NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624087 | 6bf5 | 30366 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 1 H1 GLN 1 42.130 21.070 22.870 2 HA GLN 1 HA GLN 1 41.360 19.620 20.360 3 HB2 GLN 1 HB2 GLN 1 44.090 19.530 21.700 4 HB3 GLN 1 HB1 GLN 1 43.570 18.830 20.270 5 HG2 GLN 1 HG2 GLN 1 43.690 21.820 20.640 6 HG3 GLN 1 HG1 GLN 1 45.010 20.780 20.020 7 HE21 GLN 1 1HE2 GLN 1 44.540 22.570 18.290 8 HE22 GLN 1 2HE2 GLN 1 43.460 22.030 16.980 9 H ASP 2 H ASP 2 40.340 19.670 23.370 10 HA ASP 2 HA ASP 2 40.950 16.870 24.080 11 HB2 ASP 2 HB2 ASP 2 39.890 18.970 25.830 12 HB3 ASP 2 HB1 ASP 2 40.450 17.230 26.200 13 HA PRO 3 HA PRO 3 37.000 16.180 22.280 14 HB2 PRO 3 HB2 PRO 3 37.340 13.510 23.740 15 HB3 PRO 3 HB1 PRO 3 36.740 13.890 22.000 16 HG2 PRO 3 HG2 PRO 3 39.300 13.000 22.730 17 HG3 PRO 3 HG1 PRO 3 39.020 14.050 21.380 18 HD2 PRO 3 HD2 PRO 3 40.010 14.670 24.130 19 HD3 PRO 3 HD1 PRO 3 40.320 15.540 22.520 20 HA DPR 4 HA DPR 4 33.930 16.120 25.700 21 HB2 DPR 4 HB1 DPR 4 31.800 17.120 24.330 22 HB3 DPR 4 HB2 DPR 4 32.370 15.460 23.880 23 HG2 DPR 4 HG1 DPR 4 33.060 18.130 22.600 24 HG3 DPR 4 HG2 DPR 4 32.560 16.600 21.790 25 HD2 DPR 4 HD1 DPR 4 35.210 17.370 22.080 26 HD3 DPR 4 HD2 DPR 4 34.620 15.700 22.050 27 H LYS 5 H LYS 5 36.010 17.920 25.550 28 HA LYS 5 HA LYS 5 34.620 19.980 27.110 29 HB2 LYS 5 HB2 LYS 5 37.610 19.550 27.010 30 HB3 LYS 5 HB1 LYS 5 36.690 20.750 27.920 31 HG2 LYS 5 HG2 LYS 5 35.470 19.000 29.150 32 HG3 LYS 5 HG1 LYS 5 36.400 17.770 28.340 33 HD2 LYS 5 HD2 LYS 5 37.520 19.850 30.250 34 HD3 LYS 5 HD1 LYS 5 37.250 18.100 30.430 35 HE2 LYS 5 HE2 LYS 5 39.040 17.820 28.530 36 HE3 LYS 5 HE1 LYS 5 39.200 19.500 28.490 37 HZ1 LYS 5 HZ1 LYS 5 39.950 19.470 30.730 38 HZ2 LYS 5 HZ2 LYS 5 40.840 18.320 30.010 39 HZ3 LYS 5 HZ3 LYS 5 39.510 17.920 30.970 40 H DTH 6 H DTH 6 37.060 19.790 24.610 41 HA DTH 6 HA DTH 6 36.600 22.610 23.830 42 HB DTH 6 HB DTH 6 37.120 20.130 22.080 43 HG21 DTH 6 1HG2 DTH 6 34.940 20.030 22.620 44 HG22 DTH 6 2HG2 DTH 6 35.000 20.470 20.990 45 HG23 DTH 6 3HG2 DTH 6 34.670 21.810 22.180 46 HG1 DTH 6 HG1 DTH 6 36.830 21.520 20.330 47 H DAS 7 H DAS 7 38.280 23.180 22.210 48 HA DAS 7 HA DAS 7 41.100 23.030 23.230 49 HB2 DAS 7 HB1 DAS 7 39.970 24.650 21.020 50 HB3 DAS 7 HB2 DAS 7 41.660 24.610 21.520 Start of MODEL 2 1 H1 GLN 1 H1 GLN 1 42.187 21.808 22.679 2 HA GLN 1 HA GLN 1 42.298 19.701 20.796 3 HB2 GLN 1 HB2 GLN 1 44.195 20.152 23.166 4 HB3 GLN 1 HB1 GLN 1 44.448 19.107 21.867 5 HG2 GLN 1 HG2 GLN 1 44.434 22.171 21.726 6 HG3 GLN 1 HG1 GLN 1 45.800 21.048 21.457 7 HE21 GLN 1 1HE2 GLN 1 46.095 20.018 19.344 8 HE22 GLN 1 2HE2 GLN 1 44.915 20.237 18.127 9 H ASP 2 H ASP 2 40.439 19.744 23.346 10 HA ASP 2 HA ASP 2 40.721 16.747 23.591 11 HB2 ASP 2 HB2 ASP 2 39.668 18.371 25.890 12 HB3 ASP 2 HB1 ASP 2 40.311 16.767 25.844 13 HA PRO 3 HA PRO 3 36.896 16.246 22.208 14 HB2 PRO 3 HB2 PRO 3 36.085 13.769 23.199 15 HB3 PRO 3 HB1 PRO 3 37.429 13.952 21.932 16 HG2 PRO 3 HG2 PRO 3 37.656 13.836 24.939 17 HG3 PRO 3 HG1 PRO 3 38.520 12.723 23.703 18 HD2 PRO 3 HD2 PRO 3 39.800 14.915 24.619 19 HD3 PRO 3 HD1 PRO 3 39.552 14.654 22.822 20 HA DPR 4 HA DPR 4 33.629 16.254 25.423 21 HB2 DPR 4 HB1 DPR 4 31.797 17.757 24.321 22 HB3 DPR 4 HB2 DPR 4 32.232 16.173 23.648 23 HG2 DPR 4 HG1 DPR 4 33.496 18.857 22.784 24 HG3 DPR 4 HG2 DPR 4 32.474 17.681 21.787 25 HD2 DPR 4 HD1 DPR 4 35.202 17.490 21.861 26 HD3 DPR 4 HD2 DPR 4 34.268 16.025 22.040 27 H LYS 5 H LYS 5 35.898 17.530 25.877 28 HA LYS 5 HA LYS 5 35.229 19.843 27.427 29 HB2 LYS 5 HB2 LYS 5 36.882 18.179 27.905 30 HB3 LYS 5 HB1 LYS 5 38.037 19.081 26.785 31 HG2 LYS 5 HG2 LYS 5 36.635 20.664 28.970 32 HG3 LYS 5 HG1 LYS 5 37.689 19.501 29.537 33 HD2 LYS 5 HD2 LYS 5 39.565 20.149 28.176 34 HD3 LYS 5 HD1 LYS 5 38.634 21.510 27.462 35 HE2 LYS 5 HE2 LYS 5 38.294 22.358 29.818 36 HE3 LYS 5 HE1 LYS 5 39.435 21.065 30.389 37 HZ1 LYS 5 HZ1 LYS 5 40.120 23.328 28.655 38 HZ2 LYS 5 HZ2 LYS 5 40.985 21.968 28.981 39 HZ3 LYS 5 HZ3 LYS 5 40.702 23.024 30.167 40 H DTH 6 H DTH 6 36.667 19.655 24.101 41 HA DTH 6 HA DTH 6 36.247 22.523 24.065 42 HB DTH 6 HB DTH 6 36.084 22.487 21.725 43 HG21 DTH 6 1HG2 DTH 6 35.854 20.333 20.436 44 HG22 DTH 6 2HG2 DTH 6 36.373 19.466 21.870 45 HG23 DTH 6 3HG2 DTH 6 37.445 20.609 21.073 46 HG1 DTH 6 HG1 DTH 6 34.156 21.945 22.975 47 H DAS 7 H DAS 7 37.799 22.892 21.735 48 HA DAS 7 HA DAS 7 40.510 23.016 22.870 49 HB2 DAS 7 HB1 DAS 7 39.948 23.539 19.976 50 HB3 DAS 7 HB2 DAS 7 41.130 24.265 21.070 Start of MODEL 3 1 H1 GLN 1 H1 GLN 1 42.249 21.522 22.827 2 HA GLN 1 HA GLN 1 42.137 19.657 20.648 3 HB2 GLN 1 HB2 GLN 1 43.719 19.627 23.196 4 HB3 GLN 1 HB1 GLN 1 43.820 18.457 22.028 5 HG2 GLN 1 HG2 GLN 1 44.310 21.330 21.169 6 HG3 GLN 1 HG1 GLN 1 45.613 20.103 21.598 7 HE21 GLN 1 1HE2 GLN 1 44.126 21.531 19.043 8 HE22 GLN 1 2HE2 GLN 1 44.357 20.213 17.845 9 H ASP 2 H ASP 2 40.432 19.717 23.704 10 HA ASP 2 HA ASP 2 40.807 16.801 23.808 11 HB2 ASP 2 HB2 ASP 2 39.777 18.771 25.912 12 HB3 ASP 2 HB1 ASP 2 40.202 17.045 26.165 13 HA PRO 3 HA PRO 3 36.672 15.976 22.129 14 HB2 PRO 3 HB2 PRO 3 37.404 13.633 23.950 15 HB3 PRO 3 HB1 PRO 3 36.414 13.621 22.446 16 HG2 PRO 3 HG2 PRO 3 39.051 13.030 22.794 17 HG3 PRO 3 HG1 PRO 3 38.491 13.791 21.223 18 HD2 PRO 3 HD2 PRO 3 40.200 14.891 23.332 19 HD3 PRO 3 HD1 PRO 3 39.803 15.551 21.713 20 HA DPR 4 HA DPR 4 33.864 15.976 25.407 21 HB2 DPR 4 HB1 DPR 4 31.847 17.642 24.468 22 HB3 DPR 4 HB2 DPR 4 32.259 16.043 23.782 23 HG2 DPR 4 HG1 DPR 4 33.415 18.740 22.788 24 HG3 DPR 4 HG2 DPR 4 32.560 17.470 21.898 25 HD2 DPR 4 HD1 DPR 4 35.155 17.305 21.880 26 HD3 DPR 4 HD2 DPR 4 34.176 15.843 22.115 27 H LYS 5 H LYS 5 36.253 17.738 25.590 28 HA LYS 5 HA LYS 5 35.098 19.911 27.303 29 HB2 LYS 5 HB2 LYS 5 37.919 18.952 26.791 30 HB3 LYS 5 HB1 LYS 5 37.440 20.323 27.792 31 HG2 LYS 5 HG2 LYS 5 36.008 18.896 29.145 32 HG3 LYS 5 HG1 LYS 5 36.450 17.479 28.255 33 HD2 LYS 5 HD2 LYS 5 37.800 17.367 30.274 34 HD3 LYS 5 HD1 LYS 5 38.735 17.498 28.909 35 HE2 LYS 5 HE2 LYS 5 39.775 18.944 30.460 36 HE3 LYS 5 HE1 LYS 5 39.062 20.018 29.221 37 HZ1 LYS 5 HZ1 LYS 5 38.435 20.755 31.452 38 HZ2 LYS 5 HZ2 LYS 5 37.511 19.472 31.626 39 HZ3 LYS 5 HZ3 LYS 5 37.206 20.480 30.409 40 H DTH 6 H DTH 6 36.933 19.665 24.171 41 HA DTH 6 HA DTH 6 36.465 22.631 23.921 42 HB DTH 6 HB DTH 6 36.393 22.165 21.512 43 HG21 DTH 6 1HG2 DTH 6 36.126 19.264 22.232 44 HG22 DTH 6 2HG2 DTH 6 37.676 20.049 21.600 45 HG23 DTH 6 3HG2 DTH 6 36.223 20.101 20.589 46 HG1 DTH 6 HG1 DTH 6 34.467 21.133 21.464 47 H DAS 7 H DAS 7 38.084 23.421 21.881 48 HA DAS 7 HA DAS 7 40.689 23.397 22.994 49 HB2 DAS 7 HB1 DAS 7 39.792 24.047 20.245 50 HB3 DAS 7 HB2 DAS 7 41.412 24.332 20.887 Start of MODEL 4 1 H1 GLN 1 H1 GLN 1 42.223 21.416 22.734 2 HA GLN 1 HA GLN 1 41.750 19.520 20.420 3 HB2 GLN 1 HB2 GLN 1 44.082 19.941 22.288 4 HB3 GLN 1 HB1 GLN 1 44.037 18.783 21.002 5 HG2 GLN 1 HG2 GLN 1 43.831 21.858 20.801 6 HG3 GLN 1 HG1 GLN 1 45.292 20.980 20.631 7 HE21 GLN 1 1HE2 GLN 1 43.197 22.740 18.767 8 HE22 GLN 1 2HE2 GLN 1 42.950 21.669 17.429 9 H ASP 2 H ASP 2 40.447 19.668 23.488 10 HA ASP 2 HA ASP 2 41.040 16.801 24.096 11 HB2 ASP 2 HB2 ASP 2 39.639 18.761 25.794 12 HB3 ASP 2 HB1 ASP 2 40.266 17.134 26.169 13 HA PRO 3 HA PRO 3 36.953 16.391 22.351 14 HB2 PRO 3 HB2 PRO 3 36.182 13.839 22.851 15 HB3 PRO 3 HB1 PRO 3 37.459 14.255 21.738 16 HG2 PRO 3 HG2 PRO 3 37.629 13.563 24.654 17 HG3 PRO 3 HG1 PRO 3 38.667 12.805 23.328 18 HD2 PRO 3 HD2 PRO 3 39.352 14.845 25.083 19 HD3 PRO 3 HD1 PRO 3 39.942 14.788 23.302 20 HA DPR 4 HA DPR 4 33.494 16.036 25.333 21 HB2 DPR 4 HB1 DPR 4 32.652 18.154 23.185 22 HB3 DPR 4 HB2 DPR 4 31.653 17.073 24.254 23 HG2 DPR 4 HG1 DPR 4 32.404 16.438 21.740 24 HG3 DPR 4 HG2 DPR 4 32.664 15.195 23.030 25 HD2 DPR 4 HD1 DPR 4 34.644 17.374 22.045 26 HD3 DPR 4 HD2 DPR 4 34.833 15.591 21.931 27 H LYS 5 H LYS 5 35.933 17.903 25.452 28 HA LYS 5 HA LYS 5 34.930 19.940 27.339 29 HB2 LYS 5 HB2 LYS 5 36.840 18.159 27.839 30 HB3 LYS 5 HB1 LYS 5 37.794 19.265 26.843 31 HG2 LYS 5 HG2 LYS 5 37.308 21.159 28.428 32 HG3 LYS 5 HG1 LYS 5 36.047 20.337 29.080 33 HD2 LYS 5 HD2 LYS 5 38.021 18.485 29.571 34 HD3 LYS 5 HD1 LYS 5 38.994 20.030 29.341 35 HE2 LYS 5 HE2 LYS 5 37.529 21.040 31.149 36 HE3 LYS 5 HE1 LYS 5 37.010 19.411 31.555 37 HZ1 LYS 5 HZ1 LYS 5 38.859 20.145 32.816 38 HZ2 LYS 5 HZ2 LYS 5 39.822 20.248 31.531 39 HZ3 LYS 5 HZ3 LYS 5 39.199 18.786 32.158 40 H DTH 6 H DTH 6 37.111 19.693 24.459 41 HA DTH 6 HA DTH 6 36.607 22.612 23.936 42 HB DTH 6 HB DTH 6 36.863 20.638 21.705 43 HG21 DTH 6 1HG2 DTH 6 34.325 20.512 21.475 44 HG22 DTH 6 2HG2 DTH 6 34.327 21.159 23.194 45 HG23 DTH 6 3HG2 DTH 6 35.023 19.567 22.817 46 HG1 DTH 6 HG1 DTH 6 35.503 22.366 20.889 47 H DAS 7 H DAS 7 38.178 23.570 22.444 48 HA DAS 7 HA DAS 7 40.846 23.118 23.085 49 HB2 DAS 7 HB1 DAS 7 39.902 25.070 21.831 50 HB3 DAS 7 HB2 DAS 7 39.665 24.045 20.447 Start of MODEL 5 1 H1 GLN 1 H1 GLN 1 41.851 21.088 23.216 2 HA GLN 1 HA GLN 1 41.862 20.159 20.426 3 HB2 GLN 1 HB2 GLN 1 43.826 19.561 22.738 4 HB3 GLN 1 HB1 GLN 1 43.841 18.901 21.173 5 HG2 GLN 1 HG2 GLN 1 44.534 20.909 20.069 6 HG3 GLN 1 HG1 GLN 1 44.251 21.824 21.600 7 HE21 GLN 1 1HE2 GLN 1 45.574 21.445 23.467 8 HE22 GLN 1 2HE2 GLN 1 46.997 20.467 23.424 9 H ASP 2 H ASP 2 40.396 19.476 23.497 10 HA ASP 2 HA ASP 2 40.824 16.610 23.180 11 HB2 ASP 2 HB2 ASP 2 40.006 17.945 25.736 12 HB3 ASP 2 HB1 ASP 2 40.692 16.334 25.367 13 HA PRO 3 HA PRO 3 36.534 16.094 22.510 14 HB2 PRO 3 HB2 PRO 3 36.026 13.637 23.536 15 HB3 PRO 3 HB1 PRO 3 36.958 13.883 21.935 16 HG2 PRO 3 HG2 PRO 3 38.145 13.338 24.752 17 HG3 PRO 3 HG1 PRO 3 38.594 12.581 23.306 18 HD2 PRO 3 HD2 PRO 3 39.985 14.727 24.070 19 HD3 PRO 3 HD1 PRO 3 39.551 14.607 22.349 20 HA DPR 4 HA DPR 4 33.951 15.711 26.127 21 HB2 DPR 4 HB1 DPR 4 32.417 17.675 24.400 22 HB3 DPR 4 HB2 DPR 4 31.757 16.444 25.425 23 HG2 DPR 4 HG1 DPR 4 31.999 15.982 22.713 24 HG3 DPR 4 HG2 DPR 4 32.522 14.748 23.917 25 HD2 DPR 4 HD1 DPR 4 34.251 16.773 22.425 26 HD3 DPR 4 HD2 DPR 4 34.581 15.041 22.545 27 H LYS 5 H LYS 5 35.328 18.451 24.620 28 HA LYS 5 HA LYS 5 34.426 20.343 26.655 29 HB2 LYS 5 HB2 LYS 5 36.284 19.074 27.925 30 HB3 LYS 5 HB1 LYS 5 37.318 19.491 26.649 31 HG2 LYS 5 HG2 LYS 5 36.970 22.021 27.295 32 HG3 LYS 5 HG1 LYS 5 36.187 21.296 28.762 33 HD2 LYS 5 HD2 LYS 5 38.128 20.095 29.311 34 HD3 LYS 5 HD1 LYS 5 38.951 20.816 27.868 35 HE2 LYS 5 HE2 LYS 5 38.234 23.050 28.897 36 HE3 LYS 5 HE1 LYS 5 37.794 22.225 30.358 37 HZ1 LYS 5 HZ1 LYS 5 39.804 22.757 30.869 38 HZ2 LYS 5 HZ2 LYS 5 40.355 22.759 29.343 39 HZ3 LYS 5 HZ3 LYS 5 40.229 21.319 30.308 40 H DTH 6 H DTH 6 37.245 19.843 24.353 41 HA DTH 6 HA DTH 6 36.693 22.631 23.328 42 HB DTH 6 HB DTH 6 37.081 20.280 21.737 43 HG21 DTH 6 1HG2 DTH 6 34.864 20.356 22.344 44 HG22 DTH 6 2HG2 DTH 6 34.852 21.115 20.723 45 HG23 DTH 6 3HG2 DTH 6 34.625 22.062 22.218 46 HG1 DTH 6 HG1 DTH 6 36.685 22.943 20.948 47 H DAS 7 H DAS 7 38.458 23.744 22.598 48 HA DAS 7 HA DAS 7 40.989 23.148 23.686 49 HB2 DAS 7 HB1 DAS 7 40.725 25.304 23.208 50 HB3 DAS 7 HB2 DAS 7 40.238 25.010 21.495 Start of MODEL 6 1 H1 GLN 1 H1 GLN 1 42.072 21.713 22.695 2 HA GLN 1 HA GLN 1 42.302 19.586 20.701 3 HB2 GLN 1 HB2 GLN 1 44.391 20.839 21.478 4 HB3 GLN 1 HB1 GLN 1 44.125 20.254 23.053 5 HG2 GLN 1 HG2 GLN 1 44.651 18.028 22.212 6 HG3 GLN 1 HG1 GLN 1 44.448 18.668 20.527 7 HE21 GLN 1 1HE2 GLN 1 46.505 19.609 23.610 8 HE22 GLN 1 2HE2 GLN 1 47.918 19.781 22.686 9 H ASP 2 H ASP 2 40.567 19.610 23.561 10 HA ASP 2 HA ASP 2 40.925 16.666 23.886 11 HB2 ASP 2 HB2 ASP 2 39.877 18.684 25.923 12 HB3 ASP 2 HB1 ASP 2 40.029 16.989 26.010 13 HA PRO 3 HA PRO 3 36.986 16.474 22.127 14 HB2 PRO 3 HB2 PRO 3 36.959 13.812 23.621 15 HB3 PRO 3 HB1 PRO 3 36.386 14.180 21.925 16 HG2 PRO 3 HG2 PRO 3 38.831 13.116 22.230 17 HG3 PRO 3 HG1 PRO 3 38.605 14.520 21.175 18 HD2 PRO 3 HD2 PRO 3 39.515 14.560 24.085 19 HD3 PRO 3 HD1 PRO 3 40.226 15.331 22.540 20 HA DPR 4 HA DPR 4 33.810 16.031 25.234 21 HB2 DPR 4 HB1 DPR 4 32.271 18.159 23.840 22 HB3 DPR 4 HB2 DPR 4 31.765 16.408 24.165 23 HG2 DPR 4 HG1 DPR 4 32.429 17.080 21.602 24 HG3 DPR 4 HG2 DPR 4 33.063 15.640 22.321 25 HD2 DPR 4 HD1 DPR 4 34.657 18.203 22.240 26 HD3 DPR 4 HD2 DPR 4 35.059 16.595 21.673 27 H LYS 5 H LYS 5 35.996 17.687 25.761 28 HA LYS 5 HA LYS 5 34.958 19.794 27.449 29 HB2 LYS 5 HB2 LYS 5 36.728 18.450 28.253 30 HB3 LYS 5 HB1 LYS 5 37.880 18.982 26.888 31 HG2 LYS 5 HG2 LYS 5 37.783 21.235 28.050 32 HG3 LYS 5 HG1 LYS 5 36.680 20.525 29.148 33 HD2 LYS 5 HD2 LYS 5 38.019 19.276 30.281 34 HD3 LYS 5 HD1 LYS 5 39.217 19.044 29.044 35 HE2 LYS 5 HE2 LYS 5 40.022 21.411 29.377 36 HE3 LYS 5 HE1 LYS 5 38.818 21.765 30.475 37 HZ1 LYS 5 HZ1 LYS 5 40.744 21.186 31.766 38 HZ2 LYS 5 HZ2 LYS 5 40.907 19.746 31.010 39 HZ3 LYS 5 HZ3 LYS 5 39.655 19.972 31.900 40 H DTH 6 H DTH 6 37.182 19.803 24.649 41 HA DTH 6 HA DTH 6 36.581 22.695 24.195 42 HB DTH 6 HB DTH 6 36.449 20.532 21.944 43 HG21 DTH 6 1HG2 DTH 6 34.311 21.899 23.565 44 HG22 DTH 6 2HG2 DTH 6 34.503 20.113 23.261 45 HG23 DTH 6 3HG2 DTH 6 34.042 21.186 21.932 46 HG1 DTH 6 HG1 DTH 6 35.546 22.140 20.845 47 H DAS 7 H DAS 7 37.838 22.691 21.731 48 HA DAS 7 HA DAS 7 40.627 23.111 22.576 49 HB2 DAS 7 HB1 DAS 7 39.377 24.552 20.965 50 HB3 DAS 7 HB2 DAS 7 39.224 23.248 19.888 Start of MODEL 7 1 H1 GLN 1 H1 GLN 1 42.082 21.636 23.027 2 HA GLN 1 HA GLN 1 42.236 19.979 20.625 3 HB2 GLN 1 HB2 GLN 1 44.194 20.683 21.539 4 HB3 GLN 1 HB1 GLN 1 43.945 20.105 23.127 5 HG2 GLN 1 HG2 GLN 1 44.192 17.709 22.251 6 HG3 GLN 1 HG1 GLN 1 44.039 18.391 20.659 7 HE21 GLN 1 1HE2 GLN 1 46.356 18.652 23.615 8 HE22 GLN 1 2HE2 GLN 1 47.655 18.575 22.432 9 H ASP 2 H ASP 2 41.044 19.454 23.956 10 HA ASP 2 HA ASP 2 40.938 16.601 23.642 11 HB2 ASP 2 HB2 ASP 2 39.736 18.089 25.809 12 HB3 ASP 2 HB1 ASP 2 40.169 16.426 25.917 13 HA PRO 3 HA PRO 3 36.722 16.250 22.216 14 HB2 PRO 3 HB2 PRO 3 36.031 13.820 23.038 15 HB3 PRO 3 HB1 PRO 3 37.191 14.140 21.762 16 HG2 PRO 3 HG2 PRO 3 37.808 13.391 24.662 17 HG3 PRO 3 HG1 PRO 3 38.540 12.785 23.181 18 HD2 PRO 3 HD2 PRO 3 39.624 14.907 24.701 19 HD3 PRO 3 HD1 PRO 3 40.068 14.697 23.044 20 HA DPR 4 HA DPR 4 33.759 15.926 25.697 21 HB2 DPR 4 HB1 DPR 4 31.550 17.206 24.671 22 HB3 DPR 4 HB2 DPR 4 32.151 15.690 24.105 23 HG2 DPR 4 HG1 DPR 4 33.011 18.440 22.974 24 HG3 DPR 4 HG2 DPR 4 32.228 17.102 22.100 25 HD2 DPR 4 HD1 DPR 4 34.797 17.141 22.009 26 HD3 DPR 4 HD2 DPR 4 33.906 15.634 22.332 27 H LYS 5 H LYS 5 35.972 17.707 25.954 28 HA LYS 5 HA LYS 5 34.925 20.191 27.217 29 HB2 LYS 5 HB2 LYS 5 36.604 18.863 28.210 30 HB3 LYS 5 HB1 LYS 5 37.704 18.972 26.772 31 HG2 LYS 5 HG2 LYS 5 37.966 21.439 27.333 32 HG3 LYS 5 HG1 LYS 5 36.672 21.318 28.523 33 HD2 LYS 5 HD2 LYS 5 38.131 19.916 29.825 34 HD3 LYS 5 HD1 LYS 5 39.375 19.823 28.537 35 HE2 LYS 5 HE2 LYS 5 39.537 22.275 28.497 36 HE3 LYS 5 HE1 LYS 5 38.467 22.416 29.890 37 HZ1 LYS 5 HZ1 LYS 5 40.686 22.575 30.594 38 HZ2 LYS 5 HZ2 LYS 5 41.152 21.278 29.706 39 HZ3 LYS 5 HZ3 LYS 5 40.405 21.022 31.056 40 H DTH 6 H DTH 6 37.374 19.668 24.478 41 HA DTH 6 HA DTH 6 36.359 22.296 23.413 42 HB DTH 6 HB DTH 6 37.648 20.219 21.739 43 HG21 DTH 6 1HG2 DTH 6 34.802 20.352 22.470 44 HG22 DTH 6 2HG2 DTH 6 35.735 18.930 22.643 45 HG23 DTH 6 3HG2 DTH 6 35.210 19.578 20.976 46 HG1 DTH 6 HG1 DTH 6 36.876 21.259 20.277 47 H DAS 7 H DAS 7 38.100 23.129 21.893 48 HA DAS 7 HA DAS 7 40.783 23.362 23.101 49 HB2 DAS 7 HB1 DAS 7 39.785 25.297 21.881 50 HB3 DAS 7 HB2 DAS 7 39.642 24.249 20.466 Start of MODEL 8 1 H1 GLN 1 H1 GLN 1 41.414 21.257 23.306 2 HA GLN 1 HA GLN 1 42.085 19.749 20.814 3 HB2 GLN 1 HB2 GLN 1 43.882 20.288 22.964 4 HB3 GLN 1 HB1 GLN 1 44.292 19.194 21.587 5 HG2 GLN 1 HG2 GLN 1 44.156 20.827 20.004 6 HG3 GLN 1 HG1 GLN 1 43.606 21.996 21.275 7 HE21 GLN 1 1HE2 GLN 1 45.474 23.375 20.238 8 HE22 GLN 1 2HE2 GLN 1 47.135 23.027 20.752 9 H ASP 2 H ASP 2 40.281 19.489 23.437 10 HA ASP 2 HA ASP 2 40.914 16.609 23.766 11 HB2 ASP 2 HB2 ASP 2 39.955 18.069 26.121 12 HB3 ASP 2 HB1 ASP 2 40.657 16.463 25.964 13 HA PRO 3 HA PRO 3 36.873 16.505 22.090 14 HB2 PRO 3 HB2 PRO 3 36.615 13.680 23.085 15 HB3 PRO 3 HB1 PRO 3 36.266 14.345 21.450 16 HG2 PRO 3 HG2 PRO 3 38.617 13.117 21.969 17 HG3 PRO 3 HG1 PRO 3 38.461 14.610 20.962 18 HD2 PRO 3 HD2 PRO 3 39.209 14.292 23.979 19 HD3 PRO 3 HD1 PRO 3 40.086 15.202 22.702 20 HA DPR 4 HA DPR 4 33.755 16.110 25.717 21 HB2 DPR 4 HB1 DPR 4 31.757 17.362 24.809 22 HB3 DPR 4 HB2 DPR 4 32.246 15.792 24.145 23 HG2 DPR 4 HG1 DPR 4 33.111 18.487 22.942 24 HG3 DPR 4 HG2 DPR 4 32.220 17.102 22.173 25 HD2 DPR 4 HD1 DPR 4 35.006 17.297 22.028 26 HD3 DPR 4 HD2 DPR 4 34.119 15.787 22.160 27 H LYS 5 H LYS 5 35.997 17.658 25.925 28 HA LYS 5 HA LYS 5 35.254 19.949 27.406 29 HB2 LYS 5 HB2 LYS 5 37.043 18.314 27.912 30 HB3 LYS 5 HB1 LYS 5 38.062 18.854 26.674 31 HG2 LYS 5 HG2 LYS 5 37.879 21.134 27.576 32 HG3 LYS 5 HG1 LYS 5 37.015 20.610 28.975 33 HD2 LYS 5 HD2 LYS 5 38.948 19.039 29.617 34 HD3 LYS 5 HD1 LYS 5 39.765 19.843 28.271 35 HE2 LYS 5 HE2 LYS 5 39.596 22.083 29.406 36 HE3 LYS 5 HE1 LYS 5 38.626 21.446 30.648 37 HZ1 LYS 5 HZ1 LYS 5 40.976 21.705 31.036 38 HZ2 LYS 5 HZ2 LYS 5 41.406 20.508 30.062 39 HZ3 LYS 5 HZ3 LYS 5 40.436 20.194 31.407 40 H DTH 6 H DTH 6 36.658 19.528 24.195 41 HA DTH 6 HA DTH 6 36.261 22.315 23.359 42 HB DTH 6 HB DTH 6 36.681 21.520 21.161 43 HG21 DTH 6 1HG2 DTH 6 38.141 19.561 21.410 44 HG22 DTH 6 2HG2 DTH 6 36.880 19.295 20.468 45 HG23 DTH 6 3HG2 DTH 6 36.723 18.657 22.138 46 HG1 DTH 6 HG1 DTH 6 34.828 19.825 21.380 47 H DAS 7 H DAS 7 38.014 23.191 21.788 48 HA DAS 7 HA DAS 7 40.648 23.330 23.041 49 HB2 DAS 7 HB1 DAS 7 39.789 25.132 21.851 50 HB3 DAS 7 HB2 DAS 7 39.488 24.193 20.340 Start of MODEL 9 1 H1 GLN 1 H1 GLN 1 42.302 21.498 23.175 2 HA GLN 1 HA GLN 1 42.669 19.765 20.744 3 HB2 GLN 1 HB2 GLN 1 44.468 20.920 22.502 4 HB3 GLN 1 HB1 GLN 1 44.126 19.306 23.155 5 HG2 GLN 1 HG2 GLN 1 44.954 18.257 21.129 6 HG3 GLN 1 HG1 GLN 1 45.039 19.848 20.275 7 HE21 GLN 1 1HE2 GLN 1 46.417 21.550 21.079 8 HE22 GLN 1 2HE2 GLN 1 47.864 21.090 21.913 9 H ASP 2 H ASP 2 40.582 19.673 23.322 10 HA ASP 2 HA ASP 2 40.801 16.787 23.648 11 HB2 ASP 2 HB2 ASP 2 39.486 18.514 25.571 12 HB3 ASP 2 HB1 ASP 2 39.923 16.808 25.679 13 HA PRO 3 HA PRO 3 36.488 16.497 22.113 14 HB2 PRO 3 HB2 PRO 3 35.925 14.013 23.127 15 HB3 PRO 3 HB1 PRO 3 36.750 14.343 21.562 16 HG2 PRO 3 HG2 PRO 3 37.935 13.759 24.402 17 HG3 PRO 3 HG1 PRO 3 38.349 12.968 22.795 18 HD2 PRO 3 HD2 PRO 3 39.628 15.039 23.948 19 HD3 PRO 3 HD1 PRO 3 39.571 15.033 22.092 20 HA DPR 4 HA DPR 4 34.203 16.113 25.995 21 HB2 DPR 4 HB1 DPR 4 31.814 17.138 25.245 22 HB3 DPR 4 HB2 DPR 4 32.386 15.379 25.088 23 HG2 DPR 4 HG1 DPR 4 32.648 17.682 23.090 24 HG3 DPR 4 HG2 DPR 4 31.714 16.254 22.726 25 HD2 DPR 4 HD1 DPR 4 34.328 16.621 21.977 26 HD3 DPR 4 HD2 DPR 4 33.898 15.017 22.684 27 H LYS 5 H LYS 5 35.753 17.659 26.421 28 HA LYS 5 HA LYS 5 35.064 20.103 27.416 29 HB2 LYS 5 HB2 LYS 5 37.835 19.506 26.567 30 HB3 LYS 5 HB1 LYS 5 37.397 20.611 27.810 31 HG2 LYS 5 HG2 LYS 5 36.498 18.602 29.252 32 HG3 LYS 5 HG1 LYS 5 37.181 17.547 28.017 33 HD2 LYS 5 HD2 LYS 5 39.377 18.587 28.281 34 HD3 LYS 5 HD1 LYS 5 38.731 19.491 29.626 35 HE2 LYS 5 HE2 LYS 5 38.013 17.396 30.784 36 HE3 LYS 5 HE1 LYS 5 38.699 16.483 29.405 37 HZ1 LYS 5 HZ1 LYS 5 40.823 17.290 29.872 38 HZ2 LYS 5 HZ2 LYS 5 40.207 16.495 31.257 39 HZ3 LYS 5 HZ3 LYS 5 40.256 18.092 31.163 40 H DTH 6 H DTH 6 36.411 19.582 24.103 41 HA DTH 6 HA DTH 6 36.173 22.382 23.313 42 HB DTH 6 HB DTH 6 36.943 20.305 21.494 43 HG21 DTH 6 1HG2 DTH 6 34.756 19.351 22.445 44 HG22 DTH 6 2HG2 DTH 6 34.608 20.060 20.833 45 HG23 DTH 6 3HG2 DTH 6 34.057 21.010 22.170 46 HG1 DTH 6 HG1 DTH 6 36.681 21.861 20.230 47 H DAS 7 H DAS 7 38.121 22.830 21.648 48 HA DAS 7 HA DAS 7 40.617 23.043 23.226 49 HB2 DAS 7 HB1 DAS 7 39.720 24.859 21.697 50 HB3 DAS 7 HB2 DAS 7 39.780 23.746 20.346 Start of MODEL 10 1 H1 GLN 1 H1 GLN 1 41.963 21.174 23.147 2 HA GLN 1 HA GLN 1 41.756 19.648 20.660 3 HB2 GLN 1 HB2 GLN 1 44.334 19.985 22.247 4 HB3 GLN 1 HB1 GLN 1 44.081 19.138 20.726 5 HG2 GLN 1 HG2 GLN 1 43.449 21.389 19.725 6 HG3 GLN 1 HG1 GLN 1 44.298 22.070 21.211 7 HE21 GLN 1 1HE2 GLN 1 44.668 20.449 17.986 8 HE22 GLN 1 2HE2 GLN 1 46.441 20.441 18.166 9 H ASP 2 H ASP 2 40.266 19.406 23.173 10 HA ASP 2 HA ASP 2 40.877 16.605 23.669 11 HB2 ASP 2 HB2 ASP 2 39.729 18.317 25.759 12 HB3 ASP 2 HB1 ASP 2 40.389 16.730 25.983 13 HA PRO 3 HA PRO 3 36.550 16.523 22.281 14 HB2 PRO 3 HB2 PRO 3 36.873 13.775 23.288 15 HB3 PRO 3 HB1 PRO 3 36.190 14.257 21.783 16 HG2 PRO 3 HG2 PRO 3 38.766 13.204 21.858 17 HG3 PRO 3 HG1 PRO 3 38.532 14.637 20.890 18 HD2 PRO 3 HD2 PRO 3 39.283 14.502 23.922 19 HD3 PRO 3 HD1 PRO 3 40.104 15.265 22.430 20 HA DPR 4 HA DPR 4 33.997 15.594 25.920 21 HB2 DPR 4 HB1 DPR 4 32.185 17.391 24.358 22 HB3 DPR 4 HB2 DPR 4 31.827 15.988 25.479 23 HG2 DPR 4 HG1 DPR 4 31.833 15.767 22.806 24 HG3 DPR 4 HG2 DPR 4 32.740 14.450 23.633 25 HD2 DPR 4 HD1 DPR 4 33.717 17.044 22.479 26 HD3 DPR 4 HD2 DPR 4 34.413 15.429 22.242 27 H LYS 5 H LYS 5 35.853 18.248 25.020 28 HA LYS 5 HA LYS 5 34.709 20.215 26.985 29 HB2 LYS 5 HB2 LYS 5 37.615 19.393 26.647 30 HB3 LYS 5 HB1 LYS 5 37.020 20.497 27.821 31 HG2 LYS 5 HG2 LYS 5 35.595 18.163 28.478 32 HG3 LYS 5 HG1 LYS 5 36.995 17.491 27.610 33 HD2 LYS 5 HD2 LYS 5 38.614 18.554 29.066 34 HD3 LYS 5 HD1 LYS 5 37.259 19.039 30.064 35 HE2 LYS 5 HE2 LYS 5 36.546 16.653 30.398 36 HE3 LYS 5 HE1 LYS 5 38.092 16.253 29.685 37 HZ1 LYS 5 HZ1 LYS 5 37.845 18.076 31.989 38 HZ2 LYS 5 HZ2 LYS 5 39.191 17.324 31.512 39 HZ3 LYS 5 HZ3 LYS 5 37.972 16.410 32.097 40 H DTH 6 H DTH 6 37.050 19.847 24.283 41 HA DTH 6 HA DTH 6 36.453 22.609 23.543 42 HB DTH 6 HB DTH 6 36.942 21.976 21.145 43 HG21 DTH 6 1HG2 DTH 6 36.200 19.966 20.406 44 HG22 DTH 6 2HG2 DTH 6 35.546 19.412 22.098 45 HG23 DTH 6 3HG2 DTH 6 37.195 19.435 21.656 46 HG1 DTH 6 HG1 DTH 6 34.480 21.155 22.220 47 H DAS 7 H DAS 7 38.359 23.587 22.211 48 HA DAS 7 HA DAS 7 40.874 23.164 23.399 49 HB2 DAS 7 HB1 DAS 7 39.900 25.200 22.315 50 HB3 DAS 7 HB2 DAS 7 39.959 24.371 20.813 Start of MODEL 11 1 H1 GLN 1 H1 GLN 1 42.152 21.405 22.800 2 HA GLN 1 HA GLN 1 41.875 19.721 20.400 3 HB2 GLN 1 HB2 GLN 1 44.034 20.616 21.357 4 HB3 GLN 1 HB1 GLN 1 43.776 19.458 22.725 5 HG2 GLN 1 HG2 GLN 1 43.930 17.645 21.249 6 HG3 GLN 1 HG1 GLN 1 43.882 18.636 19.774 7 HE21 GLN 1 1HE2 GLN 1 45.847 18.077 22.660 8 HE22 GLN 1 2HE2 GLN 1 47.385 18.611 21.905 9 H ASP 2 H ASP 2 40.638 19.663 23.710 10 HA ASP 2 HA ASP 2 40.925 16.742 23.939 11 HB2 ASP 2 HB2 ASP 2 39.670 18.665 25.928 12 HB3 ASP 2 HB1 ASP 2 40.175 17.027 26.184 13 HA PRO 3 HA PRO 3 36.992 15.867 22.263 14 HB2 PRO 3 HB2 PRO 3 36.762 13.532 24.001 15 HB3 PRO 3 HB1 PRO 3 36.817 13.658 22.287 16 HG2 PRO 3 HG2 PRO 3 39.021 12.712 24.020 17 HG3 PRO 3 HG1 PRO 3 39.167 13.510 22.403 18 HD2 PRO 3 HD2 PRO 3 39.258 14.717 25.155 19 HD3 PRO 3 HD1 PRO 3 40.345 14.974 23.815 20 HA DPR 4 HA DPR 4 33.690 16.231 25.427 21 HB2 DPR 4 HB1 DPR 4 31.935 17.791 24.107 22 HB3 DPR 4 HB2 DPR 4 32.233 16.043 23.671 23 HG2 DPR 4 HG1 DPR 4 33.341 18.441 22.237 24 HG3 DPR 4 HG2 DPR 4 32.810 16.759 21.636 25 HD2 DPR 4 HD1 DPR 4 35.394 17.486 21.984 26 HD3 DPR 4 HD2 DPR 4 34.746 15.793 21.970 27 H LYS 5 H LYS 5 36.091 17.678 25.971 28 HA LYS 5 HA LYS 5 35.082 19.985 27.393 29 HB2 LYS 5 HB2 LYS 5 37.946 19.605 26.742 30 HB3 LYS 5 HB1 LYS 5 37.169 20.539 27.933 31 HG2 LYS 5 HG2 LYS 5 36.358 18.679 29.130 32 HG3 LYS 5 HG1 LYS 5 37.078 17.460 27.950 33 HD2 LYS 5 HD2 LYS 5 39.197 18.243 28.562 34 HD3 LYS 5 HD1 LYS 5 38.518 19.448 29.733 35 HE2 LYS 5 HE2 LYS 5 37.778 17.473 31.052 36 HE3 LYS 5 HE1 LYS 5 38.733 16.452 30.000 37 HZ1 LYS 5 HZ1 LYS 5 40.088 17.039 31.898 38 HZ2 LYS 5 HZ2 LYS 5 39.828 18.687 31.577 39 HZ3 LYS 5 HZ3 LYS 5 40.628 17.651 30.548 40 H DTH 6 H DTH 6 36.890 19.694 24.312 41 HA DTH 6 HA DTH 6 36.504 22.600 23.827 42 HB DTH 6 HB DTH 6 36.526 20.226 22.029 43 HG21 DTH 6 1HG2 DTH 6 34.098 20.964 23.024 44 HG22 DTH 6 2HG2 DTH 6 34.348 20.919 21.294 45 HG23 DTH 6 3HG2 DTH 6 34.522 22.468 22.241 46 HG1 DTH 6 HG1 DTH 6 36.617 21.540 20.324 47 H DAS 7 H DAS 7 38.238 23.734 22.572 48 HA DAS 7 HA DAS 7 40.943 23.209 23.097 49 HB2 DAS 7 HB1 DAS 7 39.816 25.119 21.838 50 HB3 DAS 7 HB2 DAS 7 39.589 23.964 20.559 Start of MODEL 12 1 H1 GLN 1 H1 GLN 1 42.507 21.681 22.338 2 HA GLN 1 HA GLN 1 41.764 19.612 20.652 3 HB2 GLN 1 HB2 GLN 1 44.236 19.949 22.362 4 HB3 GLN 1 HB1 GLN 1 44.010 18.528 21.436 5 HG2 GLN 1 HG2 GLN 1 43.578 19.789 19.427 6 HG3 GLN 1 HG1 GLN 1 43.930 21.371 20.297 7 HE21 GLN 1 1HE2 GLN 1 45.260 19.986 17.727 8 HE22 GLN 1 2HE2 GLN 1 46.886 20.056 18.239 9 H ASP 2 H ASP 2 40.378 19.707 23.598 10 HA ASP 2 HA ASP 2 40.877 16.808 24.075 11 HB2 ASP 2 HB2 ASP 2 39.285 18.682 25.823 12 HB3 ASP 2 HB1 ASP 2 39.821 17.135 26.263 13 HA PRO 3 HA PRO 3 36.872 16.572 22.148 14 HB2 PRO 3 HB2 PRO 3 36.742 13.841 23.219 15 HB3 PRO 3 HB1 PRO 3 36.459 14.430 21.562 16 HG2 PRO 3 HG2 PRO 3 38.846 13.136 22.073 17 HG3 PRO 3 HG1 PRO 3 38.793 14.584 21.054 18 HD2 PRO 3 HD2 PRO 3 39.485 14.468 24.015 19 HD3 PRO 3 HD1 PRO 3 40.282 15.238 22.635 20 HA DPR 4 HA DPR 4 33.964 15.994 25.548 21 HB2 DPR 4 HB1 DPR 4 31.729 17.183 24.630 22 HB3 DPR 4 HB2 DPR 4 32.371 15.732 23.693 23 HG2 DPR 4 HG1 DPR 4 32.946 18.586 22.970 24 HG3 DPR 4 HG2 DPR 4 32.338 17.170 22.047 25 HD2 DPR 4 HD1 DPR 4 35.059 17.993 22.260 26 HD3 DPR 4 HD2 DPR 4 34.394 16.374 21.778 27 H LYS 5 H LYS 5 36.040 17.777 25.709 28 HA LYS 5 HA LYS 5 34.813 19.992 27.271 29 HB2 LYS 5 HB2 LYS 5 36.391 18.533 28.410 30 HB3 LYS 5 HB1 LYS 5 37.578 18.841 27.202 31 HG2 LYS 5 HG2 LYS 5 37.279 21.366 28.038 32 HG3 LYS 5 HG1 LYS 5 36.214 20.544 29.211 33 HD2 LYS 5 HD2 LYS 5 38.258 19.465 30.169 34 HD3 LYS 5 HD1 LYS 5 39.234 19.957 28.794 35 HE2 LYS 5 HE2 LYS 5 38.772 22.354 29.600 36 HE3 LYS 5 HE1 LYS 5 37.893 21.667 30.942 37 HZ1 LYS 5 HZ1 LYS 5 40.780 21.258 30.333 38 HZ2 LYS 5 HZ2 LYS 5 40.032 20.532 31.584 39 HZ3 LYS 5 HZ3 LYS 5 40.214 22.156 31.528 40 H DTH 6 H DTH 6 37.298 19.801 24.471 41 HA DTH 6 HA DTH 6 36.668 22.612 24.119 42 HB DTH 6 HB DTH 6 36.464 20.491 21.956 43 HG21 DTH 6 1HG2 DTH 6 34.223 21.971 23.481 44 HG22 DTH 6 2HG2 DTH 6 34.464 20.232 23.387 45 HG23 DTH 6 3HG2 DTH 6 33.922 21.052 22.040 46 HG1 DTH 6 HG1 DTH 6 35.683 23.171 22.041 47 H DAS 7 H DAS 7 38.062 23.308 22.038 48 HA DAS 7 HA DAS 7 40.773 23.291 22.799 49 HB2 DAS 7 HB1 DAS 7 39.468 24.628 21.025 50 HB3 DAS 7 HB2 DAS 7 39.980 23.379 19.881 Start of MODEL 13 1 H1 GLN 1 H1 GLN 1 42.115 21.307 22.828 2 HA GLN 1 HA GLN 1 41.395 19.679 20.459 3 HB2 GLN 1 HB2 GLN 1 44.142 19.774 21.788 4 HB3 GLN 1 HB1 GLN 1 43.824 18.732 20.443 5 HG2 GLN 1 HG2 GLN 1 43.362 20.551 18.875 6 HG3 GLN 1 HG1 GLN 1 43.710 21.692 20.198 7 HE21 GLN 1 1HE2 GLN 1 45.750 22.514 20.048 8 HE22 GLN 1 2HE2 GLN 1 47.016 21.572 19.330 9 H ASP 2 H ASP 2 40.453 19.634 23.238 10 HA ASP 2 HA ASP 2 40.954 16.788 23.911 11 HB2 ASP 2 HB2 ASP 2 39.833 18.808 25.886 12 HB3 ASP 2 HB1 ASP 2 40.319 17.048 26.054 13 HA PRO 3 HA PRO 3 36.893 16.406 22.485 14 HB2 PRO 3 HB2 PRO 3 36.248 13.727 23.058 15 HB3 PRO 3 HB1 PRO 3 37.517 14.174 21.834 16 HG2 PRO 3 HG2 PRO 3 38.000 13.188 24.541 17 HG3 PRO 3 HG1 PRO 3 38.833 12.832 22.961 18 HD2 PRO 3 HD2 PRO 3 39.859 14.671 24.737 19 HD3 PRO 3 HD1 PRO 3 39.965 14.900 22.977 20 HA DPR 4 HA DPR 4 33.538 15.746 25.517 21 HB2 DPR 4 HB1 DPR 4 32.023 17.943 24.612 22 HB3 DPR 4 HB2 DPR 4 31.713 16.217 24.302 23 HG2 DPR 4 HG1 DPR 4 32.768 18.118 22.338 24 HG3 DPR 4 HG2 DPR 4 32.269 16.413 22.180 25 HD2 DPR 4 HD1 DPR 4 34.828 17.606 22.246 26 HD3 DPR 4 HD2 DPR 4 34.516 15.865 21.956 27 H LYS 5 H LYS 5 35.539 18.472 24.674 28 HA LYS 5 HA LYS 5 34.837 19.930 27.056 29 HB2 LYS 5 HB2 LYS 5 36.487 18.271 27.690 30 HB3 LYS 5 HB1 LYS 5 37.681 18.743 26.447 31 HG2 LYS 5 HG2 LYS 5 38.062 20.890 27.465 32 HG3 LYS 5 HG1 LYS 5 36.720 20.492 28.668 33 HD2 LYS 5 HD2 LYS 5 38.371 18.431 29.073 34 HD3 LYS 5 HD1 LYS 5 39.536 19.371 28.241 35 HE2 LYS 5 HE2 LYS 5 39.842 20.122 30.506 36 HE3 LYS 5 HE1 LYS 5 38.737 21.345 29.795 37 HZ1 LYS 5 HZ1 LYS 5 38.027 20.385 31.995 38 HZ2 LYS 5 HZ2 LYS 5 37.749 18.972 31.192 39 HZ3 LYS 5 HZ3 LYS 5 36.913 20.320 30.863 40 H DTH 6 H DTH 6 37.224 19.817 24.387 41 HA DTH 6 HA DTH 6 36.580 22.703 23.787 42 HB DTH 6 HB DTH 6 36.335 22.386 21.643 43 HG21 DTH 6 1HG2 DTH 6 36.897 19.469 21.851 44 HG22 DTH 6 2HG2 DTH 6 38.132 20.593 21.320 45 HG23 DTH 6 3HG2 DTH 6 36.618 20.412 20.292 46 HG1 DTH 6 HG1 DTH 6 34.586 21.462 22.840 47 H DAS 7 H DAS 7 38.392 23.665 22.350 48 HA DAS 7 HA DAS 7 41.084 23.130 23.254 49 HB2 DAS 7 HB1 DAS 7 40.079 25.212 22.385 50 HB3 DAS 7 HB2 DAS 7 40.089 24.505 20.770 Start of MODEL 14 1 H1 GLN 1 H1 GLN 1 42.277 21.429 22.897 2 HA GLN 1 HA GLN 1 41.991 19.665 20.568 3 HB2 GLN 1 HB2 GLN 1 44.228 19.773 22.483 4 HB3 GLN 1 HB1 GLN 1 44.159 18.776 20.965 5 HG2 GLN 1 HG2 GLN 1 44.212 21.055 19.761 6 HG3 GLN 1 HG1 GLN 1 44.435 21.846 21.262 7 HE21 GLN 1 1HE2 GLN 1 46.165 22.356 19.376 8 HE22 GLN 1 2HE2 GLN 1 47.640 21.489 19.556 9 H ASP 2 H ASP 2 40.510 19.672 23.245 10 HA ASP 2 HA ASP 2 40.849 16.945 23.920 11 HB2 ASP 2 HB2 ASP 2 39.890 19.119 25.628 12 HB3 ASP 2 HB1 ASP 2 39.839 17.497 26.193 13 HA PRO 3 HA PRO 3 36.754 16.313 22.058 14 HB2 PRO 3 HB2 PRO 3 37.098 13.782 23.509 15 HB3 PRO 3 HB1 PRO 3 36.433 14.020 21.875 16 HG2 PRO 3 HG2 PRO 3 39.041 13.261 22.117 17 HG3 PRO 3 HG1 PRO 3 38.600 14.463 20.900 18 HD2 PRO 3 HD2 PRO 3 40.011 14.970 23.410 19 HD3 PRO 3 HD1 PRO 3 40.028 15.954 22.011 20 HA DPR 4 HA DPR 4 33.942 15.744 25.729 21 HB2 DPR 4 HB1 DPR 4 31.768 17.373 24.994 22 HB3 DPR 4 HB2 DPR 4 31.998 15.748 24.409 23 HG2 DPR 4 HG1 DPR 4 32.904 18.475 23.255 24 HG3 DPR 4 HG2 DPR 4 32.110 17.157 22.365 25 HD2 DPR 4 HD1 DPR 4 34.771 17.602 22.261 26 HD3 DPR 4 HD2 DPR 4 34.150 15.917 22.175 27 H LYS 5 H LYS 5 35.940 18.072 25.208 28 HA LYS 5 HA LYS 5 34.855 19.989 27.170 29 HB2 LYS 5 HB2 LYS 5 36.718 18.465 28.072 30 HB3 LYS 5 HB1 LYS 5 37.714 18.970 26.739 31 HG2 LYS 5 HG2 LYS 5 37.936 21.028 27.530 32 HG3 LYS 5 HG1 LYS 5 36.559 20.938 28.784 33 HD2 LYS 5 HD2 LYS 5 39.323 19.616 28.809 34 HD3 LYS 5 HD1 LYS 5 38.770 20.925 29.731 35 HE2 LYS 5 HE2 LYS 5 37.029 19.386 30.812 36 HE3 LYS 5 HE1 LYS 5 37.847 18.039 29.987 37 HZ1 LYS 5 HZ1 LYS 5 39.859 18.827 31.035 38 HZ2 LYS 5 HZ2 LYS 5 38.884 18.416 32.255 39 HZ3 LYS 5 HZ3 LYS 5 39.110 19.947 31.881 40 H DTH 6 H DTH 6 37.207 19.887 24.427 41 HA DTH 6 HA DTH 6 36.574 22.717 23.857 42 HB DTH 6 HB DTH 6 36.293 22.372 21.569 43 HG21 DTH 6 1HG2 DTH 6 36.705 19.415 22.087 44 HG22 DTH 6 2HG2 DTH 6 37.704 20.457 21.020 45 HG23 DTH 6 3HG2 DTH 6 36.055 20.166 20.571 46 HG1 DTH 6 HG1 DTH 6 34.305 21.855 22.749 47 H DAS 7 H DAS 7 38.200 23.314 22.169 48 HA DAS 7 HA DAS 7 40.873 23.019 23.174 49 HB2 DAS 7 HB1 DAS 7 40.122 24.893 21.708 50 HB3 DAS 7 HB2 DAS 7 40.348 23.736 20.329 Start of MODEL 15 1 H1 GLN 1 H1 GLN 1 42.176 21.465 22.963 2 HA GLN 1 HA GLN 1 42.160 19.568 20.700 3 HB2 GLN 1 HB2 GLN 1 44.201 19.861 22.973 4 HB3 GLN 1 HB1 GLN 1 44.264 18.754 21.515 5 HG2 GLN 1 HG2 GLN 1 44.546 20.697 20.032 6 HG3 GLN 1 HG1 GLN 1 44.207 21.817 21.305 7 HE21 GLN 1 1HE2 GLN 1 46.195 22.853 21.015 8 HE22 GLN 1 2HE2 GLN 1 47.734 21.950 21.280 9 H ASP 2 H ASP 2 40.702 19.681 23.366 10 HA ASP 2 HA ASP 2 40.537 16.779 23.999 11 HB2 ASP 2 HB2 ASP 2 39.906 19.116 25.685 12 HB3 ASP 2 HB1 ASP 2 39.744 17.433 26.259 13 HA PRO 3 HA PRO 3 36.398 17.045 22.264 14 HB2 PRO 3 HB2 PRO 3 36.882 14.075 22.482 15 HB3 PRO 3 HB1 PRO 3 36.187 15.067 21.089 16 HG2 PRO 3 HG2 PRO 3 38.827 14.146 20.811 17 HG3 PRO 3 HG1 PRO 3 38.187 15.629 20.261 18 HD2 PRO 3 HD2 PRO 3 39.676 15.057 22.845 19 HD3 PRO 3 HD1 PRO 3 39.965 16.307 21.586 20 HA DPR 4 HA DPR 4 34.090 15.515 25.848 21 HB2 DPR 4 HB1 DPR 4 32.335 17.666 24.987 22 HB3 DPR 4 HB2 DPR 4 31.910 15.920 25.339 23 HG2 DPR 4 HG1 DPR 4 31.853 16.832 22.754 24 HG3 DPR 4 HG2 DPR 4 32.492 15.218 23.115 25 HD2 DPR 4 HD1 DPR 4 33.983 17.739 22.714 26 HD3 DPR 4 HD2 DPR 4 34.324 16.168 21.996 27 H LYS 5 H LYS 5 36.030 18.122 25.076 28 HA LYS 5 HA LYS 5 34.786 19.860 27.072 29 HB2 LYS 5 HB2 LYS 5 36.630 18.764 28.239 30 HB3 LYS 5 HB1 LYS 5 37.704 18.993 26.795 31 HG2 LYS 5 HG2 LYS 5 37.868 21.268 27.133 32 HG3 LYS 5 HG1 LYS 5 36.744 21.193 28.535 33 HD2 LYS 5 HD2 LYS 5 38.532 19.445 29.449 34 HD3 LYS 5 HD1 LYS 5 39.490 19.972 28.086 35 HE2 LYS 5 HE2 LYS 5 38.732 21.546 30.507 36 HE3 LYS 5 HE1 LYS 5 40.306 20.952 30.073 37 HZ1 LYS 5 HZ1 LYS 5 40.067 23.246 29.602 38 HZ2 LYS 5 HZ2 LYS 5 38.737 23.000 28.624 39 HZ3 LYS 5 HZ3 LYS 5 40.213 22.518 28.116 40 H DTH 6 H DTH 6 37.253 19.791 24.437 41 HA DTH 6 HA DTH 6 36.517 22.640 23.908 42 HB DTH 6 HB DTH 6 36.398 22.205 21.493 43 HG21 DTH 6 1HG2 DTH 6 36.159 19.997 20.526 44 HG22 DTH 6 2HG2 DTH 6 35.977 19.313 22.184 45 HG23 DTH 6 3HG2 DTH 6 37.538 19.857 21.665 46 HG1 DTH 6 HG1 DTH 6 34.494 22.430 22.103 47 H DAS 7 H DAS 7 38.299 23.389 21.931 48 HA DAS 7 HA DAS 7 40.889 23.107 22.926 49 HB2 DAS 7 HB1 DAS 7 40.259 24.864 21.558 50 HB3 DAS 7 HB2 DAS 7 39.803 23.864 20.224 Start of MODEL 16 1 H1 GLN 1 H1 GLN 1 41.871 21.327 23.313 2 HA GLN 1 HA GLN 1 42.034 19.740 20.748 3 HB2 GLN 1 HB2 GLN 1 44.248 20.154 22.682 4 HB3 GLN 1 HB1 GLN 1 44.220 19.202 21.178 5 HG2 GLN 1 HG2 GLN 1 43.838 22.150 21.406 6 HG3 GLN 1 HG1 GLN 1 45.337 21.459 20.851 7 HE21 GLN 1 1HE2 GLN 1 43.305 23.482 19.636 8 HE22 GLN 1 2HE2 GLN 1 43.089 22.728 18.042 9 H ASP 2 H ASP 2 40.327 19.415 23.516 10 HA ASP 2 HA ASP 2 40.860 16.576 23.431 11 HB2 ASP 2 HB2 ASP 2 40.067 18.010 25.993 12 HB3 ASP 2 HB1 ASP 2 40.397 16.367 25.702 13 HA PRO 3 HA PRO 3 36.726 16.551 22.387 14 HB2 PRO 3 HB2 PRO 3 35.926 13.939 22.624 15 HB3 PRO 3 HB1 PRO 3 37.116 14.616 21.478 16 HG2 PRO 3 HG2 PRO 3 37.643 13.260 24.205 17 HG3 PRO 3 HG1 PRO 3 38.334 12.884 22.586 18 HD2 PRO 3 HD2 PRO 3 39.480 14.613 24.508 19 HD3 PRO 3 HD1 PRO 3 39.921 14.660 22.806 20 HA DPR 4 HA DPR 4 33.747 16.117 25.721 21 HB2 DPR 4 HB1 DPR 4 31.756 17.408 24.585 22 HB3 DPR 4 HB2 DPR 4 32.159 15.651 24.359 23 HG2 DPR 4 HG1 DPR 4 32.778 18.078 22.722 24 HG3 DPR 4 HG2 DPR 4 32.115 16.612 22.013 25 HD2 DPR 4 HD1 DPR 4 34.836 17.073 21.844 26 HD3 DPR 4 HD2 DPR 4 34.294 15.511 22.245 27 H LYS 5 H LYS 5 35.947 17.695 25.790 28 HA LYS 5 HA LYS 5 35.159 20.036 27.361 29 HB2 LYS 5 HB2 LYS 5 37.902 19.038 26.432 30 HB3 LYS 5 HB1 LYS 5 37.702 20.525 27.232 31 HG2 LYS 5 HG2 LYS 5 36.866 19.830 29.200 32 HG3 LYS 5 HG1 LYS 5 36.347 18.206 28.656 33 HD2 LYS 5 HD2 LYS 5 38.770 17.571 28.583 34 HD3 LYS 5 HD1 LYS 5 39.175 19.185 29.271 35 HE2 LYS 5 HE2 LYS 5 37.690 18.758 31.090 36 HE3 LYS 5 HE1 LYS 5 37.523 17.075 30.619 37 HZ1 LYS 5 HZ1 LYS 5 39.814 16.775 30.805 38 HZ2 LYS 5 HZ2 LYS 5 39.194 17.174 32.287 39 HZ3 LYS 5 HZ3 LYS 5 40.021 18.319 31.405 40 H DTH 6 H DTH 6 36.902 19.620 24.242 41 HA DTH 6 HA DTH 6 36.333 22.460 23.576 42 HB DTH 6 HB DTH 6 36.542 21.897 21.331 43 HG21 DTH 6 1HG2 DTH 6 37.739 19.488 21.872 44 HG22 DTH 6 2HG2 DTH 6 36.652 19.583 20.519 45 HG23 DTH 6 3HG2 DTH 6 36.069 18.851 21.977 46 HG1 DTH 6 HG1 DTH 6 34.700 21.917 22.455 47 H DAS 7 H DAS 7 38.101 23.263 21.855 48 HA DAS 7 HA DAS 7 40.607 23.249 23.153 49 HB2 DAS 7 HB1 DAS 7 39.556 25.093 21.773 50 HB3 DAS 7 HB2 DAS 7 39.839 24.016 20.373 Start of MODEL 17 1 H1 GLN 1 H1 GLN 1 41.762 21.266 23.123 2 HA GLN 1 HA GLN 1 42.293 19.600 20.752 3 HB2 GLN 1 HB2 GLN 1 43.961 20.144 23.251 4 HB3 GLN 1 HB1 GLN 1 44.293 19.055 21.929 5 HG2 GLN 1 HG2 GLN 1 43.996 22.081 21.561 6 HG3 GLN 1 HG1 GLN 1 45.509 21.224 21.545 7 HE21 GLN 1 1HE2 GLN 1 43.220 22.548 19.563 8 HE22 GLN 1 2HE2 GLN 1 43.898 21.688 18.132 9 H ASP 2 H ASP 2 40.265 19.508 23.353 10 HA ASP 2 HA ASP 2 40.817 16.705 24.118 11 HB2 ASP 2 HB2 ASP 2 39.618 18.608 26.086 12 HB3 ASP 2 HB1 ASP 2 40.044 16.942 26.234 13 HA PRO 3 HA PRO 3 36.605 16.763 21.997 14 HB2 PRO 3 HB2 PRO 3 37.242 13.951 22.669 15 HB3 PRO 3 HB1 PRO 3 36.318 14.580 21.279 16 HG2 PRO 3 HG2 PRO 3 38.859 13.766 21.029 17 HG3 PRO 3 HG1 PRO 3 38.386 15.347 20.301 18 HD2 PRO 3 HD2 PRO 3 39.604 14.677 23.058 19 HD3 PRO 3 HD1 PRO 3 40.113 16.034 22.005 20 HA DPR 4 HA DPR 4 34.025 15.700 25.412 21 HB2 DPR 4 HB1 DPR 4 32.098 17.803 25.275 22 HB3 DPR 4 HB2 DPR 4 31.990 16.224 24.491 23 HG2 DPR 4 HG1 DPR 4 32.987 18.871 23.407 24 HG3 DPR 4 HG2 DPR 4 32.099 17.654 22.480 25 HD2 DPR 4 HD1 DPR 4 34.735 17.751 22.115 26 HD3 DPR 4 HD2 DPR 4 33.894 16.209 22.139 27 H LYS 5 H LYS 5 35.740 18.257 24.931 28 HA LYS 5 HA LYS 5 34.918 19.973 27.178 29 HB2 LYS 5 HB2 LYS 5 36.546 18.616 28.280 30 HB3 LYS 5 HB1 LYS 5 37.782 18.870 27.121 31 HG2 LYS 5 HG2 LYS 5 37.926 21.227 27.699 32 HG3 LYS 5 HG1 LYS 5 36.447 21.273 28.580 33 HD2 LYS 5 HD2 LYS 5 38.657 19.604 29.687 34 HD3 LYS 5 HD1 LYS 5 38.366 21.302 30.120 35 HE2 LYS 5 HE2 LYS 5 35.969 20.745 30.672 36 HE3 LYS 5 HE1 LYS 5 36.427 19.106 30.372 37 HZ1 LYS 5 HZ1 LYS 5 37.992 19.283 32.246 38 HZ2 LYS 5 HZ2 LYS 5 36.495 19.624 32.717 39 HZ3 LYS 5 HZ3 LYS 5 37.581 20.848 32.517 40 H DTH 6 H DTH 6 37.344 19.755 24.553 41 HA DTH 6 HA DTH 6 36.544 22.516 23.840 42 HB DTH 6 HB DTH 6 36.375 21.738 21.491 43 HG21 DTH 6 1HG2 DTH 6 36.230 18.950 22.523 44 HG22 DTH 6 2HG2 DTH 6 37.523 19.686 21.509 45 HG23 DTH 6 3HG2 DTH 6 35.887 19.585 20.839 46 HG1 DTH 6 HG1 DTH 6 34.277 21.813 22.025 47 H DAS 7 H DAS 7 38.054 23.448 22.064 48 HA DAS 7 HA DAS 7 40.699 23.284 22.823 49 HB2 DAS 7 HB1 DAS 7 39.818 25.008 21.512 50 HB3 DAS 7 HB2 DAS 7 39.599 24.013 20.108 Start of MODEL 18 1 H1 GLN 1 H1 GLN 1 42.065 21.444 22.775 2 HA GLN 1 HA GLN 1 42.046 19.614 20.487 3 HB2 GLN 1 HB2 GLN 1 43.513 19.237 23.053 4 HB3 GLN 1 HB1 GLN 1 43.827 18.549 21.448 5 HG2 GLN 1 HG2 GLN 1 44.401 21.443 21.929 6 HG3 GLN 1 HG1 GLN 1 45.543 20.141 22.244 7 HE21 GLN 1 1HE2 GLN 1 43.519 21.976 19.951 8 HE22 GLN 1 2HE2 GLN 1 44.379 21.434 18.519 9 H ASP 2 H ASP 2 40.763 19.606 23.716 10 HA ASP 2 HA ASP 2 40.918 16.675 23.947 11 HB2 ASP 2 HB2 ASP 2 39.767 18.717 25.944 12 HB3 ASP 2 HB1 ASP 2 40.368 16.943 26.153 13 HA PRO 3 HA PRO 3 36.985 16.268 22.232 14 HB2 PRO 3 HB2 PRO 3 36.281 13.676 22.584 15 HB3 PRO 3 HB1 PRO 3 37.709 14.220 21.573 16 HG2 PRO 3 HG2 PRO 3 37.812 13.265 24.402 17 HG3 PRO 3 HG1 PRO 3 38.745 12.675 22.932 18 HD2 PRO 3 HD2 PRO 3 39.893 14.518 24.585 19 HD3 PRO 3 HD1 PRO 3 39.980 14.697 22.879 20 HA DPR 4 HA DPR 4 33.703 15.763 25.303 21 HB2 DPR 4 HB1 DPR 4 32.771 18.337 23.993 22 HB3 DPR 4 HB2 DPR 4 31.838 16.983 24.613 23 HG2 DPR 4 HG1 DPR 4 32.591 17.473 21.918 24 HG3 DPR 4 HG2 DPR 4 32.400 15.790 22.361 25 HD2 DPR 4 HD1 DPR 4 34.959 17.436 22.073 26 HD3 DPR 4 HD2 DPR 4 34.706 15.717 21.854 27 H LYS 5 H LYS 5 36.182 18.148 25.027 28 HA LYS 5 HA LYS 5 34.997 19.899 27.214 29 HB2 LYS 5 HB2 LYS 5 36.986 18.488 27.796 30 HB3 LYS 5 HB1 LYS 5 37.798 19.161 26.371 31 HG2 LYS 5 HG2 LYS 5 37.773 21.363 27.247 32 HG3 LYS 5 HG1 LYS 5 36.817 21.071 28.621 33 HD2 LYS 5 HD2 LYS 5 38.462 19.526 29.508 34 HD3 LYS 5 HD1 LYS 5 39.572 20.071 28.311 35 HE2 LYS 5 HE2 LYS 5 39.586 22.406 28.939 36 HE3 LYS 5 HE1 LYS 5 38.469 22.014 30.245 37 HZ1 LYS 5 HZ1 LYS 5 41.175 21.033 29.862 38 HZ2 LYS 5 HZ2 LYS 5 40.210 20.537 31.152 39 HZ3 LYS 5 HZ3 LYS 5 40.699 22.116 31.002 40 H DTH 6 H DTH 6 37.254 20.100 24.481 41 HA DTH 6 HA DTH 6 36.535 23.027 24.042 42 HB DTH 6 HB DTH 6 36.958 21.219 21.683 43 HG21 DTH 6 1HG2 DTH 6 34.971 20.260 22.896 44 HG22 DTH 6 2HG2 DTH 6 34.389 21.021 21.349 45 HG23 DTH 6 3HG2 DTH 6 34.262 21.796 22.956 46 HG1 DTH 6 HG1 DTH 6 35.971 22.917 20.793 47 H DAS 7 H DAS 7 38.278 23.629 22.093 48 HA DAS 7 HA DAS 7 40.905 23.183 22.965 49 HB2 DAS 7 HB1 DAS 7 40.070 25.026 21.427 50 HB3 DAS 7 HB2 DAS 7 39.814 23.925 20.139 Start of MODEL 19 1 H1 GLN 1 H1 GLN 1 41.863 21.312 23.455 2 HA GLN 1 HA GLN 1 42.631 20.010 20.875 3 HB2 GLN 1 HB2 GLN 1 44.002 19.965 23.417 4 HB3 GLN 1 HB1 GLN 1 44.356 19.097 21.905 5 HG2 GLN 1 HG2 GLN 1 44.575 21.228 20.773 6 HG3 GLN 1 HG1 GLN 1 44.323 22.195 22.205 7 HE21 GLN 1 1HE2 GLN 1 46.210 23.013 21.305 8 HE22 GLN 1 2HE2 GLN 1 47.823 22.366 21.590 9 H ASP 2 H ASP 2 40.422 19.560 23.466 10 HA ASP 2 HA ASP 2 40.607 16.586 23.233 11 HB2 ASP 2 HB2 ASP 2 39.674 18.274 25.585 12 HB3 ASP 2 HB1 ASP 2 39.812 16.453 25.457 13 HA PRO 3 HA PRO 3 36.404 16.215 22.127 14 HB2 PRO 3 HB2 PRO 3 35.697 13.868 22.906 15 HB3 PRO 3 HB1 PRO 3 36.742 14.182 21.474 16 HG2 PRO 3 HG2 PRO 3 37.803 13.347 24.107 17 HG3 PRO 3 HG1 PRO 3 38.252 12.790 22.496 18 HD2 PRO 3 HD2 PRO 3 39.691 14.824 23.864 19 HD3 PRO 3 HD1 PRO 3 39.576 14.726 22.104 20 HA DPR 4 HA DPR 4 34.277 16.000 26.246 21 HB2 DPR 4 HB1 DPR 4 31.756 16.566 25.508 22 HB3 DPR 4 HB2 DPR 4 32.580 15.152 24.780 23 HG2 DPR 4 HG1 DPR 4 32.433 17.848 23.570 24 HG3 DPR 4 HG2 DPR 4 31.768 16.299 22.931 25 HD2 DPR 4 HD1 DPR 4 34.432 17.111 22.362 26 HD3 DPR 4 HD2 DPR 4 33.898 15.437 22.538 27 H LYS 5 H LYS 5 36.160 17.864 25.958 28 HA LYS 5 HA LYS 5 34.848 20.239 27.023 29 HB2 LYS 5 HB2 LYS 5 36.842 19.235 28.171 30 HB3 LYS 5 HB1 LYS 5 37.814 19.632 26.727 31 HG2 LYS 5 HG2 LYS 5 37.583 22.015 27.121 32 HG3 LYS 5 HG1 LYS 5 36.364 21.654 28.434 33 HD2 LYS 5 HD2 LYS 5 38.084 20.556 29.778 34 HD3 LYS 5 HD1 LYS 5 39.242 20.735 28.398 35 HE2 LYS 5 HE2 LYS 5 39.102 23.049 28.396 36 HE3 LYS 5 HE1 LYS 5 37.856 23.144 29.648 37 HZ1 LYS 5 HZ1 LYS 5 40.486 21.917 29.992 38 HZ2 LYS 5 HZ2 LYS 5 39.352 22.283 31.215 39 HZ3 LYS 5 HZ3 LYS 5 40.230 23.407 30.606 40 H DTH 6 H DTH 6 37.112 19.665 24.234 41 HA DTH 6 HA DTH 6 36.479 22.406 23.327 42 HB DTH 6 HB DTH 6 35.712 20.111 21.966 43 HG21 DTH 6 1HG2 DTH 6 35.956 21.319 19.814 44 HG22 DTH 6 2HG2 DTH 6 37.404 22.153 20.429 45 HG23 DTH 6 3HG2 DTH 6 35.795 22.596 21.017 46 HG1 DTH 6 HG1 DTH 6 37.655 19.159 21.952 47 H DAS 7 H DAS 7 38.192 23.416 22.272 48 HA DAS 7 HA DAS 7 40.818 23.337 23.293 49 HB2 DAS 7 HB1 DAS 7 39.672 25.187 22.052 50 HB3 DAS 7 HB2 DAS 7 39.734 24.258 20.614 Start of MODEL 20 1 H1 GLN 1 H1 GLN 1 42.108 21.330 23.044 2 HA GLN 1 HA GLN 1 41.910 19.828 20.443 3 HB2 GLN 1 HB2 GLN 1 44.104 21.032 21.243 4 HB3 GLN 1 HB1 GLN 1 44.304 19.512 22.172 5 HG2 GLN 1 HG2 GLN 1 45.456 19.587 20.107 6 HG3 GLN 1 HG1 GLN 1 44.248 18.240 20.108 7 HE21 GLN 1 1HE2 GLN 1 42.940 18.061 18.393 8 HE22 GLN 1 2HE2 GLN 1 42.741 19.409 17.175 9 H ASP 2 H ASP 2 40.489 19.558 23.342 10 HA ASP 2 HA ASP 2 40.903 16.624 23.557 11 HB2 ASP 2 HB2 ASP 2 39.898 18.511 25.654 12 HB3 ASP 2 HB1 ASP 2 40.277 16.828 25.989 13 HA PRO 3 HA PRO 3 36.739 16.538 22.333 14 HB2 PRO 3 HB2 PRO 3 35.951 13.937 22.773 15 HB3 PRO 3 HB1 PRO 3 36.970 14.464 21.521 16 HG2 PRO 3 HG2 PRO 3 37.900 13.385 24.200 17 HG3 PRO 3 HG1 PRO 3 38.498 12.860 22.565 18 HD2 PRO 3 HD2 PRO 3 39.914 14.600 23.927 19 HD3 PRO 3 HD1 PRO 3 39.697 14.806 22.213 20 HA DPR 4 HA DPR 4 33.963 16.274 26.066 21 HB2 DPR 4 HB1 DPR 4 31.798 17.041 24.835 22 HB3 DPR 4 HB2 DPR 4 32.330 15.329 24.599 23 HG2 DPR 4 HG1 DPR 4 32.523 17.776 22.733 24 HG3 DPR 4 HG2 DPR 4 32.169 16.111 22.404 25 HD2 DPR 4 HD1 DPR 4 34.660 17.173 22.146 26 HD3 DPR 4 HD2 DPR 4 34.297 15.455 22.258 27 H LYS 5 H LYS 5 35.918 17.845 26.123 28 HA LYS 5 HA LYS 5 34.713 20.138 27.241 29 HB2 LYS 5 HB2 LYS 5 36.547 19.267 28.253 30 HB3 LYS 5 HB1 LYS 5 37.560 19.366 26.799 31 HG2 LYS 5 HG2 LYS 5 37.640 21.918 27.163 32 HG3 LYS 5 HG1 LYS 5 36.541 21.706 28.448 33 HD2 LYS 5 HD2 LYS 5 38.123 20.130 29.609 34 HD3 LYS 5 HD1 LYS 5 39.247 20.392 28.239 35 HE2 LYS 5 HE2 LYS 5 38.341 22.800 29.817 36 HE3 LYS 5 HE1 LYS 5 39.682 21.796 30.375 37 HZ1 LYS 5 HZ1 LYS 5 40.674 23.389 29.019 38 HZ2 LYS 5 HZ2 LYS 5 39.478 23.561 28.014 39 HZ3 LYS 5 HZ3 LYS 5 40.399 22.196 27.934 40 H DTH 6 H DTH 6 36.876 19.639 24.544 41 HA DTH 6 HA DTH 6 36.291 22.227 23.329 42 HB DTH 6 HB DTH 6 35.545 20.117 22.118 43 HG21 DTH 6 1HG2 DTH 6 37.297 21.801 20.387 44 HG22 DTH 6 2HG2 DTH 6 35.708 22.416 21.163 45 HG23 DTH 6 3HG2 DTH 6 35.638 21.076 20.110 46 HG1 DTH 6 HG1 DTH 6 37.537 19.031 22.274 47 H DAS 7 H DAS 7 38.194 23.225 22.124 48 HA DAS 7 HA DAS 7 40.642 23.081 23.572 49 HB2 DAS 7 HB1 DAS 7 39.681 24.954 22.825 50 HB3 DAS 7 HB2 DAS 7 39.933 24.500 21.080
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