NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623973 | 6be7 | 30355 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 HN ASP 1 37.580 20.500 23.230 2 HA ASP 1 HA ASP 1 35.090 21.510 24.390 3 HB2 ASP 1 HB2 ASP 1 37.880 22.450 24.840 4 HB3 ASP 1 HB1 ASP 1 36.460 22.630 25.890 5 H ASP 2 HN ASP 2 37.260 22.500 21.830 6 HA ASP 2 HA ASP 2 35.870 25.000 21.450 7 HB2 ASP 2 HB2 ASP 2 38.400 24.580 20.800 8 HB3 ASP 2 HB1 ASP 2 37.740 23.510 19.590 9 HA PRO 3 HA PRO 3 32.870 22.830 18.960 10 HB2 PRO 3 HB2 PRO 3 31.440 24.840 17.880 11 HB3 PRO 3 HB1 PRO 3 31.320 24.300 19.560 12 HG2 PRO 3 HG2 PRO 3 33.190 26.440 18.470 13 HG3 PRO 3 HG1 PRO 3 31.980 26.740 19.770 14 HD2 PRO 3 HD2 PRO 3 34.440 26.290 20.430 15 HD3 PRO 3 HD1 PRO 3 33.140 25.400 21.250 16 H THR 4 HN THR 4 35.260 25.120 17.750 17 HA THR 4 HA THR 4 34.520 25.170 15.050 18 HB THR 4 HB THR 4 37.410 25.580 15.900 19 HG1 THR 4 HG1 THR 4 36.310 26.730 17.340 20 HG21 THR 4 1HG2 THR 4 37.140 27.320 14.180 21 HG22 THR 4 2HG2 THR 4 35.550 26.680 13.610 22 HG23 THR 4 3HG2 THR 4 36.910 25.740 13.540 23 HA DPR 5 HA DPR 5 36.710 21.720 13.400 24 HB2 DPR 5 HB2 DPR 5 35.530 22.310 11.380 25 HB3 DPR 5 HB1 DPR 5 34.760 20.770 11.750 26 HG2 DPR 5 HG2 DPR 5 33.560 23.140 11.290 27 HG3 DPR 5 HG1 DPR 5 32.830 22.070 12.570 28 HD2 DPR 5 HD2 DPR 5 34.540 24.510 12.810 29 HD3 DPR 5 HD1 DPR 5 33.290 23.960 13.960 30 H DAR 6 HN DAR 6 34.210 21.580 15.720 31 HA DAR 6 HA DAR 6 33.850 18.740 15.820 32 HB2 DAR 6 HB2 DAR 6 33.940 20.960 17.920 33 HB3 DAR 6 HB1 DAR 6 32.580 20.580 16.950 34 HG2 DAR 6 HG2 DAR 6 32.740 18.080 17.750 35 HG3 DAR 6 HG1 DAR 6 33.880 18.730 18.920 36 HD2 DAR 6 HD2 DAR 6 31.080 19.690 18.780 37 HD3 DAR 6 HD1 DAR 6 31.640 18.440 19.870 38 HE DAR 6 HE DAR 6 33.200 20.210 20.800 39 HH11 DAR 6 1HH1 DAR 6 32.920 22.120 21.990 40 HH12 DAR 6 2HH1 DAR 6 31.450 22.890 22.020 41 HH21 DAR 6 1HH2 DAR 6 29.910 20.810 19.640 42 HH22 DAR 6 2HH2 DAR 6 29.680 22.190 20.720 43 H GLN 7 HN GLN 7 36.330 20.830 17.090 44 HA GLN 7 HA GLN 7 38.310 18.740 17.210 45 HB2 GLN 7 HB2 GLN 7 38.330 21.560 18.340 46 HB3 GLN 7 HB1 GLN 7 39.620 20.380 18.530 47 HG2 GLN 7 HG2 GLN 7 40.160 20.290 16.200 48 HG3 GLN 7 HG1 GLN 7 38.710 21.070 15.780 49 HE21 GLN 7 1HE2 GLN 7 38.490 23.250 16.060 50 HE22 GLN 7 2HE2 GLN 7 39.790 24.340 16.650 51 H DGN 8 HN DGN 8 36.180 20.200 19.740 52 HA DGN 8 HA DGN 8 37.400 18.790 21.910 53 HB2 DGN 8 HB2 DGN 8 34.640 18.010 20.880 54 HB3 DGN 8 HB1 DGN 8 36.060 16.940 20.960 55 HG2 DGN 8 HG2 DGN 8 34.930 16.120 22.820 56 HG3 DGN 8 HG1 DGN 8 35.850 17.460 23.550 57 HE21 DGN 8 1HE2 DGN 8 32.810 17.030 21.760 58 HE22 DGN 8 2HE2 DGN 8 31.810 17.950 22.890 Start of MODEL 2 1 H1 ASP 1 HN ASP 1 37.251 19.959 23.500 2 HA ASP 1 HA ASP 1 35.082 21.511 24.519 3 HB2 ASP 1 HB2 ASP 1 37.992 22.303 24.794 4 HB3 ASP 1 HB1 ASP 1 36.743 23.020 25.572 5 H ASP 2 HN ASP 2 37.053 22.320 21.533 6 HA ASP 2 HA ASP 2 35.950 25.060 21.306 7 HB2 ASP 2 HB2 ASP 2 38.243 24.632 20.851 8 HB3 ASP 2 HB1 ASP 2 37.859 23.374 19.745 9 HA PRO 3 HA PRO 3 32.611 23.045 18.842 10 HB2 PRO 3 HB2 PRO 3 32.040 25.919 18.256 11 HB3 PRO 3 HB1 PRO 3 30.989 24.587 18.513 12 HG2 PRO 3 HG2 PRO 3 31.694 26.424 20.389 13 HG3 PRO 3 HG1 PRO 3 31.464 24.681 20.913 14 HD2 PRO 3 HD2 PRO 3 33.943 26.288 20.424 15 HD3 PRO 3 HD1 PRO 3 33.566 25.018 21.660 16 H THR 4 HN THR 4 35.395 24.662 17.831 17 HA THR 4 HA THR 4 34.512 25.218 15.017 18 HB THR 4 HB THR 4 37.231 25.609 16.125 19 HG1 THR 4 HG1 THR 4 35.858 26.699 17.303 20 HG21 THR 4 1HG2 THR 4 37.485 27.138 14.302 21 HG22 THR 4 2HG2 THR 4 35.753 26.704 13.740 22 HG23 THR 4 3HG2 THR 4 37.099 25.533 13.716 23 HA DPR 5 HA DPR 5 36.699 21.773 13.063 24 HB2 DPR 5 HB2 DPR 5 35.284 22.113 11.179 25 HB3 DPR 5 HB1 DPR 5 34.801 20.608 11.831 26 HG2 DPR 5 HG2 DPR 5 33.067 22.816 11.573 27 HG3 DPR 5 HG1 DPR 5 32.956 21.685 13.059 28 HD2 DPR 5 HD2 DPR 5 34.334 24.351 12.569 29 HD3 DPR 5 HD1 DPR 5 33.411 23.960 13.983 30 H DAR 6 HN DAR 6 34.157 21.584 15.487 31 HA DAR 6 HA DAR 6 33.983 18.870 16.011 32 HB2 DAR 6 HB2 DAR 6 33.773 21.157 17.997 33 HB3 DAR 6 HB1 DAR 6 32.487 20.538 16.833 34 HG2 DAR 6 HG2 DAR 6 32.686 18.397 17.747 35 HG3 DAR 6 HG1 DAR 6 33.833 18.945 18.964 36 HD2 DAR 6 HD2 DAR 6 31.154 20.405 18.741 37 HD3 DAR 6 HD1 DAR 6 31.192 18.998 19.694 38 HE DAR 6 HE DAR 6 33.259 20.291 20.839 39 HH11 DAR 6 1HH1 DAR 6 33.156 21.392 22.373 40 HH12 DAR 6 2HH1 DAR 6 31.832 22.341 22.993 41 HH21 DAR 6 1HH2 DAR 6 29.876 21.397 20.075 42 HH22 DAR 6 2HH2 DAR 6 29.857 22.318 21.568 43 H GLN 7 HN GLN 7 36.080 21.408 17.600 44 HA GLN 7 HA GLN 7 38.128 19.224 17.883 45 HB2 GLN 7 HB2 GLN 7 38.389 22.168 17.929 46 HB3 GLN 7 HB1 GLN 7 39.608 21.192 18.327 47 HG2 GLN 7 HG2 GLN 7 39.721 19.986 16.045 48 HG3 GLN 7 HG1 GLN 7 38.420 20.926 15.542 49 HE21 GLN 7 1HE2 GLN 7 38.605 23.289 15.274 50 HE22 GLN 7 2HE2 GLN 7 40.093 24.041 15.252 51 H DGN 8 HN DGN 8 36.480 18.508 19.481 52 HA DGN 8 HA DGN 8 37.546 18.686 22.049 53 HB2 DGN 8 HB2 DGN 8 35.011 17.509 20.886 54 HB3 DGN 8 HB1 DGN 8 36.552 16.727 21.067 55 HG2 DGN 8 HG2 DGN 8 35.302 15.828 22.952 56 HG3 DGN 8 HG1 DGN 8 36.128 17.148 23.656 57 HE21 DGN 8 1HE2 DGN 8 34.783 18.140 25.118 58 HE22 DGN 8 2HE2 DGN 8 33.050 18.241 24.956 Start of MODEL 3 1 H1 ASP 1 HN ASP 1 37.038 20.779 22.370 2 HA ASP 1 HA ASP 1 35.016 21.597 24.395 3 HB2 ASP 1 HB2 ASP 1 37.846 22.565 24.776 4 HB3 ASP 1 HB1 ASP 1 36.431 22.886 25.689 5 H ASP 2 HN ASP 2 37.455 22.536 21.800 6 HA ASP 2 HA ASP 2 36.015 25.055 21.416 7 HB2 ASP 2 HB2 ASP 2 38.458 24.776 21.191 8 HB3 ASP 2 HB1 ASP 2 38.326 23.657 19.856 9 HA PRO 3 HA PRO 3 33.171 22.517 18.898 10 HB2 PRO 3 HB2 PRO 3 31.373 24.410 18.199 11 HB3 PRO 3 HB1 PRO 3 31.578 23.961 19.911 12 HG2 PRO 3 HG2 PRO 3 32.837 26.303 18.350 13 HG3 PRO 3 HG1 PRO 3 31.959 26.410 19.823 14 HD2 PRO 3 HD2 PRO 3 34.693 26.100 19.915 15 HD3 PRO 3 HD1 PRO 3 33.551 25.422 21.159 16 H THR 4 HN THR 4 35.331 25.168 17.767 17 HA THR 4 HA THR 4 34.339 25.294 15.211 18 HB THR 4 HB THR 4 37.242 25.750 15.543 19 HG1 THR 4 HG1 THR 4 36.334 26.593 17.214 20 HG21 THR 4 1HG2 THR 4 35.902 26.216 13.342 21 HG22 THR 4 2HG2 THR 4 37.028 27.422 14.147 22 HG23 THR 4 3HG2 THR 4 35.207 27.558 14.279 23 HA DPR 5 HA DPR 5 36.653 21.984 13.055 24 HB2 DPR 5 HB2 DPR 5 35.286 21.950 11.186 25 HB3 DPR 5 HB1 DPR 5 34.353 20.699 11.975 26 HG2 DPR 5 HG2 DPR 5 33.179 22.879 11.449 27 HG3 DPR 5 HG1 DPR 5 32.738 21.998 12.916 28 HD2 DPR 5 HD2 DPR 5 34.750 24.371 12.536 29 HD3 DPR 5 HD1 DPR 5 33.301 24.082 13.700 30 H DAR 6 HN DAR 6 34.406 21.618 15.657 31 HA DAR 6 HA DAR 6 33.934 18.816 15.650 32 HB2 DAR 6 HB2 DAR 6 33.666 20.759 17.952 33 HB3 DAR 6 HB1 DAR 6 32.448 20.333 16.642 34 HG2 DAR 6 HG2 DAR 6 32.126 18.151 17.313 35 HG3 DAR 6 HG1 DAR 6 33.484 18.128 18.321 36 HD2 DAR 6 HD2 DAR 6 30.815 19.598 18.566 37 HD3 DAR 6 HD1 DAR 6 31.265 18.160 19.435 38 HE DAR 6 HE DAR 6 33.214 19.623 20.375 39 HH11 DAR 6 1HH1 DAR 6 32.958 21.131 22.152 40 HH12 DAR 6 2HH1 DAR 6 31.617 22.237 22.315 41 HH21 DAR 6 1HH2 DAR 6 29.981 21.091 19.416 42 HH22 DAR 6 2HH2 DAR 6 29.867 21.918 20.894 43 H GLN 7 HN GLN 7 36.166 20.891 17.371 44 HA GLN 7 HA GLN 7 37.977 18.615 17.514 45 HB2 GLN 7 HB2 GLN 7 38.144 21.547 18.138 46 HB3 GLN 7 HB1 GLN 7 39.534 20.392 18.193 47 HG2 GLN 7 HG2 GLN 7 39.600 20.185 15.738 48 HG3 GLN 7 HG1 GLN 7 38.222 21.261 15.602 49 HE21 GLN 7 1HE2 GLN 7 38.523 23.529 15.807 50 HE22 GLN 7 2HE2 GLN 7 40.101 24.214 16.113 51 H DGN 8 HN DGN 8 35.836 19.882 19.770 52 HA DGN 8 HA DGN 8 37.423 18.842 21.984 53 HB2 DGN 8 HB2 DGN 8 35.260 17.520 22.652 54 HB3 DGN 8 HB1 DGN 8 34.913 17.553 20.889 55 HG2 DGN 8 HG2 DGN 8 36.736 16.223 20.347 56 HG3 DGN 8 HG1 DGN 8 37.567 16.565 21.961 57 HE21 DGN 8 1HE2 DGN 8 37.464 13.986 21.136 58 HE22 DGN 8 2HE2 DGN 8 36.153 13.173 22.069 Start of MODEL 4 1 H1 ASP 1 HN ASP 1 37.370 20.544 22.236 2 HA ASP 1 HA ASP 1 35.349 21.286 24.149 3 HB2 ASP 1 HB2 ASP 1 38.087 22.317 24.647 4 HB3 ASP 1 HB1 ASP 1 36.750 22.533 25.658 5 H ASP 2 HN ASP 2 36.535 22.133 21.315 6 HA ASP 2 HA ASP 2 35.606 24.927 21.450 7 HB2 ASP 2 HB2 ASP 2 38.085 24.444 20.970 8 HB3 ASP 2 HB1 ASP 2 37.482 23.907 19.388 9 HA PRO 3 HA PRO 3 32.388 23.329 18.745 10 HB2 PRO 3 HB2 PRO 3 31.577 25.730 17.696 11 HB3 PRO 3 HB1 PRO 3 31.073 24.902 19.262 12 HG2 PRO 3 HG2 PRO 3 33.049 27.142 18.799 13 HG3 PRO 3 HG1 PRO 3 31.847 26.977 20.074 14 HD2 PRO 3 HD2 PRO 3 34.531 26.322 20.382 15 HD3 PRO 3 HD1 PRO 3 33.257 25.467 21.313 16 H THR 4 HN THR 4 35.092 25.273 17.706 17 HA THR 4 HA THR 4 34.758 25.349 15.020 18 HB THR 4 HB THR 4 37.521 25.125 16.302 19 HG1 THR 4 HG1 THR 4 36.490 26.883 17.209 20 HG21 THR 4 1HG2 THR 4 37.726 24.853 13.977 21 HG22 THR 4 2HG2 THR 4 38.086 26.557 14.249 22 HG23 THR 4 3HG2 THR 4 36.446 26.043 13.700 23 HA DPR 5 HA DPR 5 36.835 21.629 13.492 24 HB2 DPR 5 HB2 DPR 5 36.058 22.079 11.451 25 HB3 DPR 5 HB1 DPR 5 34.996 20.712 11.729 26 HG2 DPR 5 HG2 DPR 5 33.753 23.002 11.269 27 HG3 DPR 5 HG1 DPR 5 33.262 21.951 12.676 28 HD2 DPR 5 HD2 DPR 5 34.687 24.614 12.812 29 HD3 DPR 5 HD1 DPR 5 33.473 23.904 13.844 30 H DAR 6 HN DAR 6 34.139 21.659 15.673 31 HA DAR 6 HA DAR 6 33.899 18.830 15.877 32 HB2 DAR 6 HB2 DAR 6 33.508 20.949 18.035 33 HB3 DAR 6 HB1 DAR 6 32.322 20.461 16.934 34 HG2 DAR 6 HG2 DAR 6 32.121 18.266 17.883 35 HG3 DAR 6 HG1 DAR 6 33.546 18.626 18.923 36 HD2 DAR 6 HD2 DAR 6 30.888 20.097 18.914 37 HD3 DAR 6 HD1 DAR 6 31.213 18.849 20.133 38 HE DAR 6 HE DAR 6 33.260 20.081 20.739 39 HH11 DAR 6 1HH1 DAR 6 33.722 21.612 22.115 40 HH12 DAR 6 2HH1 DAR 6 32.404 22.785 22.636 41 HH21 DAR 6 1HH2 DAR 6 30.244 21.862 20.216 42 HH22 DAR 6 2HH2 DAR 6 30.826 23.104 21.394 43 H GLN 7 HN GLN 7 36.203 21.026 17.330 44 HA GLN 7 HA GLN 7 37.945 18.663 17.816 45 HB2 GLN 7 HB2 GLN 7 38.478 21.707 17.426 46 HB3 GLN 7 HB1 GLN 7 39.628 20.396 18.098 47 HG2 GLN 7 HG2 GLN 7 39.582 19.124 16.255 48 HG3 GLN 7 HG1 GLN 7 38.212 19.823 15.554 49 HE21 GLN 7 1HE2 GLN 7 39.443 20.088 13.533 50 HE22 GLN 7 2HE2 GLN 7 40.580 21.413 13.404 51 H DGN 8 HN DGN 8 36.609 17.954 19.552 52 HA DGN 8 HA DGN 8 37.707 18.485 22.000 53 HB2 DGN 8 HB2 DGN 8 34.995 17.346 21.124 54 HB3 DGN 8 HB1 DGN 8 36.369 16.369 21.277 55 HG2 DGN 8 HG2 DGN 8 36.369 17.097 23.826 56 HG3 DGN 8 HG1 DGN 8 34.690 17.436 23.541 57 HE21 DGN 8 1HE2 DGN 8 36.458 15.191 24.777 58 HE22 DGN 8 2HE2 DGN 8 35.488 13.754 24.553 Start of MODEL 5 1 H1 ASP 1 HN ASP 1 37.540 20.116 22.860 2 HA ASP 1 HA ASP 1 35.102 21.199 24.098 3 HB2 ASP 1 HB2 ASP 1 37.783 21.818 25.213 4 HB3 ASP 1 HB1 ASP 1 36.143 21.986 25.961 5 H ASP 2 HN ASP 2 36.879 22.070 21.535 6 HA ASP 2 HA ASP 2 35.871 24.802 21.739 7 HB2 ASP 2 HB2 ASP 2 38.184 24.538 21.266 8 HB3 ASP 2 HB1 ASP 2 37.806 23.645 19.827 9 HA PRO 3 HA PRO 3 32.555 23.519 18.715 10 HB2 PRO 3 HB2 PRO 3 32.805 26.345 17.779 11 HB3 PRO 3 HB1 PRO 3 31.475 25.160 18.196 12 HG2 PRO 3 HG2 PRO 3 32.208 27.122 20.046 13 HG3 PRO 3 HG1 PRO 3 31.796 25.400 20.475 14 HD2 PRO 3 HD2 PRO 3 34.537 26.573 20.156 15 HD3 PRO 3 HD1 PRO 3 33.810 25.618 21.417 16 H THR 4 HN THR 4 35.454 25.021 17.568 17 HA THR 4 HA THR 4 34.654 25.174 14.870 18 HB THR 4 HB THR 4 37.317 25.477 16.395 19 HG1 THR 4 HG1 THR 4 35.998 26.983 16.633 20 HG21 THR 4 1HG2 THR 4 37.014 26.231 13.499 21 HG22 THR 4 2HG2 THR 4 37.952 24.799 14.051 22 HG23 THR 4 3HG2 THR 4 38.445 26.451 14.548 23 HA DPR 5 HA DPR 5 36.519 21.587 13.026 24 HB2 DPR 5 HB2 DPR 5 35.280 21.583 11.289 25 HB3 DPR 5 HB1 DPR 5 34.275 20.268 11.964 26 HG2 DPR 5 HG2 DPR 5 33.063 22.513 11.411 27 HG3 DPR 5 HG1 DPR 5 32.849 21.602 12.979 28 HD2 DPR 5 HD2 DPR 5 34.422 24.145 12.457 29 HD3 DPR 5 HD1 DPR 5 33.247 23.815 13.761 30 H DAR 6 HN DAR 6 34.162 21.595 15.656 31 HA DAR 6 HA DAR 6 34.094 18.749 15.871 32 HB2 DAR 6 HB2 DAR 6 33.510 20.812 18.017 33 HB3 DAR 6 HB1 DAR 6 32.271 20.220 16.913 34 HG2 DAR 6 HG2 DAR 6 32.326 18.087 17.921 35 HG3 DAR 6 HG1 DAR 6 33.681 18.571 18.986 36 HD2 DAR 6 HD2 DAR 6 31.016 19.928 19.065 37 HD3 DAR 6 HD1 DAR 6 31.421 18.578 20.121 38 HE DAR 6 HE DAR 6 33.364 20.149 20.856 39 HH11 DAR 6 1HH1 DAR 6 33.708 22.000 21.616 40 HH12 DAR 6 2HH1 DAR 6 32.393 23.082 22.201 41 HH21 DAR 6 1HH2 DAR 6 30.069 21.315 20.263 42 HH22 DAR 6 2HH2 DAR 6 30.314 22.771 21.113 43 H GLN 7 HN GLN 7 36.359 21.159 16.983 44 HA GLN 7 HA GLN 7 38.181 19.314 17.911 45 HB2 GLN 7 HB2 GLN 7 38.126 22.352 17.870 46 HB3 GLN 7 HB1 GLN 7 39.369 21.449 18.745 47 HG2 GLN 7 HG2 GLN 7 40.067 20.269 16.765 48 HG3 GLN 7 HG1 GLN 7 38.758 20.815 15.803 49 HE21 GLN 7 1HE2 GLN 7 38.578 23.296 15.537 50 HE22 GLN 7 2HE2 GLN 7 39.995 24.246 15.562 51 H DGN 8 HN DGN 8 36.331 18.484 19.272 52 HA DGN 8 HA DGN 8 37.597 18.518 21.913 53 HB2 DGN 8 HB2 DGN 8 35.041 17.084 21.083 54 HB3 DGN 8 HB1 DGN 8 36.616 16.465 20.966 55 HG2 DGN 8 HG2 DGN 8 36.829 16.874 23.433 56 HG3 DGN 8 HG1 DGN 8 35.140 17.273 23.563 57 HE21 DGN 8 1HE2 DGN 8 36.361 15.138 24.956 58 HE22 DGN 8 2HE2 DGN 8 35.725 13.584 24.291 Start of MODEL 6 1 H1 ASP 1 HN ASP 1 37.489 20.545 22.858 2 HA ASP 1 HA ASP 1 35.065 21.513 24.351 3 HB2 ASP 1 HB2 ASP 1 37.910 22.494 24.486 4 HB3 ASP 1 HB1 ASP 1 36.681 22.884 25.668 5 H ASP 2 HN ASP 2 37.006 22.171 21.553 6 HA ASP 2 HA ASP 2 35.880 24.913 21.326 7 HB2 ASP 2 HB2 ASP 2 38.327 24.318 21.144 8 HB3 ASP 2 HB1 ASP 2 37.944 23.253 19.843 9 HA PRO 3 HA PRO 3 32.768 22.921 18.829 10 HB2 PRO 3 HB2 PRO 3 31.319 25.092 17.946 11 HB3 PRO 3 HB1 PRO 3 31.226 24.490 19.602 12 HG2 PRO 3 HG2 PRO 3 32.994 26.742 18.684 13 HG3 PRO 3 HG1 PRO 3 31.899 26.611 20.146 14 HD2 PRO 3 HD2 PRO 3 34.583 26.276 20.097 15 HD3 PRO 3 HD1 PRO 3 33.458 25.474 21.301 16 H THR 4 HN THR 4 35.136 25.324 17.669 17 HA THR 4 HA THR 4 34.727 25.522 14.943 18 HB THR 4 HB THR 4 37.439 25.207 16.157 19 HG1 THR 4 HG1 THR 4 36.679 26.874 17.273 20 HG21 THR 4 1HG2 THR 4 38.067 26.682 14.382 21 HG22 THR 4 2HG2 THR 4 36.414 26.716 13.795 22 HG23 THR 4 3HG2 THR 4 37.348 25.216 13.626 23 HA DPR 5 HA DPR 5 36.724 21.744 13.370 24 HB2 DPR 5 HB2 DPR 5 35.566 21.945 11.445 25 HB3 DPR 5 HB1 DPR 5 34.672 20.498 12.146 26 HG2 DPR 5 HG2 DPR 5 33.203 22.695 11.472 27 HG3 DPR 5 HG1 DPR 5 33.087 21.832 13.142 28 HD2 DPR 5 HD2 DPR 5 34.781 24.232 12.362 29 HD3 DPR 5 HD1 DPR 5 33.528 24.172 13.658 30 H DAR 6 HN DAR 6 34.132 21.629 15.711 31 HA DAR 6 HA DAR 6 34.056 18.717 16.009 32 HB2 DAR 6 HB2 DAR 6 33.619 21.029 17.813 33 HB3 DAR 6 HB1 DAR 6 32.324 20.451 16.798 34 HG2 DAR 6 HG2 DAR 6 32.341 18.314 18.005 35 HG3 DAR 6 HG1 DAR 6 33.784 18.889 18.929 36 HD2 DAR 6 HD2 DAR 6 31.135 20.225 18.892 37 HD3 DAR 6 HD1 DAR 6 31.493 19.020 20.138 38 HE DAR 6 HE DAR 6 33.539 20.852 20.352 39 HH11 DAR 6 1HH1 DAR 6 33.563 22.401 22.084 40 HH12 DAR 6 2HH1 DAR 6 32.011 22.865 22.740 41 HH21 DAR 6 1HH2 DAR 6 29.910 20.936 20.828 42 HH22 DAR 6 2HH2 DAR 6 30.053 22.029 22.099 43 H GLN 7 HN GLN 7 36.134 21.363 17.321 44 HA GLN 7 HA GLN 7 38.075 19.244 17.881 45 HB2 GLN 7 HB2 GLN 7 38.429 22.164 17.761 46 HB3 GLN 7 HB1 GLN 7 39.651 21.098 18.370 47 HG2 GLN 7 HG2 GLN 7 39.744 19.963 15.996 48 HG3 GLN 7 HG1 GLN 7 38.283 20.786 15.663 49 HE21 GLN 7 1HE2 GLN 7 38.462 23.215 15.450 50 HE22 GLN 7 2HE2 GLN 7 40.016 23.947 15.413 51 H DGN 8 HN DGN 8 36.193 18.620 19.549 52 HA DGN 8 HA DGN 8 37.544 18.728 22.055 53 HB2 DGN 8 HB2 DGN 8 34.852 17.592 21.119 54 HB3 DGN 8 HB1 DGN 8 36.329 16.724 21.064 55 HG2 DGN 8 HG2 DGN 8 36.553 16.707 23.444 56 HG3 DGN 8 HG1 DGN 8 35.057 17.873 23.571 57 HE21 DGN 8 1HE2 DGN 8 34.206 16.366 25.070 58 HE22 DGN 8 2HE2 DGN 8 33.290 15.007 24.386 Start of MODEL 7 1 H1 ASP 1 HN ASP 1 36.586 19.558 23.643 2 HA ASP 1 HA ASP 1 34.927 21.395 24.327 3 HB2 ASP 1 HB2 ASP 1 37.814 22.264 24.499 4 HB3 ASP 1 HB1 ASP 1 36.571 22.812 25.575 5 H ASP 2 HN ASP 2 37.213 22.352 21.659 6 HA ASP 2 HA ASP 2 36.117 24.916 21.462 7 HB2 ASP 2 HB2 ASP 2 38.472 24.294 21.145 8 HB3 ASP 2 HB1 ASP 2 38.024 23.342 19.701 9 HA PRO 3 HA PRO 3 33.040 22.947 19.004 10 HB2 PRO 3 HB2 PRO 3 31.821 25.261 17.738 11 HB3 PRO 3 HB1 PRO 3 31.322 24.230 19.136 12 HG2 PRO 3 HG2 PRO 3 32.576 26.987 19.074 13 HG3 PRO 3 HG1 PRO 3 31.674 26.166 20.379 14 HD2 PRO 3 HD2 PRO 3 34.534 26.312 20.441 15 HD3 PRO 3 HD1 PRO 3 33.389 25.330 21.316 16 H THR 4 HN THR 4 35.379 25.116 17.618 17 HA THR 4 HA THR 4 34.564 25.398 15.097 18 HB THR 4 HB THR 4 37.439 25.415 15.768 19 HG1 THR 4 HG1 THR 4 36.376 26.571 17.399 20 HG21 THR 4 1HG2 THR 4 37.289 27.510 14.224 21 HG22 THR 4 2HG2 THR 4 35.697 27.124 13.868 22 HG23 THR 4 3HG2 THR 4 36.946 25.967 13.443 23 HA DPR 5 HA DPR 5 36.476 21.675 13.074 24 HB2 DPR 5 HB2 DPR 5 35.196 22.205 11.246 25 HB3 DPR 5 HB1 DPR 5 34.291 20.769 11.785 26 HG2 DPR 5 HG2 DPR 5 32.956 22.964 11.356 27 HG3 DPR 5 HG1 DPR 5 32.593 22.152 12.857 28 HD2 DPR 5 HD2 DPR 5 34.624 24.464 12.528 29 HD3 DPR 5 HD1 DPR 5 33.343 24.270 13.697 30 H DAR 6 HN DAR 6 34.395 21.622 15.693 31 HA DAR 6 HA DAR 6 33.905 18.793 16.009 32 HB2 DAR 6 HB2 DAR 6 33.711 20.922 18.093 33 HB3 DAR 6 HB1 DAR 6 32.428 20.407 16.868 34 HG2 DAR 6 HG2 DAR 6 32.509 18.215 17.628 35 HG3 DAR 6 HG1 DAR 6 33.725 18.623 18.941 36 HD2 DAR 6 HD2 DAR 6 30.869 19.622 18.739 37 HD3 DAR 6 HD1 DAR 6 31.551 18.570 19.892 38 HE DAR 6 HE DAR 6 33.069 20.307 20.697 39 HH11 DAR 6 1HH1 DAR 6 32.925 22.145 22.014 40 HH12 DAR 6 2HH1 DAR 6 31.517 23.151 21.762 41 HH21 DAR 6 1HH2 DAR 6 29.895 21.222 19.428 42 HH22 DAR 6 2HH2 DAR 6 29.734 22.576 20.500 43 H GLN 7 HN GLN 7 36.176 21.099 17.448 44 HA GLN 7 HA GLN 7 38.200 18.960 17.871 45 HB2 GLN 7 HB2 GLN 7 38.400 21.932 18.183 46 HB3 GLN 7 HB1 GLN 7 39.770 20.845 18.391 47 HG2 GLN 7 HG2 GLN 7 39.887 20.199 16.247 48 HG3 GLN 7 HG1 GLN 7 38.442 20.903 15.662 49 HE21 GLN 7 1HE2 GLN 7 38.640 23.067 14.781 50 HE22 GLN 7 2HE2 GLN 7 40.238 23.892 14.917 51 H DGN 8 HN DGN 8 36.413 18.271 19.478 52 HA DGN 8 HA DGN 8 37.588 18.685 22.015 53 HB2 DGN 8 HB2 DGN 8 34.682 17.507 21.685 54 HB3 DGN 8 HB1 DGN 8 36.255 16.675 21.110 55 HG2 DGN 8 HG2 DGN 8 37.066 16.718 23.327 56 HG3 DGN 8 HG1 DGN 8 35.579 17.396 23.929 57 HE21 DGN 8 1HE2 DGN 8 35.793 15.327 25.380 58 HE22 DGN 8 2HE2 DGN 8 35.493 13.795 24.621 Start of MODEL 8 1 H1 ASP 1 HN ASP 1 37.418 20.547 22.573 2 HA ASP 1 HA ASP 1 34.900 21.366 23.898 3 HB2 ASP 1 HB2 ASP 1 36.092 22.500 25.709 4 HB3 ASP 1 HB1 ASP 1 36.113 20.833 25.750 5 H ASP 2 HN ASP 2 36.985 22.146 21.433 6 HA ASP 2 HA ASP 2 35.989 24.938 21.338 7 HB2 ASP 2 HB2 ASP 2 38.386 24.724 20.997 8 HB3 ASP 2 HB1 ASP 2 38.160 23.481 19.783 9 HA PRO 3 HA PRO 3 33.019 22.787 18.590 10 HB2 PRO 3 HB2 PRO 3 31.344 24.620 18.044 11 HB3 PRO 3 HB1 PRO 3 31.350 24.006 19.736 12 HG2 PRO 3 HG2 PRO 3 32.707 26.520 18.499 13 HG3 PRO 3 HG1 PRO 3 31.875 26.485 19.977 14 HD2 PRO 3 HD2 PRO 3 34.497 26.199 20.208 15 HD3 PRO 3 HD1 PRO 3 33.410 25.254 21.257 16 H THR 4 HN THR 4 35.290 25.298 17.532 17 HA THR 4 HA THR 4 34.571 25.491 14.968 18 HB THR 4 HB THR 4 37.439 25.502 15.895 19 HG1 THR 4 HG1 THR 4 36.268 26.781 17.217 20 HG21 THR 4 1HG2 THR 4 37.332 27.505 14.277 21 HG22 THR 4 2HG2 THR 4 35.905 26.621 13.532 22 HG23 THR 4 3HG2 THR 4 37.513 25.902 13.515 23 HA DPR 5 HA DPR 5 36.627 21.865 13.332 24 HB2 DPR 5 HB2 DPR 5 35.389 22.081 11.372 25 HB3 DPR 5 HB1 DPR 5 34.621 20.548 11.920 26 HG2 DPR 5 HG2 DPR 5 33.002 22.628 11.602 27 HG3 DPR 5 HG1 DPR 5 32.980 21.667 13.225 28 HD2 DPR 5 HD2 DPR 5 34.354 24.242 12.579 29 HD3 DPR 5 HD1 DPR 5 33.260 23.799 14.040 30 H DAR 6 HN DAR 6 34.070 21.653 15.526 31 HA DAR 6 HA DAR 6 33.827 18.904 15.943 32 HB2 DAR 6 HB2 DAR 6 33.906 20.893 18.096 33 HB3 DAR 6 HB1 DAR 6 32.426 20.761 17.004 34 HG2 DAR 6 HG2 DAR 6 31.920 18.630 17.826 35 HG3 DAR 6 HG1 DAR 6 33.326 18.791 19.001 36 HD2 DAR 6 HD2 DAR 6 30.978 20.609 18.831 37 HD3 DAR 6 HD1 DAR 6 30.940 19.174 19.793 38 HE DAR 6 HE DAR 6 33.307 20.161 20.683 39 HH11 DAR 6 1HH1 DAR 6 33.001 20.665 22.926 40 HH12 DAR 6 2HH1 DAR 6 32.092 22.155 23.232 41 HH21 DAR 6 1HH2 DAR 6 30.104 21.746 20.386 42 HH22 DAR 6 2HH2 DAR 6 30.147 22.497 21.930 43 H GLN 7 HN GLN 7 36.078 21.105 17.490 44 HA GLN 7 HA GLN 7 37.995 18.836 17.914 45 HB2 GLN 7 HB2 GLN 7 38.506 21.837 17.903 46 HB3 GLN 7 HB1 GLN 7 39.686 20.625 18.206 47 HG2 GLN 7 HG2 GLN 7 39.494 19.699 15.965 48 HG3 GLN 7 HG1 GLN 7 38.050 20.640 15.619 49 HE21 GLN 7 1HE2 GLN 7 38.530 23.098 16.147 50 HE22 GLN 7 2HE2 GLN 7 40.006 23.812 15.392 51 H DGN 8 HN DGN 8 36.549 18.164 19.580 52 HA DGN 8 HA DGN 8 37.700 18.678 22.036 53 HB2 DGN 8 HB2 DGN 8 36.062 17.120 22.943 54 HB3 DGN 8 HB1 DGN 8 35.142 17.115 21.418 55 HG2 DGN 8 HG2 DGN 8 36.951 15.836 20.290 56 HG3 DGN 8 HG1 DGN 8 38.071 16.280 21.518 57 HE21 DGN 8 1HE2 DGN 8 38.093 13.723 20.978 58 HE22 DGN 8 2HE2 DGN 8 37.186 12.767 22.135 Start of MODEL 9 1 H1 ASP 1 HN ASP 1 36.963 20.640 22.139 2 HA ASP 1 HA ASP 1 35.116 21.289 24.142 3 HB2 ASP 1 HB2 ASP 1 36.506 22.961 25.529 4 HB3 ASP 1 HB1 ASP 1 36.739 21.190 25.798 5 H ASP 2 HN ASP 2 37.428 22.513 21.697 6 HA ASP 2 HA ASP 2 36.099 24.953 21.215 7 HB2 ASP 2 HB2 ASP 2 38.512 24.344 20.651 8 HB3 ASP 2 HB1 ASP 2 37.874 23.067 19.572 9 HA PRO 3 HA PRO 3 32.737 23.013 18.914 10 HB2 PRO 3 HB2 PRO 3 31.546 25.318 18.044 11 HB3 PRO 3 HB1 PRO 3 31.121 24.624 19.602 12 HG2 PRO 3 HG2 PRO 3 32.889 26.916 18.931 13 HG3 PRO 3 HG1 PRO 3 32.145 26.499 20.619 14 HD2 PRO 3 HD2 PRO 3 34.649 26.452 19.888 15 HD3 PRO 3 HD1 PRO 3 34.013 25.673 21.308 16 H THR 4 HN THR 4 35.182 25.233 17.632 17 HA THR 4 HA THR 4 34.453 25.230 14.935 18 HB THR 4 HB THR 4 37.293 25.627 15.751 19 HG1 THR 4 HG1 THR 4 36.375 26.604 17.209 20 HG21 THR 4 1HG2 THR 4 35.703 26.949 13.639 21 HG22 THR 4 2HG2 THR 4 36.977 25.680 13.486 22 HG23 THR 4 3HG2 THR 4 37.444 27.156 14.093 23 HA DPR 5 HA DPR 5 36.964 21.702 13.748 24 HB2 DPR 5 HB2 DPR 5 36.154 22.217 11.479 25 HB3 DPR 5 HB1 DPR 5 35.420 20.554 11.834 26 HG2 DPR 5 HG2 DPR 5 33.860 22.592 11.116 27 HG3 DPR 5 HG1 DPR 5 33.437 21.742 12.658 28 HD2 DPR 5 HD2 DPR 5 35.001 24.378 12.433 29 HD3 DPR 5 HD1 DPR 5 33.558 23.958 13.402 30 H DAR 6 HN DAR 6 34.058 21.546 15.572 31 HA DAR 6 HA DAR 6 33.852 18.715 15.877 32 HB2 DAR 6 HB2 DAR 6 33.601 21.091 17.794 33 HB3 DAR 6 HB1 DAR 6 32.284 20.470 16.654 34 HG2 DAR 6 HG2 DAR 6 32.330 18.379 17.851 35 HG3 DAR 6 HG1 DAR 6 33.608 18.953 18.899 36 HD2 DAR 6 HD2 DAR 6 30.936 20.460 18.966 37 HD3 DAR 6 HD1 DAR 6 31.306 18.956 19.842 38 HE DAR 6 HE DAR 6 33.413 20.624 20.353 39 HH11 DAR 6 1HH1 DAR 6 33.480 22.037 22.013 40 HH12 DAR 6 2HH1 DAR 6 32.230 23.027 22.614 41 HH21 DAR 6 1HH2 DAR 6 29.861 20.907 20.827 42 HH22 DAR 6 2HH2 DAR 6 30.076 22.225 21.969 43 H GLN 7 HN GLN 7 36.141 21.138 17.278 44 HA GLN 7 HA GLN 7 37.883 18.831 17.824 45 HB2 GLN 7 HB2 GLN 7 38.238 21.825 17.750 46 HB3 GLN 7 HB1 GLN 7 39.558 20.735 18.267 47 HG2 GLN 7 HG2 GLN 7 38.282 20.367 15.638 48 HG3 GLN 7 HG1 GLN 7 39.648 21.422 15.912 49 HE21 GLN 7 1HE2 GLN 7 39.675 18.759 14.254 50 HE22 GLN 7 2HE2 GLN 7 40.324 17.531 15.266 51 H DGN 8 HN DGN 8 36.020 18.516 19.448 52 HA DGN 8 HA DGN 8 37.690 18.578 21.892 53 HB2 DGN 8 HB2 DGN 8 35.939 17.161 22.920 54 HB3 DGN 8 HB1 DGN 8 34.997 17.208 21.476 55 HG2 DGN 8 HG2 DGN 8 36.489 16.164 20.141 56 HG3 DGN 8 HG1 DGN 8 37.865 16.475 21.216 57 HE21 DGN 8 1HE2 DGN 8 35.999 13.990 20.210 58 HE22 DGN 8 2HE2 DGN 8 36.093 13.000 21.745 Start of MODEL 10 1 H1 ASP 1 HN ASP 1 37.412 20.454 22.758 2 HA ASP 1 HA ASP 1 35.331 21.460 24.622 3 HB2 ASP 1 HB2 ASP 1 37.214 22.952 25.461 4 HB3 ASP 1 HB1 ASP 1 37.510 21.260 25.715 5 H ASP 2 HN ASP 2 36.980 22.318 21.538 6 HA ASP 2 HA ASP 2 35.520 24.920 21.502 7 HB2 ASP 2 HB2 ASP 2 38.041 25.047 21.290 8 HB3 ASP 2 HB1 ASP 2 37.878 24.078 19.854 9 HA PRO 3 HA PRO 3 32.910 22.740 18.619 10 HB2 PRO 3 HB2 PRO 3 31.345 24.723 17.708 11 HB3 PRO 3 HB1 PRO 3 31.209 23.959 19.245 12 HG2 PRO 3 HG2 PRO 3 32.701 26.558 18.671 13 HG3 PRO 3 HG1 PRO 3 31.444 26.371 19.958 14 HD2 PRO 3 HD2 PRO 3 34.008 26.058 20.601 15 HD3 PRO 3 HD1 PRO 3 32.803 24.873 21.179 16 H THR 4 HN THR 4 35.110 25.251 17.723 17 HA THR 4 HA THR 4 34.720 25.405 14.992 18 HB THR 4 HB THR 4 37.452 25.253 16.293 19 HG1 THR 4 HG1 THR 4 36.229 26.697 17.414 20 HG21 THR 4 1HG2 THR 4 37.955 26.978 14.483 21 HG22 THR 4 2HG2 THR 4 36.433 26.559 13.753 22 HG23 THR 4 3HG2 THR 4 37.615 25.333 13.919 23 HA DPR 5 HA DPR 5 36.567 21.892 13.083 24 HB2 DPR 5 HB2 DPR 5 35.283 22.074 11.325 25 HB3 DPR 5 HB1 DPR 5 34.232 20.675 11.992 26 HG2 DPR 5 HG2 DPR 5 33.277 23.058 11.325 27 HG3 DPR 5 HG1 DPR 5 32.763 22.327 12.903 28 HD2 DPR 5 HD2 DPR 5 34.853 24.556 12.519 29 HD3 DPR 5 HD1 DPR 5 33.532 24.369 13.697 30 H DAR 6 HN DAR 6 34.175 21.609 15.590 31 HA DAR 6 HA DAR 6 34.097 18.766 15.923 32 HB2 DAR 6 HB2 DAR 6 33.725 20.815 18.092 33 HB3 DAR 6 HB1 DAR 6 32.528 20.557 16.742 34 HG2 DAR 6 HG2 DAR 6 32.082 18.268 17.595 35 HG3 DAR 6 HG1 DAR 6 33.417 18.451 18.687 36 HD2 DAR 6 HD2 DAR 6 30.976 20.090 18.796 37 HD3 DAR 6 HD1 DAR 6 31.333 18.593 19.751 38 HE DAR 6 HE DAR 6 33.335 20.159 20.527 39 HH11 DAR 6 1HH1 DAR 6 33.436 21.952 21.836 40 HH12 DAR 6 2HH1 DAR 6 31.995 22.727 22.451 41 HH21 DAR 6 1HH2 DAR 6 29.832 20.644 20.738 42 HH22 DAR 6 2HH2 DAR 6 30.031 22.257 21.323 43 H GLN 7 HN GLN 7 36.248 21.248 17.289 44 HA GLN 7 HA GLN 7 38.317 19.333 18.122 45 HB2 GLN 7 HB2 GLN 7 38.144 22.399 18.009 46 HB3 GLN 7 HB1 GLN 7 39.459 21.574 18.674 47 HG2 GLN 7 HG2 GLN 7 39.958 20.313 16.638 48 HG3 GLN 7 HG1 GLN 7 38.644 21.017 15.843 49 HE21 GLN 7 1HE2 GLN 7 41.711 21.511 17.216 50 HE22 GLN 7 2HE2 GLN 7 42.176 22.997 16.425 51 H DGN 8 HN DGN 8 36.061 18.607 19.502 52 HA DGN 8 HA DGN 8 37.448 18.751 21.812 53 HB2 DGN 8 HB2 DGN 8 34.593 17.571 21.365 54 HB3 DGN 8 HB1 DGN 8 36.098 16.897 20.942 55 HG2 DGN 8 HG2 DGN 8 35.629 17.614 23.843 56 HG3 DGN 8 HG1 DGN 8 34.877 16.124 23.185 57 HE21 DGN 8 1HE2 DGN 8 36.321 15.353 25.080 58 HE22 DGN 8 2HE2 DGN 8 37.973 14.990 24.647 Start of MODEL 11 1 H1 ASP 1 HN ASP 1 37.527 20.420 23.028 2 HA ASP 1 HA ASP 1 35.284 21.588 24.551 3 HB2 ASP 1 HB2 ASP 1 38.134 22.652 24.304 4 HB3 ASP 1 HB1 ASP 1 36.984 23.078 25.470 5 H ASP 2 HN ASP 2 37.376 22.498 21.668 6 HA ASP 2 HA ASP 2 35.752 24.890 21.481 7 HB2 ASP 2 HB2 ASP 2 38.260 24.944 21.008 8 HB3 ASP 2 HB1 ASP 2 37.961 23.837 19.727 9 HA PRO 3 HA PRO 3 32.729 22.863 18.866 10 HB2 PRO 3 HB2 PRO 3 31.467 24.933 17.776 11 HB3 PRO 3 HB1 PRO 3 31.231 24.398 19.485 12 HG2 PRO 3 HG2 PRO 3 33.021 26.587 18.587 13 HG3 PRO 3 HG1 PRO 3 31.875 26.762 19.875 14 HD2 PRO 3 HD2 PRO 3 34.386 26.256 20.388 15 HD3 PRO 3 HD1 PRO 3 33.177 25.164 21.276 16 H THR 4 HN THR 4 35.152 25.033 17.814 17 HA THR 4 HA THR 4 34.391 25.214 15.098 18 HB THR 4 HB THR 4 37.249 25.383 15.907 19 HG1 THR 4 HG1 THR 4 36.137 26.764 17.350 20 HG21 THR 4 1HG2 THR 4 37.418 27.186 14.326 21 HG22 THR 4 2HG2 THR 4 35.704 26.959 13.861 22 HG23 THR 4 3HG2 THR 4 36.839 25.643 13.538 23 HA DPR 5 HA DPR 5 36.754 21.840 13.169 24 HB2 DPR 5 HB2 DPR 5 35.627 22.006 11.304 25 HB3 DPR 5 HB1 DPR 5 34.680 20.632 11.945 26 HG2 DPR 5 HG2 DPR 5 33.489 23.069 11.185 27 HG3 DPR 5 HG1 DPR 5 32.890 21.981 12.480 28 HD2 DPR 5 HD2 DPR 5 34.367 24.504 12.892 29 HD3 DPR 5 HD1 DPR 5 33.208 23.564 13.950 30 H DAR 6 HN DAR 6 34.305 21.732 15.605 31 HA DAR 6 HA DAR 6 34.052 18.944 15.809 32 HB2 DAR 6 HB2 DAR 6 33.880 20.924 18.051 33 HB3 DAR 6 HB1 DAR 6 32.620 20.751 16.784 34 HG2 DAR 6 HG2 DAR 6 32.353 18.365 17.422 35 HG3 DAR 6 HG1 DAR 6 33.493 18.469 18.635 36 HD2 DAR 6 HD2 DAR 6 31.105 20.365 18.683 37 HD3 DAR 6 HD1 DAR 6 31.135 18.786 19.476 38 HE DAR 6 HE DAR 6 33.218 19.976 20.671 39 HH11 DAR 6 1HH1 DAR 6 33.224 21.408 22.257 40 HH12 DAR 6 2HH1 DAR 6 31.909 22.530 22.678 41 HH21 DAR 6 1HH2 DAR 6 30.124 21.422 19.855 42 HH22 DAR 6 2HH2 DAR 6 30.141 22.500 21.290 43 H GLN 7 HN GLN 7 36.074 21.204 17.476 44 HA GLN 7 HA GLN 7 38.121 19.112 18.064 45 HB2 GLN 7 HB2 GLN 7 38.228 22.137 18.056 46 HB3 GLN 7 HB1 GLN 7 39.579 21.198 18.680 47 HG2 GLN 7 HG2 GLN 7 39.860 19.966 16.654 48 HG3 GLN 7 HG1 GLN 7 38.328 20.689 15.986 49 HE21 GLN 7 1HE2 GLN 7 40.367 20.915 14.211 50 HE22 GLN 7 2HE2 GLN 7 40.891 22.530 14.072 51 H DGN 8 HN DGN 8 36.272 18.287 19.545 52 HA DGN 8 HA DGN 8 37.297 18.473 22.137 53 HB2 DGN 8 HB2 DGN 8 34.660 17.316 21.103 54 HB3 DGN 8 HB1 DGN 8 36.175 16.620 21.439 55 HG2 DGN 8 HG2 DGN 8 36.064 16.815 23.676 56 HG3 DGN 8 HG1 DGN 8 34.701 17.987 23.682 57 HE21 DGN 8 1HE2 DGN 8 32.626 17.376 22.467 58 HE22 DGN 8 2HE2 DGN 8 32.155 15.725 22.820 Start of MODEL 12 1 H1 ASP 1 HN ASP 1 37.813 20.463 22.915 2 HA ASP 1 HA ASP 1 35.588 21.299 24.450 3 HB2 ASP 1 HB2 ASP 1 38.126 22.906 24.066 4 HB3 ASP 1 HB1 ASP 1 37.206 22.672 25.615 5 H ASP 2 HN ASP 2 36.717 22.017 21.417 6 HA ASP 2 HA ASP 2 35.482 24.610 21.484 7 HB2 ASP 2 HB2 ASP 2 37.967 24.604 21.157 8 HB3 ASP 2 HB1 ASP 2 37.683 23.567 19.728 9 HA PRO 3 HA PRO 3 32.631 22.912 18.429 10 HB2 PRO 3 HB2 PRO 3 31.952 25.713 17.879 11 HB3 PRO 3 HB1 PRO 3 30.915 24.296 18.053 12 HG2 PRO 3 HG2 PRO 3 31.335 26.001 20.314 13 HG3 PRO 3 HG1 PRO 3 31.342 24.250 20.451 14 HD2 PRO 3 HD2 PRO 3 33.779 26.064 20.188 15 HD3 PRO 3 HD1 PRO 3 33.504 24.747 21.346 16 H THR 4 HN THR 4 35.405 24.927 17.766 17 HA THR 4 HA THR 4 34.869 25.437 15.059 18 HB THR 4 HB THR 4 37.675 25.341 16.260 19 HG1 THR 4 HG1 THR 4 36.589 26.614 17.430 20 HG21 THR 4 1HG2 THR 4 37.750 25.440 13.883 21 HG22 THR 4 2HG2 THR 4 37.887 27.122 14.472 22 HG23 THR 4 3HG2 THR 4 36.285 26.540 13.885 23 HA DPR 5 HA DPR 5 36.642 21.575 13.145 24 HB2 DPR 5 HB2 DPR 5 35.610 21.871 11.409 25 HB3 DPR 5 HB1 DPR 5 34.377 20.696 12.053 26 HG2 DPR 5 HG2 DPR 5 33.580 23.206 11.249 27 HG3 DPR 5 HG1 DPR 5 33.002 22.466 12.759 28 HD2 DPR 5 HD2 DPR 5 35.162 24.444 12.423 29 HD3 DPR 5 HD1 DPR 5 33.719 24.452 13.535 30 H DAR 6 HN DAR 6 34.221 21.716 15.561 31 HA DAR 6 HA DAR 6 33.699 18.963 16.036 32 HB2 DAR 6 HB2 DAR 6 33.541 21.127 18.041 33 HB3 DAR 6 HB1 DAR 6 32.236 20.575 16.994 34 HG2 DAR 6 HG2 DAR 6 32.138 18.517 17.916 35 HG3 DAR 6 HG1 DAR 6 33.492 18.687 19.052 36 HD2 DAR 6 HD2 DAR 6 30.955 20.391 19.171 37 HD3 DAR 6 HD1 DAR 6 31.204 18.930 19.949 38 HE DAR 6 HE DAR 6 33.353 20.053 20.955 39 HH11 DAR 6 1HH1 DAR 6 33.453 21.402 22.727 40 HH12 DAR 6 2HH1 DAR 6 32.182 22.389 23.264 41 HH21 DAR 6 1HH2 DAR 6 29.951 21.133 20.862 42 HH22 DAR 6 2HH2 DAR 6 30.193 22.359 22.025 43 H GLN 7 HN GLN 7 36.101 21.197 17.379 44 HA GLN 7 HA GLN 7 37.950 18.946 17.720 45 HB2 GLN 7 HB2 GLN 7 38.252 21.930 17.723 46 HB3 GLN 7 HB1 GLN 7 39.567 21.016 18.421 47 HG2 GLN 7 HG2 GLN 7 39.735 19.859 16.143 48 HG3 GLN 7 HG1 GLN 7 38.453 20.961 15.666 49 HE21 GLN 7 1HE2 GLN 7 38.669 23.113 15.700 50 HE22 GLN 7 2HE2 GLN 7 40.190 23.976 15.838 51 H DGN 8 HN DGN 8 36.127 18.387 19.496 52 HA DGN 8 HA DGN 8 37.621 18.562 21.960 53 HB2 DGN 8 HB2 DGN 8 34.979 17.291 21.203 54 HB3 DGN 8 HB1 DGN 8 36.570 16.529 21.309 55 HG2 DGN 8 HG2 DGN 8 36.592 16.722 23.710 56 HG3 DGN 8 HG1 DGN 8 35.088 17.555 23.758 57 HE21 DGN 8 1HE2 DGN 8 35.585 15.187 25.151 58 HE22 DGN 8 2HE2 DGN 8 34.491 13.974 24.444 Start of MODEL 13 1 H1 ASP 1 HN ASP 1 37.298 20.489 22.933 2 HA ASP 1 HA ASP 1 34.532 21.058 23.832 3 HB2 ASP 1 HB2 ASP 1 36.839 22.508 25.049 4 HB3 ASP 1 HB1 ASP 1 35.162 22.551 25.540 5 H ASP 2 HN ASP 2 37.193 22.284 21.826 6 HA ASP 2 HA ASP 2 36.182 24.951 21.489 7 HB2 ASP 2 HB2 ASP 2 38.493 24.653 21.172 8 HB3 ASP 2 HB1 ASP 2 38.166 23.369 19.918 9 HA PRO 3 HA PRO 3 32.889 23.176 18.728 10 HB2 PRO 3 HB2 PRO 3 32.413 25.858 17.848 11 HB3 PRO 3 HB1 PRO 3 31.267 24.753 18.556 12 HG2 PRO 3 HG2 PRO 3 32.372 26.896 19.941 13 HG3 PRO 3 HG1 PRO 3 31.681 25.392 20.737 14 HD2 PRO 3 HD2 PRO 3 34.473 26.359 20.203 15 HD3 PRO 3 HD1 PRO 3 33.916 25.250 21.502 16 H THR 4 HN THR 4 35.400 25.011 17.632 17 HA THR 4 HA THR 4 34.792 25.302 14.813 18 HB THR 4 HB THR 4 37.552 24.999 15.884 19 HG1 THR 4 HG1 THR 4 36.649 26.355 17.246 20 HG21 THR 4 1HG2 THR 4 36.096 26.635 13.642 21 HG22 THR 4 2HG2 THR 4 37.235 25.375 13.385 22 HG23 THR 4 3HG2 THR 4 37.775 26.915 14.116 23 HA DPR 5 HA DPR 5 36.197 21.560 12.971 24 HB2 DPR 5 HB2 DPR 5 34.822 21.744 11.137 25 HB3 DPR 5 HB1 DPR 5 33.690 20.696 12.000 26 HG2 DPR 5 HG2 DPR 5 32.979 23.274 11.331 27 HG3 DPR 5 HG1 DPR 5 32.546 22.340 12.906 28 HD2 DPR 5 HD2 DPR 5 34.697 24.391 12.355 29 HD3 DPR 5 HD1 DPR 5 33.476 24.436 13.621 30 H DAR 6 HN DAR 6 34.271 21.633 15.731 31 HA DAR 6 HA DAR 6 34.059 18.843 16.206 32 HB2 DAR 6 HB2 DAR 6 33.824 21.007 18.191 33 HB3 DAR 6 HB1 DAR 6 32.420 20.482 17.129 34 HG2 DAR 6 HG2 DAR 6 32.602 18.257 18.053 35 HG3 DAR 6 HG1 DAR 6 33.964 18.635 19.028 36 HD2 DAR 6 HD2 DAR 6 31.188 19.854 19.126 37 HD3 DAR 6 HD1 DAR 6 31.690 18.692 20.257 38 HE DAR 6 HE DAR 6 33.509 20.536 20.913 39 HH11 DAR 6 1HH1 DAR 6 33.153 22.504 22.209 40 HH12 DAR 6 2HH1 DAR 6 31.533 22.684 22.835 41 HH21 DAR 6 1HH2 DAR 6 30.219 20.109 21.050 42 HH22 DAR 6 2HH2 DAR 6 29.866 21.519 22.127 43 H GLN 7 HN GLN 7 36.320 21.211 17.364 44 HA GLN 7 HA GLN 7 38.293 19.021 17.827 45 HB2 GLN 7 HB2 GLN 7 38.424 22.058 17.700 46 HB3 GLN 7 HB1 GLN 7 39.768 21.035 18.392 47 HG2 GLN 7 HG2 GLN 7 40.275 20.008 16.530 48 HG3 GLN 7 HG1 GLN 7 38.721 20.207 15.749 49 HE21 GLN 7 1HE2 GLN 7 38.203 22.523 15.024 50 HE22 GLN 7 2HE2 GLN 7 39.591 23.488 14.398 51 H DGN 8 HN DGN 8 36.538 18.361 19.517 52 HA DGN 8 HA DGN 8 37.831 18.660 22.044 53 HB2 DGN 8 HB2 DGN 8 35.294 17.243 21.249 54 HB3 DGN 8 HB1 DGN 8 36.830 16.570 21.174 55 HG2 DGN 8 HG2 DGN 8 37.104 16.747 23.682 56 HG3 DGN 8 HG1 DGN 8 35.418 17.383 23.699 57 HE21 DGN 8 1HE2 DGN 8 35.609 15.577 25.377 58 HE22 DGN 8 2HE2 DGN 8 35.325 13.928 24.852 Start of MODEL 14 1 H1 ASP 1 HN ASP 1 37.467 20.414 23.183 2 HA ASP 1 HA ASP 1 34.819 21.283 24.215 3 HB2 ASP 1 HB2 ASP 1 36.016 22.875 25.498 4 HB3 ASP 1 HB1 ASP 1 36.435 21.346 25.933 5 H ASP 2 HN ASP 2 37.037 22.163 21.767 6 HA ASP 2 HA ASP 2 35.948 25.002 21.340 7 HB2 ASP 2 HB2 ASP 2 38.181 24.914 21.237 8 HB3 ASP 2 HB1 ASP 2 38.150 23.450 20.108 9 HA PRO 3 HA PRO 3 33.021 22.935 18.841 10 HB2 PRO 3 HB2 PRO 3 31.913 25.306 17.582 11 HB3 PRO 3 HB1 PRO 3 31.433 24.370 19.119 12 HG2 PRO 3 HG2 PRO 3 32.692 27.023 19.087 13 HG3 PRO 3 HG1 PRO 3 31.993 25.943 20.420 14 HD2 PRO 3 HD2 PRO 3 34.758 26.293 19.974 15 HD3 PRO 3 HD1 PRO 3 33.848 25.492 21.287 16 H THR 4 HN THR 4 35.580 25.011 17.565 17 HA THR 4 HA THR 4 34.795 25.371 14.967 18 HB THR 4 HB THR 4 37.590 25.161 16.039 19 HG1 THR 4 HG1 THR 4 36.653 26.568 17.292 20 HG21 THR 4 1HG2 THR 4 37.286 25.295 13.465 21 HG22 THR 4 2HG2 THR 4 38.157 26.638 14.248 22 HG23 THR 4 3HG2 THR 4 36.642 26.952 13.755 23 HA DPR 5 HA DPR 5 36.176 21.562 12.869 24 HB2 DPR 5 HB2 DPR 5 34.647 21.852 11.232 25 HB3 DPR 5 HB1 DPR 5 33.606 20.682 12.014 26 HG2 DPR 5 HG2 DPR 5 32.632 23.089 11.817 27 HG3 DPR 5 HG1 DPR 5 32.561 22.166 13.406 28 HD2 DPR 5 HD2 DPR 5 34.455 24.433 12.678 29 HD3 DPR 5 HD1 DPR 5 33.365 24.310 14.042 30 H DAR 6 HN DAR 6 33.966 21.515 15.734 31 HA DAR 6 HA DAR 6 34.019 18.792 16.084 32 HB2 DAR 6 HB2 DAR 6 33.899 21.019 18.060 33 HB3 DAR 6 HB1 DAR 6 32.499 20.527 17.160 34 HG2 DAR 6 HG2 DAR 6 32.504 18.299 18.337 35 HG3 DAR 6 HG1 DAR 6 33.889 18.917 19.214 36 HD2 DAR 6 HD2 DAR 6 31.048 19.993 19.209 37 HD3 DAR 6 HD1 DAR 6 31.638 18.805 20.349 38 HE DAR 6 HE DAR 6 33.362 20.545 20.983 39 HH11 DAR 6 1HH1 DAR 6 33.337 22.738 22.010 40 HH12 DAR 6 2HH1 DAR 6 31.733 23.561 22.000 41 HH21 DAR 6 1HH2 DAR 6 30.001 21.484 20.193 42 HH22 DAR 6 2HH2 DAR 6 30.071 22.837 21.294 43 H GLN 7 HN GLN 7 36.432 21.210 17.088 44 HA GLN 7 HA GLN 7 38.275 19.076 17.935 45 HB2 GLN 7 HB2 GLN 7 38.560 22.150 17.883 46 HB3 GLN 7 HB1 GLN 7 39.760 20.943 18.455 47 HG2 GLN 7 HG2 GLN 7 40.079 19.929 16.313 48 HG3 GLN 7 HG1 GLN 7 38.789 20.834 15.632 49 HE21 GLN 7 1HE2 GLN 7 38.796 23.063 15.450 50 HE22 GLN 7 2HE2 GLN 7 40.338 23.966 15.488 51 H DGN 8 HN DGN 8 36.495 18.348 19.427 52 HA DGN 8 HA DGN 8 37.494 18.484 22.045 53 HB2 DGN 8 HB2 DGN 8 34.753 17.525 21.150 54 HB3 DGN 8 HB1 DGN 8 36.275 16.600 20.977 55 HG2 DGN 8 HG2 DGN 8 36.711 16.761 23.275 56 HG3 DGN 8 HG1 DGN 8 35.251 17.481 23.779 57 HE21 DGN 8 1HE2 DGN 8 33.135 16.129 22.518 58 HE22 DGN 8 2HE2 DGN 8 33.237 14.457 22.896 Start of MODEL 15 1 H1 ASP 1 HN ASP 1 37.424 20.060 23.608 2 HA ASP 1 HA ASP 1 35.018 21.168 24.191 3 HB2 ASP 1 HB2 ASP 1 37.698 22.504 24.514 4 HB3 ASP 1 HB1 ASP 1 36.107 22.827 25.430 5 H ASP 2 HN ASP 2 36.955 22.051 21.576 6 HA ASP 2 HA ASP 2 35.685 24.746 21.329 7 HB2 ASP 2 HB2 ASP 2 38.181 24.673 21.206 8 HB3 ASP 2 HB1 ASP 2 37.919 23.613 19.763 9 HA PRO 3 HA PRO 3 32.603 23.086 18.506 10 HB2 PRO 3 HB2 PRO 3 31.704 25.296 17.518 11 HB3 PRO 3 HB1 PRO 3 31.356 24.596 19.224 12 HG2 PRO 3 HG2 PRO 3 33.441 26.768 18.434 13 HG3 PRO 3 HG1 PRO 3 32.135 26.955 19.648 14 HD2 PRO 3 HD2 PRO 3 34.576 26.156 20.301 15 HD3 PRO 3 HD1 PRO 3 33.161 25.369 21.081 16 H THR 4 HN THR 4 35.362 25.160 17.642 17 HA THR 4 HA THR 4 35.050 25.283 14.846 18 HB THR 4 HB THR 4 37.510 25.001 16.480 19 HG1 THR 4 HG1 THR 4 36.390 26.706 17.242 20 HG21 THR 4 1HG2 THR 4 38.660 26.360 14.730 21 HG22 THR 4 2HG2 THR 4 37.177 26.455 13.782 22 HG23 THR 4 3HG2 THR 4 38.065 24.881 13.995 23 HA DPR 5 HA DPR 5 36.435 21.630 13.243 24 HB2 DPR 5 HB2 DPR 5 35.030 21.867 11.375 25 HB3 DPR 5 HB1 DPR 5 33.995 20.675 12.209 26 HG2 DPR 5 HG2 DPR 5 32.868 23.186 11.651 27 HG3 DPR 5 HG1 DPR 5 32.569 22.445 13.156 28 HD2 DPR 5 HD2 DPR 5 34.744 24.379 12.436 29 HD3 DPR 5 HD1 DPR 5 33.647 24.425 13.871 30 H DAR 6 HN DAR 6 34.134 21.758 15.714 31 HA DAR 6 HA DAR 6 33.861 18.992 16.147 32 HB2 DAR 6 HB2 DAR 6 33.725 21.137 18.284 33 HB3 DAR 6 HB1 DAR 6 32.414 20.766 17.130 34 HG2 DAR 6 HG2 DAR 6 32.438 18.404 18.009 35 HG3 DAR 6 HG1 DAR 6 33.583 18.818 19.163 36 HD2 DAR 6 HD2 DAR 6 30.676 19.852 18.954 37 HD3 DAR 6 HD1 DAR 6 31.346 18.615 19.986 38 HE DAR 6 HE DAR 6 32.639 20.345 21.129 39 HH11 DAR 6 1HH1 DAR 6 32.227 22.357 22.375 40 HH12 DAR 6 2HH1 DAR 6 31.046 23.447 21.823 41 HH21 DAR 6 1HH2 DAR 6 29.912 21.637 19.101 42 HH22 DAR 6 2HH2 DAR 6 29.607 22.918 20.153 43 H GLN 7 HN GLN 7 36.255 21.343 17.333 44 HA GLN 7 HA GLN 7 38.097 19.117 17.760 45 HB2 GLN 7 HB2 GLN 7 38.292 22.031 17.711 46 HB3 GLN 7 HB1 GLN 7 39.637 21.025 18.437 47 HG2 GLN 7 HG2 GLN 7 39.937 20.000 16.325 48 HG3 GLN 7 HG1 GLN 7 38.616 20.871 15.534 49 HE21 GLN 7 1HE2 GLN 7 38.965 23.064 15.113 50 HE22 GLN 7 2HE2 GLN 7 40.504 23.916 15.278 51 H DGN 8 HN DGN 8 36.465 18.216 19.499 52 HA DGN 8 HA DGN 8 37.781 18.602 21.966 53 HB2 DGN 8 HB2 DGN 8 35.683 17.070 22.509 54 HB3 DGN 8 HB1 DGN 8 35.354 17.082 20.815 55 HG2 DGN 8 HG2 DGN 8 36.576 15.108 21.083 56 HG3 DGN 8 HG1 DGN 8 37.670 16.152 20.359 57 HE21 DGN 8 1HE2 DGN 8 36.983 14.528 23.387 58 HE22 DGN 8 2HE2 DGN 8 38.573 15.002 24.104 Start of MODEL 16 1 H1 ASP 1 HN ASP 1 37.476 20.341 22.946 2 HA ASP 1 HA ASP 1 35.065 21.377 24.152 3 HB2 ASP 1 HB2 ASP 1 37.827 22.395 24.835 4 HB3 ASP 1 HB1 ASP 1 36.397 22.445 25.830 5 H ASP 2 HN ASP 2 36.970 22.257 21.423 6 HA ASP 2 HA ASP 2 35.654 24.888 21.561 7 HB2 ASP 2 HB2 ASP 2 38.124 24.731 21.363 8 HB3 ASP 2 HB1 ASP 2 38.075 23.968 19.840 9 HA PRO 3 HA PRO 3 32.815 23.028 18.769 10 HB2 PRO 3 HB2 PRO 3 31.627 25.319 17.687 11 HB3 PRO 3 HB1 PRO 3 31.347 24.699 19.357 12 HG2 PRO 3 HG2 PRO 3 33.356 26.781 18.434 13 HG3 PRO 3 HG1 PRO 3 32.102 26.922 19.724 14 HD2 PRO 3 HD2 PRO 3 34.638 26.327 20.448 15 HD3 PRO 3 HD1 PRO 3 33.248 25.478 21.195 16 H THR 4 HN THR 4 35.076 25.411 17.670 17 HA THR 4 HA THR 4 34.757 25.401 14.935 18 HB THR 4 HB THR 4 37.450 25.021 16.262 19 HG1 THR 4 HG1 THR 4 36.397 26.548 17.259 20 HG21 THR 4 1HG2 THR 4 37.629 24.906 13.811 21 HG22 THR 4 2HG2 THR 4 38.363 26.405 14.353 22 HG23 THR 4 3HG2 THR 4 36.765 26.457 13.739 23 HA DPR 5 HA DPR 5 36.756 21.742 13.343 24 HB2 DPR 5 HB2 DPR 5 35.396 21.968 11.343 25 HB3 DPR 5 HB1 DPR 5 34.650 20.533 12.041 26 HG2 DPR 5 HG2 DPR 5 33.164 22.762 11.616 27 HG3 DPR 5 HG1 DPR 5 32.930 21.862 13.091 28 HD2 DPR 5 HD2 DPR 5 34.450 24.479 12.735 29 HD3 DPR 5 HD1 DPR 5 33.438 24.039 14.037 30 H DAR 6 HN DAR 6 34.278 21.626 15.606 31 HA DAR 6 HA DAR 6 33.849 18.752 15.858 32 HB2 DAR 6 HB2 DAR 6 33.749 20.779 18.066 33 HB3 DAR 6 HB1 DAR 6 32.459 20.608 16.878 34 HG2 DAR 6 HG2 DAR 6 32.074 18.270 17.646 35 HG3 DAR 6 HG1 DAR 6 33.419 18.393 18.848 36 HD2 DAR 6 HD2 DAR 6 30.915 20.086 18.977 37 HD3 DAR 6 HD1 DAR 6 31.242 18.643 19.957 38 HE DAR 6 HE DAR 6 33.295 20.049 20.687 39 HH11 DAR 6 1HH1 DAR 6 33.530 21.641 21.994 40 HH12 DAR 6 2HH1 DAR 6 32.204 22.737 22.421 41 HH21 DAR 6 1HH2 DAR 6 30.046 21.417 19.973 42 HH22 DAR 6 2HH2 DAR 6 30.343 22.707 21.101 43 H GLN 7 HN GLN 7 36.169 20.939 17.047 44 HA GLN 7 HA GLN 7 37.939 18.763 17.821 45 HB2 GLN 7 HB2 GLN 7 38.460 21.803 17.602 46 HB3 GLN 7 HB1 GLN 7 39.607 20.571 18.220 47 HG2 GLN 7 HG2 GLN 7 39.856 19.655 16.147 48 HG3 GLN 7 HG1 GLN 7 38.424 20.395 15.456 49 HE21 GLN 7 1HE2 GLN 7 38.663 23.120 15.735 50 HE22 GLN 7 2HE2 GLN 7 40.172 23.661 15.079 51 H DGN 8 HN DGN 8 36.448 18.134 19.559 52 HA DGN 8 HA DGN 8 37.696 18.747 21.977 53 HB2 DGN 8 HB2 DGN 8 35.968 17.117 22.922 54 HB3 DGN 8 HB1 DGN 8 35.250 16.983 21.275 55 HG2 DGN 8 HG2 DGN 8 38.121 16.632 21.301 56 HG3 DGN 8 HG1 DGN 8 37.210 15.454 22.269 57 HE21 DGN 8 1HE2 DGN 8 38.524 14.190 20.349 58 HE22 DGN 8 2HE2 DGN 8 37.662 14.128 18.802 Start of MODEL 17 1 H1 ASP 1 HN ASP 1 37.472 20.326 23.392 2 HA ASP 1 HA ASP 1 34.930 21.502 24.243 3 HB2 ASP 1 HB2 ASP 1 37.124 21.145 25.671 4 HB3 ASP 1 HB1 ASP 1 37.867 22.278 24.636 5 H ASP 2 HN ASP 2 37.206 22.307 21.760 6 HA ASP 2 HA ASP 2 36.087 24.955 21.417 7 HB2 ASP 2 HB2 ASP 2 38.436 24.903 20.902 8 HB3 ASP 2 HB1 ASP 2 38.154 23.619 19.815 9 HA PRO 3 HA PRO 3 32.825 22.950 19.027 10 HB2 PRO 3 HB2 PRO 3 31.641 25.188 17.926 11 HB3 PRO 3 HB1 PRO 3 31.334 24.641 19.597 12 HG2 PRO 3 HG2 PRO 3 33.533 26.601 18.604 13 HG3 PRO 3 HG1 PRO 3 32.208 26.859 19.867 14 HD2 PRO 3 HD2 PRO 3 34.583 26.192 20.616 15 HD3 PRO 3 HD1 PRO 3 33.200 25.191 21.269 16 H THR 4 HN THR 4 35.247 25.064 17.820 17 HA THR 4 HA THR 4 34.452 25.286 15.085 18 HB THR 4 HB THR 4 37.247 25.504 16.006 19 HG1 THR 4 HG1 THR 4 36.056 27.010 17.270 20 HG21 THR 4 1HG2 THR 4 37.478 27.029 14.358 21 HG22 THR 4 2HG2 THR 4 35.786 26.924 13.839 22 HG23 THR 4 3HG2 THR 4 36.809 25.552 13.532 23 HA DPR 5 HA DPR 5 36.712 21.799 13.087 24 HB2 DPR 5 HB2 DPR 5 35.537 22.167 11.277 25 HB3 DPR 5 HB1 DPR 5 34.671 20.666 11.733 26 HG2 DPR 5 HG2 DPR 5 33.353 22.936 11.328 27 HG3 DPR 5 HG1 DPR 5 32.841 21.726 12.640 28 HD2 DPR 5 HD2 DPR 5 34.491 24.284 12.549 29 HD3 DPR 5 HD1 DPR 5 33.210 23.909 13.752 30 H DAR 6 HN DAR 6 34.225 21.507 15.537 31 HA DAR 6 HA DAR 6 33.870 18.728 15.918 32 HB2 DAR 6 HB2 DAR 6 33.796 21.022 17.843 33 HB3 DAR 6 HB1 DAR 6 32.425 20.502 16.840 34 HG2 DAR 6 HG2 DAR 6 32.691 18.213 17.864 35 HG3 DAR 6 HG1 DAR 6 33.732 18.928 19.065 36 HD2 DAR 6 HD2 DAR 6 30.995 19.985 18.478 37 HD3 DAR 6 HD1 DAR 6 31.350 18.802 19.725 38 HE DAR 6 HE DAR 6 33.113 20.533 20.609 39 HH11 DAR 6 1HH1 DAR 6 33.046 22.377 22.043 40 HH12 DAR 6 2HH1 DAR 6 31.585 23.256 22.032 41 HH21 DAR 6 1HH2 DAR 6 29.783 21.442 19.808 42 HH22 DAR 6 2HH2 DAR 6 29.748 22.749 20.911 43 H GLN 7 HN GLN 7 36.416 21.007 17.262 44 HA GLN 7 HA GLN 7 38.165 18.781 17.312 45 HB2 GLN 7 HB2 GLN 7 38.116 21.675 18.264 46 HB3 GLN 7 HB1 GLN 7 39.563 20.730 18.745 47 HG2 GLN 7 HG2 GLN 7 40.131 20.263 16.502 48 HG3 GLN 7 HG1 GLN 7 38.645 20.988 15.879 49 HE21 GLN 7 1HE2 GLN 7 38.554 23.443 16.015 50 HE22 GLN 7 2HE2 GLN 7 40.011 24.327 16.460 51 H DGN 8 HN DGN 8 35.925 19.707 19.753 52 HA DGN 8 HA DGN 8 37.548 18.828 21.994 53 HB2 DGN 8 HB2 DGN 8 34.830 17.492 21.405 54 HB3 DGN 8 HB1 DGN 8 36.408 16.758 20.972 55 HG2 DGN 8 HG2 DGN 8 37.145 17.096 23.318 56 HG3 DGN 8 HG1 DGN 8 35.542 17.653 23.735 57 HE21 DGN 8 1HE2 DGN 8 36.566 15.374 24.848 58 HE22 DGN 8 2HE2 DGN 8 35.809 13.865 24.197 Start of MODEL 18 1 H1 ASP 1 HN ASP 1 37.475 20.390 22.616 2 HA ASP 1 HA ASP 1 35.244 21.371 24.343 3 HB2 ASP 1 HB2 ASP 1 38.280 22.195 24.239 4 HB3 ASP 1 HB1 ASP 1 37.100 22.914 25.273 5 H ASP 2 HN ASP 2 37.250 22.364 21.579 6 HA ASP 2 HA ASP 2 35.784 24.880 21.456 7 HB2 ASP 2 HB2 ASP 2 38.227 24.834 21.003 8 HB3 ASP 2 HB1 ASP 2 37.967 23.864 19.636 9 HA PRO 3 HA PRO 3 32.668 23.040 18.663 10 HB2 PRO 3 HB2 PRO 3 32.273 25.984 18.231 11 HB3 PRO 3 HB1 PRO 3 31.034 24.729 18.380 12 HG2 PRO 3 HG2 PRO 3 31.618 26.247 20.435 13 HG3 PRO 3 HG1 PRO 3 31.452 24.453 20.805 14 HD2 PRO 3 HD2 PRO 3 33.981 25.965 20.707 15 HD3 PRO 3 HD1 PRO 3 33.558 24.765 21.690 16 H THR 4 HN THR 4 35.382 25.080 17.712 17 HA THR 4 HA THR 4 34.835 25.230 14.897 18 HB THR 4 HB THR 4 37.537 25.205 16.069 19 HG1 THR 4 HG1 THR 4 36.331 26.660 17.077 20 HG21 THR 4 1HG2 THR 4 37.415 25.172 13.559 21 HG22 THR 4 2HG2 THR 4 37.993 26.799 14.159 22 HG23 THR 4 3HG2 THR 4 36.378 26.613 13.554 23 HA DPR 5 HA DPR 5 36.399 21.627 13.034 24 HB2 DPR 5 HB2 DPR 5 35.040 21.879 11.249 25 HB3 DPR 5 HB1 DPR 5 34.019 20.554 12.088 26 HG2 DPR 5 HG2 DPR 5 32.890 23.006 11.554 27 HG3 DPR 5 HG1 DPR 5 32.682 22.230 13.091 28 HD2 DPR 5 HD2 DPR 5 34.749 24.254 12.315 29 HD3 DPR 5 HD1 DPR 5 33.533 24.374 13.645 30 H DAR 6 HN DAR 6 34.165 21.674 15.503 31 HA DAR 6 HA DAR 6 34.146 18.826 15.830 32 HB2 DAR 6 HB2 DAR 6 33.719 21.114 17.911 33 HB3 DAR 6 HB1 DAR 6 32.581 20.618 16.735 34 HG2 DAR 6 HG2 DAR 6 31.967 18.669 17.792 35 HG3 DAR 6 HG1 DAR 6 33.412 18.670 18.870 36 HD2 DAR 6 HD2 DAR 6 31.091 20.675 18.797 37 HD3 DAR 6 HD1 DAR 6 31.116 19.278 19.728 38 HE DAR 6 HE DAR 6 33.469 20.317 20.634 39 HH11 DAR 6 1HH1 DAR 6 33.880 21.934 22.163 40 HH12 DAR 6 2HH1 DAR 6 32.480 22.960 22.567 41 HH21 DAR 6 1HH2 DAR 6 30.118 21.262 20.855 42 HH22 DAR 6 2HH2 DAR 6 30.471 22.408 22.139 43 H GLN 7 HN GLN 7 36.467 21.151 17.069 44 HA GLN 7 HA GLN 7 38.134 19.086 17.831 45 HB2 GLN 7 HB2 GLN 7 38.582 22.047 18.044 46 HB3 GLN 7 HB1 GLN 7 39.741 20.805 18.500 47 HG2 GLN 7 HG2 GLN 7 39.828 19.992 16.276 48 HG3 GLN 7 HG1 GLN 7 38.444 21.021 15.766 49 HE21 GLN 7 1HE2 GLN 7 38.753 23.181 14.975 50 HE22 GLN 7 2HE2 GLN 7 40.364 23.680 14.756 51 H DGN 8 HN DGN 8 36.361 18.277 19.450 52 HA DGN 8 HA DGN 8 37.458 18.314 22.026 53 HB2 DGN 8 HB2 DGN 8 35.237 17.119 22.509 54 HB3 DGN 8 HB1 DGN 8 34.835 17.264 20.858 55 HG2 DGN 8 HG2 DGN 8 36.688 16.001 20.173 56 HG3 DGN 8 HG1 DGN 8 37.468 16.074 21.736 57 HE21 DGN 8 1HE2 DGN 8 35.139 14.334 19.813 58 HE22 DGN 8 2HE2 DGN 8 34.545 13.193 21.048 Start of MODEL 19 1 H1 ASP 1 HN ASP 1 37.512 19.912 23.483 2 HA ASP 1 HA ASP 1 35.552 21.253 24.495 3 HB2 ASP 1 HB2 ASP 1 38.346 22.283 24.493 4 HB3 ASP 1 HB1 ASP 1 37.069 22.758 25.695 5 H ASP 2 HN ASP 2 37.038 22.289 21.640 6 HA ASP 2 HA ASP 2 35.661 24.825 21.561 7 HB2 ASP 2 HB2 ASP 2 38.100 24.608 21.013 8 HB3 ASP 2 HB1 ASP 2 37.524 23.841 19.503 9 HA PRO 3 HA PRO 3 32.814 22.769 18.661 10 HB2 PRO 3 HB2 PRO 3 31.464 24.963 17.623 11 HB3 PRO 3 HB1 PRO 3 31.180 24.162 19.239 12 HG2 PRO 3 HG2 PRO 3 32.686 26.696 18.545 13 HG3 PRO 3 HG1 PRO 3 31.567 26.406 19.839 14 HD2 PRO 3 HD2 PRO 3 34.079 26.336 20.358 15 HD3 PRO 3 HD1 PRO 3 33.059 25.163 21.084 16 H THR 4 HN THR 4 35.220 25.099 17.662 17 HA THR 4 HA THR 4 34.934 25.464 14.861 18 HB THR 4 HB THR 4 37.355 25.105 16.643 19 HG1 THR 4 HG1 THR 4 36.337 26.903 17.300 20 HG21 THR 4 1HG2 THR 4 36.833 26.743 14.106 21 HG22 THR 4 2HG2 THR 4 37.638 25.265 13.968 22 HG23 THR 4 3HG2 THR 4 38.336 26.632 15.042 23 HA DPR 5 HA DPR 5 36.869 21.602 13.387 24 HB2 DPR 5 HB2 DPR 5 35.933 21.441 11.378 25 HB3 DPR 5 HB1 DPR 5 34.745 20.328 12.056 26 HG2 DPR 5 HG2 DPR 5 33.892 22.716 11.031 27 HG3 DPR 5 HG1 DPR 5 33.236 21.948 12.581 28 HD2 DPR 5 HD2 DPR 5 35.243 24.173 12.316 29 HD3 DPR 5 HD1 DPR 5 33.705 24.148 13.220 30 H DAR 6 HN DAR 6 33.987 21.615 15.436 31 HA DAR 6 HA DAR 6 33.792 18.884 15.914 32 HB2 DAR 6 HB2 DAR 6 33.645 21.000 18.044 33 HB3 DAR 6 HB1 DAR 6 32.376 20.526 16.801 34 HG2 DAR 6 HG2 DAR 6 32.025 18.485 17.694 35 HG3 DAR 6 HG1 DAR 6 33.472 18.563 18.775 36 HD2 DAR 6 HD2 DAR 6 30.801 19.889 19.248 37 HD3 DAR 6 HD1 DAR 6 31.378 18.504 20.029 38 HE DAR 6 HE DAR 6 33.262 19.832 20.993 39 HH11 DAR 6 1HH1 DAR 6 33.649 21.581 22.276 40 HH12 DAR 6 2HH1 DAR 6 32.488 22.877 22.450 41 HH21 DAR 6 1HH2 DAR 6 30.497 21.606 19.769 42 HH22 DAR 6 2HH2 DAR 6 30.560 22.758 21.086 43 H GLN 7 HN GLN 7 36.071 21.138 17.434 44 HA GLN 7 HA GLN 7 38.210 19.182 17.316 45 HB2 GLN 7 HB2 GLN 7 38.329 21.827 17.260 46 HB3 GLN 7 HB1 GLN 7 38.279 21.702 19.026 47 HG2 GLN 7 HG2 GLN 7 40.157 20.216 19.143 48 HG3 GLN 7 HG1 GLN 7 40.281 20.404 17.378 49 HE21 GLN 7 1HE2 GLN 7 42.498 21.324 17.846 50 HE22 GLN 7 2HE2 GLN 7 42.634 23.029 18.276 51 H DGN 8 HN DGN 8 35.908 20.100 19.816 52 HA DGN 8 HA DGN 8 37.307 18.361 21.854 53 HB2 DGN 8 HB2 DGN 8 34.280 18.200 21.231 54 HB3 DGN 8 HB1 DGN 8 35.516 17.255 20.280 55 HG2 DGN 8 HG2 DGN 8 36.272 16.329 22.282 56 HG3 DGN 8 HG1 DGN 8 35.343 17.531 23.258 57 HE21 DGN 8 1HE2 DGN 8 35.296 14.507 23.474 58 HE22 DGN 8 2HE2 DGN 8 33.617 13.995 23.138 Start of MODEL 20 1 H1 ASP 1 HN ASP 1 37.626 20.406 23.133 2 HA ASP 1 HA ASP 1 34.928 20.832 24.095 3 HB2 ASP 1 HB2 ASP 1 37.660 21.830 24.812 4 HB3 ASP 1 HB1 ASP 1 36.260 22.751 25.353 5 H ASP 2 HN ASP 2 36.996 22.236 21.653 6 HA ASP 2 HA ASP 2 35.628 24.812 21.697 7 HB2 ASP 2 HB2 ASP 2 38.093 23.802 20.626 8 HB3 ASP 2 HB1 ASP 2 37.165 24.565 19.333 9 HA PRO 3 HA PRO 3 32.586 23.452 18.601 10 HB2 PRO 3 HB2 PRO 3 32.133 25.719 17.125 11 HB3 PRO 3 HB1 PRO 3 31.432 25.452 18.732 12 HG2 PRO 3 HG2 PRO 3 33.754 27.116 17.930 13 HG3 PRO 3 HG1 PRO 3 32.521 27.406 19.167 14 HD2 PRO 3 HD2 PRO 3 35.055 26.522 19.778 15 HD3 PRO 3 HD1 PRO 3 33.621 26.162 20.768 16 H THR 4 HN THR 4 35.187 25.496 17.454 17 HA THR 4 HA THR 4 35.498 25.361 14.881 18 HB THR 4 HB THR 4 37.846 24.501 16.539 19 HG1 THR 4 HG1 THR 4 37.955 26.636 17.208 20 HG21 THR 4 1HG2 THR 4 37.693 26.705 14.490 21 HG22 THR 4 2HG2 THR 4 37.930 25.037 13.970 22 HG23 THR 4 3HG2 THR 4 39.105 25.804 15.033 23 HA DPR 5 HA DPR 5 36.237 21.321 12.967 24 HB2 DPR 5 HB2 DPR 5 34.555 21.406 11.432 25 HB3 DPR 5 HB1 DPR 5 33.603 20.435 12.570 26 HG2 DPR 5 HG2 DPR 5 32.824 22.862 11.770 27 HG3 DPR 5 HG1 DPR 5 32.488 22.249 13.403 28 HD2 DPR 5 HD2 DPR 5 34.586 24.221 12.525 29 HD3 DPR 5 HD1 DPR 5 33.554 24.195 13.978 30 H DAR 6 HN DAR 6 33.925 21.533 15.581 31 HA DAR 6 HA DAR 6 33.877 18.785 16.167 32 HB2 DAR 6 HB2 DAR 6 33.411 20.866 18.261 33 HB3 DAR 6 HB1 DAR 6 32.279 20.723 16.931 34 HG2 DAR 6 HG2 DAR 6 31.648 18.493 17.545 35 HG3 DAR 6 HG1 DAR 6 33.057 18.286 18.579 36 HD2 DAR 6 HD2 DAR 6 30.810 20.251 19.209 37 HD3 DAR 6 HD1 DAR 6 30.861 18.600 19.807 38 HE DAR 6 HE DAR 6 33.305 19.685 20.532 39 HH11 DAR 6 1HH1 DAR 6 33.635 20.648 22.547 40 HH12 DAR 6 2HH1 DAR 6 32.288 21.244 23.458 41 HH21 DAR 6 1HH2 DAR 6 29.933 20.335 21.092 42 HH22 DAR 6 2HH2 DAR 6 30.202 21.068 22.638 43 H GLN 7 HN GLN 7 36.177 21.316 16.858 44 HA GLN 7 HA GLN 7 38.038 19.336 17.776 45 HB2 GLN 7 HB2 GLN 7 38.213 22.353 17.837 46 HB3 GLN 7 HB1 GLN 7 39.427 21.374 18.630 47 HG2 GLN 7 HG2 GLN 7 40.162 20.411 16.637 48 HG3 GLN 7 HG1 GLN 7 38.696 20.802 15.768 49 HE21 GLN 7 1HE2 GLN 7 41.495 22.413 17.348 50 HE22 GLN 7 2HE2 GLN 7 41.516 23.737 16.288 51 H DGN 8 HN DGN 8 37.330 18.202 19.411 52 HA DGN 8 HA DGN 8 38.097 18.781 21.931 53 HB2 DGN 8 HB2 DGN 8 36.071 17.073 22.510 54 HB3 DGN 8 HB1 DGN 8 36.184 16.819 20.776 55 HG2 DGN 8 HG2 DGN 8 38.695 16.417 21.122 56 HG3 DGN 8 HG1 DGN 8 38.353 16.389 22.858 57 HE21 DGN 8 1HE2 DGN 8 37.648 14.721 19.780 58 HE22 DGN 8 2HE2 DGN 8 37.139 13.268 20.507
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