 5 HA ILE 5 0.074 -9.811 -3.188 30 HB ILE 5 HB ILE 5 -1.511 -10.490 -5.630 31 HG12 ILE 5 2HG1 ILE 5 0.774 -12.104 -4.488 32 HG13 ILE 5 1HG1 ILE 5 -0.912 -12.466 -4.092 33 HG21 ILE 5 1HG2 ILE 5 1.405 -9.841 -5.147 34 HG22 ILE 5 2HG2 ILE 5 0.235 -8.838 -6.005 35 HG23 ILE 5 3HG2 ILE 5 0.748 -10.379 -6.693 36 HD11 ILE 5 1HD1 ILE 5 -0.233 -13.842 -5.983 37 HD12 ILE 5 2HD1 ILE 5 0.318 -12.416 -6.863 38 HD13 ILE 5 3HD1 ILE 5 -1.401 -12.641 -6.537 39 H LEU 6 H LEU 6 -3.154 -9.264 -4.425 40 HA LEU 6 HA LEU 6 -2.784 -6.632 -5.335 41 HB2 LEU 6 2HB LEU 6 -5.053 -8.421 -4.761 42 HB3 LEU 6 1HB LEU 6 -5.430 -6.707 -4.565 43 HG LEU 6 HG LEU 6 -3.964 -7.676 -7.019 44 HD11 LEU 6 1HD1 LEU 6 -6.948 -7.720 -6.497 45 HD12 LEU 6 2HD1 LEU 6 -5.925 -9.068 -6.994 46 HD13 LEU 6 3HD1 LEU 6 -6.249 -7.746 -8.117 47 HD21 LEU 6 1HD2 LEU 6 -4.717 -5.638 -7.964 48 HD22 LEU 6 2HD2 LEU 6 -4.286 -5.201 -6.312 49 HD23 LEU 6 3HD2 LEU 6 -5.977 -5.439 -6.748 50 H LYS 7 H LYS 7 -3.382 -7.948 -2.155 51 HA LYS 7 HA LYS 7 -4.142 -5.516 -0.890 52 HB2 LYS 7 2HB LYS 7 -4.380 -7.998 -0.097 53 HB3 LYS 7 1HB LYS 7 -2.774 -7.732 0.579 54 HG2 LYS 7 2HG LYS 7 -4.163 -7.060 2.333 55 HG3 LYS 7 1HG LYS 7 -3.807 -5.533 1.544 56 HD2 LYS 7 2HD LYS 7 -5.932 -5.428 0.521 57 HD3 LYS 7 1HD LYS 7 -6.238 -7.148 0.769 58 HE2 LYS 7 2HE LYS 7 -7.357 -5.332 2.351 59 HE3 LYS 7 1HE LYS 7 -6.794 -6.870 3.002 60 HZ1 LYS 7 1HZ LYS 7 -4.578 -5.584 3.279 61 HZ2 LYS 7 2HZ LYS 7 -5.821 -5.370 4.417 62 HZ3 LYS 7 3HZ LYS 7 -5.565 -4.207 3.206 63 H GLY 8 H GLY 8 -1.106 -6.927 -1.800 64 HA2 GLY 8 2HA GLY 8 0.527 -5.373 -0.015 65 HA3 GLY 8 1HA GLY 8 1.089 -6.307 -1.399 66 H ALA 9 H ALA 9 -0.429 -5.122 -3.426 67 HA ALA 9 HA ALA 9 1.150 -2.919 -4.136 68 HB1 ALA 9 1HB ALA 9 -1.577 -3.768 -5.134 69 HB2 ALA 9 2HB ALA 9 -0.014 -4.201 -5.826 70 HB3 ALA 9 3HB ALA 9 -0.581 -2.532 -5.901 71 H ALA 10 H ALA 10 -2.143 -3.045 -2.796 72 HA ALA 10 HA ALA 10 -2.690 -0.299 -2.829 73 HB1 ALA 10 1HB ALA 10 -4.340 -0.790 -1.075 74 HB2 ALA 10 2HB ALA 10 -3.596 -2.367 -0.811 75 HB3 ALA 10 3HB ALA 10 -4.390 -2.011 -2.345 76 H LYS 11 H LYS 11 -1.221 -2.296 -0.273 77 HA LYS 11 HA LYS 11 -0.807 -0.138 1.513 78 HB2 LYS 11 2HB LYS 11 -0.915 -2.504 2.228 79 HB3 LYS 11 1HB LYS 11 0.624 -2.768 1.420 80 HG2 LYS 11 2HG LYS 11 1.764 -1.244 2.882 81 HG3 LYS 11 1HG LYS 11 0.242 -0.673 3.562 82 HD2 LYS 11 2HD LYS 11 1.053 -2.185 5.187 83 HD3 LYS 11 1HD LYS 11 -0.134 -3.128 4.289 84 HE2 LYS 11 2HE LYS 11 1.614 -4.176 2.968 85 HE3 LYS 11 1HE LYS 11 2.838 -3.134 3.694 86 HZ1 LYS 11 1HZ LYS 11 3.021 -5.031 4.948 87 HZ2 LYS 11 2HZ LYS 11 1.358 -5.375 4.890 88 HZ3 LYS 11 3HZ LYS 11 1.936 -4.129 5.890 89 H ASP 12 H ASP 12 0.932 -1.347 -1.191 90 HA ASP 12 HA ASP 12 3.522 -0.449 -0.628 91 HB2 ASP 12 2HB ASP 12 2.682 -1.821 -2.641 92 HB3 ASP 12 1HB ASP 12 2.270 -0.269 -3.366 93 H ILE 13 H ILE 13 0.610 1.245 -1.414 94 HA ILE 13 HA ILE 13 1.995 3.746 -2.039 95 HB ILE 13 HB ILE 13 -0.975 3.341 -1.676 96 HG12 ILE 13 2HG1 ILE 13 0.672 2.977 -4.203 97 HG13 ILE 13 1HG1 ILE 13 -0.076 1.664 -3.283 98 HG21 ILE 13 1HG2 ILE 13 -1.169 5.312 -2.998 99 HG22 ILE 13 2HG2 ILE 13 0.517 5.225 -3.511 100 HG23 ILE 13 3HG2 ILE 13 0.122 5.659 -1.847 101 HD11 ILE 13 1HD1 ILE 13 -1.503 3.947 -4.679 102 HD12 ILE 13 2HD1 ILE 13 -2.299 2.780 -3.623 103 HD13 ILE 13 3HD1 ILE 13 -1.549 2.240 -5.124 104 H ALA 14 H ALA 14 0.254 2.218 0.589 105 HA ALA 14 HA ALA 14 -0.349 4.387 2.206 106 HB1 ALA 14 1HB ALA 14 -1.010 2.048 2.691 107 HB2 ALA 14 2HB ALA 14 -0.267 2.833 4.086 108 HB3 ALA 14 3HB ALA 14 0.661 1.685 3.120 109 H GLY 15 H GLY 15 2.727 3.000 1.450 110 HA2 GLY 15 2HA GLY 15 4.169 4.121 3.666 111 HA3 GLY 15 1HA GLY 15 4.872 3.435 2.204 112 H HIS 16 H HIS 16 3.327 5.157 0.425 113 HA HIS 16 HA HIS 16 5.122 7.366 0.294 114 HB2 HIS 16 2HB HIS 16 4.241 6.433 -1.737 115 HB3 HIS 16 1HB HIS 16 2.598 6.741 -1.199 116 HD2 HIS 16 2HD HIS 16 2.249 8.563 -3.414 117 HE1 HIS 16 1HE HIS 16 4.865 11.492 -1.866 118 HE2 HIS 16 2HE HIS 16 3.103 11.022 -3.633 119 H LEU 17 H LEU 17 1.628 7.139 0.944 120 HA LEU 17 HA LEU 17 1.304 9.884 1.540 121 HB2 LEU 17 2HB LEU 17 -0.315 7.399 1.803 122 HB3 LEU 17 1HB LEU 17 -0.801 8.781 2.781 123 HG LEU 17 HG LEU 17 -0.196 9.412 -0.059 124 HD11 LEU 17 1HD1 LEU 17 -1.296 7.275 -0.406 125 HD12 LEU 17 2HD1 LEU 17 -2.431 8.566 -0.803 126 HD13 LEU 17 3HD1 LEU 17 -2.575 7.708 0.730 127 HD21 LEU 17 1HD2 LEU 17 -2.513 10.035 1.805 128 HD22 LEU 17 2HD2 LEU 17 -2.265 10.754 0.214 129 HD23 LEU 17 3HD2 LEU 17 -1.117 11.074 1.514 130 H ALA 18 H ALA 18 2.139 7.091 3.411 131 HA ALA 18 HA ALA 18 1.718 8.167 5.994 132 HB1 ALA 18 1HB ALA 18 3.382 6.361 6.674 133 HB2 ALA 18 2HB ALA 18 3.474 5.939 4.964 134 HB3 ALA 18 3HB ALA 18 1.941 5.801 5.825 135 H SER 19 H SER 19 4.322 8.307 3.697 136 HA SER 19 HA SER 19 6.331 9.271 5.416 137 HB2 SER 19 2HB SER 19 6.868 8.364 3.220 138 HB3 SER 19 1HB SER 19 5.967 9.660 2.440 139 HG SER 19 HG SER 19 8.490 9.646 3.479 140 H LYS 20 H LYS 20 3.887 10.931 3.447 141 HA LYS 20 HA LYS 20 4.801 13.539 3.789 142 HB2 LYS 20 2HB LYS 20 2.702 12.186 2.527 143 HB3 LYS 20 1HB LYS 20 1.928 13.290 3.628 144 HG2 LYS 20 2HG LYS 20 3.503 15.083 2.718 145 HG3 LYS 20 1HG LYS 20 3.853 13.906 1.462 146 HD2 LYS 20 2HD LYS 20 1.409 13.773 0.953 147 HD3 LYS 20 1HD LYS 20 1.145 15.078 2.112 148 HE2 LYS 20 2HE LYS 20 2.719 15.190 -0.471 149 HE3 LYS 20 1HE LYS 20 1.283 16.120 -0.039 150 HZ1 LYS 20 1HZ LYS 20 3.335 17.411 0.182 151 HZ2 LYS 20 2HZ LYS 20 3.909 16.305 1.336 152 HZ3 LYS 20 3HZ LYS 20 2.532 17.244 1.666 153 H VAL 21 H VAL 21 2.298 11.738 5.610 154 HA VAL 21 HA VAL 21 1.894 13.863 7.475 155 HB VAL 21 HB VAL 21 0.192 12.101 6.891 156 HG11 VAL 21 1HG1 VAL 21 1.769 10.391 8.828 157 HG12 VAL 21 2HG1 VAL 21 1.886 10.215 7.077 158 HG13 VAL 21 3HG1 VAL 21 0.349 9.928 7.891 159 HG21 VAL 21 1HG2 VAL 21 0.003 13.567 8.890 160 HG22 VAL 21 2HG2 VAL 21 0.899 12.373 9.830 161 HG23 VAL 21 3HG2 VAL 21 -0.691 11.971 9.178 162 H MET 22 H MET 22 4.141 11.274 7.221 163 HA MET 22 HA MET 22 4.867 11.358 10.052 164 HB2 MET 22 2HB MET 22 4.849 9.213 8.753 165 HB3 MET 22 1HB MET 22 6.192 9.837 7.796 166 HG2 MET 22 2HG MET 22 7.154 8.503 9.546 167 HG3 MET 22 1HG MET 22 7.442 10.188 9.980 168 HE1 MET 22 1HE MET 22 6.488 6.894 11.535 169 HE2 MET 22 2HE MET 22 6.657 7.714 13.085 170 HE3 MET 22 3HE MET 22 7.837 8.004 11.809 171 HN1 NH2 23 HN1 NH2 23 6.766 11.758 6.999 172 HN2 NH2 23 HN2 NH2 23 7.801 12.952 7.643 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -5.978 -16.687 -1.775 2 H2 GLY 1 2HT GLY 1 -6.457 -16.618 -3.404 3 H3 GLY 1 3HT GLY 1 -6.165 -15.186 -2.540 4 HA2 GLY 1 2HA GLY 1 -3.811 -16.369 -2.228 5 HA3 GLY 1 1HA GLY 1 -4.291 -17.016 -3.798 6 H VAL 2 H VAL 2 -5.568 -15.086 -5.069 7 HA VAL 2 HA VAL 2 -3.560 -13.296 -5.896 8 HB VAL 2 HB VAL 2 -5.304 -12.226 -7.222 9 HG11 VAL 2 1HG1 VAL 2 -4.440 -14.447 -7.926 10 HG12 VAL 2 2HG1 VAL 2 -6.116 -14.206 -8.417 11 HG13 VAL 2 3HG1 VAL 2 -5.743 -15.221 -7.024 12 HG21 VAL 2 1HG2 VAL 2 -7.146 -13.794 -5.396 13 HG22 VAL 2 2HG2 VAL 2 -7.678 -13.078 -6.918 14 HG23 VAL 2 3HG2 VAL 2 -7.089 -12.045 -5.617 15 H VAL 3 H VAL 3 -6.058 -13.044 -3.461 16 HA VAL 3 HA VAL 3 -6.237 -10.303 -3.091 17 HB VAL 3 HB VAL 3 -7.605 -11.964 -1.871 18 HG11 VAL 3 1HG1 VAL 3 -6.696 -13.228 -0.044 19 HG12 VAL 3 2HG1 VAL 3 -5.160 -12.365 -0.128 20 HG13 VAL 3 3HG1 VAL 3 -5.614 -13.484 -1.413 21 HG21 VAL 3 1HG2 VAL 3 -7.710 -10.736 0.200 22 HG22 VAL 3 2HG2 VAL 3 -7.247 -9.587 -1.054 23 HG23 VAL 3 3HG2 VAL 3 -6.028 -10.227 0.048 24 H ASP 4 H ASP 4 -3.755 -12.552 -1.963 25 HA ASP 4 HA ASP 4 -2.351 -10.919 -0.211 26 HB2 ASP 4 2HB ASP 4 -1.805 -13.276 -0.512 27 HB3 ASP 4 1HB ASP 4 -1.263 -12.962 -2.160 28 H ILE 5 H ILE 5 -2.148 -11.106 -3.746 29 HA ILE 5 HA ILE 5 0.014 -9.343 -4.079 30 HB ILE 5 HB ILE 5 -2.261 -9.718 -5.981 31 HG12 ILE 5 2HG1 ILE 5 0.283 -11.350 -5.832 32 HG13 ILE 5 1HG1 ILE 5 -1.243 -11.883 -5.113 33 HG21 ILE 5 1HG2 ILE 5 0.663 -9.052 -6.396 34 HG22 ILE 5 2HG2 ILE 5 -0.671 -7.904 -6.513 35 HG23 ILE 5 3HG2 ILE 5 -0.542 -9.228 -7.671 36 HD11 ILE 5 1HD1 ILE 5 -2.323 -11.616 -7.363 37 HD12 ILE 5 2HD1 ILE 5 -1.065 -12.852 -7.331 38 HD13 ILE 5 3HD1 ILE 5 -0.731 -11.271 -8.038 39 H LEU 6 H LEU 6 -3.443 -8.783 -4.239 40 HA LEU 6 HA LEU 6 -3.417 -6.039 -4.736 41 HB2 LEU 6 2HB LEU 6 -5.343 -8.027 -3.731 42 HB3 LEU 6 1HB LEU 6 -5.646 -6.386 -3.150 43 HG LEU 6 HG LEU 6 -5.088 -6.879 -6.072 44 HD11 LEU 6 1HD1 LEU 6 -6.907 -8.415 -5.505 45 HD12 LEU 6 2HD1 LEU 6 -7.549 -7.046 -6.413 46 HD13 LEU 6 3HD1 LEU 6 -7.764 -7.123 -4.664 47 HD21 LEU 6 1HD2 LEU 6 -6.705 -4.816 -4.535 48 HD22 LEU 6 2HD2 LEU 6 -6.492 -4.841 -6.286 49 HD23 LEU 6 3HD2 LEU 6 -5.105 -4.561 -5.234 50 H LYS 7 H LYS 7 -3.370 -7.793 -1.647 51 HA LYS 7 HA LYS 7 -3.441 -5.512 0.021 52 HB2 LYS 7 2HB LYS 7 -3.787 -8.036 0.573 53 HB3 LYS 7 1HB LYS 7 -2.041 -8.032 0.819 54 HG2 LYS 7 2HG LYS 7 -2.847 -7.487 2.947 55 HG3 LYS 7 1HG LYS 7 -2.488 -5.907 2.272 56 HD2 LYS 7 2HD LYS 7 -4.761 -5.421 1.882 57 HD3 LYS 7 1HD LYS 7 -5.237 -7.117 1.976 58 HE2 LYS 7 2HE LYS 7 -5.699 -5.516 4.016 59 HE3 LYS 7 1HE LYS 7 -5.127 -7.159 4.304 60 HZ1 LYS 7 1HZ LYS 7 -3.351 -4.792 4.083 61 HZ2 LYS 7 2HZ LYS 7 -2.903 -6.369 4.534 62 HZ3 LYS 7 3HZ LYS 7 -3.895 -5.439 5.553 63 H GLY 8 H GLY 8 -0.922 -6.971 -1.836 64 HA2 GLY 8 2HA GLY 8 1.258 -5.804 -0.331 65 HA3 GLY 8 1HA GLY 8 1.381 -6.648 -1.873 66 H ALA 9 H ALA 9 -0.018 -5.309 -3.635 67 HA ALA 9 HA ALA 9 1.484 -2.991 -4.178 68 HB1 ALA 9 1HB ALA 9 0.065 -2.694 -6.076 69 HB2 ALA 9 2HB ALA 9 -1.239 -3.617 -5.329 70 HB3 ALA 9 3HB ALA 9 0.234 -4.435 -5.851 71 H ALA 10 H ALA 10 -1.466 -3.515 -2.416 72 HA ALA 10 HA ALA 10 -2.483 -0.876 -2.472 73 HB1 ALA 10 1HB ALA 10 -3.694 -1.603 -0.376 74 HB2 ALA 10 2HB ALA 10 -2.822 -3.132 -0.490 75 HB3 ALA 10 3HB ALA 10 -3.932 -2.653 -1.773 76 H LYS 11 H LYS 11 -0.572 -2.582 0.019 77 HA LYS 11 HA LYS 11 -0.218 -0.322 1.662 78 HB2 LYS 11 2HB LYS 11 0.192 -2.296 2.799 79 HB3 LYS 11 1HB LYS 11 1.081 -2.987 1.450 80 HG2 LYS 11 2HG LYS 11 3.023 -1.702 1.916 81 HG3 LYS 11 1HG LYS 11 2.134 -0.606 2.974 82 HD2 LYS 11 2HD LYS 11 1.872 -2.312 4.651 83 HD3 LYS 11 1HD LYS 11 2.491 -3.555 3.564 84 HE2 LYS 11 2HE LYS 11 4.047 -1.207 4.691 85 HE3 LYS 11 1HE LYS 11 4.260 -2.908 5.110 86 HZ1 LYS 11 1HZ LYS 11 5.150 -1.452 2.769 87 HZ2 LYS 11 2HZ LYS 11 4.504 -2.991 2.454 88 HZ3 LYS 11 3HZ LYS 11 5.819 -2.820 3.517 89 H ASP 12 H ASP 12 1.353 -1.382 -1.204 90 HA ASP 12 HA ASP 12 3.829 -0.095 -0.978 91 HB2 ASP 12 2HB ASP 12 3.046 -1.663 -2.830 92 HB3 ASP 12 1HB ASP 12 2.222 -0.271 -3.530 93 H ILE 13 H ILE 13 0.624 1.121 -1.464 94 HA ILE 13 HA ILE 13 1.562 3.775 -2.281 95 HB ILE 13 HB ILE 13 -1.279 2.973 -1.652 96 HG12 ILE 13 2HG1 ILE 13 0.283 2.625 -4.234 97 HG13 ILE 13 1HG1 ILE 13 -0.420 1.334 -3.247 98 HG21 ILE 13 1HG2 ILE 13 -1.848 4.820 -3.053 99 HG22 ILE 13 2HG2 ILE 13 -0.202 4.952 -3.670 100 HG23 ILE 13 3HG2 ILE 13 -0.557 5.404 -2.003 101 HD11 ILE 13 1HD1 ILE 13 -1.876 3.459 -4.838 102 HD12 ILE 13 2HD1 ILE 13 -2.676 2.480 -3.608 103 HD13 ILE 13 3HD1 ILE 13 -1.970 1.708 -5.028 104 H ALA 14 H ALA 14 -0.273 2.298 0.394 105 HA ALA 14 HA ALA 14 -0.690 4.514 1.980 106 HB1 ALA 14 1HB ALA 14 -1.618 2.352 2.565 107 HB2 ALA 14 2HB ALA 14 -0.640 2.935 3.912 108 HB3 ALA 14 3HB ALA 14 -0.004 1.694 2.832 109 H GLY 15 H GLY 15 2.275 2.875 1.300 110 HA2 GLY 15 2HA GLY 15 3.789 3.790 3.532 111 HA3 GLY 15 1HA GLY 15 4.447 3.201 2.008 112 H HIS 16 H HIS 16 3.124 5.093 0.319 113 HA HIS 16 HA HIS 16 4.969 7.259 0.491 114 HB2 HIS 16 2HB HIS 16 4.381 6.737 -1.695 115 HB3 HIS 16 1HB HIS 16 2.682 6.560 -1.286 116 HD2 HIS 16 2HD HIS 16 1.216 8.770 -2.035 117 HE1 HIS 16 1HE HIS 16 4.338 11.613 -1.983 118 HE2 HIS 16 2HE HIS 16 1.870 11.262 -2.467 119 H LEU 17 H LEU 17 1.470 6.969 1.012 120 HA LEU 17 HA LEU 17 1.014 9.674 1.648 121 HB2 LEU 17 2HB LEU 17 -0.449 7.102 1.943 122 HB3 LEU 17 1HB LEU 17 -0.983 8.436 2.960 123 HG LEU 17 HG LEU 17 -0.518 9.140 0.110 124 HD11 LEU 17 1HD1 LEU 17 -1.515 6.938 -0.203 125 HD12 LEU 17 2HD1 LEU 17 -2.715 8.176 -0.576 126 HD13 LEU 17 3HD1 LEU 17 -2.785 7.314 0.961 127 HD21 LEU 17 1HD2 LEU 17 -1.481 10.678 1.842 128 HD22 LEU 17 2HD2 LEU 17 -2.863 9.591 1.989 129 HD23 LEU 17 3HD2 LEU 17 -2.561 10.433 0.468 130 H ALA 18 H ALA 18 2.059 6.945 3.516 131 HA ALA 18 HA ALA 18 1.656 8.036 6.099 132 HB1 ALA 18 1HB ALA 18 3.734 6.008 5.249 133 HB2 ALA 18 2HB ALA 18 2.058 5.614 5.634 134 HB3 ALA 18 3HB ALA 18 3.119 6.269 6.882 135 H SER 19 H SER 19 4.178 8.261 3.722 136 HA SER 19 HA SER 19 6.193 9.357 5.354 137 HB2 SER 19 2HB SER 19 7.349 9.839 3.350 138 HB3 SER 19 1HB SER 19 6.405 8.397 2.988 139 HG SER 19 HG SER 19 4.768 10.228 2.407 140 H LYS 20 H LYS 20 3.554 10.826 3.508 141 HA LYS 20 HA LYS 20 4.308 13.488 3.656 142 HB2 LYS 20 2HB LYS 20 2.164 11.956 2.729 143 HB3 LYS 20 1HB LYS 20 1.459 13.042 3.892 144 HG2 LYS 20 2HG LYS 20 2.737 14.915 2.741 145 HG3 LYS 20 1HG LYS 20 3.054 13.724 1.489 146 HD2 LYS 20 2HD LYS 20 0.662 13.397 1.121 147 HD3 LYS 20 1HD LYS 20 0.295 14.518 2.432 148 HE2 LYS 20 2HE LYS 20 1.496 16.315 1.177 149 HE3 LYS 20 1HE LYS 20 1.719 15.186 -0.160 150 HZ1 LYS 20 1HZ LYS 20 -0.963 15.090 0.532 151 HZ2 LYS 20 2HZ LYS 20 -0.281 15.755 -0.875 152 HZ3 LYS 20 3HZ LYS 20 -0.551 16.734 0.488 153 H VAL 21 H VAL 21 2.205 11.610 5.846 154 HA VAL 21 HA VAL 21 1.883 13.756 7.700 155 HB VAL 21 HB VAL 21 0.189 12.037 7.576 156 HG11 VAL 21 1HG1 VAL 21 1.701 10.213 6.836 157 HG12 VAL 21 2HG1 VAL 21 0.675 9.712 8.180 158 HG13 VAL 21 3HG1 VAL 21 2.366 10.122 8.468 159 HG21 VAL 21 1HG2 VAL 21 1.674 11.612 10.182 160 HG22 VAL 21 2HG2 VAL 21 -0.069 11.565 9.911 161 HG23 VAL 21 3HG2 VAL 21 0.797 13.099 9.820 162 H MET 22 H MET 22 4.340 11.453 7.122 163 HA MET 22 HA MET 22 5.443 11.640 9.829 164 HB2 MET 22 2HB MET 22 5.400 9.493 8.421 165 HB3 MET 22 1HB MET 22 6.696 10.228 7.477 166 HG2 MET 22 2HG MET 22 7.752 8.902 9.179 167 HG3 MET 22 1HG MET 22 7.936 10.588 9.663 168 HE1 MET 22 1HE MET 22 7.513 7.332 11.063 169 HE2 MET 22 2HE MET 22 7.252 7.931 12.699 170 HE3 MET 22 3HE MET 22 8.527 8.632 11.705 171 HN1 NH2 23 HN1 NH2 23 7.022 11.967 6.599 172 HN2 NH2 23 HN2 NH2 23 7.952 13.327 7.040
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