NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624081 | 6bf3 | 30365 | 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 19.980 16.690 20.760 2 HA GLN 1 HA GLN 1 19.120 14.660 21.010 3 HB2 GLN 1 HB2 GLN 1 17.600 15.750 23.390 4 HB3 GLN 1 HB1 GLN 1 18.130 14.130 23.180 5 HG2 GLN 1 HG2 GLN 1 19.890 16.600 23.470 6 HG3 GLN 1 HG1 GLN 1 19.620 15.510 24.750 7 HE21 GLN 1 1HE2 GLN 1 20.230 13.210 24.190 8 HE22 GLN 1 2HE2 GLN 1 21.670 12.820 23.220 9 H ASP 2 H ASP 2 17.410 16.330 19.250 10 HA ASP 2 HA ASP 2 15.250 14.240 19.030 11 HB2 ASP 2 HB2 ASP 2 14.270 15.910 20.410 12 HB3 ASP 2 HB1 ASP 2 14.730 17.180 19.300 13 HA PRO 3 HA PRO 3 17.550 15.170 15.620 14 HB2 PRO 3 HB2 PRO 3 17.090 13.150 13.750 15 HB3 PRO 3 HB1 PRO 3 18.140 13.110 15.180 16 HG2 PRO 3 HG2 PRO 3 15.180 12.400 14.860 17 HG3 PRO 3 HG1 PRO 3 16.360 11.360 15.620 18 HD2 PRO 3 HD2 PRO 3 14.870 12.870 17.340 19 HD3 PRO 3 HD1 PRO 3 16.590 12.950 17.630 20 HA DPR 4 HA DPR 4 15.250 16.620 12.070 21 HB2 DPR 4 HB1 DPR 4 17.280 18.370 11.020 22 HB3 DPR 4 HB2 DPR 4 17.140 16.720 10.520 23 HG2 DPR 4 HG1 DPR 4 18.770 17.820 12.800 24 HG3 DPR 4 HG2 DPR 4 19.230 16.740 11.430 25 HD2 DPR 4 HD1 DPR 4 18.810 15.780 13.800 26 HD3 DPR 4 HD2 DPR 4 17.980 14.880 12.510 27 H LYS 5 H LYS 5 15.490 17.570 15.000 28 HA LYS 5 HA LYS 5 14.640 20.240 14.350 29 HB2 LYS 5 HB2 LYS 5 14.050 18.590 16.920 30 HB3 LYS 5 HB1 LYS 5 13.590 20.220 16.550 31 HG2 LYS 5 HG2 LYS 5 11.680 19.520 15.820 32 HG3 LYS 5 HG1 LYS 5 12.500 19.030 14.350 33 HD2 LYS 5 HD2 LYS 5 12.700 16.750 15.470 34 HD3 LYS 5 HD1 LYS 5 11.740 17.350 16.790 35 HE2 LYS 5 HE2 LYS 5 9.810 17.840 15.240 36 HE3 LYS 5 HE1 LYS 5 10.820 17.300 13.940 37 HZ1 LYS 5 HZ1 LYS 5 10.020 15.640 16.190 38 HZ2 LYS 5 HZ2 LYS 5 11.090 15.110 15.060 39 HZ3 LYS 5 HZ3 LYS 5 9.530 15.440 14.680 40 H DTH 6 H DTH 6 16.800 18.560 16.670 41 HA DTH 6 HA DTH 6 17.870 21.060 17.720 42 HB DTH 6 HB DTH 6 20.260 20.320 17.190 43 HG21 DTH 6 1HG2 DTH 6 18.970 19.290 14.580 44 HG22 DTH 6 2HG2 DTH 6 19.780 18.230 15.780 45 HG23 DTH 6 3HG2 DTH 6 20.670 19.530 15.030 46 HG1 DTH 6 HG1 DTH 6 18.690 21.230 15.060 47 H DAS 7 H DAS 7 18.630 20.790 19.650 48 HA DAS 7 HA DAS 7 18.980 19.720 21.660 49 HB2 DAS 7 HB1 DAS 7 20.920 18.190 19.980 50 HB3 DAS 7 HB2 DAS 7 21.040 18.420 21.640 Start of MODEL 2 1 H1 GLN 1 H1 GLN 1 19.908 16.642 20.932 2 HA GLN 1 HA GLN 1 19.106 14.676 21.022 3 HB2 GLN 1 HB2 GLN 1 17.257 15.501 23.147 4 HB3 GLN 1 HB1 GLN 1 18.172 13.925 22.978 5 HG2 GLN 1 HG2 GLN 1 19.355 16.545 23.807 6 HG3 GLN 1 HG1 GLN 1 18.822 15.341 24.975 7 HE21 GLN 1 1HE2 GLN 1 19.534 12.952 24.438 8 HE22 GLN 1 2HE2 GLN 1 21.286 12.882 24.117 9 H ASP 2 H ASP 2 17.253 16.556 19.263 10 HA ASP 2 HA ASP 2 15.272 14.454 19.033 11 HB2 ASP 2 HB2 ASP 2 14.407 16.340 20.285 12 HB3 ASP 2 HB1 ASP 2 14.651 17.421 18.862 13 HA PRO 3 HA PRO 3 17.707 14.918 15.468 14 HB2 PRO 3 HB2 PRO 3 17.177 12.690 13.965 15 HB3 PRO 3 HB1 PRO 3 17.959 12.685 15.595 16 HG2 PRO 3 HG2 PRO 3 15.063 12.302 14.982 17 HG3 PRO 3 HG1 PRO 3 16.082 11.198 15.905 18 HD2 PRO 3 HD2 PRO 3 14.493 13.035 17.083 19 HD3 PRO 3 HD1 PRO 3 16.078 12.753 17.775 20 HA DPR 4 HA DPR 4 15.485 16.624 11.920 21 HB2 DPR 4 HB1 DPR 4 17.803 18.517 12.256 22 HB3 DPR 4 HB2 DPR 4 17.172 17.919 10.753 23 HG2 DPR 4 HG1 DPR 4 19.388 16.753 11.639 24 HG3 DPR 4 HG2 DPR 4 18.039 15.686 11.081 25 HD2 DPR 4 HD1 DPR 4 18.700 16.695 13.876 26 HD3 DPR 4 HD2 DPR 4 18.625 14.995 13.413 27 H LYS 5 H LYS 5 16.015 17.684 15.082 28 HA LYS 5 HA LYS 5 14.672 20.300 14.588 29 HB2 LYS 5 HB2 LYS 5 13.854 18.256 16.623 30 HB3 LYS 5 HB1 LYS 5 13.216 19.878 16.609 31 HG2 LYS 5 HG2 LYS 5 12.213 19.513 14.309 32 HG3 LYS 5 HG1 LYS 5 12.777 17.900 14.337 33 HD2 LYS 5 HD2 LYS 5 11.531 17.587 16.596 34 HD3 LYS 5 HD1 LYS 5 10.650 19.100 16.251 35 HE2 LYS 5 HE2 LYS 5 9.926 18.220 14.109 36 HE3 LYS 5 HE1 LYS 5 10.874 16.780 14.401 37 HZ1 LYS 5 HZ1 LYS 5 8.732 16.311 15.200 38 HZ2 LYS 5 HZ2 LYS 5 8.466 17.671 15.879 39 HZ3 LYS 5 HZ3 LYS 5 9.498 16.516 16.571 40 H DTH 6 H DTH 6 17.180 18.612 16.057 41 HA DTH 6 HA DTH 6 17.734 21.015 17.778 42 HB DTH 6 HB DTH 6 20.225 20.514 17.279 43 HG21 DTH 6 1HG2 DTH 6 20.847 19.639 15.216 44 HG22 DTH 6 2HG2 DTH 6 19.107 19.295 14.837 45 HG23 DTH 6 3HG2 DTH 6 19.946 18.430 16.207 46 HG1 DTH 6 HG1 DTH 6 19.724 22.291 16.154 47 H DAS 7 H DAS 7 18.552 20.785 19.698 48 HA DAS 7 HA DAS 7 19.180 19.851 21.542 49 HB2 DAS 7 HB1 DAS 7 20.909 18.040 19.944 50 HB3 DAS 7 HB2 DAS 7 21.130 18.567 21.549 Start of MODEL 3 1 H1 GLN 1 H1 GLN 1 19.891 16.846 20.056 2 HA GLN 1 HA GLN 1 19.453 14.806 20.234 3 HB2 GLN 1 HB2 GLN 1 18.466 15.121 22.950 4 HB3 GLN 1 HB1 GLN 1 18.684 13.605 22.007 5 HG2 GLN 1 HG2 GLN 1 21.063 13.857 21.718 6 HG3 GLN 1 HG1 GLN 1 20.988 15.377 22.604 7 HE21 GLN 1 1HE2 GLN 1 22.686 12.847 23.032 8 HE22 GLN 1 2HE2 GLN 1 22.013 12.227 24.530 9 H ASP 2 H ASP 2 17.302 16.902 19.327 10 HA ASP 2 HA ASP 2 15.090 14.900 19.040 11 HB2 ASP 2 HB2 ASP 2 14.837 17.228 20.161 12 HB3 ASP 2 HB1 ASP 2 15.146 17.822 18.485 13 HA PRO 3 HA PRO 3 17.229 13.973 15.301 14 HB2 PRO 3 HB2 PRO 3 14.473 12.885 14.715 15 HB3 PRO 3 HB1 PRO 3 16.086 12.153 14.299 16 HG2 PRO 3 HG2 PRO 3 14.641 11.332 16.502 17 HG3 PRO 3 HG1 PRO 3 16.439 11.520 16.458 18 HD2 PRO 3 HD2 PRO 3 14.135 13.354 17.402 19 HD3 PRO 3 HD1 PRO 3 15.749 13.039 18.169 20 HA DPR 4 HA DPR 4 15.786 16.657 12.000 21 HB2 DPR 4 HB1 DPR 4 18.072 18.202 11.664 22 HB3 DPR 4 HB2 DPR 4 17.921 16.471 11.113 23 HG2 DPR 4 HG1 DPR 4 19.008 17.604 13.652 24 HG3 DPR 4 HG2 DPR 4 19.845 16.440 12.595 25 HD2 DPR 4 HD1 DPR 4 18.486 15.614 14.828 26 HD3 DPR 4 HD2 DPR 4 18.503 14.689 13.311 27 H LYS 5 H LYS 5 16.110 17.551 15.110 28 HA LYS 5 HA LYS 5 14.700 20.106 14.442 29 HB2 LYS 5 HB2 LYS 5 14.130 18.050 16.471 30 HB3 LYS 5 HB1 LYS 5 13.393 19.694 16.484 31 HG2 LYS 5 HG2 LYS 5 12.504 19.354 14.216 32 HG3 LYS 5 HG1 LYS 5 13.089 17.677 14.160 33 HD2 LYS 5 HD2 LYS 5 11.691 17.174 16.049 34 HD3 LYS 5 HD1 LYS 5 11.130 18.980 16.113 35 HE2 LYS 5 HE2 LYS 5 10.173 18.816 14.040 36 HE3 LYS 5 HE1 LYS 5 10.780 17.214 13.681 37 HZ1 LYS 5 HZ1 LYS 5 8.527 16.959 14.270 38 HZ2 LYS 5 HZ2 LYS 5 8.702 17.919 15.582 39 HZ3 LYS 5 HZ3 LYS 5 9.349 16.462 15.615 40 H DTH 6 H DTH 6 17.296 18.813 16.259 41 HA DTH 6 HA DTH 6 17.276 21.162 18.068 42 HB DTH 6 HB DTH 6 19.619 21.681 17.848 43 HG21 DTH 6 1HG2 DTH 6 20.699 19.698 17.098 44 HG22 DTH 6 2HG2 DTH 6 20.901 20.998 15.931 45 HG23 DTH 6 3HG2 DTH 6 19.697 19.647 15.660 46 HG1 DTH 6 HG1 DTH 6 18.586 22.918 16.635 47 H DAS 7 H DAS 7 18.581 20.844 19.922 48 HA DAS 7 HA DAS 7 18.682 19.754 21.777 49 HB2 DAS 7 HB1 DAS 7 21.156 18.551 20.579 50 HB3 DAS 7 HB2 DAS 7 20.796 19.052 22.253 Start of MODEL 4 1 H1 GLN 1 H1 GLN 1 20.005 16.430 20.513 2 HA GLN 1 HA GLN 1 18.990 14.582 20.775 3 HB2 GLN 1 HB2 GLN 1 17.786 15.530 23.378 4 HB3 GLN 1 HB1 GLN 1 17.785 13.911 22.665 5 HG2 GLN 1 HG2 GLN 1 20.379 14.094 22.676 6 HG3 GLN 1 HG1 GLN 1 20.176 15.641 23.463 7 HE21 GLN 1 1HE2 GLN 1 21.662 13.615 24.608 8 HE22 GLN 1 2HE2 GLN 1 20.728 12.974 25.977 9 H ASP 2 H ASP 2 17.538 16.560 19.120 10 HA ASP 2 HA ASP 2 15.046 14.994 18.949 11 HB2 ASP 2 HB2 ASP 2 14.688 17.276 19.975 12 HB3 ASP 2 HB1 ASP 2 14.950 17.811 18.237 13 HA PRO 3 HA PRO 3 17.734 14.432 15.272 14 HB2 PRO 3 HB2 PRO 3 15.727 12.577 14.414 15 HB3 PRO 3 HB1 PRO 3 17.536 12.530 14.551 16 HG2 PRO 3 HG2 PRO 3 15.757 11.288 16.490 17 HG3 PRO 3 HG1 PRO 3 17.440 11.873 16.780 18 HD2 PRO 3 HD2 PRO 3 15.007 13.172 17.652 19 HD3 PRO 3 HD1 PRO 3 16.714 13.210 18.246 20 HA DPR 4 HA DPR 4 15.589 16.482 11.887 21 HB2 DPR 4 HB1 DPR 4 17.290 18.498 11.556 22 HB3 DPR 4 HB2 DPR 4 17.804 16.829 11.034 23 HG2 DPR 4 HG1 DPR 4 18.461 18.420 13.576 24 HG3 DPR 4 HG2 DPR 4 19.543 17.367 12.509 25 HD2 DPR 4 HD1 DPR 4 18.557 16.321 14.706 26 HD3 DPR 4 HD2 DPR 4 18.681 15.371 13.199 27 H LYS 5 H LYS 5 16.166 17.883 15.004 28 HA LYS 5 HA LYS 5 14.563 20.286 14.394 29 HB2 LYS 5 HB2 LYS 5 13.780 18.099 16.340 30 HB3 LYS 5 HB1 LYS 5 13.341 19.825 16.438 31 HG2 LYS 5 HG2 LYS 5 12.444 19.540 14.086 32 HG3 LYS 5 HG1 LYS 5 12.716 17.816 14.237 33 HD2 LYS 5 HD2 LYS 5 11.166 17.839 16.145 34 HD3 LYS 5 HD1 LYS 5 10.653 19.567 15.800 35 HE2 LYS 5 HE2 LYS 5 10.082 18.879 13.545 36 HE3 LYS 5 HE1 LYS 5 10.537 17.288 13.770 37 HZ1 LYS 5 HZ1 LYS 5 8.349 18.659 15.328 38 HZ2 LYS 5 HZ2 LYS 5 8.697 17.079 15.428 39 HZ3 LYS 5 HZ3 LYS 5 8.168 17.624 14.034 40 H DTH 6 H DTH 6 16.870 18.597 16.482 41 HA DTH 6 HA DTH 6 17.089 20.808 18.258 42 HB DTH 6 HB DTH 6 19.477 21.438 17.726 43 HG21 DTH 6 1HG2 DTH 6 19.246 19.363 15.428 44 HG22 DTH 6 2HG2 DTH 6 20.333 19.260 16.763 45 HG23 DTH 6 3HG2 DTH 6 20.627 20.529 15.686 46 HG1 DTH 6 HG1 DTH 6 18.196 22.721 16.652 47 H DAS 7 H DAS 7 18.591 20.693 19.958 48 HA DAS 7 HA DAS 7 19.408 19.586 21.715 49 HB2 DAS 7 HB1 DAS 7 21.002 17.983 19.721 50 HB3 DAS 7 HB2 DAS 7 21.383 18.383 21.395 Start of MODEL 5 1 H1 GLN 1 H1 GLN 1 19.897 16.644 20.217 2 HA GLN 1 HA GLN 1 19.222 14.579 20.478 3 HB2 GLN 1 HB2 GLN 1 18.024 15.322 23.125 4 HB3 GLN 1 HB1 GLN 1 18.650 13.697 22.573 5 HG2 GLN 1 HG2 GLN 1 20.952 14.654 22.434 6 HG3 GLN 1 HG1 GLN 1 20.362 16.053 23.300 7 HE21 GLN 1 1HE2 GLN 1 22.044 15.399 24.976 8 HE22 GLN 1 2HE2 GLN 1 21.632 14.126 26.086 9 H ASP 2 H ASP 2 17.642 16.278 19.055 10 HA ASP 2 HA ASP 2 15.085 14.832 19.072 11 HB2 ASP 2 HB2 ASP 2 14.907 17.043 20.351 12 HB3 ASP 2 HB1 ASP 2 15.324 17.811 18.938 13 HA PRO 3 HA PRO 3 17.451 14.203 15.375 14 HB2 PRO 3 HB2 PRO 3 14.746 13.129 14.726 15 HB3 PRO 3 HB1 PRO 3 16.280 12.548 14.095 16 HG2 PRO 3 HG2 PRO 3 15.209 11.329 16.376 17 HG3 PRO 3 HG1 PRO 3 16.869 11.805 16.264 18 HD2 PRO 3 HD2 PRO 3 14.635 13.278 17.672 19 HD3 PRO 3 HD1 PRO 3 16.348 13.196 18.162 20 HA DPR 4 HA DPR 4 15.620 16.559 11.923 21 HB2 DPR 4 HB1 DPR 4 18.105 18.220 12.079 22 HB3 DPR 4 HB2 DPR 4 17.320 17.472 10.652 23 HG2 DPR 4 HG1 DPR 4 19.457 16.307 11.596 24 HG3 DPR 4 HG2 DPR 4 18.081 15.321 11.019 25 HD2 DPR 4 HD1 DPR 4 18.857 16.080 13.789 26 HD3 DPR 4 HD2 DPR 4 18.247 14.493 13.245 27 H LYS 5 H LYS 5 16.314 17.880 14.903 28 HA LYS 5 HA LYS 5 14.641 20.265 14.399 29 HB2 LYS 5 HB2 LYS 5 14.034 18.190 16.471 30 HB3 LYS 5 HB1 LYS 5 13.330 19.808 16.367 31 HG2 LYS 5 HG2 LYS 5 12.290 19.385 14.107 32 HG3 LYS 5 HG1 LYS 5 12.907 17.784 14.185 33 HD2 LYS 5 HD2 LYS 5 11.629 17.369 16.284 34 HD3 LYS 5 HD1 LYS 5 10.880 18.956 16.142 35 HE2 LYS 5 HE2 LYS 5 9.910 18.507 14.068 36 HE3 LYS 5 HE1 LYS 5 10.737 16.951 13.906 37 HZ1 LYS 5 HZ1 LYS 5 8.521 17.703 15.685 38 HZ2 LYS 5 HZ2 LYS 5 9.576 16.663 16.284 39 HZ3 LYS 5 HZ3 LYS 5 8.705 16.277 14.918 40 H DTH 6 H DTH 6 16.756 18.587 16.521 41 HA DTH 6 HA DTH 6 17.579 20.986 17.993 42 HB DTH 6 HB DTH 6 19.941 21.044 17.313 43 HG21 DTH 6 1HG2 DTH 6 20.589 19.987 15.315 44 HG22 DTH 6 2HG2 DTH 6 19.124 18.959 15.244 45 HG23 DTH 6 3HG2 DTH 6 20.373 18.696 16.546 46 HG1 DTH 6 HG1 DTH 6 18.070 21.049 15.186 47 H DAS 7 H DAS 7 18.596 20.739 19.759 48 HA DAS 7 HA DAS 7 18.581 19.838 21.641 49 HB2 DAS 7 HB1 DAS 7 21.032 18.240 21.102 50 HB3 DAS 7 HB2 DAS 7 20.592 19.258 22.446 Start of MODEL 6 1 H1 GLN 1 H1 GLN 1 19.948 16.747 20.111 2 HA GLN 1 HA GLN 1 19.326 14.637 20.384 3 HB2 GLN 1 HB2 GLN 1 18.329 15.479 23.145 4 HB3 GLN 1 HB1 GLN 1 18.480 13.880 22.615 5 HG2 GLN 1 HG2 GLN 1 20.264 14.285 23.828 6 HG3 GLN 1 HG1 GLN 1 20.951 14.131 22.236 7 HE21 GLN 1 1HE2 GLN 1 19.745 16.533 24.840 8 HE22 GLN 1 2HE2 GLN 1 20.765 17.798 24.407 9 H ASP 2 H ASP 2 17.567 16.428 19.048 10 HA ASP 2 HA ASP 2 15.191 14.768 19.175 11 HB2 ASP 2 HB2 ASP 2 14.681 16.940 20.343 12 HB3 ASP 2 HB1 ASP 2 15.082 17.763 18.767 13 HA PRO 3 HA PRO 3 17.158 14.061 15.489 14 HB2 PRO 3 HB2 PRO 3 14.444 13.019 14.679 15 HB3 PRO 3 HB1 PRO 3 16.059 12.485 14.119 16 HG2 PRO 3 HG2 PRO 3 14.945 11.406 16.372 17 HG3 PRO 3 HG1 PRO 3 16.727 11.850 16.299 18 HD2 PRO 3 HD2 PRO 3 14.313 13.175 17.559 19 HD3 PRO 3 HD1 PRO 3 15.891 13.084 18.167 20 HA DPR 4 HA DPR 4 16.012 16.623 11.907 21 HB2 DPR 4 HB1 DPR 4 18.251 18.251 11.714 22 HB3 DPR 4 HB2 DPR 4 18.301 16.564 11.242 23 HG2 DPR 4 HG1 DPR 4 19.194 17.813 13.801 24 HG3 DPR 4 HG2 DPR 4 20.054 16.590 12.824 25 HD2 DPR 4 HD1 DPR 4 18.512 16.037 15.049 26 HD3 DPR 4 HD2 DPR 4 18.679 14.941 13.755 27 H LYS 5 H LYS 5 15.830 17.458 15.119 28 HA LYS 5 HA LYS 5 14.633 20.060 14.338 29 HB2 LYS 5 HB2 LYS 5 13.918 18.202 16.655 30 HB3 LYS 5 HB1 LYS 5 13.189 19.702 16.294 31 HG2 LYS 5 HG2 LYS 5 13.365 17.223 14.463 32 HG3 LYS 5 HG1 LYS 5 12.052 17.616 15.565 33 HD2 LYS 5 HD2 LYS 5 11.489 19.620 14.372 34 HD3 LYS 5 HD1 LYS 5 12.841 19.476 13.273 35 HE2 LYS 5 HE2 LYS 5 12.053 17.307 12.504 36 HE3 LYS 5 HE1 LYS 5 10.674 17.319 13.665 37 HZ1 LYS 5 HZ1 LYS 5 9.724 19.009 12.566 38 HZ2 LYS 5 HZ2 LYS 5 9.943 17.916 11.394 39 HZ3 LYS 5 HZ3 LYS 5 10.890 19.259 11.454 40 H DTH 6 H DTH 6 17.065 18.735 16.457 41 HA DTH 6 HA DTH 6 17.313 21.118 18.127 42 HB DTH 6 HB DTH 6 19.623 21.373 17.752 43 HG21 DTH 6 1HG2 DTH 6 20.155 19.244 16.803 44 HG22 DTH 6 2HG2 DTH 6 20.754 20.647 15.874 45 HG23 DTH 6 3HG2 DTH 6 19.359 19.811 15.202 46 HG1 DTH 6 HG1 DTH 6 18.274 21.948 15.416 47 H DAS 7 H DAS 7 18.468 20.765 19.985 48 HA DAS 7 HA DAS 7 18.991 19.791 21.717 49 HB2 DAS 7 HB1 DAS 7 21.020 18.341 19.965 50 HB3 DAS 7 HB2 DAS 7 21.277 18.770 21.599 Start of MODEL 7 1 H1 GLN 1 H1 GLN 1 20.091 16.500 21.103 2 HA GLN 1 HA GLN 1 19.211 14.585 21.070 3 HB2 GLN 1 HB2 GLN 1 17.662 15.967 23.174 4 HB3 GLN 1 HB1 GLN 1 17.635 14.198 23.063 5 HG2 GLN 1 HG2 GLN 1 19.248 14.833 24.794 6 HG3 GLN 1 HG1 GLN 1 19.936 13.971 23.472 7 HE21 GLN 1 1HE2 GLN 1 19.853 16.907 25.217 8 HE22 GLN 1 2HE2 GLN 1 21.004 17.875 24.357 9 H ASP 2 H ASP 2 17.705 16.341 19.223 10 HA ASP 2 HA ASP 2 15.239 14.722 18.985 11 HB2 ASP 2 HB2 ASP 2 14.905 17.043 20.195 12 HB3 ASP 2 HB1 ASP 2 15.093 17.777 18.683 13 HA PRO 3 HA PRO 3 17.521 14.579 15.445 14 HB2 PRO 3 HB2 PRO 3 15.322 12.669 14.424 15 HB3 PRO 3 HB1 PRO 3 17.106 12.643 14.013 16 HG2 PRO 3 HG2 PRO 3 16.022 11.197 16.150 17 HG3 PRO 3 HG1 PRO 3 17.525 12.081 16.472 18 HD2 PRO 3 HD2 PRO 3 14.730 12.785 16.972 19 HD3 PRO 3 HD1 PRO 3 16.101 13.048 18.067 20 HA DPR 4 HA DPR 4 15.473 16.469 11.924 21 HB2 DPR 4 HB1 DPR 4 17.877 18.257 11.885 22 HB3 DPR 4 HB2 DPR 4 17.091 17.355 10.532 23 HG2 DPR 4 HG1 DPR 4 19.437 16.507 11.582 24 HG3 DPR 4 HG2 DPR 4 18.204 15.479 10.882 25 HD2 DPR 4 HD1 DPR 4 18.738 16.102 13.862 26 HD3 DPR 4 HD2 DPR 4 18.200 14.593 13.211 27 H LYS 5 H LYS 5 15.755 17.541 15.026 28 HA LYS 5 HA LYS 5 14.652 20.309 14.495 29 HB2 LYS 5 HB2 LYS 5 13.959 18.473 16.689 30 HB3 LYS 5 HB1 LYS 5 13.352 20.112 16.462 31 HG2 LYS 5 HG2 LYS 5 12.489 17.884 14.766 32 HG3 LYS 5 HG1 LYS 5 11.652 18.854 16.031 33 HD2 LYS 5 HD2 LYS 5 11.371 20.739 14.537 34 HD3 LYS 5 HD1 LYS 5 12.702 20.074 13.575 35 HE2 LYS 5 HE2 LYS 5 11.181 18.269 12.829 36 HE3 LYS 5 HE1 LYS 5 9.925 18.876 13.934 37 HZ1 LYS 5 HZ1 LYS 5 9.755 20.864 12.482 38 HZ2 LYS 5 HZ2 LYS 5 9.757 19.459 11.569 39 HZ3 LYS 5 HZ3 LYS 5 11.056 20.423 11.675 40 H DTH 6 H DTH 6 17.080 18.686 16.429 41 HA DTH 6 HA DTH 6 17.553 21.186 17.982 42 HB DTH 6 HB DTH 6 20.014 20.954 17.448 43 HG21 DTH 6 1HG2 DTH 6 20.455 19.035 16.270 44 HG22 DTH 6 2HG2 DTH 6 20.346 20.215 14.960 45 HG23 DTH 6 3HG2 DTH 6 19.027 19.124 15.239 46 HG1 DTH 6 HG1 DTH 6 18.781 21.687 15.125 47 H DAS 7 H DAS 7 18.289 20.686 19.891 48 HA DAS 7 HA DAS 7 19.110 19.736 21.636 49 HB2 DAS 7 HB1 DAS 7 20.840 18.294 19.678 50 HB3 DAS 7 HB2 DAS 7 21.122 18.362 21.408 Start of MODEL 8 1 H1 GLN 1 H1 GLN 1 19.946 16.256 20.709 2 HA GLN 1 HA GLN 1 18.861 14.523 21.003 3 HB2 GLN 1 HB2 GLN 1 17.783 16.103 23.336 4 HB3 GLN 1 HB1 GLN 1 17.743 14.267 23.181 5 HG2 GLN 1 HG2 GLN 1 20.294 15.880 23.187 6 HG3 GLN 1 HG1 GLN 1 19.489 15.359 24.617 7 HE21 GLN 1 1HE2 GLN 1 22.128 14.462 23.957 8 HE22 GLN 1 2HE2 GLN 1 22.042 12.806 23.345 9 H ASP 2 H ASP 2 17.377 16.270 19.273 10 HA ASP 2 HA ASP 2 14.933 14.617 19.063 11 HB2 ASP 2 HB2 ASP 2 14.294 16.664 20.357 12 HB3 ASP 2 HB1 ASP 2 14.775 17.688 19.010 13 HA PRO 3 HA PRO 3 18.034 15.039 15.700 14 HB2 PRO 3 HB2 PRO 3 16.125 12.968 14.635 15 HB3 PRO 3 HB1 PRO 3 17.931 13.134 14.383 16 HG2 PRO 3 HG2 PRO 3 16.813 11.499 16.220 17 HG3 PRO 3 HG1 PRO 3 18.318 12.531 16.434 18 HD2 PRO 3 HD2 PRO 3 15.492 12.828 17.475 19 HD3 PRO 3 HD1 PRO 3 17.081 13.337 18.292 20 HA DPR 4 HA DPR 4 15.743 16.441 11.881 21 HB2 DPR 4 HB1 DPR 4 17.819 18.590 12.088 22 HB3 DPR 4 HB2 DPR 4 17.237 17.637 10.635 23 HG2 DPR 4 HG1 DPR 4 19.593 17.167 11.992 24 HG3 DPR 4 HG2 DPR 4 18.641 15.811 11.208 25 HD2 DPR 4 HD1 DPR 4 19.041 16.720 13.982 26 HD3 DPR 4 HD2 DPR 4 18.690 15.099 13.430 27 H LYS 5 H LYS 5 15.738 17.621 14.862 28 HA LYS 5 HA LYS 5 14.405 20.234 14.325 29 HB2 LYS 5 HB2 LYS 5 13.827 18.165 16.384 30 HB3 LYS 5 HB1 LYS 5 13.014 19.827 16.332 31 HG2 LYS 5 HG2 LYS 5 12.009 19.079 14.199 32 HG3 LYS 5 HG1 LYS 5 12.786 17.567 14.218 33 HD2 LYS 5 HD2 LYS 5 11.468 17.007 16.254 34 HD3 LYS 5 HD1 LYS 5 10.745 18.539 16.295 35 HE2 LYS 5 HE2 LYS 5 9.273 16.821 15.420 36 HE3 LYS 5 HE1 LYS 5 9.524 18.251 14.366 37 HZ1 LYS 5 HZ1 LYS 5 10.742 16.934 12.862 38 HZ2 LYS 5 HZ2 LYS 5 9.515 15.967 13.280 39 HZ3 LYS 5 HZ3 LYS 5 11.021 15.823 13.997 40 H DTH 6 H DTH 6 16.827 18.612 16.294 41 HA DTH 6 HA DTH 6 17.162 20.712 18.257 42 HB DTH 6 HB DTH 6 19.559 21.297 17.393 43 HG21 DTH 6 1HG2 DTH 6 20.137 19.291 16.213 44 HG22 DTH 6 2HG2 DTH 6 20.229 20.635 15.100 45 HG23 DTH 6 3HG2 DTH 6 18.875 19.602 15.032 46 HG1 DTH 6 HG1 DTH 6 17.500 21.924 15.734 47 H DAS 7 H DAS 7 18.920 20.557 19.732 48 HA DAS 7 HA DAS 7 19.916 19.388 21.331 49 HB2 DAS 7 HB1 DAS 7 20.986 17.353 19.503 50 HB3 DAS 7 HB2 DAS 7 21.563 18.075 21.016 Start of MODEL 9 1 H1 GLN 1 H1 GLN 1 19.890 16.558 21.088 2 HA GLN 1 HA GLN 1 18.887 14.594 21.348 3 HB2 GLN 1 HB2 GLN 1 17.146 16.117 23.326 4 HB3 GLN 1 HB1 GLN 1 17.363 14.412 23.258 5 HG2 GLN 1 HG2 GLN 1 19.629 16.295 23.972 6 HG3 GLN 1 HG1 GLN 1 18.691 15.262 25.045 7 HE21 GLN 1 1HE2 GLN 1 18.678 12.712 23.970 8 HE22 GLN 1 2HE2 GLN 1 20.242 12.297 23.288 9 H ASP 2 H ASP 2 17.597 16.184 19.253 10 HA ASP 2 HA ASP 2 15.154 14.647 18.921 11 HB2 ASP 2 HB2 ASP 2 14.837 16.980 20.214 12 HB3 ASP 2 HB1 ASP 2 15.193 17.651 18.647 13 HA PRO 3 HA PRO 3 17.911 14.905 15.254 14 HB2 PRO 3 HB2 PRO 3 16.764 12.975 13.734 15 HB3 PRO 3 HB1 PRO 3 18.053 12.809 14.910 16 HG2 PRO 3 HG2 PRO 3 15.108 12.324 15.303 17 HG3 PRO 3 HG1 PRO 3 16.369 11.303 15.849 18 HD2 PRO 3 HD2 PRO 3 15.309 12.998 17.584 19 HD3 PRO 3 HD1 PRO 3 17.130 13.015 17.495 20 HA DPR 4 HA DPR 4 15.409 16.635 11.914 21 HB2 DPR 4 HB1 DPR 4 17.390 18.875 12.179 22 HB3 DPR 4 HB2 DPR 4 16.831 17.950 10.687 23 HG2 DPR 4 HG1 DPR 4 19.302 17.805 12.022 24 HG3 DPR 4 HG2 DPR 4 18.463 16.342 11.196 25 HD2 DPR 4 HD1 DPR 4 18.621 17.049 14.099 26 HD3 DPR 4 HD2 DPR 4 18.723 15.431 13.213 27 H LYS 5 H LYS 5 15.751 17.619 15.012 28 HA LYS 5 HA LYS 5 14.332 20.210 14.784 29 HB2 LYS 5 HB2 LYS 5 13.976 17.673 16.409 30 HB3 LYS 5 HB1 LYS 5 13.469 19.258 17.020 31 HG2 LYS 5 HG2 LYS 5 12.023 19.613 15.151 32 HG3 LYS 5 HG1 LYS 5 12.471 18.039 14.443 33 HD2 LYS 5 HD2 LYS 5 10.395 17.605 15.474 34 HD3 LYS 5 HD1 LYS 5 11.487 16.879 16.475 35 HE2 LYS 5 HE2 LYS 5 11.565 18.864 17.983 36 HE3 LYS 5 HE1 LYS 5 10.336 19.713 16.825 37 HZ1 LYS 5 HZ1 LYS 5 8.930 17.865 17.418 38 HZ2 LYS 5 HZ2 LYS 5 9.321 18.845 18.696 39 HZ3 LYS 5 HZ3 LYS 5 10.043 17.460 18.629 40 H DTH 6 H DTH 6 17.001 18.510 16.264 41 HA DTH 6 HA DTH 6 17.803 20.919 17.721 42 HB DTH 6 HB DTH 6 20.156 20.474 16.929 43 HG21 DTH 6 1HG2 DTH 6 18.838 19.124 14.517 44 HG22 DTH 6 2HG2 DTH 6 19.708 18.155 15.686 45 HG23 DTH 6 3HG2 DTH 6 20.461 19.504 14.794 46 HG1 DTH 6 HG1 DTH 6 19.742 21.686 14.979 47 H DAS 7 H DAS 7 18.951 20.640 19.471 48 HA DAS 7 HA DAS 7 19.200 19.726 21.554 49 HB2 DAS 7 HB1 DAS 7 21.060 17.812 19.995 50 HB3 DAS 7 HB2 DAS 7 21.199 18.333 21.598 Start of MODEL 10 1 H1 GLN 1 H1 GLN 1 19.841 16.537 20.732 2 HA GLN 1 HA GLN 1 19.156 14.467 21.356 3 HB2 GLN 1 HB2 GLN 1 17.091 15.789 23.168 4 HB3 GLN 1 HB1 GLN 1 17.409 14.205 23.100 5 HG2 GLN 1 HG2 GLN 1 19.529 16.196 23.921 6 HG3 GLN 1 HG1 GLN 1 18.441 15.356 24.964 7 HE21 GLN 1 1HE2 GLN 1 20.982 14.825 25.538 8 HE22 GLN 1 2HE2 GLN 1 21.284 13.134 25.198 9 H ASP 2 H ASP 2 17.529 16.610 19.466 10 HA ASP 2 HA ASP 2 15.227 14.758 18.987 11 HB2 ASP 2 HB2 ASP 2 14.710 16.839 20.235 12 HB3 ASP 2 HB1 ASP 2 15.410 17.757 18.955 13 HA PRO 3 HA PRO 3 17.774 14.677 15.109 14 HB2 PRO 3 HB2 PRO 3 15.450 12.811 14.404 15 HB3 PRO 3 HB1 PRO 3 17.220 12.673 14.042 16 HG2 PRO 3 HG2 PRO 3 16.080 11.247 16.022 17 HG3 PRO 3 HG1 PRO 3 17.691 11.997 16.246 18 HD2 PRO 3 HD2 PRO 3 15.002 13.029 17.227 19 HD3 PRO 3 HD1 PRO 3 16.591 13.041 18.056 20 HA DPR 4 HA DPR 4 15.043 16.464 12.135 21 HB2 DPR 4 HB1 DPR 4 16.849 18.096 10.753 22 HB3 DPR 4 HB2 DPR 4 17.144 16.382 10.705 23 HG2 DPR 4 HG1 DPR 4 18.396 18.322 12.754 24 HG3 DPR 4 HG2 DPR 4 19.214 17.203 11.649 25 HD2 DPR 4 HD1 DPR 4 18.579 16.701 14.215 26 HD3 DPR 4 HD2 DPR 4 18.541 15.407 12.989 27 H LYS 5 H LYS 5 15.777 17.704 14.973 28 HA LYS 5 HA LYS 5 14.669 20.435 14.351 29 HB2 LYS 5 HB2 LYS 5 13.959 18.111 16.024 30 HB3 LYS 5 HB1 LYS 5 13.667 19.772 16.713 31 HG2 LYS 5 HG2 LYS 5 12.174 20.146 14.843 32 HG3 LYS 5 HG1 LYS 5 12.556 18.576 14.122 33 HD2 LYS 5 HD2 LYS 5 10.528 18.294 15.062 34 HD3 LYS 5 HD1 LYS 5 11.500 17.697 16.438 35 HE2 LYS 5 HE2 LYS 5 11.415 19.732 17.613 36 HE3 LYS 5 HE1 LYS 5 10.488 20.486 16.205 37 HZ1 LYS 5 HZ1 LYS 5 8.976 19.948 17.962 38 HZ2 LYS 5 HZ2 LYS 5 9.297 18.394 17.845 39 HZ3 LYS 5 HZ3 LYS 5 8.689 19.149 16.579 40 H DTH 6 H DTH 6 16.924 18.671 16.528 41 HA DTH 6 HA DTH 6 17.700 21.084 17.957 42 HB DTH 6 HB DTH 6 20.083 20.879 17.269 43 HG21 DTH 6 1HG2 DTH 6 20.465 18.779 16.474 44 HG22 DTH 6 2HG2 DTH 6 20.436 19.765 15.017 45 HG23 DTH 6 3HG2 DTH 6 19.081 18.705 15.412 46 HG1 DTH 6 HG1 DTH 6 19.453 22.226 15.945 47 H DAS 7 H DAS 7 18.356 20.652 19.872 48 HA DAS 7 HA DAS 7 19.023 19.658 21.779 49 HB2 DAS 7 HB1 DAS 7 20.894 18.167 19.945 50 HB3 DAS 7 HB2 DAS 7 21.043 18.367 21.700 Start of MODEL 11 1 H1 GLN 1 H1 GLN 1 19.827 16.509 20.659 2 HA GLN 1 HA GLN 1 19.147 14.629 20.816 3 HB2 GLN 1 HB2 GLN 1 17.688 15.467 23.331 4 HB3 GLN 1 HB1 GLN 1 17.987 13.798 22.885 5 HG2 GLN 1 HG2 GLN 1 20.007 15.912 23.378 6 HG3 GLN 1 HG1 GLN 1 19.571 14.785 24.582 7 HE21 GLN 1 1HE2 GLN 1 22.131 15.312 23.080 8 HE22 GLN 1 2HE2 GLN 1 22.733 13.748 22.462 9 H ASP 2 H ASP 2 17.478 16.549 19.291 10 HA ASP 2 HA ASP 2 14.913 14.941 19.004 11 HB2 ASP 2 HB2 ASP 2 14.616 16.939 20.197 12 HB3 ASP 2 HB1 ASP 2 15.230 17.920 18.960 13 HA PRO 3 HA PRO 3 17.908 15.173 15.626 14 HB2 PRO 3 HB2 PRO 3 16.451 12.801 14.431 15 HB3 PRO 3 HB1 PRO 3 18.203 13.163 14.496 16 HG2 PRO 3 HG2 PRO 3 16.683 11.487 16.208 17 HG3 PRO 3 HG1 PRO 3 18.116 12.375 16.855 18 HD2 PRO 3 HD2 PRO 3 15.231 12.935 17.204 19 HD3 PRO 3 HD1 PRO 3 16.629 13.269 18.296 20 HA DPR 4 HA DPR 4 15.283 16.369 12.053 21 HB2 DPR 4 HB1 DPR 4 16.851 18.148 10.927 22 HB3 DPR 4 HB2 DPR 4 17.141 16.334 10.850 23 HG2 DPR 4 HG1 DPR 4 18.428 18.360 12.753 24 HG3 DPR 4 HG2 DPR 4 19.327 17.174 11.685 25 HD2 DPR 4 HD1 DPR 4 18.565 16.610 14.319 26 HD3 DPR 4 HD2 DPR 4 18.586 15.353 12.954 27 H LYS 5 H LYS 5 15.544 17.602 14.826 28 HA LYS 5 HA LYS 5 14.669 20.421 14.449 29 HB2 LYS 5 HB2 LYS 5 13.641 18.292 16.225 30 HB3 LYS 5 HB1 LYS 5 13.240 19.931 16.610 31 HG2 LYS 5 HG2 LYS 5 11.977 20.250 14.598 32 HG3 LYS 5 HG1 LYS 5 12.596 18.833 13.827 33 HD2 LYS 5 HD2 LYS 5 10.367 18.337 14.616 34 HD3 LYS 5 HD1 LYS 5 11.457 17.420 15.663 35 HE2 LYS 5 HE2 LYS 5 11.129 19.917 17.006 36 HE3 LYS 5 HE1 LYS 5 9.641 19.669 16.217 37 HZ1 LYS 5 HZ1 LYS 5 9.693 17.387 17.197 38 HZ2 LYS 5 HZ2 LYS 5 9.594 18.633 18.313 39 HZ3 LYS 5 HZ3 LYS 5 11.029 17.838 18.035 40 H DTH 6 H DTH 6 16.818 18.425 16.390 41 HA DTH 6 HA DTH 6 17.725 20.935 17.742 42 HB DTH 6 HB DTH 6 20.020 20.462 17.441 43 HG21 DTH 6 1HG2 DTH 6 19.292 18.964 14.910 44 HG22 DTH 6 2HG2 DTH 6 19.852 18.170 16.450 45 HG23 DTH 6 3HG2 DTH 6 20.852 19.370 15.562 46 HG1 DTH 6 HG1 DTH 6 19.033 22.105 16.135 47 H DAS 7 H DAS 7 18.349 20.607 19.816 48 HA DAS 7 HA DAS 7 19.195 19.705 21.645 49 HB2 DAS 7 HB1 DAS 7 20.875 18.181 19.660 50 HB3 DAS 7 HB2 DAS 7 21.158 18.370 21.396 Start of MODEL 12 1 H1 GLN 1 H1 GLN 1 19.834 16.522 20.471 2 HA GLN 1 HA GLN 1 19.072 14.532 21.075 3 HB2 GLN 1 HB2 GLN 1 17.693 15.892 23.360 4 HB3 GLN 1 HB1 GLN 1 18.137 14.229 23.336 5 HG2 GLN 1 HG2 GLN 1 20.116 16.553 23.140 6 HG3 GLN 1 HG1 GLN 1 19.682 15.845 24.649 7 HE21 GLN 1 1HE2 GLN 1 22.364 16.228 23.501 8 HE22 GLN 1 2HE2 GLN 1 22.881 14.541 23.255 9 H ASP 2 H ASP 2 17.525 16.154 19.304 10 HA ASP 2 HA ASP 2 15.056 14.726 19.017 11 HB2 ASP 2 HB2 ASP 2 14.735 16.810 20.376 12 HB3 ASP 2 HB1 ASP 2 15.468 17.737 19.095 13 HA PRO 3 HA PRO 3 17.855 15.298 15.426 14 HB2 PRO 3 HB2 PRO 3 16.337 12.851 14.509 15 HB3 PRO 3 HB1 PRO 3 18.022 13.174 14.299 16 HG2 PRO 3 HG2 PRO 3 17.126 11.459 16.204 17 HG3 PRO 3 HG1 PRO 3 18.412 12.639 16.713 18 HD2 PRO 3 HD2 PRO 3 15.455 12.904 17.144 19 HD3 PRO 3 HD1 PRO 3 16.749 13.320 18.329 20 HA DPR 4 HA DPR 4 15.172 16.476 11.856 21 HB2 DPR 4 HB1 DPR 4 17.570 18.221 11.971 22 HB3 DPR 4 HB2 DPR 4 16.769 17.685 10.444 23 HG2 DPR 4 HG1 DPR 4 18.934 16.354 11.035 24 HG3 DPR 4 HG2 DPR 4 17.542 15.309 10.740 25 HD2 DPR 4 HD1 DPR 4 18.546 16.511 13.341 26 HD3 DPR 4 HD2 DPR 4 18.251 14.763 13.006 27 H LYS 5 H LYS 5 15.795 17.655 14.937 28 HA LYS 5 HA LYS 5 14.736 20.380 14.279 29 HB2 LYS 5 HB2 LYS 5 13.865 18.788 16.615 30 HB3 LYS 5 HB1 LYS 5 13.050 20.167 15.764 31 HG2 LYS 5 HG2 LYS 5 12.884 18.388 13.809 32 HG3 LYS 5 HG1 LYS 5 12.904 17.268 15.120 33 HD2 LYS 5 HD2 LYS 5 11.022 19.517 14.690 34 HD3 LYS 5 HD1 LYS 5 10.696 17.729 14.662 35 HE2 LYS 5 HE2 LYS 5 11.246 19.294 17.232 36 HE3 LYS 5 HE1 LYS 5 9.715 19.064 16.419 37 HZ1 LYS 5 HZ1 LYS 5 10.012 16.712 16.537 38 HZ2 LYS 5 HZ2 LYS 5 9.776 17.312 17.956 39 HZ3 LYS 5 HZ3 LYS 5 11.374 16.925 17.519 40 H DTH 6 H DTH 6 16.798 18.457 16.611 41 HA DTH 6 HA DTH 6 17.458 20.880 18.033 42 HB DTH 6 HB DTH 6 19.873 20.395 17.376 43 HG21 DTH 6 1HG2 DTH 6 19.414 18.248 15.780 44 HG22 DTH 6 2HG2 DTH 6 20.449 19.597 15.306 45 HG23 DTH 6 3HG2 DTH 6 18.721 19.362 14.741 46 HG1 DTH 6 HG1 DTH 6 19.677 21.715 15.620 47 H DAS 7 H DAS 7 19.005 20.623 19.724 48 HA DAS 7 HA DAS 7 19.331 19.650 21.665 49 HB2 DAS 7 HB1 DAS 7 20.943 17.827 19.855 50 HB3 DAS 7 HB2 DAS 7 21.132 18.078 21.650 Start of MODEL 13 1 H1 GLN 1 H1 GLN 1 20.060 16.321 20.724 2 HA GLN 1 HA GLN 1 19.104 14.372 21.242 3 HB2 GLN 1 HB2 GLN 1 17.320 15.901 23.165 4 HB3 GLN 1 HB1 GLN 1 17.798 14.210 23.143 5 HG2 GLN 1 HG2 GLN 1 19.942 16.249 23.659 6 HG3 GLN 1 HG1 GLN 1 18.895 15.284 24.820 7 HE21 GLN 1 1HE2 GLN 1 19.499 13.276 25.516 8 HE22 GLN 1 2HE2 GLN 1 20.607 12.254 24.695 9 H ASP 2 H ASP 2 17.503 16.389 19.388 10 HA ASP 2 HA ASP 2 15.105 14.690 19.078 11 HB2 ASP 2 HB2 ASP 2 14.566 16.421 20.582 12 HB3 ASP 2 HB1 ASP 2 15.277 17.673 19.521 13 HA PRO 3 HA PRO 3 17.729 14.769 15.581 14 HB2 PRO 3 HB2 PRO 3 15.544 12.841 14.632 15 HB3 PRO 3 HB1 PRO 3 17.255 12.782 14.166 16 HG2 PRO 3 HG2 PRO 3 16.520 11.256 16.113 17 HG3 PRO 3 HG1 PRO 3 17.920 12.242 16.365 18 HD2 PRO 3 HD2 PRO 3 14.997 12.748 17.193 19 HD3 PRO 3 HD1 PRO 3 16.544 13.082 18.132 20 HA DPR 4 HA DPR 4 15.794 16.577 12.023 21 HB2 DPR 4 HB1 DPR 4 18.113 18.440 12.067 22 HB3 DPR 4 HB2 DPR 4 17.377 17.482 10.756 23 HG2 DPR 4 HG1 DPR 4 19.694 16.614 11.728 24 HG3 DPR 4 HG2 DPR 4 18.365 15.460 11.445 25 HD2 DPR 4 HD1 DPR 4 18.878 16.732 14.103 26 HD3 DPR 4 HD2 DPR 4 18.472 14.985 13.682 27 H LYS 5 H LYS 5 15.374 17.605 14.799 28 HA LYS 5 HA LYS 5 14.706 20.499 14.318 29 HB2 LYS 5 HB2 LYS 5 13.376 18.296 16.071 30 HB3 LYS 5 HB1 LYS 5 12.960 20.048 15.973 31 HG2 LYS 5 HG2 LYS 5 12.585 19.741 13.536 32 HG3 LYS 5 HG1 LYS 5 12.784 18.086 13.719 33 HD2 LYS 5 HD2 LYS 5 10.588 19.829 15.034 34 HD3 LYS 5 HD1 LYS 5 10.392 18.597 13.860 35 HE2 LYS 5 HE2 LYS 5 11.237 16.886 15.645 36 HE3 LYS 5 HE1 LYS 5 11.160 18.260 16.781 37 HZ1 LYS 5 HZ1 LYS 5 8.999 17.002 15.198 38 HZ2 LYS 5 HZ2 LYS 5 8.809 18.303 16.351 39 HZ3 LYS 5 HZ3 LYS 5 9.189 16.897 16.774 40 H DTH 6 H DTH 6 16.716 18.563 16.227 41 HA DTH 6 HA DTH 6 17.390 20.901 17.940 42 HB DTH 6 HB DTH 6 19.747 20.807 17.154 43 HG21 DTH 6 1HG2 DTH 6 19.644 18.553 16.004 44 HG22 DTH 6 2HG2 DTH 6 20.308 19.930 15.100 45 HG23 DTH 6 3HG2 DTH 6 18.728 19.363 14.646 46 HG1 DTH 6 HG1 DTH 6 18.340 22.351 16.536 47 H DAS 7 H DAS 7 18.521 20.566 19.675 48 HA DAS 7 HA DAS 7 19.501 19.593 21.437 49 HB2 DAS 7 HB1 DAS 7 20.790 17.749 19.535 50 HB3 DAS 7 HB2 DAS 7 21.511 18.259 21.041 Start of MODEL 14 1 H1 GLN 1 H1 GLN 1 19.930 16.389 20.560 2 HA GLN 1 HA GLN 1 19.053 14.486 21.088 3 HB2 GLN 1 HB2 GLN 1 17.622 15.920 23.314 4 HB3 GLN 1 HB1 GLN 1 17.857 14.157 23.011 5 HG2 GLN 1 HG2 GLN 1 20.159 16.219 23.344 6 HG3 GLN 1 HG1 GLN 1 19.474 15.485 24.648 7 HE21 GLN 1 1HE2 GLN 1 19.897 12.977 24.857 8 HE22 GLN 1 2HE2 GLN 1 21.211 12.323 23.936 9 H ASP 2 H ASP 2 17.607 16.143 19.161 10 HA ASP 2 HA ASP 2 15.060 14.685 19.098 11 HB2 ASP 2 HB2 ASP 2 14.758 16.870 20.373 12 HB3 ASP 2 HB1 ASP 2 15.259 17.703 18.912 13 HA PRO 3 HA PRO 3 17.749 14.755 15.651 14 HB2 PRO 3 HB2 PRO 3 15.695 12.922 14.416 15 HB3 PRO 3 HB1 PRO 3 17.438 12.792 14.244 16 HG2 PRO 3 HG2 PRO 3 15.963 11.388 16.076 17 HG3 PRO 3 HG1 PRO 3 17.577 11.972 16.559 18 HD2 PRO 3 HD2 PRO 3 15.033 13.017 17.636 19 HD3 PRO 3 HD1 PRO 3 16.697 13.214 18.226 20 HA DPR 4 HA DPR 4 15.918 16.480 11.845 21 HB2 DPR 4 HB1 DPR 4 17.644 18.849 12.537 22 HB3 DPR 4 HB2 DPR 4 17.472 18.159 10.998 23 HG2 DPR 4 HG1 DPR 4 19.593 17.792 12.917 24 HG3 DPR 4 HG2 DPR 4 19.344 16.539 11.709 25 HD2 DPR 4 HD1 DPR 4 18.776 16.391 14.517 26 HD3 DPR 4 HD2 DPR 4 18.708 15.154 13.235 27 H LYS 5 H LYS 5 15.953 17.785 15.059 28 HA LYS 5 HA LYS 5 14.707 20.375 14.419 29 HB2 LYS 5 HB2 LYS 5 13.805 18.376 16.585 30 HB3 LYS 5 HB1 LYS 5 13.222 19.939 16.526 31 HG2 LYS 5 HG2 LYS 5 12.777 17.711 14.464 32 HG3 LYS 5 HG1 LYS 5 11.620 18.316 15.729 33 HD2 LYS 5 HD2 LYS 5 11.539 20.427 14.772 34 HD3 LYS 5 HD1 LYS 5 12.639 19.936 13.360 35 HE2 LYS 5 HE2 LYS 5 10.964 18.317 12.681 36 HE3 LYS 5 HE1 LYS 5 9.897 18.800 13.942 37 HZ1 LYS 5 HZ1 LYS 5 9.377 19.749 11.782 38 HZ2 LYS 5 HZ2 LYS 5 10.754 20.683 11.841 39 HZ3 LYS 5 HZ3 LYS 5 9.499 20.864 12.886 40 H DTH 6 H DTH 6 17.003 18.511 16.387 41 HA DTH 6 HA DTH 6 17.486 20.982 17.976 42 HB DTH 6 HB DTH 6 19.604 21.086 17.381 43 HG21 DTH 6 1HG2 DTH 6 19.915 18.820 16.101 44 HG22 DTH 6 2HG2 DTH 6 20.638 20.213 15.306 45 HG23 DTH 6 3HG2 DTH 6 19.065 19.642 14.783 46 HG1 DTH 6 HG1 DTH 6 17.921 21.589 15.122 47 H DAS 7 H DAS 7 18.711 20.676 19.657 48 HA DAS 7 HA DAS 7 19.134 19.567 21.468 49 HB2 DAS 7 HB1 DAS 7 21.175 17.943 19.928 50 HB3 DAS 7 HB2 DAS 7 21.026 18.055 21.648 Start of MODEL 15 1 H1 GLN 1 H1 GLN 1 19.830 16.909 19.977 2 HA GLN 1 HA GLN 1 19.370 14.743 20.162 3 HB2 GLN 1 HB2 GLN 1 18.325 15.211 22.909 4 HB3 GLN 1 HB1 GLN 1 18.792 13.661 22.193 5 HG2 GLN 1 HG2 GLN 1 20.608 16.041 22.687 6 HG3 GLN 1 HG1 GLN 1 20.647 14.605 23.719 7 HE21 GLN 1 1HE2 GLN 1 22.913 15.797 22.190 8 HE22 GLN 1 2HE2 GLN 1 23.313 14.652 20.961 9 H ASP 2 H ASP 2 17.315 16.697 19.248 10 HA ASP 2 HA ASP 2 15.044 14.722 19.145 11 HB2 ASP 2 HB2 ASP 2 14.384 16.746 20.337 12 HB3 ASP 2 HB1 ASP 2 14.987 17.747 19.024 13 HA PRO 3 HA PRO 3 17.370 14.487 15.756 14 HB2 PRO 3 HB2 PRO 3 15.347 12.759 14.272 15 HB3 PRO 3 HB1 PRO 3 17.049 12.448 14.447 16 HG2 PRO 3 HG2 PRO 3 15.227 11.286 16.184 17 HG3 PRO 3 HG1 PRO 3 16.766 11.798 16.788 18 HD2 PRO 3 HD2 PRO 3 14.087 13.241 16.976 19 HD3 PRO 3 HD1 PRO 3 15.507 13.111 18.178 20 HA DPR 4 HA DPR 4 15.916 16.305 12.017 21 HB2 DPR 4 HB1 DPR 4 17.697 18.257 11.492 22 HB3 DPR 4 HB2 DPR 4 17.750 16.609 11.039 23 HG2 DPR 4 HG1 DPR 4 19.171 17.840 13.339 24 HG3 DPR 4 HG2 DPR 4 19.765 16.590 12.203 25 HD2 DPR 4 HD1 DPR 4 18.757 16.002 14.758 26 HD3 DPR 4 HD2 DPR 4 18.528 14.863 13.439 27 H LYS 5 H LYS 5 16.221 17.779 15.061 28 HA LYS 5 HA LYS 5 14.796 20.216 14.231 29 HB2 LYS 5 HB2 LYS 5 13.831 18.221 16.262 30 HB3 LYS 5 HB1 LYS 5 13.216 19.896 16.201 31 HG2 LYS 5 HG2 LYS 5 12.549 19.480 13.887 32 HG3 LYS 5 HG1 LYS 5 13.171 17.849 13.967 33 HD2 LYS 5 HD2 LYS 5 11.689 17.414 15.950 34 HD3 LYS 5 HD1 LYS 5 10.963 18.943 15.790 35 HE2 LYS 5 HE2 LYS 5 9.715 17.110 14.795 36 HE3 LYS 5 HE1 LYS 5 10.030 18.474 13.579 37 HZ1 LYS 5 HZ1 LYS 5 11.379 17.012 12.397 38 HZ2 LYS 5 HZ2 LYS 5 10.308 15.983 12.946 39 HZ3 LYS 5 HZ3 LYS 5 11.728 16.060 13.693 40 H DTH 6 H DTH 6 16.892 18.711 16.424 41 HA DTH 6 HA DTH 6 17.380 21.057 18.114 42 HB DTH 6 HB DTH 6 19.711 21.208 17.447 43 HG21 DTH 6 1HG2 DTH 6 19.220 19.056 15.290 44 HG22 DTH 6 2HG2 DTH 6 20.533 19.251 16.506 45 HG23 DTH 6 3HG2 DTH 6 20.386 20.399 15.175 46 HG1 DTH 6 HG1 DTH 6 17.915 22.283 16.410 47 H DAS 7 H DAS 7 18.301 20.702 19.932 48 HA DAS 7 HA DAS 7 18.686 19.569 21.856 49 HB2 DAS 7 HB1 DAS 7 21.120 18.466 20.499 50 HB3 DAS 7 HB2 DAS 7 20.792 19.038 22.114 Start of MODEL 16 1 H1 GLN 1 H1 GLN 1 20.145 16.495 20.680 2 HA GLN 1 HA GLN 1 19.036 14.523 20.576 3 HB2 GLN 1 HB2 GLN 1 18.353 15.703 23.315 4 HB3 GLN 1 HB1 GLN 1 18.290 14.000 22.847 5 HG2 GLN 1 HG2 GLN 1 20.604 14.002 22.504 6 HG3 GLN 1 HG1 GLN 1 20.796 15.774 22.601 7 HE21 GLN 1 1HE2 GLN 1 22.593 14.810 24.344 8 HE22 GLN 1 2HE2 GLN 1 21.816 14.377 25.874 9 H ASP 2 H ASP 2 17.599 16.145 18.985 10 HA ASP 2 HA ASP 2 14.961 14.907 19.136 11 HB2 ASP 2 HB2 ASP 2 14.704 17.144 20.254 12 HB3 ASP 2 HB1 ASP 2 15.201 17.864 18.882 13 HA PRO 3 HA PRO 3 17.523 14.393 15.458 14 HB2 PRO 3 HB2 PRO 3 14.956 12.925 14.736 15 HB3 PRO 3 HB1 PRO 3 16.700 12.509 14.258 16 HG2 PRO 3 HG2 PRO 3 15.676 11.337 16.482 17 HG3 PRO 3 HG1 PRO 3 17.293 12.080 16.502 18 HD2 PRO 3 HD2 PRO 3 14.583 13.067 17.382 19 HD3 PRO 3 HD1 PRO 3 16.077 13.192 18.314 20 HA DPR 4 HA DPR 4 15.937 16.405 11.842 21 HB2 DPR 4 HB1 DPR 4 18.075 18.378 12.357 22 HB3 DPR 4 HB2 DPR 4 17.768 17.534 10.773 23 HG2 DPR 4 HG1 DPR 4 19.810 16.706 12.102 24 HG3 DPR 4 HG2 DPR 4 18.615 15.569 11.394 25 HD2 DPR 4 HD1 DPR 4 18.845 16.339 14.314 26 HD3 DPR 4 HD2 DPR 4 18.551 14.808 13.642 27 H LYS 5 H LYS 5 15.715 17.567 14.964 28 HA LYS 5 HA LYS 5 14.716 20.241 14.387 29 HB2 LYS 5 HB2 LYS 5 13.520 18.154 16.182 30 HB3 LYS 5 HB1 LYS 5 12.950 19.829 16.079 31 HG2 LYS 5 HG2 LYS 5 12.712 19.664 13.630 32 HG3 LYS 5 HG1 LYS 5 13.048 17.862 13.804 33 HD2 LYS 5 HD2 LYS 5 10.801 19.303 15.243 34 HD3 LYS 5 HD1 LYS 5 10.650 18.648 13.616 35 HE2 LYS 5 HE2 LYS 5 11.520 16.413 14.530 36 HE3 LYS 5 HE1 LYS 5 11.409 17.203 16.114 37 HZ1 LYS 5 HZ1 LYS 5 9.194 17.593 15.902 38 HZ2 LYS 5 HZ2 LYS 5 9.415 15.992 15.790 39 HZ3 LYS 5 HZ3 LYS 5 9.111 16.858 14.407 40 H DTH 6 H DTH 6 16.885 18.603 16.511 41 HA DTH 6 HA DTH 6 17.215 20.935 18.189 42 HB DTH 6 HB DTH 6 19.175 21.616 17.810 43 HG21 DTH 6 1HG2 DTH 6 20.616 19.723 16.823 44 HG22 DTH 6 2HG2 DTH 6 20.658 21.055 15.792 45 HG23 DTH 6 3HG2 DTH 6 19.548 19.764 15.387 46 HG1 DTH 6 HG1 DTH 6 18.994 22.788 15.980 47 H DAS 7 H DAS 7 18.559 20.664 19.826 48 HA DAS 7 HA DAS 7 19.387 19.651 21.713 49 HB2 DAS 7 HB1 DAS 7 20.922 18.180 19.616 50 HB3 DAS 7 HB2 DAS 7 21.468 18.464 21.247 Start of MODEL 17 1 H1 GLN 1 H1 GLN 1 19.899 16.734 21.073 2 HA GLN 1 HA GLN 1 18.932 14.626 21.072 3 HB2 GLN 1 HB2 GLN 1 17.243 15.821 23.313 4 HB3 GLN 1 HB1 GLN 1 17.919 14.224 23.276 5 HG2 GLN 1 HG2 GLN 1 19.421 16.827 23.753 6 HG3 GLN 1 HG1 GLN 1 18.984 15.623 24.939 7 HE21 GLN 1 1HE2 GLN 1 21.431 15.490 25.471 8 HE22 GLN 1 2HE2 GLN 1 22.240 14.319 24.415 9 H ASP 2 H ASP 2 17.638 16.399 19.150 10 HA ASP 2 HA ASP 2 15.322 14.489 18.956 11 HB2 ASP 2 HB2 ASP 2 14.594 16.402 20.169 12 HB3 ASP 2 HB1 ASP 2 15.083 17.483 18.884 13 HA PRO 3 HA PRO 3 17.636 14.426 15.111 14 HB2 PRO 3 HB2 PRO 3 15.212 12.739 14.442 15 HB3 PRO 3 HB1 PRO 3 16.904 12.523 13.958 16 HG2 PRO 3 HG2 PRO 3 16.012 11.128 16.036 17 HG3 PRO 3 HG1 PRO 3 17.627 11.861 16.112 18 HD2 PRO 3 HD2 PRO 3 15.116 12.859 17.510 19 HD3 PRO 3 HD1 PRO 3 16.802 12.999 17.941 20 HA DPR 4 HA DPR 4 15.327 16.633 12.089 21 HB2 DPR 4 HB1 DPR 4 17.067 18.214 10.922 22 HB3 DPR 4 HB2 DPR 4 17.115 16.534 10.824 23 HG2 DPR 4 HG1 DPR 4 18.695 18.288 12.805 24 HG3 DPR 4 HG2 DPR 4 19.303 16.939 11.794 25 HD2 DPR 4 HD1 DPR 4 18.554 16.585 14.557 26 HD3 DPR 4 HD2 DPR 4 18.482 15.352 13.346 27 H LYS 5 H LYS 5 15.311 17.500 14.921 28 HA LYS 5 HA LYS 5 14.494 20.276 14.514 29 HB2 LYS 5 HB2 LYS 5 13.951 18.742 17.035 30 HB3 LYS 5 HB1 LYS 5 13.267 20.244 16.437 31 HG2 LYS 5 HG2 LYS 5 12.267 18.885 14.535 32 HG3 LYS 5 HG1 LYS 5 12.889 17.519 15.520 33 HD2 LYS 5 HD2 LYS 5 11.535 18.687 17.408 34 HD3 LYS 5 HD1 LYS 5 10.572 19.376 16.143 35 HE2 LYS 5 HE2 LYS 5 9.382 17.672 16.033 36 HE3 LYS 5 HE1 LYS 5 10.702 16.641 15.475 37 HZ1 LYS 5 HZ1 LYS 5 11.108 16.405 18.080 38 HZ2 LYS 5 HZ2 LYS 5 9.916 15.627 17.441 39 HZ3 LYS 5 HZ3 LYS 5 9.640 17.024 18.259 40 H DTH 6 H DTH 6 16.821 18.595 16.511 41 HA DTH 6 HA DTH 6 17.917 21.023 17.726 42 HB DTH 6 HB DTH 6 19.040 20.946 15.586 43 HG21 DTH 6 1HG2 DTH 6 21.019 19.627 17.495 44 HG22 DTH 6 2HG2 DTH 6 20.482 21.230 17.665 45 HG23 DTH 6 3HG2 DTH 6 21.382 20.837 16.214 46 HG1 DTH 6 HG1 DTH 6 20.227 18.903 15.035 47 H DAS 7 H DAS 7 18.681 20.785 19.605 48 HA DAS 7 HA DAS 7 19.047 19.860 21.705 49 HB2 DAS 7 HB1 DAS 7 20.792 18.065 20.110 50 HB3 DAS 7 HB2 DAS 7 20.950 18.281 21.804 Start of MODEL 18 1 H1 GLN 1 H1 GLN 1 20.016 16.796 20.413 2 HA GLN 1 HA GLN 1 19.456 14.717 20.525 3 HB2 GLN 1 HB2 GLN 1 18.142 15.277 23.165 4 HB3 GLN 1 HB1 GLN 1 18.527 13.706 22.580 5 HG2 GLN 1 HG2 GLN 1 20.935 14.118 22.361 6 HG3 GLN 1 HG1 GLN 1 20.630 15.598 23.269 7 HE21 GLN 1 1HE2 GLN 1 22.304 14.131 24.881 8 HE22 GLN 1 2HE2 GLN 1 21.424 13.013 25.861 9 H ASP 2 H ASP 2 17.837 16.221 18.943 10 HA ASP 2 HA ASP 2 15.255 14.880 19.108 11 HB2 ASP 2 HB2 ASP 2 14.985 17.189 20.079 12 HB3 ASP 2 HB1 ASP 2 15.692 17.845 18.573 13 HA PRO 3 HA PRO 3 17.209 13.993 15.412 14 HB2 PRO 3 HB2 PRO 3 14.610 12.911 14.392 15 HB3 PRO 3 HB1 PRO 3 16.240 12.133 14.441 16 HG2 PRO 3 HG2 PRO 3 14.067 11.883 16.231 17 HG3 PRO 3 HG1 PRO 3 15.919 11.435 16.513 18 HD2 PRO 3 HD2 PRO 3 14.025 13.570 17.507 19 HD3 PRO 3 HD1 PRO 3 15.578 13.088 18.211 20 HA DPR 4 HA DPR 4 15.634 16.606 11.965 21 HB2 DPR 4 HB1 DPR 4 17.815 18.042 11.311 22 HB3 DPR 4 HB2 DPR 4 17.803 16.269 11.271 23 HG2 DPR 4 HG1 DPR 4 18.717 17.966 13.660 24 HG3 DPR 4 HG2 DPR 4 19.733 16.774 12.717 25 HD2 DPR 4 HD1 DPR 4 18.325 16.236 14.958 26 HD3 DPR 4 HD2 DPR 4 18.506 14.962 13.709 27 H LYS 5 H LYS 5 15.718 17.655 15.046 28 HA LYS 5 HA LYS 5 14.970 20.474 14.386 29 HB2 LYS 5 HB2 LYS 5 13.642 18.455 16.183 30 HB3 LYS 5 HB1 LYS 5 13.218 20.199 16.110 31 HG2 LYS 5 HG2 LYS 5 12.793 20.111 13.799 32 HG3 LYS 5 HG1 LYS 5 13.034 18.311 13.819 33 HD2 LYS 5 HD2 LYS 5 10.797 19.934 15.093 34 HD3 LYS 5 HD1 LYS 5 10.832 18.930 13.673 35 HE2 LYS 5 HE2 LYS 5 9.554 17.808 15.393 36 HE3 LYS 5 HE1 LYS 5 10.995 16.899 15.080 37 HZ1 LYS 5 HZ1 LYS 5 10.434 17.138 17.414 38 HZ2 LYS 5 HZ2 LYS 5 10.917 18.725 17.327 39 HZ3 LYS 5 HZ3 LYS 5 11.952 17.591 17.140 40 H DTH 6 H DTH 6 17.163 18.640 16.426 41 HA DTH 6 HA DTH 6 17.405 21.085 17.979 42 HB DTH 6 HB DTH 6 18.643 21.700 16.086 43 HG21 DTH 6 1HG2 DTH 6 21.033 21.409 16.625 44 HG22 DTH 6 2HG2 DTH 6 20.679 20.460 18.096 45 HG23 DTH 6 3HG2 DTH 6 20.176 22.047 18.077 46 HG1 DTH 6 HG1 DTH 6 20.049 19.339 16.020 47 H DAS 7 H DAS 7 18.131 20.761 20.048 48 HA DAS 7 HA DAS 7 18.651 19.592 21.947 49 HB2 DAS 7 HB1 DAS 7 20.770 18.722 20.076 50 HB3 DAS 7 HB2 DAS 7 20.904 18.565 21.836 Start of MODEL 19 1 H1 GLN 1 H1 GLN 1 19.979 16.698 20.581 2 HA GLN 1 HA GLN 1 19.103 14.580 20.779 3 HB2 GLN 1 HB2 GLN 1 18.084 15.582 23.502 4 HB3 GLN 1 HB1 GLN 1 18.306 13.922 22.908 5 HG2 GLN 1 HG2 GLN 1 20.406 16.046 23.153 6 HG3 GLN 1 HG1 GLN 1 19.893 14.875 24.480 7 HE21 GLN 1 1HE2 GLN 1 20.063 12.660 23.930 8 HE22 GLN 1 2HE2 GLN 1 21.187 11.973 22.707 9 H ASP 2 H ASP 2 17.434 16.522 19.441 10 HA ASP 2 HA ASP 2 15.210 14.616 19.063 11 HB2 ASP 2 HB2 ASP 2 14.462 16.528 20.332 12 HB3 ASP 2 HB1 ASP 2 14.662 17.562 19.023 13 HA PRO 3 HA PRO 3 17.685 14.563 15.426 14 HB2 PRO 3 HB2 PRO 3 15.363 12.908 14.385 15 HB3 PRO 3 HB1 PRO 3 17.126 12.631 14.152 16 HG2 PRO 3 HG2 PRO 3 15.778 11.334 16.044 17 HG3 PRO 3 HG1 PRO 3 17.368 12.067 16.463 18 HD2 PRO 3 HD2 PRO 3 14.608 13.045 17.051 19 HD3 PRO 3 HD1 PRO 3 15.997 13.057 18.153 20 HA DPR 4 HA DPR 4 15.549 16.678 11.877 21 HB2 DPR 4 HB1 DPR 4 17.409 18.340 11.305 22 HB3 DPR 4 HB2 DPR 4 17.595 16.629 10.881 23 HG2 DPR 4 HG1 DPR 4 18.892 18.267 13.068 24 HG3 DPR 4 HG2 DPR 4 19.627 16.912 12.164 25 HD2 DPR 4 HD1 DPR 4 18.507 16.583 14.651 26 HD3 DPR 4 HD2 DPR 4 18.726 15.293 13.527 27 H LYS 5 H LYS 5 15.921 17.843 15.011 28 HA LYS 5 HA LYS 5 15.169 20.486 14.353 29 HB2 LYS 5 HB2 LYS 5 12.996 20.435 15.755 30 HB3 LYS 5 HB1 LYS 5 13.051 19.648 14.156 31 HG2 LYS 5 HG2 LYS 5 13.135 17.495 15.367 32 HG3 LYS 5 HG1 LYS 5 13.057 18.442 16.893 33 HD2 LYS 5 HD2 LYS 5 11.014 19.120 16.778 34 HD3 LYS 5 HD1 LYS 5 11.044 19.269 15.021 35 HE2 LYS 5 HE2 LYS 5 9.472 17.425 15.325 36 HE3 LYS 5 HE1 LYS 5 10.959 16.768 14.789 37 HZ1 LYS 5 HZ1 LYS 5 11.469 16.252 17.072 38 HZ2 LYS 5 HZ2 LYS 5 9.938 15.620 16.722 39 HZ3 LYS 5 HZ3 LYS 5 10.137 16.984 17.642 40 H DTH 6 H DTH 6 16.561 18.489 16.846 41 HA DTH 6 HA DTH 6 17.604 20.950 17.886 42 HB DTH 6 HB DTH 6 18.386 20.857 15.527 43 HG21 DTH 6 1HG2 DTH 6 20.795 21.113 16.034 44 HG22 DTH 6 2HG2 DTH 6 20.518 20.297 17.588 45 HG23 DTH 6 3HG2 DTH 6 19.781 21.891 17.314 46 HG1 DTH 6 HG1 DTH 6 19.800 19.403 14.835 47 H DAS 7 H DAS 7 18.777 20.679 19.591 48 HA DAS 7 HA DAS 7 19.090 19.789 21.601 49 HB2 DAS 7 HB1 DAS 7 21.082 18.364 19.971 50 HB3 DAS 7 HB2 DAS 7 21.019 18.306 21.720 Start of MODEL 20 1 H1 GLN 1 H1 GLN 1 19.751 16.631 20.269 2 HA GLN 1 HA GLN 1 19.197 14.596 20.606 3 HB2 GLN 1 HB2 GLN 1 18.083 15.586 23.238 4 HB3 GLN 1 HB1 GLN 1 18.226 13.906 22.677 5 HG2 GLN 1 HG2 GLN 1 20.508 13.963 22.703 6 HG3 GLN 1 HG1 GLN 1 20.646 15.728 22.894 7 HE21 GLN 1 1HE2 GLN 1 20.080 16.779 25.034 8 HE22 GLN 1 2HE2 GLN 1 20.394 15.729 26.453 9 H ASP 2 H ASP 2 17.337 16.655 19.506 10 HA ASP 2 HA ASP 2 15.171 14.711 19.005 11 HB2 ASP 2 HB2 ASP 2 15.013 17.691 18.393 12 HB3 ASP 2 HB1 ASP 2 13.811 16.574 18.155 13 HA PRO 3 HA PRO 3 17.778 14.557 15.345 14 HB2 PRO 3 HB2 PRO 3 15.648 12.846 14.273 15 HB3 PRO 3 HB1 PRO 3 17.441 12.733 14.258 16 HG2 PRO 3 HG2 PRO 3 15.621 11.443 16.013 17 HG3 PRO 3 HG1 PRO 3 17.378 11.641 16.387 18 HD2 PRO 3 HD2 PRO 3 14.942 13.107 17.418 19 HD3 PRO 3 HD1 PRO 3 16.632 13.029 18.113 20 HA DPR 4 HA DPR 4 15.470 16.320 12.002 21 HB2 DPR 4 HB1 DPR 4 17.581 18.548 12.173 22 HB3 DPR 4 HB2 DPR 4 17.006 17.830 10.697 23 HG2 DPR 4 HG1 DPR 4 19.438 16.939 11.653 24 HG3 DPR 4 HG2 DPR 4 18.290 15.902 10.895 25 HD2 DPR 4 HD1 DPR 4 18.841 16.467 13.765 26 HD3 DPR 4 HD2 DPR 4 18.418 14.918 13.127 27 H LYS 5 H LYS 5 15.818 17.753 14.984 28 HA LYS 5 HA LYS 5 14.765 20.465 14.427 29 HB2 LYS 5 HB2 LYS 5 12.885 19.318 15.173 30 HB3 LYS 5 HB1 LYS 5 13.898 18.291 16.260 31 HG2 LYS 5 HG2 LYS 5 14.139 20.246 17.722 32 HG3 LYS 5 HG1 LYS 5 13.048 21.133 16.740 33 HD2 LYS 5 HD2 LYS 5 11.167 19.380 17.271 34 HD3 LYS 5 HD1 LYS 5 12.408 18.589 18.217 35 HE2 LYS 5 HE2 LYS 5 11.454 21.461 18.667 36 HE3 LYS 5 HE1 LYS 5 10.849 20.024 19.565 37 HZ1 LYS 5 HZ1 LYS 5 12.581 20.916 20.867 38 HZ2 LYS 5 HZ2 LYS 5 13.663 21.198 19.732 39 HZ3 LYS 5 HZ3 LYS 5 13.261 19.709 20.065 40 H DTH 6 H DTH 6 16.816 18.458 16.652 41 HA DTH 6 HA DTH 6 17.788 20.953 17.702 42 HB DTH 6 HB DTH 6 19.007 20.821 15.705 43 HG21 DTH 6 1HG2 DTH 6 20.849 21.049 17.334 44 HG22 DTH 6 2HG2 DTH 6 21.375 19.912 16.075 45 HG23 DTH 6 3HG2 DTH 6 20.888 19.379 17.688 46 HG1 DTH 6 HG1 DTH 6 19.766 19.028 14.861 47 H DAS 7 H DAS 7 18.517 20.737 19.787 48 HA DAS 7 HA DAS 7 18.632 19.821 21.769 49 HB2 DAS 7 HB1 DAS 7 21.009 18.479 20.675 50 HB3 DAS 7 HB2 DAS 7 20.694 18.987 22.374
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