NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
639080 | 6r9z | 27863 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 1 1H1 ACE 1 4.258 -0.291 -1.519 2 H2 ACE 1 2H1 ACE 1 3.961 0.610 -3.026 3 H3 ACE 1 3H1 ACE 1 5.041 1.286 -1.783 4 H GLU 2 H GLU 2 3.299 2.986 -2.469 5 HA GLU 2 HA GLU 2 1.039 2.777 -0.593 6 HB2 GLU 2 2HB GLU 2 1.336 5.075 0.065 7 HB3 GLU 2 3HB GLU 2 2.853 4.220 0.306 8 HG2 GLU 2 2HG GLU 2 3.364 5.129 -2.108 9 HG3 GLU 2 3HG GLU 2 2.156 6.332 -1.661 10 H VAL 3 H VAL 3 -0.460 4.834 -1.060 11 HA VAL 3 HA VAL 3 -0.698 5.360 -3.912 12 HB VAL 3 HB VAL 3 -1.962 3.258 -3.559 13 HG11 VAL 3 1HG1 VAL 3 -2.721 4.390 -1.177 14 HG12 VAL 3 2HG1 VAL 3 -4.183 4.526 -2.157 15 HG13 VAL 3 3HG1 VAL 3 -3.432 2.950 -1.904 16 HG21 VAL 3 1HG2 VAL 3 -3.953 3.947 -4.719 17 HG22 VAL 3 2HG2 VAL 3 -3.762 5.605 -4.150 18 HG23 VAL 3 3HG2 VAL 3 -2.600 4.924 -5.289 19 H ASN 4 H ASN 4 -1.650 7.289 -4.356 20 HA ASN 4 HA ASN 4 -3.037 8.697 -2.190 21 HB2 ASN 4 2HB ASN 4 -1.728 10.789 -3.147 22 HB3 ASN 4 3HB ASN 4 -1.017 9.765 -1.903 23 HD21 ASN 4 1HD2 ASN 4 0.784 8.610 -2.348 24 HD22 ASN 4 2HD2 ASN 4 1.627 8.677 -3.854 25 HA PRO 5 HA PRO 5 -5.876 10.020 -5.261 26 HB2 PRO 5 2HB PRO 5 -6.482 12.539 -4.449 27 HB3 PRO 5 3HB PRO 5 -7.034 11.094 -3.592 28 HG2 PRO 5 2HG PRO 5 -4.727 12.898 -2.973 29 HG3 PRO 5 3HG PRO 5 -5.918 12.186 -1.869 30 HD2 PRO 5 2HD PRO 5 -3.428 11.167 -2.181 31 HD3 PRO 5 3HD PRO 5 -4.837 10.151 -1.815 32 HA PRO 6 HA PRO 6 -4.011 12.380 -8.468 33 HB2 PRO 6 2HB PRO 6 -6.127 13.673 -9.572 34 HB3 PRO 6 3HB PRO 6 -5.861 11.935 -9.755 35 HG2 PRO 6 2HG PRO 6 -7.681 13.386 -7.872 36 HG3 PRO 6 3HG PRO 6 -7.993 11.924 -8.827 37 HD2 PRO 6 2HD PRO 6 -7.375 11.839 -6.192 38 HD3 PRO 6 3HD PRO 6 -6.900 10.559 -7.326 39 H VAL 7 H VAL 7 -2.669 13.958 -7.769 40 HA VAL 7 HA VAL 7 -3.845 16.605 -7.297 41 HB VAL 7 HB VAL 7 -1.617 15.455 -5.613 42 HG11 VAL 7 1HG1 VAL 7 -2.816 17.735 -4.452 43 HG12 VAL 7 2HG1 VAL 7 -1.171 17.560 -5.067 44 HG13 VAL 7 3HG1 VAL 7 -2.457 18.129 -6.132 45 HG21 VAL 7 1HG2 VAL 7 -3.376 14.375 -4.665 46 HG22 VAL 7 2HG2 VAL 7 -3.553 15.924 -3.840 47 HG23 VAL 7 3HG2 VAL 7 -4.555 15.553 -5.244 48 HA PRO 8 HA PRO 8 -0.366 16.648 -10.392 49 HB2 PRO 8 2HB PRO 8 -1.722 18.077 -12.260 50 HB3 PRO 8 3HB PRO 8 -1.803 16.314 -12.153 51 HG2 PRO 8 2HG PRO 8 -3.733 18.364 -11.137 52 HG3 PRO 8 3HG PRO 8 -4.062 16.836 -11.973 53 HD2 PRO 8 2HD PRO 8 -4.286 17.104 -9.288 54 HD3 PRO 8 3HD PRO 8 -3.790 15.583 -10.058 55 HN1 NH2 9 HN1 NH2 9 1.129 18.112 -9.850 56 HN2 NH2 9 HN2 NH2 9 0.855 19.803 -9.594 Start of MODEL 2 1 H1 ACE 1 1H1 ACE 1 0.000 0.000 0.000 2 H2 ACE 1 2H1 ACE 1 0.890 0.000 -1.542 3 H3 ACE 1 3H1 ACE 1 1.780 -0.000 0.000 4 H GLU 2 H GLU 2 2.622 1.842 -1.514 5 HA GLU 2 HA GLU 2 1.669 4.290 -0.296 6 HB2 GLU 2 2HB GLU 2 4.050 3.548 -1.963 7 HB3 GLU 2 3HB GLU 2 3.630 5.238 -1.724 8 HG2 GLU 2 2HG GLU 2 4.064 5.161 0.550 9 HG3 GLU 2 3HG GLU 2 3.925 3.405 0.617 10 H VAL 3 H VAL 3 -0.174 5.021 -1.202 11 HA VAL 3 HA VAL 3 -0.054 5.781 -4.026 12 HB VAL 3 HB VAL 3 -1.280 3.686 -4.045 13 HG11 VAL 3 1HG1 VAL 3 -2.003 3.802 -1.660 14 HG12 VAL 3 2HG1 VAL 3 -3.245 4.958 -2.146 15 HG13 VAL 3 3HG1 VAL 3 -3.275 3.311 -2.778 16 HG21 VAL 3 1HG2 VAL 3 -3.230 4.405 -5.203 17 HG22 VAL 3 2HG2 VAL 3 -3.264 5.936 -4.327 18 HG23 VAL 3 3HG2 VAL 3 -1.982 5.616 -5.495 19 H ASN 4 H ASN 4 -1.024 7.700 -4.489 20 HA ASN 4 HA ASN 4 -2.493 9.025 -2.307 21 HB2 ASN 4 2HB ASN 4 -1.437 11.165 -3.450 22 HB3 ASN 4 3HB ASN 4 -0.546 10.252 -2.236 23 HD21 ASN 4 1HD2 ASN 4 -1.055 10.476 -5.728 24 HD22 ASN 4 2HD2 ASN 4 0.561 10.052 -6.167 25 HA PRO 5 HA PRO 5 -5.674 9.998 -5.166 26 HB2 PRO 5 2HB PRO 5 -6.405 12.497 -4.396 27 HB3 PRO 5 3HB PRO 5 -6.768 11.054 -3.443 28 HG2 PRO 5 2HG PRO 5 -4.565 13.051 -3.093 29 HG3 PRO 5 3HG PRO 5 -5.600 12.300 -1.864 30 HD2 PRO 5 2HD PRO 5 -3.073 11.457 -2.354 31 HD3 PRO 5 3HD PRO 5 -4.363 10.355 -1.830 32 HA PRO 6 HA PRO 6 -4.275 12.350 -8.607 33 HB2 PRO 6 2HB PRO 6 -6.571 13.432 -9.570 34 HB3 PRO 6 3HB PRO 6 -6.187 11.713 -9.711 35 HG2 PRO 6 2HG PRO 6 -7.950 13.104 -7.731 36 HG3 PRO 6 3HG PRO 6 -8.226 11.583 -8.601 37 HD2 PRO 6 2HD PRO 6 -7.384 11.658 -6.028 38 HD3 PRO 6 3HD PRO 6 -6.907 10.369 -7.152 39 H VAL 7 H VAL 7 -3.025 13.914 -7.457 40 HA VAL 7 HA VAL 7 -4.268 16.577 -7.444 41 HB VAL 7 HB VAL 7 -2.340 15.637 -5.320 42 HG11 VAL 7 1HG1 VAL 7 -4.067 18.096 -5.296 43 HG12 VAL 7 2HG1 VAL 7 -2.679 17.716 -4.275 44 HG13 VAL 7 3HG1 VAL 7 -2.443 18.094 -5.982 45 HG21 VAL 7 1HG2 VAL 7 -4.370 14.451 -4.952 46 HG22 VAL 7 2HG2 VAL 7 -4.341 15.794 -3.809 47 HG23 VAL 7 3HG2 VAL 7 -5.341 15.892 -5.258 48 HA PRO 8 HA PRO 8 -0.319 16.479 -9.892 49 HB2 PRO 8 2HB PRO 8 -1.329 17.830 -12.019 50 HB3 PRO 8 3HB PRO 8 -1.451 16.075 -11.850 51 HG2 PRO 8 2HG PRO 8 -3.493 18.182 -11.257 52 HG3 PRO 8 3HG PRO 8 -3.702 16.619 -12.068 53 HD2 PRO 8 2HD PRO 8 -4.361 17.012 -9.471 54 HD3 PRO 8 3HD PRO 8 -3.766 15.454 -10.080 55 HN1 NH2 9 HN1 NH2 9 0.574 17.914 -8.320 56 HN2 NH2 9 HN2 NH2 9 0.480 19.633 -8.512 Start of MODEL 3 1 H1 ACE 1 1H1 ACE 1 1.381 0.507 -3.181 2 H2 ACE 1 2H1 ACE 1 1.947 0.440 -1.495 3 H3 ACE 1 3H1 ACE 1 0.260 0.885 -1.851 4 H GLU 2 H GLU 2 1.323 2.586 -0.311 5 HA GLU 2 HA GLU 2 1.689 4.820 -0.046 6 HB2 GLU 2 2HB GLU 2 3.819 3.991 -1.989 7 HB3 GLU 2 3HB GLU 2 3.670 5.675 -1.506 8 HG2 GLU 2 2HG GLU 2 3.911 3.457 0.497 9 HG3 GLU 2 3HG GLU 2 5.318 4.236 -0.224 10 H VAL 3 H VAL 3 -0.323 4.013 -2.002 11 HA VAL 3 HA VAL 3 -0.220 5.626 -4.313 12 HB VAL 3 HB VAL 3 -2.623 5.243 -4.506 13 HG11 VAL 3 1HG1 VAL 3 -1.203 3.465 -5.256 14 HG12 VAL 3 2HG1 VAL 3 -1.038 2.840 -3.614 15 HG13 VAL 3 3HG1 VAL 3 -2.595 2.754 -4.439 16 HG21 VAL 3 1HG2 VAL 3 -2.394 4.110 -1.720 17 HG22 VAL 3 2HG2 VAL 3 -3.293 5.548 -2.205 18 HG23 VAL 3 3HG2 VAL 3 -3.811 3.956 -2.758 19 H ASN 4 H ASN 4 -2.155 7.269 -4.644 20 HA ASN 4 HA ASN 4 -2.771 8.945 -2.409 21 HB2 ASN 4 2HB ASN 4 -1.596 10.955 -3.667 22 HB3 ASN 4 3HB ASN 4 -0.709 9.964 -2.513 23 HD21 ASN 4 1HD2 ASN 4 1.278 9.726 -3.227 24 HD22 ASN 4 2HD2 ASN 4 1.736 9.322 -4.843 25 HA PRO 5 HA PRO 5 -6.056 10.220 -5.022 26 HB2 PRO 5 2HB PRO 5 -6.462 12.788 -4.238 27 HB3 PRO 5 3HB PRO 5 -6.893 11.397 -3.235 28 HG2 PRO 5 2HG PRO 5 -4.476 13.157 -3.094 29 HG3 PRO 5 3HG PRO 5 -5.480 12.527 -1.775 30 HD2 PRO 5 2HD PRO 5 -3.101 11.424 -2.450 31 HD3 PRO 5 3HD PRO 5 -4.451 10.465 -1.808 32 HA PRO 6 HA PRO 6 -4.704 12.387 -8.602 33 HB2 PRO 6 2HB PRO 6 -6.947 13.694 -9.396 34 HB3 PRO 6 3HB PRO 6 -6.754 11.943 -9.540 35 HG2 PRO 6 2HG PRO 6 -8.200 13.524 -7.449 36 HG3 PRO 6 3HG PRO 6 -8.699 12.034 -8.269 37 HD2 PRO 6 2HD PRO 6 -7.650 12.041 -5.773 38 HD3 PRO 6 3HD PRO 6 -7.400 10.701 -6.910 39 H VAL 7 H VAL 7 -3.236 13.799 -7.435 40 HA VAL 7 HA VAL 7 -4.147 16.591 -7.499 41 HB VAL 7 HB VAL 7 -2.412 15.433 -5.314 42 HG11 VAL 7 1HG1 VAL 7 -3.195 18.187 -6.092 43 HG12 VAL 7 2HG1 VAL 7 -3.122 17.811 -4.370 44 HG13 VAL 7 3HG1 VAL 7 -1.694 17.593 -5.383 45 HG21 VAL 7 1HG2 VAL 7 -4.303 15.866 -3.828 46 HG22 VAL 7 2HG2 VAL 7 -5.270 16.395 -5.205 47 HG23 VAL 7 3HG2 VAL 7 -4.739 14.717 -5.093 48 HA PRO 8 HA PRO 8 -0.219 15.930 -9.897 49 HB2 PRO 8 2HB PRO 8 -1.044 17.314 -12.083 50 HB3 PRO 8 3HB PRO 8 -1.376 15.593 -11.854 51 HG2 PRO 8 2HG PRO 8 -3.157 17.948 -11.361 52 HG3 PRO 8 3HG PRO 8 -3.543 16.393 -12.119 53 HD2 PRO 8 2HD PRO 8 -4.172 16.955 -9.546 54 HD3 PRO 8 3HD PRO 8 -3.763 15.316 -10.092 55 HN1 NH2 9 HN1 NH2 9 0.955 17.280 -8.509 56 HN2 NH2 9 HN2 NH2 9 1.019 18.999 -8.709 Start of MODEL 4 1 H1 ACE 1 1H1 ACE 1 2.420 0.585 -3.984 2 H2 ACE 1 2H1 ACE 1 3.391 1.930 -4.629 3 H3 ACE 1 3H1 ACE 1 3.840 1.170 -3.084 4 H GLU 2 H GLU 2 3.701 3.682 -2.833 5 HA GLU 2 HA GLU 2 1.746 4.207 -0.938 6 HB2 GLU 2 2HB GLU 2 3.544 5.977 -2.563 7 HB3 GLU 2 3HB GLU 2 2.350 6.682 -1.482 8 HG2 GLU 2 2HG GLU 2 3.342 5.411 0.386 9 HG3 GLU 2 3HG GLU 2 4.582 4.816 -0.716 10 H VAL 3 H VAL 3 -0.370 4.439 -1.146 11 HA VAL 3 HA VAL 3 -1.506 5.186 -3.727 12 HB VAL 3 HB VAL 3 -2.883 4.256 -1.203 13 HG11 VAL 3 1HG1 VAL 3 -4.707 3.768 -3.017 14 HG12 VAL 3 2HG1 VAL 3 -4.556 5.379 -2.313 15 HG13 VAL 3 3HG1 VAL 3 -3.874 5.044 -3.904 16 HG21 VAL 3 1HG2 VAL 3 -2.057 2.263 -1.795 17 HG22 VAL 3 2HG2 VAL 3 -3.223 2.317 -3.118 18 HG23 VAL 3 3HG2 VAL 3 -1.560 2.842 -3.386 19 H ASN 4 H ASN 4 -2.481 7.080 -4.144 20 HA ASN 4 HA ASN 4 -3.430 8.799 -2.031 21 HB2 ASN 4 2HB ASN 4 -1.970 10.718 -3.121 22 HB3 ASN 4 3HB ASN 4 -1.324 9.706 -1.832 23 HD21 ASN 4 1HD2 ASN 4 0.558 8.775 -2.182 24 HD22 ASN 4 2HD2 ASN 4 1.301 8.536 -3.724 25 HA PRO 5 HA PRO 5 -6.206 10.190 -5.130 26 HB2 PRO 5 2HB PRO 5 -6.584 12.791 -4.449 27 HB3 PRO 5 3HB PRO 5 -7.239 11.446 -3.507 28 HG2 PRO 5 2HG PRO 5 -4.777 13.080 -3.021 29 HG3 PRO 5 3HG PRO 5 -6.003 12.531 -1.862 30 HD2 PRO 5 2HD PRO 5 -3.613 11.290 -2.153 31 HD3 PRO 5 3HD PRO 5 -5.095 10.417 -1.712 32 HA PRO 6 HA PRO 6 -4.211 12.207 -8.489 33 HB2 PRO 6 2HB PRO 6 -6.232 13.613 -9.632 34 HB3 PRO 6 3HB PRO 6 -6.116 11.852 -9.723 35 HG2 PRO 6 2HG PRO 6 -7.773 13.550 -7.897 36 HG3 PRO 6 3HG PRO 6 -8.224 12.071 -8.765 37 HD2 PRO 6 2HD PRO 6 -7.566 12.076 -6.138 38 HD3 PRO 6 3HD PRO 6 -7.220 10.701 -7.206 39 H VAL 7 H VAL 7 -2.778 13.604 -7.407 40 HA VAL 7 HA VAL 7 -3.679 16.407 -7.292 41 HB VAL 7 HB VAL 7 -1.649 15.173 -5.429 42 HG11 VAL 7 1HG1 VAL 7 -2.917 17.898 -5.597 43 HG12 VAL 7 2HG1 VAL 7 -2.052 17.319 -4.172 44 HG13 VAL 7 3HG1 VAL 7 -1.206 17.487 -5.710 45 HG21 VAL 7 1HG2 VAL 7 -4.593 15.616 -5.143 46 HG22 VAL 7 2HG2 VAL 7 -3.624 14.215 -4.688 47 HG23 VAL 7 3HG2 VAL 7 -3.541 15.693 -3.730 48 HA PRO 8 HA PRO 8 -0.069 15.957 -10.185 49 HB2 PRO 8 2HB PRO 8 -1.152 17.487 -12.149 50 HB3 PRO 8 3HB PRO 8 -1.455 15.751 -12.006 51 HG2 PRO 8 2HG PRO 8 -3.162 18.050 -11.132 52 HG3 PRO 8 3HG PRO 8 -3.638 16.549 -11.949 53 HD2 PRO 8 2HD PRO 8 -3.950 16.920 -9.285 54 HD3 PRO 8 3HD PRO 8 -3.610 15.328 -9.994 55 HN1 NH2 9 HN1 NH2 9 1.351 17.208 -9.003 56 HN2 NH2 9 HN2 NH2 9 1.358 18.940 -9.028 Start of MODEL 5 1 H1 ACE 1 1H1 ACE 1 2.783 0.836 -3.713 2 H2 ACE 1 2H1 ACE 1 3.005 0.560 -1.969 3 H3 ACE 1 3H1 ACE 1 1.366 0.610 -2.660 4 H GLU 2 H GLU 2 1.540 2.160 -0.670 5 HA GLU 2 HA GLU 2 1.156 4.300 0.012 6 HB2 GLU 2 2HB GLU 2 3.761 4.497 -1.461 7 HB3 GLU 2 3HB GLU 2 3.017 5.942 -0.791 8 HG2 GLU 2 2HG GLU 2 3.388 3.555 0.950 9 HG3 GLU 2 3HG GLU 2 4.770 4.585 0.582 10 H VAL 3 H VAL 3 -0.526 3.699 -1.971 11 HA VAL 3 HA VAL 3 -0.420 5.376 -4.245 12 HB VAL 3 HB VAL 3 -1.836 3.358 -4.127 13 HG11 VAL 3 1HG1 VAL 3 -2.578 4.052 -1.705 14 HG12 VAL 3 2HG1 VAL 3 -3.889 4.855 -2.571 15 HG13 VAL 3 3HG1 VAL 3 -3.650 3.116 -2.746 16 HG21 VAL 3 1HG2 VAL 3 -2.277 5.466 -5.598 17 HG22 VAL 3 2HG2 VAL 3 -3.479 4.177 -5.526 18 HG23 VAL 3 3HG2 VAL 3 -3.703 5.646 -4.576 19 H ASN 4 H ASN 4 -1.259 7.374 -4.651 20 HA ASN 4 HA ASN 4 -2.470 8.801 -2.376 21 HB2 ASN 4 2HB ASN 4 -1.313 10.853 -3.583 22 HB3 ASN 4 3HB ASN 4 -0.426 9.859 -2.431 23 HD21 ASN 4 1HD2 ASN 4 1.522 9.338 -3.073 24 HD22 ASN 4 2HD2 ASN 4 2.033 9.097 -4.706 25 HA PRO 5 HA PRO 5 -5.738 10.059 -5.019 26 HB2 PRO 5 2HB PRO 5 -6.202 12.606 -4.200 27 HB3 PRO 5 3HB PRO 5 -6.624 11.191 -3.227 28 HG2 PRO 5 2HG PRO 5 -4.241 12.992 -3.019 29 HG3 PRO 5 3HG PRO 5 -5.254 12.323 -1.726 30 HD2 PRO 5 2HD PRO 5 -2.845 11.274 -2.382 31 HD3 PRO 5 3HD PRO 5 -4.186 10.281 -1.777 32 HA PRO 6 HA PRO 6 -4.371 12.309 -8.542 33 HB2 PRO 6 2HB PRO 6 -6.626 13.588 -9.350 34 HB3 PRO 6 3HB PRO 6 -6.398 11.843 -9.519 35 HG2 PRO 6 2HG PRO 6 -7.904 13.363 -7.425 36 HG3 PRO 6 3HG PRO 6 -8.364 11.878 -8.277 37 HD2 PRO 6 2HD PRO 6 -7.353 11.863 -5.765 38 HD3 PRO 6 3HD PRO 6 -7.061 10.547 -6.920 39 H VAL 7 H VAL 7 -2.914 13.764 -7.528 40 HA VAL 7 HA VAL 7 -3.981 16.497 -7.242 41 HB VAL 7 HB VAL 7 -1.671 15.369 -5.658 42 HG11 VAL 7 1HG1 VAL 7 -1.243 17.581 -5.532 43 HG12 VAL 7 2HG1 VAL 7 -2.894 18.035 -5.958 44 HG13 VAL 7 3HG1 VAL 7 -2.512 17.540 -4.308 45 HG21 VAL 7 1HG2 VAL 7 -4.557 15.268 -5.196 46 HG22 VAL 7 2HG2 VAL 7 -3.257 14.330 -4.460 47 HG23 VAL 7 3HG2 VAL 7 -3.638 15.940 -3.849 48 HA PRO 8 HA PRO 8 -0.682 16.344 -10.524 49 HB2 PRO 8 2HB PRO 8 -2.093 17.778 -12.347 50 HB3 PRO 8 3HB PRO 8 -2.229 16.022 -12.191 51 HG2 PRO 8 2HG PRO 8 -4.024 18.164 -11.120 52 HG3 PRO 8 3HG PRO 8 -4.454 16.630 -11.897 53 HD2 PRO 8 2HD PRO 8 -4.514 16.969 -9.211 54 HD3 PRO 8 3HD PRO 8 -4.117 15.414 -9.968 55 HN1 NH2 9 HN1 NH2 9 0.348 17.742 -8.849 56 HN2 NH2 9 HN2 NH2 9 0.355 19.456 -9.097 Start of MODEL 6 1 H1 ACE 1 1H1 ACE 1 1.663 -0.781 -0.886 2 H2 ACE 1 2H1 ACE 1 2.588 0.067 -2.148 3 H3 ACE 1 3H1 ACE 1 3.216 -0.011 -0.484 4 H GLU 2 H GLU 2 3.216 2.374 -1.325 5 HA GLU 2 HA GLU 2 1.091 3.675 0.152 6 HB2 GLU 2 2HB GLU 2 2.416 5.693 -0.076 7 HB3 GLU 2 3HB GLU 2 3.443 4.366 0.446 8 HG2 GLU 2 2HG GLU 2 4.752 5.349 -1.152 9 HG3 GLU 2 3HG GLU 2 3.934 4.105 -2.096 10 H VAL 3 H VAL 3 -0.456 5.016 -0.665 11 HA VAL 3 HA VAL 3 -0.464 5.601 -3.529 12 HB VAL 3 HB VAL 3 -2.817 4.308 -2.144 13 HG11 VAL 3 1HG1 VAL 3 -2.414 5.160 -5.009 14 HG12 VAL 3 2HG1 VAL 3 -3.805 4.264 -4.396 15 HG13 VAL 3 3HG1 VAL 3 -3.498 5.909 -3.837 16 HG21 VAL 3 1HG2 VAL 3 -2.318 2.519 -3.944 17 HG22 VAL 3 2HG2 VAL 3 -0.704 3.229 -3.972 18 HG23 VAL 3 3HG2 VAL 3 -1.341 2.546 -2.476 19 H ASN 4 H ASN 4 -1.511 7.477 -4.075 20 HA ASN 4 HA ASN 4 -2.948 8.912 -1.957 21 HB2 ASN 4 2HB ASN 4 -1.713 11.008 -2.998 22 HB3 ASN 4 3HB ASN 4 -0.963 10.054 -1.722 23 HD21 ASN 4 1HD2 ASN 4 -1.003 10.739 -5.141 24 HD22 ASN 4 2HD2 ASN 4 0.556 10.080 -5.490 25 HA PRO 5 HA PRO 5 -5.844 10.031 -5.057 26 HB2 PRO 5 2HB PRO 5 -6.527 12.557 -4.333 27 HB3 PRO 5 3HB PRO 5 -7.027 11.128 -3.422 28 HG2 PRO 5 2HG PRO 5 -4.776 13.026 -2.883 29 HG3 PRO 5 3HG PRO 5 -5.938 12.317 -1.746 30 HD2 PRO 5 2HD PRO 5 -3.419 11.368 -2.036 31 HD3 PRO 5 3HD PRO 5 -4.792 10.321 -1.625 32 HA PRO 6 HA PRO 6 -4.071 12.330 -8.360 33 HB2 PRO 6 2HB PRO 6 -6.233 13.514 -9.497 34 HB3 PRO 6 3HB PRO 6 -5.913 11.780 -9.618 35 HG2 PRO 6 2HG PRO 6 -7.769 13.239 -7.778 36 HG3 PRO 6 3HG PRO 6 -8.039 11.735 -8.677 37 HD2 PRO 6 2HD PRO 6 -7.406 11.766 -6.044 38 HD3 PRO 6 3HD PRO 6 -6.895 10.460 -7.134 39 H VAL 7 H VAL 7 -2.776 13.956 -7.654 40 HA VAL 7 HA VAL 7 -3.996 16.605 -7.410 41 HB VAL 7 HB VAL 7 -1.959 15.579 -5.430 42 HG11 VAL 7 1HG1 VAL 7 -2.761 18.210 -6.197 43 HG12 VAL 7 2HG1 VAL 7 -3.270 17.911 -4.535 44 HG13 VAL 7 3HG1 VAL 7 -1.576 17.720 -4.987 45 HG21 VAL 7 1HG2 VAL 7 -4.035 16.096 -3.880 46 HG22 VAL 7 2HG2 VAL 7 -4.929 15.729 -5.355 47 HG23 VAL 7 3HG2 VAL 7 -3.840 14.528 -4.663 48 HA PRO 8 HA PRO 8 -0.212 16.484 -10.118 49 HB2 PRO 8 2HB PRO 8 -1.359 17.811 -12.190 50 HB3 PRO 8 3HB PRO 8 -1.463 16.057 -11.998 51 HG2 PRO 8 2HG PRO 8 -3.474 18.161 -11.297 52 HG3 PRO 8 3HG PRO 8 -3.725 16.590 -12.081 53 HD2 PRO 8 2HD PRO 8 -4.223 17.004 -9.451 54 HD3 PRO 8 3HD PRO 8 -3.660 15.443 -10.083 55 HN1 NH2 9 HN1 NH2 9 1.201 17.962 -9.402 56 HN2 NH2 9 HN2 NH2 9 0.924 19.669 -9.305 Start of MODEL 7 1 H1 ACE 1 1H1 ACE 1 1.698 0.534 -3.059 2 H2 ACE 1 2H1 ACE 1 1.692 0.261 -1.300 3 H3 ACE 1 3H1 ACE 1 0.199 0.764 -2.127 4 H GLU 2 H GLU 2 0.662 2.258 -0.140 5 HA GLU 2 HA GLU 2 0.889 4.429 0.507 6 HB2 GLU 2 2HB GLU 2 3.515 3.819 -0.799 7 HB3 GLU 2 3HB GLU 2 3.186 5.448 -0.226 8 HG2 GLU 2 2HG GLU 2 4.293 4.457 1.549 9 HG3 GLU 2 3HG GLU 2 2.595 4.337 2.004 10 H VAL 3 H VAL 3 -0.407 3.864 -2.070 11 HA VAL 3 HA VAL 3 0.297 5.761 -4.023 12 HB VAL 3 HB VAL 3 -1.926 5.418 -4.959 13 HG11 VAL 3 1HG1 VAL 3 -0.003 3.429 -4.489 14 HG12 VAL 3 2HG1 VAL 3 -1.573 2.659 -4.251 15 HG13 VAL 3 3HG1 VAL 3 -1.212 3.478 -5.772 16 HG21 VAL 3 1HG2 VAL 3 -3.460 3.804 -3.724 17 HG22 VAL 3 2HG2 VAL 3 -2.487 4.147 -2.293 18 HG23 VAL 3 3HG2 VAL 3 -3.363 5.450 -3.097 19 H ASN 4 H ASN 4 -1.238 7.563 -4.702 20 HA ASN 4 HA ASN 4 -2.370 8.988 -2.406 21 HB2 ASN 4 2HB ASN 4 -1.291 11.101 -3.579 22 HB3 ASN 4 3HB ASN 4 -0.379 10.145 -2.414 23 HD21 ASN 4 1HD2 ASN 4 1.639 9.990 -3.050 24 HD22 ASN 4 2HD2 ASN 4 2.180 9.681 -4.661 25 HA PRO 5 HA PRO 5 -5.641 10.102 -5.110 26 HB2 PRO 5 2HB PRO 5 -6.246 12.617 -4.288 27 HB3 PRO 5 3HB PRO 5 -6.617 11.179 -3.330 28 HG2 PRO 5 2HG PRO 5 -4.330 13.092 -3.065 29 HG3 PRO 5 3HG PRO 5 -5.335 12.366 -1.797 30 HD2 PRO 5 2HD PRO 5 -2.865 11.440 -2.408 31 HD3 PRO 5 3HD PRO 5 -4.168 10.379 -1.835 32 HA PRO 6 HA PRO 6 -4.315 12.435 -8.592 33 HB2 PRO 6 2HB PRO 6 -6.612 13.608 -9.440 34 HB3 PRO 6 3HB PRO 6 -6.296 11.877 -9.613 35 HG2 PRO 6 2HG PRO 6 -7.917 13.310 -7.544 36 HG3 PRO 6 3HG PRO 6 -8.287 11.809 -8.412 37 HD2 PRO 6 2HD PRO 6 -7.327 11.829 -5.880 38 HD3 PRO 6 3HD PRO 6 -6.948 10.535 -7.034 39 H VAL 7 H VAL 7 -2.938 13.986 -7.693 40 HA VAL 7 HA VAL 7 -4.165 16.634 -7.274 41 HB VAL 7 HB VAL 7 -1.685 15.622 -5.880 42 HG11 VAL 7 1HG1 VAL 7 -1.368 17.849 -5.725 43 HG12 VAL 7 2HG1 VAL 7 -3.064 18.220 -6.046 44 HG13 VAL 7 3HG1 VAL 7 -2.559 17.721 -4.431 45 HG21 VAL 7 1HG2 VAL 7 -4.555 15.698 -5.024 46 HG22 VAL 7 2HG2 VAL 7 -3.390 14.382 -4.888 47 HG23 VAL 7 3HG2 VAL 7 -3.251 15.794 -3.840 48 HA PRO 8 HA PRO 8 -1.102 16.785 -10.777 49 HB2 PRO 8 2HB PRO 8 -2.732 18.157 -12.460 50 HB3 PRO 8 3HB PRO 8 -2.737 16.393 -12.343 51 HG2 PRO 8 2HG PRO 8 -4.595 18.380 -11.093 52 HG3 PRO 8 3HG PRO 8 -4.973 16.837 -11.880 53 HD2 PRO 8 2HD PRO 8 -4.866 17.112 -9.188 54 HD3 PRO 8 3HD PRO 8 -4.418 15.605 -10.013 55 HN1 NH2 9 HN1 NH2 9 0.391 18.279 -10.276 56 HN2 NH2 9 HN2 NH2 9 0.094 19.970 -10.047 Start of MODEL 8 1 H1 ACE 1 1H1 ACE 1 6.400 3.860 -0.730 2 H2 ACE 1 2H1 ACE 1 5.750 5.401 -1.337 3 H3 ACE 1 3H1 ACE 1 5.433 4.901 0.342 4 H GLU 2 H GLU 2 3.278 5.534 -0.821 5 HA GLU 2 HA GLU 2 2.098 3.113 -2.000 6 HB2 GLU 2 2HB GLU 2 1.063 4.726 0.325 7 HB3 GLU 2 3HB GLU 2 0.021 3.676 -0.624 8 HG2 GLU 2 2HG GLU 2 1.101 1.747 0.090 9 HG3 GLU 2 3HG GLU 2 2.533 2.630 0.616 10 H VAL 3 H VAL 3 -0.265 3.691 -2.731 11 HA VAL 3 HA VAL 3 -0.075 5.513 -4.835 12 HB VAL 3 HB VAL 3 -2.528 5.296 -5.046 13 HG11 VAL 3 1HG1 VAL 3 -1.842 3.509 -6.190 14 HG12 VAL 3 2HG1 VAL 3 -0.613 3.112 -4.987 15 HG13 VAL 3 3HG1 VAL 3 -2.274 2.561 -4.767 16 HG21 VAL 3 1HG2 VAL 3 -2.715 3.323 -2.870 17 HG22 VAL 3 2HG2 VAL 3 -2.566 5.004 -2.357 18 HG23 VAL 3 3HG2 VAL 3 -3.886 4.521 -3.421 19 H ASN 4 H ASN 4 -1.992 7.236 -5.054 20 HA ASN 4 HA ASN 4 -2.468 8.789 -2.682 21 HB2 ASN 4 2HB ASN 4 -1.352 10.842 -3.926 22 HB3 ASN 4 3HB ASN 4 -0.402 9.786 -2.885 23 HD21 ASN 4 1HD2 ASN 4 1.190 8.556 -3.748 24 HD22 ASN 4 2HD2 ASN 4 1.656 8.612 -5.411 25 HA PRO 5 HA PRO 5 -5.908 10.231 -4.991 26 HB2 PRO 5 2HB PRO 5 -6.215 12.763 -4.061 27 HB3 PRO 5 3HB PRO 5 -6.597 11.332 -3.096 28 HG2 PRO 5 2HG PRO 5 -4.148 13.052 -3.046 29 HG3 PRO 5 3HG PRO 5 -5.066 12.372 -1.689 30 HD2 PRO 5 2HD PRO 5 -2.759 11.272 -2.583 31 HD3 PRO 5 3HD PRO 5 -4.075 10.301 -1.892 32 HA PRO 6 HA PRO 6 -4.778 12.548 -8.553 33 HB2 PRO 6 2HB PRO 6 -7.050 13.921 -9.123 34 HB3 PRO 6 3HB PRO 6 -6.896 12.176 -9.362 35 HG2 PRO 6 2HG PRO 6 -8.164 13.675 -7.101 36 HG3 PRO 6 3HG PRO 6 -8.745 12.231 -7.953 37 HD2 PRO 6 2HD PRO 6 -7.522 12.106 -5.540 38 HD3 PRO 6 3HD PRO 6 -7.374 10.819 -6.754 39 H VAL 7 H VAL 7 -3.200 13.898 -7.500 40 HA VAL 7 HA VAL 7 -4.098 16.689 -7.273 41 HB VAL 7 HB VAL 7 -2.059 15.412 -5.447 42 HG11 VAL 7 1HG1 VAL 7 -1.417 17.611 -5.514 43 HG12 VAL 7 2HG1 VAL 7 -3.051 18.193 -5.843 44 HG13 VAL 7 3HG1 VAL 7 -2.611 17.668 -4.217 45 HG21 VAL 7 1HG2 VAL 7 -4.266 14.588 -4.904 46 HG22 VAL 7 2HG2 VAL 7 -3.748 15.742 -3.675 47 HG23 VAL 7 3HG2 VAL 7 -4.912 16.229 -4.907 48 HA PRO 8 HA PRO 8 -0.535 16.196 -10.230 49 HB2 PRO 8 2HB PRO 8 -1.666 17.660 -12.216 50 HB3 PRO 8 3HB PRO 8 -1.942 15.925 -12.026 51 HG2 PRO 8 2HG PRO 8 -3.669 18.221 -11.185 52 HG3 PRO 8 3HG PRO 8 -4.136 16.694 -11.957 53 HD2 PRO 8 2HD PRO 8 -4.416 17.128 -9.299 54 HD3 PRO 8 3HD PRO 8 -4.064 15.523 -9.973 55 HN1 NH2 9 HN1 NH2 9 1.049 17.502 -9.518 56 HN2 NH2 9 HN2 NH2 9 0.969 19.230 -9.428 Start of MODEL 9 1 H1 ACE 1 1H1 ACE 1 5.294 2.466 -4.103 2 H2 ACE 1 2H1 ACE 1 5.159 4.227 -3.884 3 H3 ACE 1 3H1 ACE 1 5.654 3.195 -2.521 4 H GLU 2 H GLU 2 3.751 4.715 -1.841 5 HA GLU 2 HA GLU 2 1.442 2.963 -1.643 6 HB2 GLU 2 2HB GLU 2 0.708 4.389 0.146 7 HB3 GLU 2 3HB GLU 2 2.422 4.068 0.367 8 HG2 GLU 2 2HG GLU 2 2.991 6.243 -0.491 9 HG3 GLU 2 3HG GLU 2 1.302 6.567 -0.878 10 H VAL 3 H VAL 3 -0.619 3.452 -2.316 11 HA VAL 3 HA VAL 3 -0.880 5.092 -4.607 12 HB VAL 3 HB VAL 3 -2.280 3.112 -4.265 13 HG11 VAL 3 1HG1 VAL 3 -3.914 4.618 -2.260 14 HG12 VAL 3 2HG1 VAL 3 -3.866 2.884 -2.589 15 HG13 VAL 3 3HG1 VAL 3 -2.526 3.661 -1.745 16 HG21 VAL 3 1HG2 VAL 3 -4.293 5.281 -4.271 17 HG22 VAL 3 2HG2 VAL 3 -3.006 5.384 -5.473 18 HG23 VAL 3 3HG2 VAL 3 -4.045 3.960 -5.413 19 H ASN 4 H ASN 4 -1.435 7.167 -4.834 20 HA ASN 4 HA ASN 4 -2.417 8.603 -2.455 21 HB2 ASN 4 2HB ASN 4 -1.279 10.614 -3.745 22 HB3 ASN 4 3HB ASN 4 -0.337 9.562 -2.694 23 HD21 ASN 4 1HD2 ASN 4 1.557 9.149 -3.549 24 HD22 ASN 4 2HD2 ASN 4 1.881 8.834 -5.216 25 HA PRO 5 HA PRO 5 -5.854 10.060 -4.759 26 HB2 PRO 5 2HB PRO 5 -6.111 12.613 -3.872 27 HB3 PRO 5 3HB PRO 5 -6.508 11.206 -2.878 28 HG2 PRO 5 2HG PRO 5 -4.030 12.885 -2.880 29 HG3 PRO 5 3HG PRO 5 -4.946 12.246 -1.504 30 HD2 PRO 5 2HD PRO 5 -2.666 11.091 -2.398 31 HD3 PRO 5 3HD PRO 5 -3.992 10.155 -1.678 32 HA PRO 6 HA PRO 6 -4.719 12.294 -8.372 33 HB2 PRO 6 2HB PRO 6 -6.973 13.693 -8.947 34 HB3 PRO 6 3HB PRO 6 -6.850 11.942 -9.155 35 HG2 PRO 6 2HG PRO 6 -8.072 13.502 -6.911 36 HG3 PRO 6 3HG PRO 6 -8.685 12.053 -7.731 37 HD2 PRO 6 2HD PRO 6 -7.441 11.951 -5.327 38 HD3 PRO 6 3HD PRO 6 -7.327 10.640 -6.518 39 H VAL 7 H VAL 7 -3.102 13.658 -7.472 40 HA VAL 7 HA VAL 7 -3.894 16.466 -7.402 41 HB VAL 7 HB VAL 7 -2.153 15.287 -5.235 42 HG11 VAL 7 1HG1 VAL 7 -2.884 17.651 -4.274 43 HG12 VAL 7 2HG1 VAL 7 -1.470 17.458 -5.312 44 HG13 VAL 7 3HG1 VAL 7 -2.994 18.029 -5.993 45 HG21 VAL 7 1HG2 VAL 7 -4.163 16.002 -3.788 46 HG22 VAL 7 2HG2 VAL 7 -5.079 15.935 -5.294 47 HG23 VAL 7 3HG2 VAL 7 -4.272 14.489 -4.689 48 HA PRO 8 HA PRO 8 -0.020 15.592 -9.822 49 HB2 PRO 8 2HB PRO 8 -0.797 16.983 -12.021 50 HB3 PRO 8 3HB PRO 8 -1.205 15.282 -11.766 51 HG2 PRO 8 2HG PRO 8 -2.874 17.721 -11.293 52 HG3 PRO 8 3HG PRO 8 -3.336 16.175 -12.028 53 HD2 PRO 8 2HD PRO 8 -3.920 16.799 -9.458 54 HD3 PRO 8 3HD PRO 8 -3.589 15.136 -9.986 55 HN1 NH2 9 HN1 NH2 9 1.098 16.938 -8.318 56 HN2 NH2 9 HN2 NH2 9 1.286 18.637 -8.594 Start of MODEL 10 1 H1 ACE 1 1H1 ACE 1 3.915 0.388 -3.893 2 H2 ACE 1 2H1 ACE 1 4.723 1.975 -3.881 3 H3 ACE 1 3H1 ACE 1 4.803 0.924 -2.446 4 H GLU 2 H GLU 2 4.043 3.249 -1.805 5 HA GLU 2 HA GLU 2 1.498 2.995 -0.713 6 HB2 GLU 2 2HB GLU 2 3.258 5.394 -1.176 7 HB3 GLU 2 3HB GLU 2 1.693 5.533 -0.387 8 HG2 GLU 2 2HG GLU 2 3.770 3.615 0.600 9 HG3 GLU 2 3HG GLU 2 3.777 5.312 1.078 10 H VAL 3 H VAL 3 -0.188 4.881 -1.058 11 HA VAL 3 HA VAL 3 -0.613 5.376 -3.912 12 HB VAL 3 HB VAL 3 -1.828 3.291 -3.365 13 HG11 VAL 3 1HG1 VAL 3 -3.733 3.331 -1.869 14 HG12 VAL 3 2HG1 VAL 3 -2.275 3.808 -0.997 15 HG13 VAL 3 3HG1 VAL 3 -3.442 5.031 -1.503 16 HG21 VAL 3 1HG2 VAL 3 -3.685 5.608 -3.889 17 HG22 VAL 3 2HG2 VAL 3 -2.631 4.876 -5.098 18 HG23 VAL 3 3HG2 VAL 3 -3.924 3.927 -4.366 19 H ASN 4 H ASN 4 -1.643 7.269 -4.364 20 HA ASN 4 HA ASN 4 -2.897 8.757 -2.182 21 HB2 ASN 4 2HB ASN 4 -1.597 10.818 -3.215 22 HB3 ASN 4 3HB ASN 4 -0.863 9.814 -1.968 23 HD21 ASN 4 1HD2 ASN 4 -0.557 11.065 -5.070 24 HD22 ASN 4 2HD2 ASN 4 0.819 10.151 -5.577 25 HA PRO 5 HA PRO 5 -5.802 10.041 -5.209 26 HB2 PRO 5 2HB PRO 5 -6.367 12.581 -4.434 27 HB3 PRO 5 3HB PRO 5 -6.909 11.159 -3.534 28 HG2 PRO 5 2HG PRO 5 -4.573 12.956 -3.010 29 HG3 PRO 5 3HG PRO 5 -5.741 12.276 -1.862 30 HD2 PRO 5 2HD PRO 5 -3.269 11.230 -2.215 31 HD3 PRO 5 3HD PRO 5 -4.676 10.233 -1.793 32 HA PRO 6 HA PRO 6 -3.999 12.318 -8.510 33 HB2 PRO 6 2HB PRO 6 -6.132 13.606 -9.588 34 HB3 PRO 6 3HB PRO 6 -5.884 11.863 -9.741 35 HG2 PRO 6 2HG PRO 6 -7.645 13.367 -7.844 36 HG3 PRO 6 3HG PRO 6 -7.993 11.889 -8.759 37 HD2 PRO 6 2HD PRO 6 -7.310 11.853 -6.139 38 HD3 PRO 6 3HD PRO 6 -6.873 10.545 -7.258 39 H VAL 7 H VAL 7 -2.627 13.849 -7.681 40 HA VAL 7 HA VAL 7 -3.793 16.510 -7.180 41 HB VAL 7 HB VAL 7 -1.316 15.415 -5.844 42 HG11 VAL 7 1HG1 VAL 7 -2.916 17.841 -5.079 43 HG12 VAL 7 2HG1 VAL 7 -1.291 17.386 -4.560 44 HG13 VAL 7 3HG1 VAL 7 -1.572 17.917 -6.218 45 HG21 VAL 7 1HG2 VAL 7 -4.181 15.362 -5.053 46 HG22 VAL 7 2HG2 VAL 7 -2.904 14.182 -4.756 47 HG23 VAL 7 3HG2 VAL 7 -2.975 15.662 -3.801 48 HA PRO 8 HA PRO 8 -0.746 16.677 -10.703 49 HB2 PRO 8 2HB PRO 8 -2.372 18.076 -12.367 50 HB3 PRO 8 3HB PRO 8 -2.385 16.311 -12.271 51 HG2 PRO 8 2HG PRO 8 -4.232 18.290 -10.994 52 HG3 PRO 8 3HG PRO 8 -4.617 16.758 -11.799 53 HD2 PRO 8 2HD PRO 8 -4.506 16.999 -9.105 54 HD3 PRO 8 3HD PRO 8 -4.065 15.501 -9.949 55 HN1 NH2 9 HN1 NH2 9 0.710 18.116 -9.892 56 HN2 NH2 9 HN2 NH2 9 0.438 19.821 -9.753 Start of MODEL 11 1 H1 ACE 1 1H1 ACE 1 1.605 0.556 -2.951 2 H2 ACE 1 2H1 ACE 1 1.998 0.470 -1.217 3 H3 ACE 1 3H1 ACE 1 0.330 0.814 -1.736 4 H GLU 2 H GLU 2 1.109 2.530 -0.050 5 HA GLU 2 HA GLU 2 1.312 4.768 0.321 6 HB2 GLU 2 2HB GLU 2 3.647 4.138 -1.447 7 HB3 GLU 2 3HB GLU 2 3.336 5.803 -0.976 8 HG2 GLU 2 2HG GLU 2 3.672 5.340 1.297 9 HG3 GLU 2 3HG GLU 2 3.556 3.600 1.044 10 H VAL 3 H VAL 3 -0.448 3.873 -1.855 11 HA VAL 3 HA VAL 3 -0.296 5.553 -4.096 12 HB VAL 3 HB VAL 3 -2.652 5.053 -4.465 13 HG11 VAL 3 1HG1 VAL 3 -1.924 3.109 -5.249 14 HG12 VAL 3 2HG1 VAL 3 -0.586 3.123 -4.099 15 HG13 VAL 3 3HG1 VAL 3 -2.130 2.399 -3.648 16 HG21 VAL 3 1HG2 VAL 3 -3.763 3.525 -2.729 17 HG22 VAL 3 2HG2 VAL 3 -2.543 4.134 -1.610 18 HG23 VAL 3 3HG2 VAL 3 -3.676 5.250 -2.372 19 H ASN 4 H ASN 4 -1.683 7.370 -4.641 20 HA ASN 4 HA ASN 4 -2.731 8.906 -2.392 21 HB2 ASN 4 2HB ASN 4 -1.514 10.949 -3.555 22 HB3 ASN 4 3HB ASN 4 -0.686 9.964 -2.352 23 HD21 ASN 4 1HD2 ASN 4 -1.086 10.540 -5.786 24 HD22 ASN 4 2HD2 ASN 4 0.427 9.859 -6.267 25 HA PRO 5 HA PRO 5 -5.861 10.146 -5.206 26 HB2 PRO 5 2HB PRO 5 -6.365 12.698 -4.430 27 HB3 PRO 5 3HB PRO 5 -6.835 11.291 -3.469 28 HG2 PRO 5 2HG PRO 5 -4.466 13.093 -3.154 29 HG3 PRO 5 3HG PRO 5 -5.542 12.433 -1.909 30 HD2 PRO 5 2HD PRO 5 -3.104 11.379 -2.435 31 HD3 PRO 5 3HD PRO 5 -4.474 10.391 -1.891 32 HA PRO 6 HA PRO 6 -4.317 12.370 -8.671 33 HB2 PRO 6 2HB PRO 6 -6.527 13.643 -9.601 34 HB3 PRO 6 3HB PRO 6 -6.293 11.897 -9.746 35 HG2 PRO 6 2HG PRO 6 -7.902 13.433 -7.742 36 HG3 PRO 6 3HG PRO 6 -8.319 11.941 -8.605 37 HD2 PRO 6 2HD PRO 6 -7.436 11.945 -6.046 38 HD3 PRO 6 3HD PRO 6 -7.087 10.620 -7.174 39 H VAL 7 H VAL 7 -2.970 13.789 -7.348 40 HA VAL 7 HA VAL 7 -4.020 16.543 -7.246 41 HB VAL 7 HB VAL 7 -1.886 15.372 -5.458 42 HG11 VAL 7 1HG1 VAL 7 -2.553 17.560 -4.180 43 HG12 VAL 7 2HG1 VAL 7 -1.395 17.617 -5.511 44 HG13 VAL 7 3HG1 VAL 7 -3.074 18.088 -5.780 45 HG21 VAL 7 1HG2 VAL 7 -3.553 14.511 -4.262 46 HG22 VAL 7 2HG2 VAL 7 -4.076 16.160 -3.921 47 HG23 VAL 7 3HG2 VAL 7 -4.765 15.281 -5.285 48 HA PRO 8 HA PRO 8 -0.474 16.373 -10.248 49 HB2 PRO 8 2HB PRO 8 -1.711 17.856 -12.156 50 HB3 PRO 8 3HB PRO 8 -1.894 16.102 -12.034 51 HG2 PRO 8 2HG PRO 8 -3.724 18.269 -11.076 52 HG3 PRO 8 3HG PRO 8 -4.123 16.752 -11.903 53 HD2 PRO 8 2HD PRO 8 -4.382 17.063 -9.226 54 HD3 PRO 8 3HD PRO 8 -3.959 15.508 -9.970 55 HN1 NH2 9 HN1 NH2 9 0.634 17.706 -8.680 56 HN2 NH2 9 HN2 NH2 9 0.625 19.432 -8.830 Start of MODEL 12 1 H1 ACE 1 1H1 ACE 1 3.050 0.880 -3.384 2 H2 ACE 1 2H1 ACE 1 3.901 2.426 -3.614 3 H3 ACE 1 3H1 ACE 1 4.157 1.481 -2.127 4 H GLU 2 H GLU 2 3.575 3.878 -1.569 5 HA GLU 2 HA GLU 2 1.034 3.757 -0.291 6 HB2 GLU 2 2HB GLU 2 3.241 5.764 -0.453 7 HB3 GLU 2 3HB GLU 2 1.673 6.280 0.151 8 HG2 GLU 2 2HG GLU 2 3.046 5.687 2.008 9 HG3 GLU 2 3HG GLU 2 1.779 4.473 1.839 10 H VAL 3 H VAL 3 -0.553 3.615 -1.871 11 HA VAL 3 HA VAL 3 -0.798 5.218 -4.139 12 HB VAL 3 HB VAL 3 -3.018 3.994 -2.494 13 HG11 VAL 3 1HG1 VAL 3 -3.857 5.711 -3.997 14 HG12 VAL 3 2HG1 VAL 3 -3.003 4.966 -5.350 15 HG13 VAL 3 3HG1 VAL 3 -4.330 4.109 -4.564 16 HG21 VAL 3 1HG2 VAL 3 -2.877 2.108 -3.973 17 HG22 VAL 3 2HG2 VAL 3 -1.639 2.904 -4.945 18 HG23 VAL 3 3HG2 VAL 3 -1.277 2.405 -3.293 19 H ASN 4 H ASN 4 -1.297 7.288 -4.437 20 HA ASN 4 HA ASN 4 -2.574 8.750 -2.219 21 HB2 ASN 4 2HB ASN 4 -1.320 10.757 -3.405 22 HB3 ASN 4 3HB ASN 4 -0.494 9.739 -2.229 23 HD21 ASN 4 1HD2 ASN 4 -0.678 10.748 -5.497 24 HD22 ASN 4 2HD2 ASN 4 0.687 9.863 -6.080 25 HA PRO 5 HA PRO 5 -5.733 10.108 -4.944 26 HB2 PRO 5 2HB PRO 5 -6.131 12.671 -4.144 27 HB3 PRO 5 3HB PRO 5 -6.623 11.276 -3.177 28 HG2 PRO 5 2HG PRO 5 -4.187 12.997 -2.918 29 HG3 PRO 5 3HG PRO 5 -5.252 12.367 -1.648 30 HD2 PRO 5 2HD PRO 5 -2.865 11.234 -2.242 31 HD3 PRO 5 3HD PRO 5 -4.253 10.289 -1.666 32 HA PRO 6 HA PRO 6 -4.208 12.295 -8.440 33 HB2 PRO 6 2HB PRO 6 -6.398 13.646 -9.306 34 HB3 PRO 6 3HB PRO 6 -6.226 11.894 -9.464 35 HG2 PRO 6 2HG PRO 6 -7.729 13.473 -7.412 36 HG3 PRO 6 3HG PRO 6 -8.219 12.000 -8.270 37 HD2 PRO 6 2HD PRO 6 -7.269 11.962 -5.734 38 HD3 PRO 6 3HD PRO 6 -6.994 10.631 -6.877 39 H VAL 7 H VAL 7 -2.710 13.739 -7.569 40 HA VAL 7 HA VAL 7 -3.726 16.461 -7.067 41 HB VAL 7 HB VAL 7 -1.196 15.270 -5.927 42 HG11 VAL 7 1HG1 VAL 7 -1.050 17.659 -6.168 43 HG12 VAL 7 2HG1 VAL 7 -2.632 17.872 -5.415 44 HG13 VAL 7 3HG1 VAL 7 -1.274 17.271 -4.463 45 HG21 VAL 7 1HG2 VAL 7 -3.884 15.699 -4.626 46 HG22 VAL 7 2HG2 VAL 7 -3.112 14.149 -4.959 47 HG23 VAL 7 3HG2 VAL 7 -2.406 15.248 -3.775 48 HA PRO 8 HA PRO 8 -0.998 16.519 -10.836 49 HB2 PRO 8 2HB PRO 8 -2.682 18.042 -12.325 50 HB3 PRO 8 3HB PRO 8 -2.795 16.280 -12.248 51 HG2 PRO 8 2HG PRO 8 -4.389 18.346 -10.781 52 HG3 PRO 8 3HG PRO 8 -4.942 16.854 -11.564 53 HD2 PRO 8 2HD PRO 8 -4.566 17.043 -8.889 54 HD3 PRO 8 3HD PRO 8 -4.300 15.535 -9.787 55 HN1 NH2 9 HN1 NH2 9 0.399 17.819 -9.464 56 HN2 NH2 9 HN2 NH2 9 0.329 19.548 -9.542 Start of MODEL 13 1 H1 ACE 1 1H1 ACE 1 3.886 1.725 -5.228 2 H2 ACE 1 2H1 ACE 1 3.949 3.444 -5.685 3 H3 ACE 1 3H1 ACE 1 5.031 2.820 -4.417 4 H GLU 2 H GLU 2 3.799 4.874 -3.606 5 HA GLU 2 HA GLU 2 2.002 3.911 -1.585 6 HB2 GLU 2 2HB GLU 2 2.983 6.696 -2.230 7 HB3 GLU 2 3HB GLU 2 1.991 6.293 -0.835 8 HG2 GLU 2 2HG GLU 2 4.713 5.135 -1.389 9 HG3 GLU 2 3HG GLU 2 4.397 6.500 -0.319 10 H VAL 3 H VAL 3 -0.128 4.681 -1.187 11 HA VAL 3 HA VAL 3 -1.593 5.243 -3.656 12 HB VAL 3 HB VAL 3 -2.729 4.527 -0.952 13 HG11 VAL 3 1HG1 VAL 3 -4.584 5.238 -2.016 14 HG12 VAL 3 2HG1 VAL 3 -3.858 5.073 -3.616 15 HG13 VAL 3 3HG1 VAL 3 -4.506 3.656 -2.790 16 HG21 VAL 3 1HG2 VAL 3 -1.788 2.800 -3.218 17 HG22 VAL 3 2HG2 VAL 3 -1.437 2.657 -1.495 18 HG23 VAL 3 3HG2 VAL 3 -3.042 2.252 -2.104 19 H ASN 4 H ASN 4 -2.514 7.150 -4.070 20 HA ASN 4 HA ASN 4 -3.306 8.944 -1.953 21 HB2 ASN 4 2HB ASN 4 -1.918 10.814 -3.210 22 HB3 ASN 4 3HB ASN 4 -1.186 9.842 -1.937 23 HD21 ASN 4 1HD2 ASN 4 -1.261 10.562 -5.306 24 HD22 ASN 4 2HD2 ASN 4 0.111 9.614 -5.758 25 HA PRO 5 HA PRO 5 -6.290 10.251 -4.891 26 HB2 PRO 5 2HB PRO 5 -6.604 12.877 -4.275 27 HB3 PRO 5 3HB PRO 5 -7.196 11.570 -3.242 28 HG2 PRO 5 2HG PRO 5 -4.698 13.200 -2.991 29 HG3 PRO 5 3HG PRO 5 -5.840 12.700 -1.729 30 HD2 PRO 5 2HD PRO 5 -3.484 11.432 -2.147 31 HD3 PRO 5 3HD PRO 5 -4.935 10.586 -1.571 32 HA PRO 6 HA PRO 6 -4.531 12.138 -8.452 33 HB2 PRO 6 2HB PRO 6 -6.621 13.520 -9.495 34 HB3 PRO 6 3HB PRO 6 -6.522 11.756 -9.533 35 HG2 PRO 6 2HG PRO 6 -8.034 13.528 -7.653 36 HG3 PRO 6 3HG PRO 6 -8.554 12.024 -8.435 37 HD2 PRO 6 2HD PRO 6 -7.709 12.113 -5.864 38 HD3 PRO 6 3HD PRO 6 -7.448 10.699 -6.906 39 H VAL 7 H VAL 7 -3.084 13.529 -7.226 40 HA VAL 7 HA VAL 7 -3.777 16.356 -7.576 41 HB VAL 7 HB VAL 7 -2.424 15.317 -5.085 42 HG11 VAL 7 1HG1 VAL 7 -2.733 17.934 -6.263 43 HG12 VAL 7 2HG1 VAL 7 -3.464 17.864 -4.658 44 HG13 VAL 7 3HG1 VAL 7 -1.767 17.432 -4.875 45 HG21 VAL 7 1HG2 VAL 7 -4.647 14.593 -4.877 46 HG22 VAL 7 2HG2 VAL 7 -4.589 16.118 -3.994 47 HG23 VAL 7 3HG2 VAL 7 -5.285 16.064 -5.613 48 HA PRO 8 HA PRO 8 0.391 15.256 -9.308 49 HB2 PRO 8 2HB PRO 8 0.005 16.536 -11.671 50 HB3 PRO 8 3HB PRO 8 -0.496 14.864 -11.391 51 HG2 PRO 8 2HG PRO 8 -2.132 17.370 -11.310 52 HG3 PRO 8 3HG PRO 8 -2.530 15.796 -12.024 53 HD2 PRO 8 2HD PRO 8 -3.475 16.584 -9.611 54 HD3 PRO 8 3HD PRO 8 -3.126 14.885 -9.992 55 HN1 NH2 9 HN1 NH2 9 1.425 16.623 -7.814 56 HN2 NH2 9 HN2 NH2 9 1.669 18.311 -8.115 Start of MODEL 14 1 H1 ACE 1 1H1 ACE 1 1.495 -0.820 -1.686 2 H2 ACE 1 2H1 ACE 1 2.930 0.074 -2.241 3 H3 ACE 1 3H1 ACE 1 2.722 -0.289 -0.511 4 H GLU 2 H GLU 2 3.206 2.169 -0.852 5 HA GLU 2 HA GLU 2 1.023 3.573 0.132 6 HB2 GLU 2 2HB GLU 2 2.332 5.596 -0.238 7 HB3 GLU 2 3HB GLU 2 3.349 4.312 0.401 8 HG2 GLU 2 2HG GLU 2 4.036 3.844 -1.983 9 HG3 GLU 2 3HG GLU 2 3.234 5.354 -2.411 10 H VAL 3 H VAL 3 -0.324 5.182 -0.770 11 HA VAL 3 HA VAL 3 -0.403 5.579 -3.625 12 HB VAL 3 HB VAL 3 -1.589 3.442 -3.441 13 HG11 VAL 3 1HG1 VAL 3 -3.821 4.713 -1.941 14 HG12 VAL 3 2HG1 VAL 3 -3.336 3.019 -2.027 15 HG13 VAL 3 3HG1 VAL 3 -2.414 4.153 -1.038 16 HG21 VAL 3 1HG2 VAL 3 -3.865 5.218 -3.960 17 HG22 VAL 3 2HG2 VAL 3 -2.386 5.648 -4.819 18 HG23 VAL 3 3HG2 VAL 3 -3.082 4.039 -5.012 19 H ASN 4 H ASN 4 -1.415 7.452 -4.174 20 HA ASN 4 HA ASN 4 -3.040 8.806 -2.142 21 HB2 ASN 4 2HB ASN 4 -1.769 10.953 -3.024 22 HB3 ASN 4 3HB ASN 4 -1.106 9.980 -1.715 23 HD21 ASN 4 1HD2 ASN 4 0.836 9.071 -1.961 24 HD22 ASN 4 2HD2 ASN 4 1.767 9.106 -3.415 25 HA PRO 5 HA PRO 5 -5.696 9.951 -5.441 26 HB2 PRO 5 2HB PRO 5 -6.490 12.442 -4.712 27 HB3 PRO 5 3HB PRO 5 -7.033 10.980 -3.881 28 HG2 PRO 5 2HG PRO 5 -4.875 12.907 -3.110 29 HG3 PRO 5 3HG PRO 5 -6.111 12.144 -2.092 30 HD2 PRO 5 2HD PRO 5 -3.556 11.253 -2.197 31 HD3 PRO 5 3HD PRO 5 -4.935 10.168 -1.927 32 HA PRO 6 HA PRO 6 -3.710 12.372 -8.527 33 HB2 PRO 6 2HB PRO 6 -5.797 13.543 -9.808 34 HB3 PRO 6 3HB PRO 6 -5.430 11.820 -9.946 35 HG2 PRO 6 2HG PRO 6 -7.462 13.193 -8.229 36 HG3 PRO 6 3HG PRO 6 -7.624 11.708 -9.184 37 HD2 PRO 6 2HD PRO 6 -7.209 11.680 -6.509 38 HD3 PRO 6 3HD PRO 6 -6.583 10.415 -7.585 39 H VAL 7 H VAL 7 -2.507 14.032 -7.778 40 HA VAL 7 HA VAL 7 -3.896 16.574 -7.239 41 HB VAL 7 HB VAL 7 -1.401 15.615 -5.831 42 HG11 VAL 7 1HG1 VAL 7 -2.598 18.201 -6.142 43 HG12 VAL 7 2HG1 VAL 7 -2.645 17.717 -4.445 44 HG13 VAL 7 3HG1 VAL 7 -1.108 17.754 -5.311 45 HG21 VAL 7 1HG2 VAL 7 -4.292 15.535 -5.078 46 HG22 VAL 7 2HG2 VAL 7 -3.043 14.308 -4.864 47 HG23 VAL 7 3HG2 VAL 7 -3.063 15.735 -3.829 48 HA PRO 8 HA PRO 8 -0.774 17.049 -10.664 49 HB2 PRO 8 2HB PRO 8 -2.454 18.366 -12.342 50 HB3 PRO 8 3HB PRO 8 -2.341 16.603 -12.285 51 HG2 PRO 8 2HG PRO 8 -4.359 18.414 -11.016 52 HG3 PRO 8 3HG PRO 8 -4.612 16.878 -11.865 53 HD2 PRO 8 2HD PRO 8 -4.588 17.063 -9.164 54 HD3 PRO 8 3HD PRO 8 -4.019 15.620 -10.027 55 HN1 NH2 9 HN1 NH2 9 0.436 18.523 -9.443 56 HN2 NH2 9 HN2 NH2 9 0.081 20.218 -9.403 Start of MODEL 15 1 H1 ACE 1 1H1 ACE 1 4.451 2.927 -5.548 2 H2 ACE 1 2H1 ACE 1 3.706 4.487 -5.973 3 H3 ACE 1 3H1 ACE 1 5.076 4.434 -4.838 4 H GLU 2 H GLU 2 3.159 5.762 -3.859 5 HA GLU 2 HA GLU 2 1.843 3.944 -1.961 6 HB2 GLU 2 2HB GLU 2 2.800 6.781 -1.760 7 HB3 GLU 2 3HB GLU 2 1.567 6.182 -0.660 8 HG2 GLU 2 2HG GLU 2 3.265 4.250 -0.253 9 HG3 GLU 2 3HG GLU 2 4.433 5.403 -0.896 10 H VAL 3 H VAL 3 -0.329 3.945 -1.686 11 HA VAL 3 HA VAL 3 -1.992 4.892 -3.743 12 HB VAL 3 HB VAL 3 -2.784 4.064 -0.947 13 HG11 VAL 3 1HG1 VAL 3 -4.926 3.428 -2.256 14 HG12 VAL 3 2HG1 VAL 3 -4.670 5.113 -1.798 15 HG13 VAL 3 3HG1 VAL 3 -4.340 4.587 -3.449 16 HG21 VAL 3 1HG2 VAL 3 -2.334 2.504 -3.476 17 HG22 VAL 3 2HG2 VAL 3 -1.624 2.243 -1.882 18 HG23 VAL 3 3HG2 VAL 3 -3.330 1.890 -2.156 19 H ASN 4 H ASN 4 -2.591 6.906 -4.152 20 HA ASN 4 HA ASN 4 -3.535 8.621 -2.023 21 HB2 ASN 4 2HB ASN 4 -1.999 10.502 -3.075 22 HB3 ASN 4 3HB ASN 4 -1.401 9.453 -1.793 23 HD21 ASN 4 1HD2 ASN 4 0.698 9.290 -2.244 24 HD22 ASN 4 2HD2 ASN 4 1.352 8.724 -3.740 25 HA PRO 5 HA PRO 5 -6.231 10.144 -5.131 26 HB2 PRO 5 2HB PRO 5 -6.526 12.748 -4.422 27 HB3 PRO 5 3HB PRO 5 -7.235 11.416 -3.502 28 HG2 PRO 5 2HG PRO 5 -4.725 12.957 -2.972 29 HG3 PRO 5 3HG PRO 5 -5.980 12.437 -1.833 30 HD2 PRO 5 2HD PRO 5 -3.632 11.118 -2.115 31 HD3 PRO 5 3HD PRO 5 -5.147 10.292 -1.700 32 HA PRO 6 HA PRO 6 -4.133 12.133 -8.445 33 HB2 PRO 6 2HB PRO 6 -6.094 13.621 -9.590 34 HB3 PRO 6 3HB PRO 6 -6.037 11.858 -9.701 35 HG2 PRO 6 2HG PRO 6 -7.653 13.590 -7.871 36 HG3 PRO 6 3HG PRO 6 -8.146 12.138 -8.761 37 HD2 PRO 6 2HD PRO 6 -7.514 12.088 -6.129 38 HD3 PRO 6 3HD PRO 6 -7.206 10.715 -7.211 39 H VAL 7 H VAL 7 -2.638 13.489 -7.457 40 HA VAL 7 HA VAL 7 -3.485 16.298 -7.175 41 HB VAL 7 HB VAL 7 -1.319 14.962 -5.550 42 HG11 VAL 7 1HG1 VAL 7 -1.572 17.052 -4.173 43 HG12 VAL 7 2HG1 VAL 7 -0.873 17.286 -5.777 44 HG13 VAL 7 3HG1 VAL 7 -2.561 17.704 -5.479 45 HG21 VAL 7 1HG2 VAL 7 -3.133 15.541 -3.706 46 HG22 VAL 7 2HG2 VAL 7 -4.230 15.305 -5.067 47 HG23 VAL 7 3HG2 VAL 7 -3.145 14.005 -4.573 48 HA PRO 8 HA PRO 8 -0.126 15.918 -10.376 49 HB2 PRO 8 2HB PRO 8 -1.370 17.480 -12.215 50 HB3 PRO 8 3HB PRO 8 -1.651 15.740 -12.086 51 HG2 PRO 8 2HG PRO 8 -3.296 18.007 -11.031 52 HG3 PRO 8 3HG PRO 8 -3.827 16.520 -11.839 53 HD2 PRO 8 2HD PRO 8 -3.929 16.833 -9.151 54 HD3 PRO 8 3HD PRO 8 -3.637 15.259 -9.919 55 HN1 NH2 9 HN1 NH2 9 1.181 17.169 -8.926 56 HN2 NH2 9 HN2 NH2 9 1.250 18.895 -9.050 Start of MODEL 16 1 H1 ACE 1 1H1 ACE 1 2.226 0.766 -3.409 2 H2 ACE 1 2H1 ACE 1 2.393 0.482 -1.660 3 H3 ACE 1 3H1 ACE 1 0.777 0.677 -2.380 4 H GLU 2 H GLU 2 1.058 2.217 -0.394 5 HA GLU 2 HA GLU 2 0.856 4.388 0.269 6 HB2 GLU 2 2HB GLU 2 3.494 4.342 -1.159 7 HB3 GLU 2 3HB GLU 2 2.872 5.849 -0.501 8 HG2 GLU 2 2HG GLU 2 2.708 4.750 1.717 9 HG3 GLU 2 3HG GLU 2 3.482 3.327 1.021 10 H VAL 3 H VAL 3 -0.428 3.612 -2.243 11 HA VAL 3 HA VAL 3 -0.203 5.472 -4.283 12 HB VAL 3 HB VAL 3 -1.582 3.495 -4.530 13 HG11 VAL 3 1HG1 VAL 3 -2.589 4.184 -2.038 14 HG12 VAL 3 2HG1 VAL 3 -3.947 4.419 -3.141 15 HG13 VAL 3 3HG1 VAL 3 -3.131 2.857 -3.064 16 HG21 VAL 3 1HG2 VAL 3 -3.283 4.426 -5.827 17 HG22 VAL 3 2HG2 VAL 3 -3.484 5.804 -4.745 18 HG23 VAL 3 3HG2 VAL 3 -2.059 5.695 -5.777 19 H ASN 4 H ASN 4 -0.859 7.523 -4.606 20 HA ASN 4 HA ASN 4 -2.262 8.849 -2.381 21 HB2 ASN 4 2HB ASN 4 -1.198 10.946 -3.596 22 HB3 ASN 4 3HB ASN 4 -0.259 9.981 -2.460 23 HD21 ASN 4 1HD2 ASN 4 1.593 9.138 -3.130 24 HD22 ASN 4 2HD2 ASN 4 2.130 9.075 -4.770 25 HA PRO 5 HA PRO 5 -5.610 9.996 -4.974 26 HB2 PRO 5 2HB PRO 5 -6.156 12.521 -4.139 27 HB3 PRO 5 3HB PRO 5 -6.512 11.089 -3.165 28 HG2 PRO 5 2HG PRO 5 -4.194 12.975 -2.983 29 HG3 PRO 5 3HG PRO 5 -5.163 12.264 -1.679 30 HD2 PRO 5 2HD PRO 5 -2.727 11.306 -2.372 31 HD3 PRO 5 3HD PRO 5 -4.023 10.263 -1.752 32 HA PRO 6 HA PRO 6 -4.375 12.306 -8.506 33 HB2 PRO 6 2HB PRO 6 -6.685 13.505 -9.278 34 HB3 PRO 6 3HB PRO 6 -6.397 11.770 -9.457 35 HG2 PRO 6 2HG PRO 6 -7.929 13.227 -7.338 36 HG3 PRO 6 3HG PRO 6 -8.346 11.729 -8.189 37 HD2 PRO 6 2HD PRO 6 -7.300 11.743 -5.691 38 HD3 PRO 6 3HD PRO 6 -6.976 10.441 -6.855 39 H VAL 7 H VAL 7 -2.954 13.823 -7.567 40 HA VAL 7 HA VAL 7 -4.109 16.515 -7.269 41 HB VAL 7 HB VAL 7 -1.817 15.431 -5.627 42 HG11 VAL 7 1HG1 VAL 7 -2.784 18.092 -6.169 43 HG12 VAL 7 2HG1 VAL 7 -2.892 17.720 -4.448 44 HG13 VAL 7 3HG1 VAL 7 -1.346 17.578 -5.287 45 HG21 VAL 7 1HG2 VAL 7 -4.679 15.966 -4.836 46 HG22 VAL 7 2HG2 VAL 7 -3.908 14.385 -4.958 47 HG23 VAL 7 3HG2 VAL 7 -3.376 15.533 -3.730 48 HA PRO 8 HA PRO 8 -0.769 16.449 -10.503 49 HB2 PRO 8 2HB PRO 8 -2.186 17.867 -12.334 50 HB3 PRO 8 3HB PRO 8 -2.294 16.109 -12.188 51 HG2 PRO 8 2HG PRO 8 -4.136 18.214 -11.123 52 HG3 PRO 8 3HG PRO 8 -4.532 16.677 -11.913 53 HD2 PRO 8 2HD PRO 8 -4.624 17.001 -9.226 54 HD3 PRO 8 3HD PRO 8 -4.192 15.456 -9.987 55 HN1 NH2 9 HN1 NH2 9 0.643 17.836 -9.493 56 HN2 NH2 9 HN2 NH2 9 0.462 19.558 -9.474 Start of MODEL 17 1 H1 ACE 1 1H1 ACE 1 2.260 -0.841 -1.729 2 H2 ACE 1 2H1 ACE 1 3.057 0.160 -2.967 3 H3 ACE 1 3H1 ACE 1 3.743 0.057 -1.327 4 H GLU 2 H GLU 2 3.483 2.471 -2.035 5 HA GLU 2 HA GLU 2 1.414 3.520 -0.348 6 HB2 GLU 2 2HB GLU 2 3.309 5.052 -2.133 7 HB3 GLU 2 3HB GLU 2 2.416 5.676 -0.753 8 HG2 GLU 2 2HG GLU 2 3.716 4.328 0.758 9 HG3 GLU 2 3HG GLU 2 4.545 3.556 -0.593 10 H VAL 3 H VAL 3 0.047 5.382 -1.093 11 HA VAL 3 HA VAL 3 -0.650 5.521 -3.876 12 HB VAL 3 HB VAL 3 -1.832 3.473 -3.335 13 HG11 VAL 3 1HG1 VAL 3 -3.616 3.451 -1.636 14 HG12 VAL 3 2HG1 VAL 3 -2.022 3.734 -0.932 15 HG13 VAL 3 3HG1 VAL 3 -3.145 5.077 -1.144 16 HG21 VAL 3 1HG2 VAL 3 -2.857 5.369 -4.754 17 HG22 VAL 3 2HG2 VAL 3 -3.900 4.043 -4.237 18 HG23 VAL 3 3HG2 VAL 3 -3.952 5.589 -3.389 19 H ASN 4 H ASN 4 -1.889 7.313 -4.366 20 HA ASN 4 HA ASN 4 -3.097 8.864 -2.231 21 HB2 ASN 4 2HB ASN 4 -1.788 10.925 -3.252 22 HB3 ASN 4 3HB ASN 4 -1.080 9.945 -1.972 23 HD21 ASN 4 1HD2 ASN 4 -0.836 10.999 -5.207 24 HD22 ASN 4 2HD2 ASN 4 0.617 10.156 -5.614 25 HA PRO 5 HA PRO 5 -5.926 10.081 -5.355 26 HB2 PRO 5 2HB PRO 5 -6.539 12.624 -4.628 27 HB3 PRO 5 3HB PRO 5 -7.092 11.207 -3.727 28 HG2 PRO 5 2HG PRO 5 -4.790 13.035 -3.158 29 HG3 PRO 5 3HG PRO 5 -5.984 12.357 -2.036 30 HD2 PRO 5 2HD PRO 5 -3.492 11.333 -2.305 31 HD3 PRO 5 3HD PRO 5 -4.901 10.326 -1.912 32 HA PRO 6 HA PRO 6 -4.052 12.337 -8.631 33 HB2 PRO 6 2HB PRO 6 -6.166 13.590 -9.785 34 HB3 PRO 6 3HB PRO 6 -5.897 11.847 -9.910 35 HG2 PRO 6 2HG PRO 6 -7.726 13.356 -8.082 36 HG3 PRO 6 3HG PRO 6 -8.033 11.863 -8.990 37 HD2 PRO 6 2HD PRO 6 -7.425 11.865 -6.351 38 HD3 PRO 6 3HD PRO 6 -6.943 10.549 -7.441 39 H VAL 7 H VAL 7 -2.767 13.825 -7.481 40 HA VAL 7 HA VAL 7 -3.919 16.532 -7.298 41 HB VAL 7 HB VAL 7 -1.779 15.404 -5.489 42 HG11 VAL 7 1HG1 VAL 7 -1.325 17.554 -5.120 43 HG12 VAL 7 2HG1 VAL 7 -2.740 18.085 -6.032 44 HG13 VAL 7 3HG1 VAL 7 -2.897 17.656 -4.328 45 HG21 VAL 7 1HG2 VAL 7 -3.665 15.760 -3.758 46 HG22 VAL 7 2HG2 VAL 7 -4.742 15.694 -5.153 47 HG23 VAL 7 3HG2 VAL 7 -3.705 14.319 -4.773 48 HA PRO 8 HA PRO 8 -0.297 16.485 -10.224 49 HB2 PRO 8 2HB PRO 8 -1.551 17.886 -12.183 50 HB3 PRO 8 3HB PRO 8 -1.652 16.127 -12.045 51 HG2 PRO 8 2HG PRO 8 -3.611 18.211 -11.162 52 HG3 PRO 8 3HG PRO 8 -3.912 16.668 -11.983 53 HD2 PRO 8 2HD PRO 8 -4.261 16.993 -9.317 54 HD3 PRO 8 3HD PRO 8 -3.742 15.453 -10.032 55 HN1 NH2 9 HN1 NH2 9 0.560 17.899 -8.494 56 HN2 NH2 9 HN2 NH2 9 0.524 19.616 -8.720 Start of MODEL 18 1 H1 ACE 1 1H1 ACE 1 1.761 0.420 -3.250 2 H2 ACE 1 2H1 ACE 1 1.914 0.156 -1.496 3 H3 ACE 1 3H1 ACE 1 0.325 0.534 -2.204 4 H GLU 2 H GLU 2 0.821 2.070 -0.258 5 HA GLU 2 HA GLU 2 0.893 4.264 0.354 6 HB2 GLU 2 2HB GLU 2 3.444 3.451 -0.193 7 HB3 GLU 2 3HB GLU 2 3.304 4.872 -1.217 8 HG2 GLU 2 2HG GLU 2 2.683 6.221 0.707 9 HG3 GLU 2 3HG GLU 2 2.771 4.798 1.744 10 H VAL 3 H VAL 3 -0.598 3.674 -2.022 11 HA VAL 3 HA VAL 3 -0.103 5.489 -4.113 12 HB VAL 3 HB VAL 3 -2.378 5.091 -4.830 13 HG11 VAL 3 1HG1 VAL 3 -2.063 2.385 -3.986 14 HG12 VAL 3 2HG1 VAL 3 -1.717 3.102 -5.561 15 HG13 VAL 3 3HG1 VAL 3 -0.472 3.072 -4.312 16 HG21 VAL 3 1HG2 VAL 3 -3.832 5.182 -3.084 17 HG22 VAL 3 2HG2 VAL 3 -3.668 3.429 -3.195 18 HG23 VAL 3 3HG2 VAL 3 -2.745 4.326 -1.989 19 H ASN 4 H ASN 4 -1.363 7.394 -4.682 20 HA ASN 4 HA ASN 4 -2.470 8.843 -2.382 21 HB2 ASN 4 2HB ASN 4 -1.307 10.909 -3.560 22 HB3 ASN 4 3HB ASN 4 -0.430 9.911 -2.403 23 HD21 ASN 4 1HD2 ASN 4 -0.591 11.055 -5.594 24 HD22 ASN 4 2HD2 ASN 4 0.763 10.187 -6.226 25 HA PRO 5 HA PRO 5 -5.708 10.105 -5.060 26 HB2 PRO 5 2HB PRO 5 -6.196 12.644 -4.230 27 HB3 PRO 5 3HB PRO 5 -6.623 11.221 -3.272 28 HG2 PRO 5 2HG PRO 5 -4.252 13.031 -3.020 29 HG3 PRO 5 3HG PRO 5 -5.279 12.348 -1.746 30 HD2 PRO 5 2HD PRO 5 -2.856 11.315 -2.376 31 HD3 PRO 5 3HD PRO 5 -4.201 10.311 -1.795 32 HA PRO 6 HA PRO 6 -4.306 12.385 -8.548 33 HB2 PRO 6 2HB PRO 6 -6.555 13.659 -9.378 34 HB3 PRO 6 3HB PRO 6 -6.317 11.916 -9.556 35 HG2 PRO 6 2HG PRO 6 -7.858 13.416 -7.472 36 HG3 PRO 6 3HG PRO 6 -8.300 11.934 -8.340 37 HD2 PRO 6 2HD PRO 6 -7.322 11.907 -5.815 38 HD3 PRO 6 3HD PRO 6 -7.009 10.599 -6.975 39 H VAL 7 H VAL 7 -2.871 13.837 -7.491 40 HA VAL 7 HA VAL 7 -3.959 16.559 -7.176 41 HB VAL 7 HB VAL 7 -1.613 15.435 -5.644 42 HG11 VAL 7 1HG1 VAL 7 -2.445 17.562 -4.236 43 HG12 VAL 7 2HG1 VAL 7 -1.227 17.661 -5.510 44 HG13 VAL 7 3HG1 VAL 7 -2.904 18.084 -5.857 45 HG21 VAL 7 1HG2 VAL 7 -4.496 15.763 -4.833 46 HG22 VAL 7 2HG2 VAL 7 -3.548 14.276 -4.867 47 HG23 VAL 7 3HG2 VAL 7 -3.177 15.531 -3.684 48 HA PRO 8 HA PRO 8 -0.690 16.480 -10.497 49 HB2 PRO 8 2HB PRO 8 -2.148 17.884 -12.306 50 HB3 PRO 8 3HB PRO 8 -2.242 16.126 -12.154 51 HG2 PRO 8 2HG PRO 8 -4.079 18.223 -11.063 52 HG3 PRO 8 3HG PRO 8 -4.479 16.680 -11.841 53 HD2 PRO 8 2HD PRO 8 -4.526 17.012 -9.154 54 HD3 PRO 8 3HD PRO 8 -4.098 15.467 -9.918 55 HN1 NH2 9 HN1 NH2 9 0.592 17.873 -9.213 56 HN2 NH2 9 HN2 NH2 9 0.453 19.597 -9.310 Start of MODEL 19 1 H1 ACE 1 1H1 ACE 1 6.312 3.623 -3.558 2 H2 ACE 1 2H1 ACE 1 5.618 5.237 -3.841 3 H3 ACE 1 3H1 ACE 1 6.170 4.778 -2.212 4 H GLU 2 H GLU 2 3.812 5.689 -2.129 5 HA GLU 2 HA GLU 2 2.017 3.351 -2.116 6 HB2 GLU 2 2HB GLU 2 2.245 5.666 -0.198 7 HB3 GLU 2 3HB GLU 2 0.832 4.621 -0.247 8 HG2 GLU 2 2HG GLU 2 2.570 2.708 0.023 9 HG3 GLU 2 3HG GLU 2 3.617 3.997 0.614 10 H VAL 3 H VAL 3 -0.289 3.834 -2.352 11 HA VAL 3 HA VAL 3 -0.836 5.348 -4.635 12 HB VAL 3 HB VAL 3 -3.216 5.029 -4.102 13 HG11 VAL 3 1HG1 VAL 3 -1.392 2.665 -3.731 14 HG12 VAL 3 2HG1 VAL 3 -3.141 2.511 -3.911 15 HG13 VAL 3 3HG1 VAL 3 -2.178 3.214 -5.211 16 HG21 VAL 3 1HG2 VAL 3 -2.110 4.536 -1.421 17 HG22 VAL 3 2HG2 VAL 3 -3.685 5.167 -1.902 18 HG23 VAL 3 3HG2 VAL 3 -3.386 3.429 -1.927 19 H ASN 4 H ASN 4 -2.706 7.043 -4.596 20 HA ASN 4 HA ASN 4 -2.962 8.809 -2.422 21 HB2 ASN 4 2HB ASN 4 -1.681 10.725 -3.722 22 HB3 ASN 4 3HB ASN 4 -0.831 9.662 -2.605 23 HD21 ASN 4 1HD2 ASN 4 -1.763 9.866 -6.018 24 HD22 ASN 4 2HD2 ASN 4 -0.292 9.203 -6.636 25 HA PRO 5 HA PRO 5 -6.234 10.351 -4.904 26 HB2 PRO 5 2HB PRO 5 -6.405 12.939 -4.101 27 HB3 PRO 5 3HB PRO 5 -6.906 11.583 -3.084 28 HG2 PRO 5 2HG PRO 5 -4.353 13.146 -3.035 29 HG3 PRO 5 3HG PRO 5 -5.352 12.591 -1.678 30 HD2 PRO 5 2HD PRO 5 -3.096 11.306 -2.447 31 HD3 PRO 5 3HD PRO 5 -4.491 10.455 -1.754 32 HA PRO 6 HA PRO 6 -4.855 12.420 -8.530 33 HB2 PRO 6 2HB PRO 6 -7.016 13.903 -9.235 34 HB3 PRO 6 3HB PRO 6 -6.968 12.143 -9.388 35 HG2 PRO 6 2HG PRO 6 -8.202 13.825 -7.241 36 HG3 PRO 6 3HG PRO 6 -8.850 12.382 -8.043 37 HD2 PRO 6 2HD PRO 6 -7.707 12.296 -5.590 38 HD3 PRO 6 3HD PRO 6 -7.608 10.945 -6.737 39 H VAL 7 H VAL 7 -3.255 13.694 -7.323 40 HA VAL 7 HA VAL 7 -3.888 16.554 -7.475 41 HB VAL 7 HB VAL 7 -2.348 15.356 -5.171 42 HG11 VAL 7 1HG1 VAL 7 -3.001 17.757 -4.296 43 HG12 VAL 7 2HG1 VAL 7 -1.571 17.504 -5.299 44 HG13 VAL 7 3HG1 VAL 7 -3.059 18.117 -6.021 45 HG21 VAL 7 1HG2 VAL 7 -5.209 16.293 -5.317 46 HG22 VAL 7 2HG2 VAL 7 -4.631 14.673 -4.928 47 HG23 VAL 7 3HG2 VAL 7 -4.339 16.005 -3.810 48 HA PRO 8 HA PRO 8 0.087 15.419 -9.608 49 HB2 PRO 8 2HB PRO 8 -0.474 16.776 -11.891 50 HB3 PRO 8 3HB PRO 8 -0.982 15.105 -11.617 51 HG2 PRO 8 2HG PRO 8 -2.555 17.635 -11.325 52 HG3 PRO 8 3HG PRO 8 -3.044 16.091 -12.046 53 HD2 PRO 8 2HD PRO 8 -3.763 16.821 -9.540 54 HD3 PRO 8 3HD PRO 8 -3.482 15.129 -9.997 55 HN1 NH2 9 HN1 NH2 9 1.473 16.664 -8.412 56 HN2 NH2 9 HN2 NH2 9 1.648 18.378 -8.593 Start of MODEL 20 1 H1 ACE 1 1H1 ACE 1 1.487 0.535 -2.834 2 H2 ACE 1 2H1 ACE 1 2.083 0.569 -1.157 3 H3 ACE 1 3H1 ACE 1 0.368 0.905 -1.499 4 H GLU 2 H GLU 2 1.360 2.724 -0.049 5 HA GLU 2 HA GLU 2 1.641 4.977 0.131 6 HB2 GLU 2 2HB GLU 2 3.721 4.175 -1.870 7 HB3 GLU 2 3HB GLU 2 3.486 5.877 -1.497 8 HG2 GLU 2 2HG GLU 2 3.738 5.160 0.957 9 HG3 GLU 2 3HG GLU 2 4.414 3.672 0.297 10 H VAL 3 H VAL 3 -0.388 3.952 -1.743 11 HA VAL 3 HA VAL 3 -0.511 5.487 -4.090 12 HB VAL 3 HB VAL 3 -2.907 4.991 -4.118 13 HG11 VAL 3 1HG1 VAL 3 -1.553 3.245 -4.945 14 HG12 VAL 3 2HG1 VAL 3 -1.065 2.751 -3.323 15 HG13 VAL 3 3HG1 VAL 3 -2.719 2.475 -3.870 16 HG21 VAL 3 1HG2 VAL 3 -3.886 5.086 -2.093 17 HG22 VAL 3 2HG2 VAL 3 -3.485 3.370 -2.030 18 HG23 VAL 3 3HG2 VAL 3 -2.434 4.551 -1.248 19 H ASN 4 H ASN 4 -2.246 7.159 -4.505 20 HA ASN 4 HA ASN 4 -3.092 8.822 -2.341 21 HB2 ASN 4 2HB ASN 4 -1.761 10.833 -3.430 22 HB3 ASN 4 3HB ASN 4 -1.023 9.821 -2.191 23 HD21 ASN 4 1HD2 ASN 4 -1.366 10.141 -5.694 24 HD22 ASN 4 2HD2 ASN 4 0.203 9.528 -6.080 25 HA PRO 5 HA PRO 5 -6.038 10.160 -5.304 26 HB2 PRO 5 2HB PRO 5 -6.509 12.722 -4.542 27 HB3 PRO 5 3HB PRO 5 -7.068 11.326 -3.614 28 HG2 PRO 5 2HG PRO 5 -4.668 13.059 -3.170 29 HG3 PRO 5 3HG PRO 5 -5.824 12.425 -1.985 30 HD2 PRO 5 2HD PRO 5 -3.393 11.305 -2.390 31 HD3 PRO 5 3HD PRO 5 -4.817 10.353 -1.922 32 HA PRO 6 HA PRO 6 -4.258 12.350 -8.676 33 HB2 PRO 6 2HB PRO 6 -6.381 13.689 -9.711 34 HB3 PRO 6 3HB PRO 6 -6.188 11.938 -9.852 35 HG2 PRO 6 2HG PRO 6 -7.854 13.512 -7.925 36 HG3 PRO 6 3HG PRO 6 -8.268 12.035 -8.816 37 HD2 PRO 6 2HD PRO 6 -7.517 12.005 -6.215 38 HD3 PRO 6 3HD PRO 6 -7.148 10.674 -7.330 39 H VAL 7 H VAL 7 -2.932 13.730 -7.302 40 HA VAL 7 HA VAL 7 -3.920 16.508 -7.208 41 HB VAL 7 HB VAL 7 -1.837 15.304 -5.384 42 HG11 VAL 7 1HG1 VAL 7 -1.894 17.336 -4.193 43 HG12 VAL 7 2HG1 VAL 7 -1.795 17.791 -5.895 44 HG13 VAL 7 3HG1 VAL 7 -3.337 17.887 -5.044 45 HG21 VAL 7 1HG2 VAL 7 -4.778 15.785 -4.950 46 HG22 VAL 7 2HG2 VAL 7 -3.905 14.257 -4.834 47 HG23 VAL 7 3HG2 VAL 7 -3.630 15.523 -3.637 48 HA PRO 8 HA PRO 8 -0.298 16.291 -10.115 49 HB2 PRO 8 2HB PRO 8 -1.449 17.823 -12.038 50 HB3 PRO 8 3HB PRO 8 -1.675 16.073 -11.941 51 HG2 PRO 8 2HG PRO 8 -3.480 18.270 -11.007 52 HG3 PRO 8 3HG PRO 8 -3.891 16.773 -11.863 53 HD2 PRO 8 2HD PRO 8 -4.216 17.059 -9.190 54 HD3 PRO 8 3HD PRO 8 -3.808 15.503 -9.941 55 HN1 NH2 9 HN1 NH2 9 1.210 17.594 -9.229 56 HN2 NH2 9 HN2 NH2 9 1.088 19.315 -9.083
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