NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624075 | 6beq | 30359 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 24.350 24.510 11.990 2 HA ALA 1 HA ALA 1 24.890 26.550 13.480 3 HB1 ALA 1 HB1 ALA 1 24.790 26.350 11.010 4 HB2 ALA 1 HB2 ALA 1 24.230 27.890 11.850 5 HB3 ALA 1 HB3 ALA 1 23.100 26.650 11.110 6 H ALA 2 H ALA 2 21.560 25.310 13.090 7 HA ALA 2 HA ALA 2 20.130 27.270 14.420 8 HB1 ALA 2 HB1 ALA 2 19.990 24.150 14.360 9 HB2 ALA 2 HB2 ALA 2 19.390 25.290 13.080 10 HB3 ALA 2 HB3 ALA 2 18.580 25.240 14.600 11 H ARG 3 H ARG 3 22.410 25.240 15.910 12 HA ARG 3 HA ARG 3 21.530 26.250 18.550 13 HB2 ARG 3 HB2 ARG 3 22.230 24.160 19.630 14 HB3 ARG 3 HB1 ARG 3 20.750 24.070 18.800 15 HG2 ARG 3 HG2 ARG 3 22.060 22.950 16.900 16 HG3 ARG 3 HG1 ARG 3 23.530 23.100 17.890 17 HD2 ARG 3 HD2 ARG 3 22.180 21.720 19.670 18 HD3 ARG 3 HD1 ARG 3 21.010 21.420 18.380 19 HE ARG 3 HE ARG 3 23.500 20.110 18.790 20 HH11 ARG 3 1HH1 ARG 3 24.410 18.780 17.230 21 HH12 ARG 3 2HH1 ARG 3 23.540 18.580 15.740 22 HH21 ARG 3 1HH2 ARG 3 21.230 21.000 16.170 23 HH22 ARG 3 2HH2 ARG 3 21.910 19.810 15.100 24 H DVA 4 H DVA 4 24.260 25.850 16.420 25 HA DVA 4 HA DVA 4 26.040 26.550 18.750 26 HB DVA 4 HB DVA 4 25.950 27.860 16.060 27 HG11 DVA 4 1HG1 DVA 4 25.540 30.040 17.630 28 HG12 DVA 4 2HG1 DVA 4 25.090 28.780 18.780 29 HG13 DVA 4 3HG1 DVA 4 24.270 28.880 17.200 30 HG21 DVA 4 1HG2 DVA 4 28.210 27.740 16.770 31 HG22 DVA 4 2HG2 DVA 4 27.800 28.400 18.370 32 HG23 DVA 4 3HG2 DVA 4 27.680 29.360 16.850 33 HA DPR 5 HA DPR 5 27.690 22.940 16.970 34 HB2 DPR 5 HB1 DPR 5 29.780 22.420 18.690 35 HB3 DPR 5 HB2 DPR 5 28.100 21.940 19.010 36 HG2 DPR 5 HG1 DPR 5 29.490 24.340 20.130 37 HG3 DPR 5 HG2 DPR 5 28.400 23.320 20.950 38 HD2 DPR 5 HD1 DPR 5 27.500 25.670 19.880 39 HD3 DPR 5 HD2 DPR 5 26.510 24.260 19.910 40 H ARG 6 H ARG 6 29.330 22.250 15.560 41 HA ARG 6 HA ARG 6 31.740 24.010 15.380 42 HB2 ARG 6 HB2 ARG 6 32.710 22.240 14.280 43 HB3 ARG 6 HB1 ARG 6 31.610 21.490 15.440 44 HG2 ARG 6 HG2 ARG 6 29.950 21.350 13.350 45 HG3 ARG 6 HG1 ARG 6 31.370 21.830 12.450 46 HD2 ARG 6 HD2 ARG 6 32.520 19.830 13.010 47 HD3 ARG 6 HD1 ARG 6 31.320 19.500 14.360 48 HE ARG 6 HE ARG 6 30.970 19.000 11.460 49 HH11 ARG 6 1HH1 ARG 6 29.550 17.370 11.040 50 HH12 ARG 6 2HH1 ARG 6 28.280 16.990 12.210 51 HH21 ARG 6 1HH2 ARG 6 29.230 19.270 14.590 52 HH22 ARG 6 2HH2 ARG 6 28.170 17.890 14.090 53 H DLE 7 H DLE 7 28.790 24.600 14.310 54 HA DLE 7 HA DLE 7 29.700 25.670 11.660 55 HB2 DLE 7 HB1 DLE 7 27.050 26.140 13.040 56 HB3 DLE 7 HB2 DLE 7 27.610 26.820 11.630 57 HG DLE 7 HG DLE 7 28.650 27.140 14.500 58 HD11 DLE 7 1HD1 DLE 7 30.350 28.100 12.260 59 HD12 DLE 7 2HD1 DLE 7 30.840 27.000 13.620 60 HD13 DLE 7 3HD1 DLE 7 30.490 28.740 13.780 61 HD21 DLE 7 1HD2 DLE 7 28.180 29.400 14.190 62 HD22 DLE 7 2HD2 DLE 7 26.810 28.580 13.460 63 HD23 DLE 7 3HD2 DLE 7 28.120 29.170 12.420 64 H DTH 8 H DTH 8 28.370 25.260 9.580 65 HA DTH 8 HA DTH 8 28.210 22.500 9.330 66 HB DTH 8 HB DTH 8 28.850 23.910 7.680 67 HG21 DTH 8 1HG2 DTH 8 26.130 22.590 7.000 68 HG22 DTH 8 2HG2 DTH 8 27.760 22.020 6.620 69 HG23 DTH 8 3HG2 DTH 8 27.230 23.360 5.760 70 HG1 DTH 8 HG1 DTH 8 28.000 25.560 7.150 71 HA PRO 9 HA PRO 9 23.840 21.600 9.490 72 HB2 PRO 9 HB2 PRO 9 23.850 19.420 11.060 73 HB3 PRO 9 HB1 PRO 9 24.190 19.370 9.330 74 HG2 PRO 9 HG2 PRO 9 26.140 19.370 11.790 75 HG3 PRO 9 HG1 PRO 9 26.290 18.430 10.240 76 HD2 PRO 9 HD2 PRO 9 27.550 20.810 10.810 77 HD3 PRO 9 HD1 PRO 9 27.170 20.030 9.200 78 H GLU 10 H GLU 10 25.990 22.330 12.190 79 HA GLU 10 HA GLU 10 23.750 22.020 14.140 80 HB2 GLU 10 HB2 GLU 10 26.670 22.820 14.680 81 HB3 GLU 10 HB1 GLU 10 25.400 22.550 15.820 82 HG2 GLU 10 HG2 GLU 10 25.390 20.080 14.580 83 HG3 GLU 10 HG1 GLU 10 26.860 20.690 13.930 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 24.062 24.476 12.022 2 HA ALA 1 HA ALA 1 24.970 26.394 13.966 3 HB1 ALA 1 HB1 ALA 1 25.184 26.146 11.398 4 HB2 ALA 1 HB2 ALA 1 25.018 27.739 12.104 5 HB3 ALA 1 HB3 ALA 1 23.578 26.872 11.336 6 H ALA 2 H ALA 2 21.814 25.014 13.597 7 HA ALA 2 HA ALA 2 20.279 27.365 14.171 8 HB1 ALA 2 HB1 ALA 2 19.650 24.463 14.306 9 HB2 ALA 2 HB2 ALA 2 19.199 25.565 13.022 10 HB3 ALA 2 HB3 ALA 2 18.550 25.869 14.662 11 H ARG 3 H ARG 3 22.311 25.050 15.853 12 HA ARG 3 HA ARG 3 21.676 26.205 18.547 13 HB2 ARG 3 HB2 ARG 3 21.840 24.031 19.552 14 HB3 ARG 3 HB1 ARG 3 20.510 24.202 18.458 15 HG2 ARG 3 HG2 ARG 3 21.640 22.742 16.792 16 HG3 ARG 3 HG1 ARG 3 23.190 23.064 17.625 17 HD2 ARG 3 HD2 ARG 3 22.353 21.767 19.565 18 HD3 ARG 3 HD1 ARG 3 20.878 21.483 18.785 19 HE ARG 3 HE ARG 3 21.939 19.799 17.488 20 HH11 ARG 3 1HH1 ARG 3 23.419 18.995 16.211 21 HH12 ARG 3 2HH1 ARG 3 25.159 19.454 16.447 22 HH21 ARG 3 1HH2 ARG 3 24.555 21.553 19.075 23 HH22 ARG 3 2HH2 ARG 3 25.741 20.900 17.913 24 H DVA 4 H DVA 4 24.040 26.643 16.621 25 HA DVA 4 HA DVA 4 25.949 26.661 18.817 26 HB DVA 4 HB DVA 4 26.108 27.930 16.096 27 HG11 DVA 4 1HG1 DVA 4 25.595 29.000 18.843 28 HG12 DVA 4 2HG1 DVA 4 24.488 29.039 17.431 29 HG13 DVA 4 3HG1 DVA 4 25.885 29.924 17.302 30 HG21 DVA 4 1HG2 DVA 4 28.039 29.158 17.231 31 HG22 DVA 4 2HG2 DVA 4 28.313 27.492 16.703 32 HG23 DVA 4 3HG2 DVA 4 27.962 27.834 18.466 33 HA DPR 5 HA DPR 5 27.750 22.928 17.019 34 HB2 DPR 5 HB1 DPR 5 29.797 22.540 18.729 35 HB3 DPR 5 HB2 DPR 5 28.006 22.241 19.112 36 HG2 DPR 5 HG1 DPR 5 29.746 24.738 19.648 37 HG3 DPR 5 HG2 DPR 5 28.846 23.713 20.838 38 HD2 DPR 5 HD1 DPR 5 27.660 25.963 19.736 39 HD3 DPR 5 HD2 DPR 5 26.716 24.478 19.956 40 H ARG 6 H ARG 6 29.482 22.394 15.734 41 HA ARG 6 HA ARG 6 31.662 24.190 15.491 42 HB2 ARG 6 HB2 ARG 6 32.738 22.585 14.181 43 HB3 ARG 6 HB1 ARG 6 31.984 21.694 15.285 44 HG2 ARG 6 HG2 ARG 6 30.100 21.861 13.140 45 HG3 ARG 6 HG1 ARG 6 31.668 21.813 12.354 46 HD2 ARG 6 HD2 ARG 6 32.263 19.686 13.485 47 HD3 ARG 6 HD1 ARG 6 30.818 19.713 14.383 48 HE ARG 6 HE ARG 6 31.016 19.340 11.420 49 HH11 ARG 6 1HH1 ARG 6 29.834 17.561 10.612 50 HH12 ARG 6 2HH1 ARG 6 28.300 17.241 11.442 51 HH21 ARG 6 1HH2 ARG 6 28.858 19.325 14.095 52 HH22 ARG 6 2HH2 ARG 6 27.734 18.152 13.417 53 H DLE 7 H DLE 7 28.565 24.047 14.026 54 HA DLE 7 HA DLE 7 29.452 25.516 11.578 55 HB2 DLE 7 HB1 DLE 7 27.082 26.161 13.302 56 HB3 DLE 7 HB2 DLE 7 27.507 26.933 11.841 57 HG DLE 7 HG DLE 7 29.089 27.184 14.349 58 HD11 DLE 7 1HD1 DLE 7 30.602 27.479 12.355 59 HD12 DLE 7 2HD1 DLE 7 30.389 28.852 13.279 60 HD13 DLE 7 3HD1 DLE 7 29.339 28.734 11.788 61 HD21 DLE 7 1HD2 DLE 7 28.085 29.332 14.391 62 HD22 DLE 7 2HD2 DLE 7 26.685 28.195 14.138 63 HD23 DLE 7 3HD2 DLE 7 27.343 29.177 12.862 64 H DTH 8 H DTH 8 27.656 25.799 9.926 65 HA DTH 8 HA DTH 8 27.616 23.253 8.939 66 HB DTH 8 HB DTH 8 26.133 25.827 8.216 67 HG21 DTH 8 1HG2 DTH 8 27.612 25.791 6.253 68 HG22 DTH 8 2HG2 DTH 8 28.479 24.330 6.984 69 HG23 DTH 8 3HG2 DTH 8 28.458 25.904 7.801 70 HG1 DTH 8 HG1 DTH 8 24.957 24.397 7.126 71 HA PRO 9 HA PRO 9 23.618 21.574 9.594 72 HB2 PRO 9 HB2 PRO 9 25.275 19.261 10.614 73 HB3 PRO 9 HB1 PRO 9 23.802 19.363 9.578 74 HG2 PRO 9 HG2 PRO 9 26.423 19.037 8.557 75 HG3 PRO 9 HG1 PRO 9 25.310 20.049 7.643 76 HD2 PRO 9 HD2 PRO 9 27.244 20.929 9.752 77 HD3 PRO 9 HD1 PRO 9 27.037 21.617 8.153 78 H GLU 10 H GLU 10 25.563 22.638 11.905 79 HA GLU 10 HA GLU 10 23.816 21.822 14.205 80 HB2 GLU 10 HB2 GLU 10 26.553 23.109 14.396 81 HB3 GLU 10 HB1 GLU 10 25.501 22.424 15.659 82 HG2 GLU 10 HG2 GLU 10 25.764 20.150 14.423 83 HG3 GLU 10 HG1 GLU 10 26.996 20.923 13.538 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 24.262 24.619 12.027 2 HA ALA 1 HA ALA 1 24.728 26.727 13.631 3 HB1 ALA 1 HB1 ALA 1 24.034 28.160 11.630 4 HB2 ALA 1 HB2 ALA 1 22.949 26.938 11.130 5 HB3 ALA 1 HB3 ALA 1 24.689 26.609 10.974 6 H ALA 2 H ALA 2 21.476 25.318 13.043 7 HA ALA 2 HA ALA 2 20.108 27.348 14.434 8 HB1 ALA 2 HB1 ALA 2 19.453 24.416 14.179 9 HB2 ALA 2 HB2 ALA 2 19.047 25.604 12.917 10 HB3 ALA 2 HB3 ALA 2 18.400 25.706 14.607 11 H ARG 3 H ARG 3 22.299 25.094 15.794 12 HA ARG 3 HA ARG 3 21.432 25.816 18.482 13 HB2 ARG 3 HB2 ARG 3 21.802 23.414 19.105 14 HB3 ARG 3 HB1 ARG 3 20.379 23.744 18.209 15 HG2 ARG 3 HG2 ARG 3 21.511 22.960 16.102 16 HG3 ARG 3 HG1 ARG 3 22.959 22.578 16.996 17 HD2 ARG 3 HD2 ARG 3 21.728 20.959 18.264 18 HD3 ARG 3 HD1 ARG 3 20.215 21.326 17.415 19 HE ARG 3 HE ARG 3 20.976 20.298 15.493 20 HH11 ARG 3 1HH1 ARG 3 22.200 18.890 14.372 21 HH12 ARG 3 2HH1 ARG 3 23.821 18.324 14.974 22 HH21 ARG 3 1HH2 ARG 3 23.347 19.460 18.052 23 HH22 ARG 3 2HH2 ARG 3 24.441 18.856 16.830 24 H DVA 4 H DVA 4 24.416 25.053 16.705 25 HA DVA 4 HA DVA 4 25.843 26.306 19.006 26 HB DVA 4 HB DVA 4 25.888 27.291 16.212 27 HG11 DVA 4 1HG1 DVA 4 23.749 27.890 17.318 28 HG12 DVA 4 2HG1 DVA 4 24.681 29.266 17.010 29 HG13 DVA 4 3HG1 DVA 4 24.730 28.592 18.690 30 HG21 DVA 4 1HG2 DVA 4 27.192 29.202 17.171 31 HG22 DVA 4 2HG2 DVA 4 28.064 27.686 17.392 32 HG23 DVA 4 3HG2 DVA 4 27.062 28.423 18.716 33 HA DPR 5 HA DPR 5 28.451 23.173 17.774 34 HB2 DPR 5 HB1 DPR 5 30.662 24.334 19.334 35 HB3 DPR 5 HB2 DPR 5 29.695 22.759 19.574 36 HG2 DPR 5 HG1 DPR 5 29.413 24.958 21.251 37 HG3 DPR 5 HG2 DPR 5 28.089 23.768 20.899 38 HD2 DPR 5 HD1 DPR 5 28.593 26.496 19.702 39 HD3 DPR 5 HD2 DPR 5 27.087 25.635 20.216 40 H ARG 6 H ARG 6 29.810 22.847 16.136 41 HA ARG 6 HA ARG 6 31.887 24.734 15.567 42 HB2 ARG 6 HB2 ARG 6 33.252 22.950 14.992 43 HB3 ARG 6 HB1 ARG 6 32.500 22.508 16.452 44 HG2 ARG 6 HG2 ARG 6 30.814 21.149 15.312 45 HG3 ARG 6 HG1 ARG 6 31.471 21.819 13.790 46 HD2 ARG 6 HD2 ARG 6 33.587 20.693 14.206 47 HD3 ARG 6 HD1 ARG 6 32.746 19.818 15.564 48 HE ARG 6 HE ARG 6 31.375 19.522 13.010 49 HH11 ARG 6 1HH1 ARG 6 31.605 17.717 11.578 50 HH12 ARG 6 2HH1 ARG 6 33.101 16.807 11.668 51 HH21 ARG 6 1HH2 ARG 6 34.464 18.478 14.326 52 HH22 ARG 6 2HH2 ARG 6 34.684 17.332 12.992 53 H DLE 7 H DLE 7 29.270 23.348 13.800 54 HA DLE 7 HA DLE 7 29.925 25.019 11.418 55 HB2 DLE 7 HB1 DLE 7 27.641 24.922 13.342 56 HB3 DLE 7 HB2 DLE 7 27.488 25.759 11.800 57 HG DLE 7 HG DLE 7 29.560 26.608 13.779 58 HD11 DLE 7 1HD1 DLE 7 27.931 27.967 11.574 59 HD12 DLE 7 2HD1 DLE 7 29.667 27.538 11.388 60 HD13 DLE 7 3HD1 DLE 7 29.266 28.838 12.435 61 HD21 DLE 7 1HD2 DLE 7 28.141 28.245 14.635 62 HD22 DLE 7 2HD2 DLE 7 27.446 26.561 14.811 63 HD23 DLE 7 3HD2 DLE 7 26.743 27.714 13.647 64 H DTH 8 H DTH 8 28.612 24.637 9.640 65 HA DTH 8 HA DTH 8 27.811 21.958 9.152 66 HB DTH 8 HB DTH 8 27.221 24.466 7.484 67 HG21 DTH 8 1HG2 DTH 8 29.212 23.933 6.205 68 HG22 DTH 8 2HG2 DTH 8 29.605 22.498 7.164 69 HG23 DTH 8 3HG2 DTH 8 29.694 24.046 7.905 70 HG1 DTH 8 HG1 DTH 8 27.128 22.980 5.957 71 HA PRO 9 HA PRO 9 23.241 22.412 9.414 72 HB2 PRO 9 HB2 PRO 9 22.822 19.888 10.660 73 HB3 PRO 9 HB1 PRO 9 22.822 20.260 8.955 74 HG2 PRO 9 HG2 PRO 9 25.046 18.957 10.497 75 HG3 PRO 9 HG1 PRO 9 24.540 18.664 8.979 76 HD2 PRO 9 HD2 PRO 9 26.743 20.419 9.645 77 HD3 PRO 9 HD1 PRO 9 25.796 20.281 8.112 78 H GLU 10 H GLU 10 25.687 22.230 11.935 79 HA GLU 10 HA GLU 10 23.779 22.154 14.033 80 HB2 GLU 10 HB2 GLU 10 26.686 22.961 14.282 81 HB3 GLU 10 HB1 GLU 10 25.519 22.374 15.511 82 HG2 GLU 10 HG2 GLU 10 25.212 20.243 14.568 83 HG3 GLU 10 HG1 GLU 10 26.349 20.604 13.329 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 23.955 24.205 12.181 2 HA ALA 1 HA ALA 1 24.671 26.476 13.666 3 HB1 ALA 1 HB1 ALA 1 24.795 26.035 11.142 4 HB2 ALA 1 HB2 ALA 1 24.187 27.658 11.573 5 HB3 ALA 1 HB3 ALA 1 23.080 26.440 11.037 6 H ALA 2 H ALA 2 21.404 25.218 13.448 7 HA ALA 2 HA ALA 2 20.281 27.539 14.670 8 HB1 ALA 2 HB1 ALA 2 18.297 25.995 15.099 9 HB2 ALA 2 HB2 ALA 2 19.253 24.684 14.610 10 HB3 ALA 2 HB3 ALA 2 18.882 25.992 13.424 11 H ARG 3 H ARG 3 22.471 25.542 15.995 12 HA ARG 3 HA ARG 3 21.583 26.338 18.647 13 HB2 ARG 3 HB2 ARG 3 21.863 24.125 19.704 14 HB3 ARG 3 HB1 ARG 3 20.655 24.166 18.466 15 HG2 ARG 3 HG2 ARG 3 21.847 22.938 16.929 16 HG3 ARG 3 HG1 ARG 3 23.380 23.135 17.858 17 HD2 ARG 3 HD2 ARG 3 22.573 21.589 19.559 18 HD3 ARG 3 HD1 ARG 3 20.954 21.675 18.941 19 HE ARG 3 HE ARG 3 21.317 20.286 17.304 20 HH11 ARG 3 1HH1 ARG 3 22.805 18.727 15.985 21 HH12 ARG 3 2HH1 ARG 3 24.544 18.902 16.294 22 HH21 ARG 3 1HH2 ARG 3 24.449 21.042 18.881 23 HH22 ARG 3 2HH2 ARG 3 25.404 19.949 17.945 24 H DVA 4 H DVA 4 24.220 25.878 16.578 25 HA DVA 4 HA DVA 4 26.135 26.428 18.749 26 HB DVA 4 HB DVA 4 25.876 27.676 15.953 27 HG11 DVA 4 1HG1 DVA 4 25.742 28.910 18.799 28 HG12 DVA 4 2HG1 DVA 4 24.553 29.056 17.430 29 HG13 DVA 4 3HG1 DVA 4 26.106 29.862 17.400 30 HG21 DVA 4 1HG2 DVA 4 27.926 28.846 16.272 31 HG22 DVA 4 2HG2 DVA 4 28.221 27.186 16.452 32 HG23 DVA 4 3HG2 DVA 4 28.137 28.155 17.934 33 HA DPR 5 HA DPR 5 27.592 22.758 16.643 34 HB2 DPR 5 HB1 DPR 5 29.189 21.777 18.504 35 HB3 DPR 5 HB2 DPR 5 27.435 21.836 18.709 36 HG2 DPR 5 HG1 DPR 5 29.376 23.688 20.072 37 HG3 DPR 5 HG2 DPR 5 27.829 22.921 20.635 38 HD2 DPR 5 HD1 DPR 5 28.007 25.527 19.415 39 HD3 DPR 5 HD2 DPR 5 26.621 24.412 19.888 40 H ARG 6 H ARG 6 29.247 22.594 15.285 41 HA ARG 6 HA ARG 6 31.589 24.442 15.619 42 HB2 ARG 6 HB2 ARG 6 31.327 21.779 14.260 43 HB3 ARG 6 HB1 ARG 6 32.712 22.854 14.025 44 HG2 ARG 6 HG2 ARG 6 33.351 22.715 16.276 45 HG3 ARG 6 HG1 ARG 6 31.727 22.055 16.722 46 HD2 ARG 6 HD2 ARG 6 33.221 20.171 16.777 47 HD3 ARG 6 HD1 ARG 6 32.139 20.091 15.420 48 HE ARG 6 HE ARG 6 33.956 20.257 13.795 49 HH11 ARG 6 1HH1 ARG 6 35.984 19.657 13.263 50 HH12 ARG 6 2HH1 ARG 6 37.202 20.084 14.394 51 HH21 ARG 6 1HH2 ARG 6 35.400 20.916 17.065 52 HH22 ARG 6 2HH2 ARG 6 36.922 20.890 16.377 53 H DLE 7 H DLE 7 28.754 24.917 14.136 54 HA DLE 7 HA DLE 7 29.773 25.697 11.493 55 HB2 DLE 7 HB1 DLE 7 27.122 25.981 12.868 56 HB3 DLE 7 HB2 DLE 7 27.511 26.599 11.232 57 HG DLE 7 HG DLE 7 28.573 27.630 13.854 58 HD11 DLE 7 1HD1 DLE 7 29.074 28.568 11.096 59 HD12 DLE 7 2HD1 DLE 7 30.295 27.623 12.084 60 HD13 DLE 7 3HD1 DLE 7 29.785 29.256 12.556 61 HD21 DLE 7 1HD2 DLE 7 27.264 29.574 13.285 62 HD22 DLE 7 2HD2 DLE 7 26.198 28.125 13.394 63 HD23 DLE 7 3HD2 DLE 7 26.671 28.829 11.841 64 H DTH 8 H DTH 8 28.528 25.114 9.640 65 HA DTH 8 HA DTH 8 28.550 22.216 9.439 66 HB DTH 8 HB DTH 8 27.572 24.296 7.513 67 HG21 DTH 8 1HG2 DTH 8 30.030 24.275 7.480 68 HG22 DTH 8 2HG2 DTH 8 29.428 23.524 6.082 69 HG23 DTH 8 3HG2 DTH 8 29.999 22.466 7.339 70 HG1 DTH 8 HG1 DTH 8 27.820 21.571 6.891 71 HA PRO 9 HA PRO 9 24.104 21.859 9.360 72 HB2 PRO 9 HB2 PRO 9 23.583 19.429 10.331 73 HB3 PRO 9 HB1 PRO 9 24.542 19.662 8.790 74 HG2 PRO 9 HG2 PRO 9 25.790 19.132 11.586 75 HG3 PRO 9 HG1 PRO 9 25.916 18.352 9.979 76 HD2 PRO 9 HD2 PRO 9 27.573 20.389 10.728 77 HD3 PRO 9 HD1 PRO 9 27.065 20.300 9.021 78 H GLU 10 H GLU 10 25.788 22.225 12.214 79 HA GLU 10 HA GLU 10 23.578 21.829 14.068 80 HB2 GLU 10 HB2 GLU 10 26.436 22.865 14.430 81 HB3 GLU 10 HB1 GLU 10 25.285 22.128 15.655 82 HG2 GLU 10 HG2 GLU 10 25.420 20.060 14.284 83 HG3 GLU 10 HG1 GLU 10 26.794 20.704 13.556 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 23.747 24.315 11.694 2 HA ALA 1 HA ALA 1 24.198 26.790 11.920 3 HB1 ALA 1 HB1 ALA 1 21.480 25.960 10.940 4 HB2 ALA 1 HB2 ALA 1 22.914 25.517 10.088 5 HB3 ALA 1 HB3 ALA 1 22.507 27.280 10.386 6 H ALA 2 H ALA 2 21.209 25.466 13.495 7 HA ALA 2 HA ALA 2 20.858 28.106 14.771 8 HB1 ALA 2 HB1 ALA 2 18.514 27.455 15.047 9 HB2 ALA 2 HB2 ALA 2 18.834 25.920 14.406 10 HB3 ALA 2 HB3 ALA 2 18.807 27.359 13.335 11 H ARG 3 H ARG 3 22.681 25.549 15.606 12 HA ARG 3 HA ARG 3 21.614 25.400 18.346 13 HB2 ARG 3 HB2 ARG 3 22.892 23.218 16.720 14 HB3 ARG 3 HB1 ARG 3 22.720 23.234 18.489 15 HG2 ARG 3 HG2 ARG 3 20.204 23.624 18.133 16 HG3 ARG 3 HG1 ARG 3 20.451 23.385 16.390 17 HD2 ARG 3 HD2 ARG 3 21.340 21.271 18.365 18 HD3 ARG 3 HD1 ARG 3 19.704 21.425 17.684 19 HE ARG 3 HE ARG 3 22.266 20.655 16.379 20 HH11 ARG 3 1HH1 ARG 3 22.281 19.853 14.383 21 HH12 ARG 3 2HH1 ARG 3 20.856 19.700 13.430 22 HH21 ARG 3 1HH2 ARG 3 18.744 21.260 15.815 23 HH22 ARG 3 2HH2 ARG 3 18.808 20.610 14.230 24 H DVA 4 H DVA 4 24.701 25.065 16.529 25 HA DVA 4 HA DVA 4 26.007 25.908 19.050 26 HB DVA 4 HB DVA 4 26.338 27.286 16.406 27 HG11 DVA 4 1HG1 DVA 4 24.456 28.147 17.407 28 HG12 DVA 4 2HG1 DVA 4 25.772 29.269 17.686 29 HG13 DVA 4 3HG1 DVA 4 25.247 28.220 19.069 30 HG21 DVA 4 1HG2 DVA 4 27.901 28.678 17.645 31 HG22 DVA 4 2HG2 DVA 4 28.603 27.131 17.832 32 HG23 DVA 4 3HG2 DVA 4 27.740 27.957 19.143 33 HA DPR 5 HA DPR 5 28.397 22.483 17.210 34 HB2 DPR 5 HB1 DPR 5 30.508 22.358 18.953 35 HB3 DPR 5 HB2 DPR 5 28.713 21.845 19.270 36 HG2 DPR 5 HG1 DPR 5 30.128 24.433 20.048 37 HG3 DPR 5 HG2 DPR 5 29.173 23.255 21.109 38 HD2 DPR 5 HD1 DPR 5 28.081 25.428 19.972 39 HD3 DPR 5 HD2 DPR 5 27.273 23.878 20.153 40 H ARG 6 H ARG 6 29.573 22.724 15.329 41 HA ARG 6 HA ARG 6 31.549 24.917 15.080 42 HB2 ARG 6 HB2 ARG 6 31.848 22.063 14.038 43 HB3 ARG 6 HB1 ARG 6 32.893 23.398 13.663 44 HG2 ARG 6 HG2 ARG 6 33.562 23.637 16.109 45 HG3 ARG 6 HG1 ARG 6 32.655 22.174 16.442 46 HD2 ARG 6 HD2 ARG 6 34.929 21.527 16.094 47 HD3 ARG 6 HD1 ARG 6 34.025 21.036 14.662 48 HE ARG 6 HE ARG 6 35.130 23.561 14.091 49 HH11 ARG 6 1HH1 ARG 6 36.720 23.590 12.671 50 HH12 ARG 6 2HH1 ARG 6 38.021 22.368 12.560 51 HH21 ARG 6 1HH2 ARG 6 36.191 20.077 14.389 52 HH22 ARG 6 2HH2 ARG 6 37.575 20.456 13.379 53 H DLE 7 H DLE 7 28.651 24.892 14.533 54 HA DLE 7 HA DLE 7 29.056 25.989 11.864 55 HB2 DLE 7 HB1 DLE 7 26.741 25.742 13.893 56 HB3 DLE 7 HB2 DLE 7 26.494 26.265 12.218 57 HG DLE 7 HG DLE 7 28.091 27.557 14.474 58 HD11 DLE 7 1HD1 DLE 7 28.701 29.391 12.916 59 HD12 DLE 7 2HD1 DLE 7 28.136 28.304 11.588 60 HD13 DLE 7 3HD1 DLE 7 29.531 27.893 12.660 61 HD21 DLE 7 1HD2 DLE 7 26.452 29.498 14.202 62 HD22 DLE 7 2HD2 DLE 7 25.625 28.003 14.389 63 HD23 DLE 7 3HD2 DLE 7 25.771 28.612 12.796 64 H DTH 8 H DTH 8 28.452 24.919 9.901 65 HA DTH 8 HA DTH 8 28.473 22.066 10.068 66 HB DTH 8 HB DTH 8 27.483 23.926 7.818 67 HG21 DTH 8 1HG2 DTH 8 29.557 23.804 6.802 68 HG22 DTH 8 2HG2 DTH 8 30.029 22.526 7.950 69 HG23 DTH 8 3HG2 DTH 8 29.913 24.308 8.405 70 HG1 DTH 8 HG1 DTH 8 27.918 22.333 6.530 71 HA PRO 9 HA PRO 9 23.923 21.648 9.523 72 HB2 PRO 9 HB2 PRO 9 23.372 19.513 11.122 73 HB3 PRO 9 HB1 PRO 9 23.993 19.290 9.445 74 HG2 PRO 9 HG2 PRO 9 25.485 19.342 12.026 75 HG3 PRO 9 HG1 PRO 9 25.830 18.217 10.668 76 HD2 PRO 9 HD2 PRO 9 27.416 20.414 10.994 77 HD3 PRO 9 HD1 PRO 9 26.879 19.785 9.365 78 H GLU 10 H GLU 10 25.716 22.299 12.396 79 HA GLU 10 HA GLU 10 23.392 22.488 14.158 80 HB2 GLU 10 HB2 GLU 10 26.353 23.037 14.587 81 HB3 GLU 10 HB1 GLU 10 25.058 23.045 15.826 82 HG2 GLU 10 HG2 GLU 10 26.148 20.761 14.328 83 HG3 GLU 10 HG1 GLU 10 26.430 21.162 16.036 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 24.544 24.568 12.068 2 HA ALA 1 HA ALA 1 24.647 26.738 14.001 3 HB1 ALA 1 HB1 ALA 1 25.521 26.674 11.738 4 HB2 ALA 1 HB2 ALA 1 24.483 28.132 12.073 5 HB3 ALA 1 HB3 ALA 1 23.880 26.866 11.022 6 H ALA 2 H ALA 2 22.201 24.856 13.359 7 HA ALA 2 HA ALA 2 19.934 26.550 13.987 8 HB1 ALA 2 HB1 ALA 2 19.488 24.329 13.396 9 HB2 ALA 2 HB2 ALA 2 18.917 24.528 15.007 10 HB3 ALA 2 HB3 ALA 2 20.359 23.565 14.682 11 H ARG 3 H ARG 3 22.617 25.254 16.006 12 HA ARG 3 HA ARG 3 21.582 26.272 18.558 13 HB2 ARG 3 HB2 ARG 3 21.992 23.862 19.386 14 HB3 ARG 3 HB1 ARG 3 20.687 24.035 18.215 15 HG2 ARG 3 HG2 ARG 3 22.074 22.969 16.564 16 HG3 ARG 3 HG1 ARG 3 23.469 23.137 17.581 17 HD2 ARG 3 HD2 ARG 3 22.573 21.752 19.396 18 HD3 ARG 3 HD1 ARG 3 21.174 21.413 18.479 19 HE ARG 3 HE ARG 3 22.441 20.100 16.889 20 HH11 ARG 3 1HH1 ARG 3 24.038 18.644 16.478 21 HH12 ARG 3 2HH1 ARG 3 25.649 18.922 17.093 22 HH21 ARG 3 1HH2 ARG 3 24.609 21.197 19.549 23 HH22 ARG 3 2HH2 ARG 3 25.792 20.142 18.957 24 H DVA 4 H DVA 4 24.343 25.912 16.611 25 HA DVA 4 HA DVA 4 25.948 26.843 18.947 26 HB DVA 4 HB DVA 4 25.637 28.175 16.301 27 HG11 DVA 4 1HG1 DVA 4 25.043 29.126 18.971 28 HG12 DVA 4 2HG1 DVA 4 23.798 28.621 17.827 29 HG13 DVA 4 3HG1 DVA 4 24.876 29.956 17.364 30 HG21 DVA 4 1HG2 DVA 4 27.403 29.052 18.581 31 HG22 DVA 4 2HG2 DVA 4 27.085 29.784 16.999 32 HG23 DVA 4 3HG2 DVA 4 27.999 28.245 17.039 33 HA DPR 5 HA DPR 5 27.464 23.465 16.384 34 HB2 DPR 5 HB1 DPR 5 29.127 22.207 18.417 35 HB3 DPR 5 HB2 DPR 5 27.426 21.784 17.973 36 HG2 DPR 5 HG1 DPR 5 28.409 22.951 20.401 37 HG3 DPR 5 HG2 DPR 5 26.777 22.695 20.004 38 HD2 DPR 5 HD1 DPR 5 28.307 25.166 19.815 39 HD3 DPR 5 HD2 DPR 5 26.488 25.020 19.758 40 H ARG 6 H ARG 6 29.698 22.316 15.877 41 HA ARG 6 HA ARG 6 31.908 24.146 15.691 42 HB2 ARG 6 HB2 ARG 6 32.133 21.777 15.938 43 HB3 ARG 6 HB1 ARG 6 31.391 21.436 14.414 44 HG2 ARG 6 HG2 ARG 6 33.212 22.897 13.247 45 HG3 ARG 6 HG1 ARG 6 33.852 23.071 14.865 46 HD2 ARG 6 HD2 ARG 6 35.061 21.369 13.618 47 HD3 ARG 6 HD1 ARG 6 34.179 20.542 14.934 48 HE ARG 6 HE ARG 6 32.485 19.952 13.231 49 HH11 ARG 6 1HH1 ARG 6 32.651 18.123 11.696 50 HH12 ARG 6 2HH1 ARG 6 34.165 17.753 10.936 51 HH21 ARG 6 1HH2 ARG 6 36.009 20.030 12.712 52 HH22 ARG 6 2HH2 ARG 6 35.908 18.883 11.382 53 H DLE 7 H DLE 7 29.013 23.624 14.052 54 HA DLE 7 HA DLE 7 29.866 25.223 11.784 55 HB2 DLE 7 HB1 DLE 7 27.231 25.529 13.335 56 HB3 DLE 7 HB2 DLE 7 27.626 26.388 11.894 57 HG DLE 7 HG DLE 7 28.930 26.658 14.544 58 HD11 DLE 7 1HD1 DLE 7 30.168 28.643 13.564 59 HD12 DLE 7 2HD1 DLE 7 29.560 28.162 11.970 60 HD13 DLE 7 3HD1 DLE 7 30.707 27.128 12.824 61 HD21 DLE 7 1HD2 DLE 7 26.681 27.754 14.185 62 HD22 DLE 7 2HD2 DLE 7 27.377 28.751 12.895 63 HD23 DLE 7 3HD2 DLE 7 27.980 28.898 14.552 64 H DTH 8 H DTH 8 28.136 25.219 9.850 65 HA DTH 8 HA DTH 8 28.007 22.474 9.222 66 HB DTH 8 HB DTH 8 27.185 24.841 7.582 67 HG21 DTH 8 1HG2 DTH 8 29.636 24.508 8.030 68 HG22 DTH 8 2HG2 DTH 8 29.324 24.196 6.288 69 HG23 DTH 8 3HG2 DTH 8 29.530 22.867 7.434 70 HG1 DTH 8 HG1 DTH 8 27.130 23.419 5.991 71 HA PRO 9 HA PRO 9 23.460 21.837 9.503 72 HB2 PRO 9 HB2 PRO 9 24.352 19.783 11.353 73 HB3 PRO 9 HB1 PRO 9 23.035 19.737 10.146 74 HG2 PRO 9 HG2 PRO 9 25.305 18.520 9.369 75 HG3 PRO 9 HG1 PRO 9 24.668 19.706 8.274 76 HD2 PRO 9 HD2 PRO 9 26.904 20.415 10.250 77 HD3 PRO 9 HD1 PRO 9 26.793 20.730 8.523 78 H GLU 10 H GLU 10 25.923 22.048 12.148 79 HA GLU 10 HA GLU 10 23.942 22.064 14.184 80 HB2 GLU 10 HB2 GLU 10 26.865 22.952 14.568 81 HB3 GLU 10 HB1 GLU 10 25.714 22.406 15.712 82 HG2 GLU 10 HG2 GLU 10 25.658 20.104 14.531 83 HG3 GLU 10 HG1 GLU 10 26.912 20.709 13.529 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 23.541 24.484 11.692 2 HA ALA 1 HA ALA 1 24.499 26.531 13.231 3 HB1 ALA 1 HB1 ALA 1 22.645 26.773 10.898 4 HB2 ALA 1 HB2 ALA 1 24.315 26.559 10.871 5 HB3 ALA 1 HB3 ALA 1 23.738 28.049 11.640 6 H ALA 2 H ALA 2 21.232 25.335 13.457 7 HA ALA 2 HA ALA 2 20.272 27.533 14.749 8 HB1 ALA 2 HB1 ALA 2 19.338 24.614 15.129 9 HB2 ALA 2 HB2 ALA 2 18.906 25.750 13.824 10 HB3 ALA 2 HB3 ALA 2 18.408 26.069 15.511 11 H ARG 3 H ARG 3 22.319 25.143 16.182 12 HA ARG 3 HA ARG 3 21.521 26.115 18.851 13 HB2 ARG 3 HB2 ARG 3 21.420 23.907 19.659 14 HB3 ARG 3 HB1 ARG 3 20.413 24.147 18.182 15 HG2 ARG 3 HG2 ARG 3 22.203 22.998 16.860 16 HG3 ARG 3 HG1 ARG 3 23.241 23.025 18.203 17 HD2 ARG 3 HD2 ARG 3 21.533 21.599 19.391 18 HD3 ARG 3 HD1 ARG 3 20.545 21.512 17.896 19 HE ARG 3 HE ARG 3 23.086 20.688 17.081 20 HH11 ARG 3 1HH1 ARG 3 24.193 18.930 17.171 21 HH12 ARG 3 2HH1 ARG 3 23.746 17.564 18.141 22 HH21 ARG 3 1HH2 ARG 3 20.984 19.323 19.552 23 HH22 ARG 3 2HH2 ARG 3 21.891 17.816 19.632 24 H DVA 4 H DVA 4 24.235 25.838 16.664 25 HA DVA 4 HA DVA 4 26.012 26.510 18.935 26 HB DVA 4 HB DVA 4 25.782 27.704 16.072 27 HG11 DVA 4 1HG1 DVA 4 24.043 28.639 17.498 28 HG12 DVA 4 2HG1 DVA 4 25.421 29.723 17.161 29 HG13 DVA 4 3HG1 DVA 4 25.141 28.883 18.753 30 HG21 DVA 4 1HG2 DVA 4 27.892 28.059 18.236 31 HG22 DVA 4 2HG2 DVA 4 27.538 29.134 16.786 32 HG23 DVA 4 3HG2 DVA 4 28.094 27.616 16.480 33 HA DPR 5 HA DPR 5 28.077 23.080 17.360 34 HB2 DPR 5 HB1 DPR 5 30.000 23.672 19.583 35 HB3 DPR 5 HB2 DPR 5 29.461 22.076 19.026 36 HG2 DPR 5 HG1 DPR 5 28.265 23.206 21.183 37 HG3 DPR 5 HG2 DPR 5 27.275 22.423 19.871 38 HD2 DPR 5 HD1 DPR 5 27.855 25.381 20.308 39 HD3 DPR 5 HD2 DPR 5 26.279 24.536 19.899 40 H ARG 6 H ARG 6 29.824 22.728 16.184 41 HA ARG 6 HA ARG 6 31.978 24.518 15.718 42 HB2 ARG 6 HB2 ARG 6 32.451 22.159 15.803 43 HB3 ARG 6 HB1 ARG 6 31.327 21.821 14.486 44 HG2 ARG 6 HG2 ARG 6 32.750 23.072 12.876 45 HG3 ARG 6 HG1 ARG 6 33.753 23.570 14.274 46 HD2 ARG 6 HD2 ARG 6 34.809 21.754 13.198 47 HD3 ARG 6 HD1 ARG 6 34.160 21.201 14.799 48 HE ARG 6 HE ARG 6 32.328 20.634 12.587 49 HH11 ARG 6 1HH1 ARG 6 31.681 18.487 12.387 50 HH12 ARG 6 2HH1 ARG 6 32.906 17.273 12.428 51 HH21 ARG 6 1HH2 ARG 6 35.380 19.377 13.804 52 HH22 ARG 6 2HH2 ARG 6 34.806 17.730 13.567 53 H DLE 7 H DLE 7 29.113 23.485 13.883 54 HA DLE 7 HA DLE 7 29.952 25.226 11.713 55 HB2 DLE 7 HB1 DLE 7 27.238 25.306 12.994 56 HB3 DLE 7 HB2 DLE 7 27.546 26.136 11.414 57 HG DLE 7 HG DLE 7 29.021 26.834 13.848 58 HD11 DLE 7 1HD1 DLE 7 28.384 28.218 11.244 59 HD12 DLE 7 2HD1 DLE 7 29.990 27.740 11.898 60 HD13 DLE 7 3HD1 DLE 7 29.123 29.089 12.655 61 HD21 DLE 7 1HD2 DLE 7 27.257 28.648 14.128 62 HD22 DLE 7 2HD2 DLE 7 26.662 26.999 14.316 63 HD23 DLE 7 3HD2 DLE 7 26.237 27.906 12.890 64 H DTH 8 H DTH 8 28.671 24.763 9.656 65 HA DTH 8 HA DTH 8 28.286 21.908 9.308 66 HB DTH 8 HB DTH 8 27.618 24.262 7.365 67 HG21 DTH 8 1HG2 DTH 8 29.819 22.273 7.256 68 HG22 DTH 8 2HG2 DTH 8 29.931 24.114 7.376 69 HG23 DTH 8 3HG2 DTH 8 29.384 23.323 5.914 70 HG1 DTH 8 HG1 DTH 8 27.086 22.792 6.059 71 HA PRO 9 HA PRO 9 23.673 21.818 8.891 72 HB2 PRO 9 HB2 PRO 9 24.173 19.457 10.538 73 HB3 PRO 9 HB1 PRO 9 23.140 19.712 9.082 74 HG2 PRO 9 HG2 PRO 9 25.379 18.413 8.813 75 HG3 PRO 9 HG1 PRO 9 24.923 19.684 7.570 76 HD2 PRO 9 HD2 PRO 9 26.927 20.001 9.854 77 HD3 PRO 9 HD1 PRO 9 27.091 20.419 8.236 78 H GLU 10 H GLU 10 25.610 22.632 11.661 79 HA GLU 10 HA GLU 10 23.523 21.935 13.550 80 HB2 GLU 10 HB2 GLU 10 26.427 22.922 13.771 81 HB3 GLU 10 HB1 GLU 10 25.417 22.716 15.165 82 HG2 GLU 10 HG2 GLU 10 25.682 20.405 13.174 83 HG3 GLU 10 HG1 GLU 10 26.826 20.648 14.487 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 23.811 24.343 12.032 2 HA ALA 1 HA ALA 1 24.525 26.657 13.384 3 HB1 ALA 1 HB1 ALA 1 22.667 26.742 11.094 4 HB2 ALA 1 HB2 ALA 1 24.426 26.274 10.924 5 HB3 ALA 1 HB3 ALA 1 24.012 27.855 11.394 6 H ALA 2 H ALA 2 21.251 25.304 13.268 7 HA ALA 2 HA ALA 2 20.100 27.546 14.515 8 HB1 ALA 2 HB1 ALA 2 18.590 25.588 13.621 9 HB2 ALA 2 HB2 ALA 2 18.246 26.114 15.188 10 HB3 ALA 2 HB3 ALA 2 19.146 24.728 15.129 11 H ARG 3 H ARG 3 22.294 25.354 16.011 12 HA ARG 3 HA ARG 3 21.389 26.040 18.776 13 HB2 ARG 3 HB2 ARG 3 21.599 23.784 19.391 14 HB3 ARG 3 HB1 ARG 3 20.448 23.939 18.075 15 HG2 ARG 3 HG2 ARG 3 21.810 23.160 16.439 16 HG3 ARG 3 HG1 ARG 3 23.334 23.132 17.497 17 HD2 ARG 3 HD2 ARG 3 22.028 21.498 18.861 18 HD3 ARG 3 HD1 ARG 3 20.670 21.683 17.725 19 HE ARG 3 HE ARG 3 23.283 20.531 16.845 20 HH11 ARG 3 1HH1 ARG 3 23.080 19.050 15.143 21 HH12 ARG 3 2HH1 ARG 3 21.568 18.854 14.366 22 HH21 ARG 3 1HH2 ARG 3 19.556 20.575 16.548 23 HH22 ARG 3 2HH2 ARG 3 19.679 19.649 15.131 24 H DVA 4 H DVA 4 24.152 25.862 16.627 25 HA DVA 4 HA DVA 4 25.986 26.361 18.892 26 HB DVA 4 HB DVA 4 25.555 27.644 16.250 27 HG11 DVA 4 1HG1 DVA 4 24.221 28.598 18.122 28 HG12 DVA 4 2HG1 DVA 4 25.482 29.593 17.361 29 HG13 DVA 4 3HG1 DVA 4 25.733 28.824 19.013 30 HG21 DVA 4 1HG2 DVA 4 27.860 27.765 18.265 31 HG22 DVA 4 2HG2 DVA 4 27.642 29.061 17.008 32 HG23 DVA 4 3HG2 DVA 4 27.974 27.462 16.480 33 HA DPR 5 HA DPR 5 28.031 23.011 16.424 34 HB2 DPR 5 HB1 DPR 5 29.855 22.136 18.537 35 HB3 DPR 5 HB2 DPR 5 28.435 21.462 17.893 36 HG2 DPR 5 HG1 DPR 5 29.049 23.147 20.257 37 HG3 DPR 5 HG2 DPR 5 27.802 21.849 20.105 38 HD2 DPR 5 HD1 DPR 5 27.507 24.690 19.915 39 HD3 DPR 5 HD2 DPR 5 26.254 23.430 19.368 40 H ARG 6 H ARG 6 30.330 22.550 16.075 41 HA ARG 6 HA ARG 6 31.894 24.946 15.751 42 HB2 ARG 6 HB2 ARG 6 32.919 22.615 15.996 43 HB3 ARG 6 HB1 ARG 6 32.085 22.210 14.464 44 HG2 ARG 6 HG2 ARG 6 33.676 23.293 13.278 45 HG3 ARG 6 HG1 ARG 6 33.973 24.437 14.646 46 HD2 ARG 6 HD2 ARG 6 35.929 23.232 14.098 47 HD3 ARG 6 HD1 ARG 6 35.432 22.408 15.571 48 HE ARG 6 HE ARG 6 34.512 21.110 13.063 49 HH11 ARG 6 1HH1 ARG 6 34.719 18.973 13.320 50 HH12 ARG 6 2HH1 ARG 6 35.931 18.126 14.245 51 HH21 ARG 6 1HH2 ARG 6 37.062 21.107 15.729 52 HH22 ARG 6 2HH2 ARG 6 37.267 19.399 15.497 53 H DLE 7 H DLE 7 29.350 23.520 13.927 54 HA DLE 7 HA DLE 7 30.007 25.354 11.669 55 HB2 DLE 7 HB1 DLE 7 27.409 25.302 13.161 56 HB3 DLE 7 HB2 DLE 7 27.522 25.934 11.564 57 HG DLE 7 HG DLE 7 28.988 27.041 14.086 58 HD11 DLE 7 1HD1 DLE 7 28.762 28.287 11.279 59 HD12 DLE 7 2HD1 DLE 7 30.248 27.481 11.926 60 HD13 DLE 7 3HD1 DLE 7 29.621 28.967 12.567 61 HD21 DLE 7 1HD2 DLE 7 27.352 28.747 13.801 62 HD22 DLE 7 2HD2 DLE 7 26.671 27.165 14.311 63 HD23 DLE 7 3HD2 DLE 7 26.447 27.774 12.667 64 H DTH 8 H DTH 8 28.793 24.726 9.722 65 HA DTH 8 HA DTH 8 28.145 21.883 9.520 66 HB DTH 8 HB DTH 8 27.558 24.082 7.457 67 HG21 DTH 8 1HG2 DTH 8 30.028 23.516 7.788 68 HG22 DTH 8 2HG2 DTH 8 29.318 23.344 6.171 69 HG23 DTH 8 3HG2 DTH 8 29.486 21.854 7.162 70 HG1 DTH 8 HG1 DTH 8 26.888 22.485 6.149 71 HA PRO 9 HA PRO 9 23.691 22.260 9.340 72 HB2 PRO 9 HB2 PRO 9 23.578 19.568 10.544 73 HB3 PRO 9 HB1 PRO 9 22.810 20.327 9.115 74 HG2 PRO 9 HG2 PRO 9 25.007 18.499 9.184 75 HG3 PRO 9 HG1 PRO 9 24.830 19.787 7.859 76 HD2 PRO 9 HD2 PRO 9 26.496 19.795 10.307 77 HD3 PRO 9 HD1 PRO 9 26.873 20.426 8.741 78 H GLU 10 H GLU 10 25.704 22.255 12.206 79 HA GLU 10 HA GLU 10 23.740 21.866 14.121 80 HB2 GLU 10 HB2 GLU 10 26.404 22.995 14.158 81 HB3 GLU 10 HB1 GLU 10 25.523 22.848 15.627 82 HG2 GLU 10 HG2 GLU 10 26.457 20.632 13.712 83 HG3 GLU 10 HG1 GLU 10 27.221 20.973 15.204 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 24.204 24.657 12.129 2 HA ALA 1 HA ALA 1 24.682 26.878 13.821 3 HB1 ALA 1 HB1 ALA 1 23.243 26.654 11.123 4 HB2 ALA 1 HB2 ALA 1 24.951 26.850 11.264 5 HB3 ALA 1 HB3 ALA 1 23.822 28.156 11.826 6 H ALA 2 H ALA 2 21.631 25.029 13.171 7 HA ALA 2 HA ALA 2 19.778 26.862 14.322 8 HB1 ALA 2 HB1 ALA 2 19.126 24.925 13.214 9 HB2 ALA 2 HB2 ALA 2 18.576 24.982 14.763 10 HB3 ALA 2 HB3 ALA 2 20.041 23.893 14.472 11 H ARG 3 H ARG 3 22.467 25.284 15.941 12 HA ARG 3 HA ARG 3 21.221 25.870 18.580 13 HB2 ARG 3 HB2 ARG 3 21.677 23.753 19.436 14 HB3 ARG 3 HB1 ARG 3 20.417 23.849 18.247 15 HG2 ARG 3 HG2 ARG 3 22.060 23.025 16.436 16 HG3 ARG 3 HG1 ARG 3 23.216 22.833 17.649 17 HD2 ARG 3 HD2 ARG 3 22.157 21.119 18.750 18 HD3 ARG 3 HD1 ARG 3 20.598 21.307 17.905 19 HE ARG 3 HE ARG 3 22.969 19.890 16.992 20 HH11 ARG 3 1HH1 ARG 3 23.101 19.155 14.867 21 HH12 ARG 3 2HH1 ARG 3 21.626 19.225 13.871 22 HH21 ARG 3 1HH2 ARG 3 19.981 21.457 15.946 23 HH22 ARG 3 2HH2 ARG 3 20.006 20.741 14.365 24 H DVA 4 H DVA 4 24.158 25.440 16.695 25 HA DVA 4 HA DVA 4 25.845 26.539 18.847 26 HB DVA 4 HB DVA 4 25.524 27.700 16.097 27 HG11 DVA 4 1HG1 DVA 4 25.037 29.073 18.700 28 HG12 DVA 4 2HG1 DVA 4 23.718 28.260 17.661 29 HG13 DVA 4 3HG1 DVA 4 24.702 29.619 17.096 30 HG21 DVA 4 1HG2 DVA 4 27.354 28.403 18.287 31 HG22 DVA 4 2HG2 DVA 4 27.061 29.392 16.808 32 HG23 DVA 4 3HG2 DVA 4 27.865 27.810 16.659 33 HA DPR 5 HA DPR 5 28.083 23.087 17.330 34 HB2 DPR 5 HB1 DPR 5 30.090 23.972 19.336 35 HB3 DPR 5 HB2 DPR 5 29.715 22.341 18.839 36 HG2 DPR 5 HG1 DPR 5 28.471 23.317 21.033 37 HG3 DPR 5 HG2 DPR 5 27.389 22.524 19.876 38 HD2 DPR 5 HD1 DPR 5 27.671 25.412 20.274 39 HD3 DPR 5 HD2 DPR 5 26.269 24.380 19.716 40 H ARG 6 H ARG 6 30.081 22.631 16.275 41 HA ARG 6 HA ARG 6 32.009 24.617 15.565 42 HB2 ARG 6 HB2 ARG 6 32.355 22.270 16.236 43 HB3 ARG 6 HB1 ARG 6 31.768 21.632 14.681 44 HG2 ARG 6 HG2 ARG 6 33.766 22.619 13.615 45 HG3 ARG 6 HG1 ARG 6 34.241 23.398 15.147 46 HD2 ARG 6 HD2 ARG 6 35.443 21.373 14.921 47 HD3 ARG 6 HD1 ARG 6 34.325 21.220 16.180 48 HE ARG 6 HE ARG 6 33.589 20.169 13.482 49 HH11 ARG 6 1HH1 ARG 6 33.474 18.036 12.941 50 HH12 ARG 6 2HH1 ARG 6 34.049 16.882 14.174 51 HH21 ARG 6 1HH2 ARG 6 34.865 18.954 16.661 52 HH22 ARG 6 2HH2 ARG 6 34.702 17.375 15.993 53 H DLE 7 H DLE 7 29.205 23.574 13.997 54 HA DLE 7 HA DLE 7 30.049 24.974 11.568 55 HB2 DLE 7 HB1 DLE 7 27.404 25.321 12.957 56 HB3 DLE 7 HB2 DLE 7 27.984 26.057 11.431 57 HG DLE 7 HG DLE 7 29.361 26.432 14.089 58 HD11 DLE 7 1HD1 DLE 7 29.362 28.180 11.499 59 HD12 DLE 7 2HD1 DLE 7 30.732 27.260 12.133 60 HD13 DLE 7 3HD1 DLE 7 30.168 28.601 13.056 61 HD21 DLE 7 1HD2 DLE 7 28.327 28.552 14.351 62 HD22 DLE 7 2HD2 DLE 7 27.021 27.532 14.168 63 HD23 DLE 7 3HD2 DLE 7 27.522 28.526 12.774 64 H DTH 8 H DTH 8 28.817 24.595 9.732 65 HA DTH 8 HA DTH 8 28.015 21.867 9.262 66 HB DTH 8 HB DTH 8 27.622 24.338 7.440 67 HG21 DTH 8 1HG2 DTH 8 29.981 23.527 7.610 68 HG22 DTH 8 2HG2 DTH 8 29.210 23.180 6.024 69 HG23 DTH 8 3HG2 DTH 8 29.370 21.878 7.253 70 HG1 DTH 8 HG1 DTH 8 26.103 23.124 6.956 71 HA PRO 9 HA PRO 9 23.418 22.711 9.396 72 HB2 PRO 9 HB2 PRO 9 23.442 20.126 10.756 73 HB3 PRO 9 HB1 PRO 9 22.387 20.642 9.365 74 HG2 PRO 9 HG2 PRO 9 24.465 18.842 9.271 75 HG3 PRO 9 HG1 PRO 9 24.102 19.988 7.838 76 HD2 PRO 9 HD2 PRO 9 26.326 20.150 9.884 77 HD3 PRO 9 HD1 PRO 9 26.277 20.652 8.271 78 H GLU 10 H GLU 10 25.620 22.218 11.941 79 HA GLU 10 HA GLU 10 24.009 22.062 14.304 80 HB2 GLU 10 HB2 GLU 10 26.703 23.290 13.878 81 HB3 GLU 10 HB1 GLU 10 25.927 22.948 15.423 82 HG2 GLU 10 HG2 GLU 10 26.780 20.777 13.366 83 HG3 GLU 10 HG1 GLU 10 27.613 21.208 14.779 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 23.874 24.586 12.035 2 HA ALA 1 HA ALA 1 24.561 26.826 13.576 3 HB1 ALA 1 HB1 ALA 1 22.507 27.216 11.487 4 HB2 ALA 1 HB2 ALA 1 24.018 26.471 10.968 5 HB3 ALA 1 HB3 ALA 1 24.050 28.042 11.764 6 H ALA 2 H ALA 2 21.516 25.252 13.819 7 HA ALA 2 HA ALA 2 20.065 27.604 14.885 8 HB1 ALA 2 HB1 ALA 2 19.377 24.695 14.352 9 HB2 ALA 2 HB2 ALA 2 19.021 26.158 13.323 10 HB3 ALA 2 HB3 ALA 2 18.271 25.894 14.928 11 H ARG 3 H ARG 3 22.017 25.140 16.203 12 HA ARG 3 HA ARG 3 21.456 26.130 18.963 13 HB2 ARG 3 HB2 ARG 3 21.899 23.908 19.747 14 HB3 ARG 3 HB1 ARG 3 20.570 23.877 18.619 15 HG2 ARG 3 HG2 ARG 3 21.701 22.993 16.893 16 HG3 ARG 3 HG1 ARG 3 23.256 22.980 17.580 17 HD2 ARG 3 HD2 ARG 3 22.515 21.443 19.318 18 HD3 ARG 3 HD1 ARG 3 20.851 21.372 18.585 19 HE ARG 3 HE ARG 3 23.295 20.625 17.098 20 HH11 ARG 3 1HH1 ARG 3 23.225 18.868 15.749 21 HH12 ARG 3 2HH1 ARG 3 22.230 17.538 16.205 22 HH21 ARG 3 1HH2 ARG 3 20.350 19.147 18.666 23 HH22 ARG 3 2HH2 ARG 3 20.414 17.804 17.586 24 H DVA 4 H DVA 4 23.790 25.668 16.554 25 HA DVA 4 HA DVA 4 25.970 26.306 18.579 26 HB DVA 4 HB DVA 4 25.474 27.593 15.871 27 HG11 DVA 4 1HG1 DVA 4 25.018 28.909 18.548 28 HG12 DVA 4 2HG1 DVA 4 23.823 28.367 17.340 29 HG13 DVA 4 3HG1 DVA 4 25.010 29.597 16.905 30 HG21 DVA 4 1HG2 DVA 4 27.928 27.497 16.399 31 HG22 DVA 4 2HG2 DVA 4 27.442 28.177 17.997 32 HG23 DVA 4 3HG2 DVA 4 27.243 29.089 16.506 33 HA DPR 5 HA DPR 5 27.926 22.782 16.468 34 HB2 DPR 5 HB1 DPR 5 29.564 23.117 18.984 35 HB3 DPR 5 HB2 DPR 5 28.897 21.622 18.193 36 HG2 DPR 5 HG1 DPR 5 27.692 22.596 20.410 37 HG3 DPR 5 HG2 DPR 5 26.781 21.933 19.072 38 HD2 DPR 5 HD1 DPR 5 27.392 24.864 19.678 39 HD3 DPR 5 HD2 DPR 5 25.899 24.196 19.224 40 H ARG 6 H ARG 6 29.944 22.587 15.625 41 HA ARG 6 HA ARG 6 31.981 24.792 15.800 42 HB2 ARG 6 HB2 ARG 6 32.049 22.183 14.235 43 HB3 ARG 6 HB1 ARG 6 33.269 23.372 14.300 44 HG2 ARG 6 HG2 ARG 6 33.472 23.005 16.778 45 HG3 ARG 6 HG1 ARG 6 32.221 21.764 16.657 46 HD2 ARG 6 HD2 ARG 6 35.005 21.723 15.445 47 HD3 ARG 6 HD1 ARG 6 34.367 20.621 16.621 48 HE ARG 6 HE ARG 6 34.273 20.565 13.762 49 HH11 ARG 6 1HH1 ARG 6 33.665 18.472 12.964 50 HH12 ARG 6 2HH1 ARG 6 32.649 17.353 13.842 51 HH21 ARG 6 1HH2 ARG 6 32.535 19.307 16.744 52 HH22 ARG 6 2HH2 ARG 6 32.066 17.893 15.787 53 H DLE 7 H DLE 7 29.413 23.977 13.992 54 HA DLE 7 HA DLE 7 30.334 25.165 11.394 55 HB2 DLE 7 HB1 DLE 7 27.696 25.740 12.852 56 HB3 DLE 7 HB2 DLE 7 28.051 26.257 11.257 57 HG DLE 7 HG DLE 7 29.461 26.998 13.772 58 HD11 DLE 7 1HD1 DLE 7 30.950 27.473 11.726 59 HD12 DLE 7 2HD1 DLE 7 30.416 28.974 12.393 60 HD13 DLE 7 3HD1 DLE 7 29.567 28.175 10.941 61 HD21 DLE 7 1HD2 DLE 7 27.328 27.756 13.860 62 HD22 DLE 7 2HD2 DLE 7 27.606 28.645 12.247 63 HD23 DLE 7 3HD2 DLE 7 28.428 29.076 13.808 64 H DTH 8 H DTH 8 28.541 24.886 9.615 65 HA DTH 8 HA DTH 8 28.372 22.003 9.470 66 HB DTH 8 HB DTH 8 27.649 24.068 7.461 67 HG21 DTH 8 1HG2 DTH 8 29.378 22.959 6.120 68 HG22 DTH 8 2HG2 DTH 8 29.903 22.013 7.550 69 HG23 DTH 8 3HG2 DTH 8 30.112 23.754 7.560 70 HG1 DTH 8 HG1 DTH 8 27.275 22.449 6.051 71 HA PRO 9 HA PRO 9 23.855 21.569 9.161 72 HB2 PRO 9 HB2 PRO 9 24.533 19.657 11.417 73 HB3 PRO 9 HB1 PRO 9 23.414 19.406 10.081 74 HG2 PRO 9 HG2 PRO 9 25.842 18.314 10.032 75 HG3 PRO 9 HG1 PRO 9 25.157 19.007 8.572 76 HD2 PRO 9 HD2 PRO 9 27.141 20.188 10.630 77 HD3 PRO 9 HD1 PRO 9 27.196 20.388 8.867 78 H GLU 10 H GLU 10 25.695 22.153 12.192 79 HA GLU 10 HA GLU 10 23.651 22.035 14.135 80 HB2 GLU 10 HB2 GLU 10 26.485 23.141 13.931 81 HB3 GLU 10 HB1 GLU 10 25.556 22.816 15.452 82 HG2 GLU 10 HG2 GLU 10 26.362 20.786 13.307 83 HG3 GLU 10 HG1 GLU 10 27.075 21.003 14.900 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 23.730 24.442 12.003 2 HA ALA 1 HA ALA 1 24.373 27.001 12.993 3 HB1 ALA 1 HB1 ALA 1 22.318 26.194 11.003 4 HB2 ALA 1 HB2 ALA 1 24.014 26.346 10.667 5 HB3 ALA 1 HB3 ALA 1 23.090 27.794 11.146 6 H ALA 2 H ALA 2 21.477 25.259 13.626 7 HA ALA 2 HA ALA 2 20.063 27.634 14.704 8 HB1 ALA 2 HB1 ALA 2 19.071 24.811 14.482 9 HB2 ALA 2 HB2 ALA 2 18.665 26.201 13.475 10 HB3 ALA 2 HB3 ALA 2 18.209 26.125 15.189 11 H ARG 3 H ARG 3 22.287 25.436 16.081 12 HA ARG 3 HA ARG 3 21.615 26.332 18.779 13 HB2 ARG 3 HB2 ARG 3 21.406 23.979 19.580 14 HB3 ARG 3 HB1 ARG 3 20.475 24.143 18.099 15 HG2 ARG 3 HG2 ARG 3 22.300 23.336 16.742 16 HG3 ARG 3 HG1 ARG 3 23.260 23.068 18.215 17 HD2 ARG 3 HD2 ARG 3 21.230 21.479 18.948 18 HD3 ARG 3 HD1 ARG 3 20.476 21.966 17.480 19 HE ARG 3 HE ARG 3 23.035 20.699 16.915 20 HH11 ARG 3 1HH1 ARG 3 22.733 19.049 15.506 21 HH12 ARG 3 2HH1 ARG 3 21.329 17.999 15.437 22 HH21 ARG 3 1HH2 ARG 3 19.519 19.991 17.581 23 HH22 ARG 3 2HH2 ARG 3 19.591 18.555 16.628 24 H DVA 4 H DVA 4 24.275 25.584 16.672 25 HA DVA 4 HA DVA 4 26.120 26.108 18.898 26 HB DVA 4 HB DVA 4 25.982 27.651 16.337 27 HG11 DVA 4 1HG1 DVA 4 25.278 28.255 19.296 28 HG12 DVA 4 2HG1 DVA 4 24.244 28.478 17.880 29 HG13 DVA 4 3HG1 DVA 4 25.652 29.558 18.150 30 HG21 DVA 4 1HG2 DVA 4 28.252 27.315 17.044 31 HG22 DVA 4 2HG2 DVA 4 27.759 27.839 18.726 32 HG23 DVA 4 3HG2 DVA 4 27.650 28.987 17.397 33 HA DPR 5 HA DPR 5 28.140 23.103 16.095 34 HB2 DPR 5 HB1 DPR 5 29.389 21.534 17.912 35 HB3 DPR 5 HB2 DPR 5 27.616 21.638 17.983 36 HG2 DPR 5 HG1 DPR 5 29.686 23.297 19.464 37 HG3 DPR 5 HG2 DPR 5 28.353 22.345 20.165 38 HD2 DPR 5 HD1 DPR 5 28.032 25.044 19.796 39 HD3 DPR 5 HD2 DPR 5 26.753 23.925 19.648 40 H ARG 6 H ARG 6 30.186 22.534 15.608 41 HA ARG 6 HA ARG 6 32.124 24.806 15.588 42 HB2 ARG 6 HB2 ARG 6 31.914 22.256 14.011 43 HB3 ARG 6 HB1 ARG 6 33.292 23.437 13.971 44 HG2 ARG 6 HG2 ARG 6 33.473 22.892 16.444 45 HG3 ARG 6 HG1 ARG 6 32.455 21.573 16.173 46 HD2 ARG 6 HD2 ARG 6 34.922 21.930 14.454 47 HD3 ARG 6 HD1 ARG 6 34.982 21.020 15.965 48 HE ARG 6 HE ARG 6 33.967 20.141 13.426 49 HH11 ARG 6 1HH1 ARG 6 32.966 17.980 13.329 50 HH12 ARG 6 2HH1 ARG 6 32.857 17.059 14.820 51 HH21 ARG 6 1HH2 ARG 6 33.935 19.552 16.929 52 HH22 ARG 6 2HH2 ARG 6 33.303 17.947 16.800 53 H DLE 7 H DLE 7 29.111 23.965 14.261 54 HA DLE 7 HA DLE 7 29.713 25.378 11.757 55 HB2 DLE 7 HB1 DLE 7 27.229 25.661 13.430 56 HB3 DLE 7 HB2 DLE 7 27.421 26.380 11.775 57 HG DLE 7 HG DLE 7 29.075 27.303 14.096 58 HD11 DLE 7 1HD1 DLE 7 30.252 27.456 11.968 59 HD12 DLE 7 2HD1 DLE 7 29.746 28.978 12.702 60 HD13 DLE 7 3HD1 DLE 7 28.880 28.198 11.216 61 HD21 DLE 7 1HD2 DLE 7 26.753 27.881 14.432 62 HD22 DLE 7 2HD2 DLE 7 26.716 28.764 12.918 63 HD23 DLE 7 3HD2 DLE 7 27.946 29.141 14.132 64 H DTH 8 H DTH 8 28.683 24.737 9.960 65 HA DTH 8 HA DTH 8 28.396 21.893 9.846 66 HB DTH 8 HB DTH 8 28.323 23.896 7.665 67 HG21 DTH 8 1HG2 DTH 8 30.558 23.606 8.629 68 HG22 DTH 8 2HG2 DTH 8 30.574 22.903 7.065 69 HG23 DTH 8 3HG2 DTH 8 30.395 21.831 8.478 70 HG1 DTH 8 HG1 DTH 8 27.900 22.226 6.347 71 HA PRO 9 HA PRO 9 23.935 22.029 9.340 72 HB2 PRO 9 HB2 PRO 9 23.197 19.498 10.275 73 HB3 PRO 9 HB1 PRO 9 23.823 19.980 8.675 74 HG2 PRO 9 HG2 PRO 9 25.230 19.084 11.145 75 HG3 PRO 9 HG1 PRO 9 25.422 18.293 9.512 76 HD2 PRO 9 HD2 PRO 9 27.352 20.092 10.316 77 HD3 PRO 9 HD1 PRO 9 26.672 20.080 8.607 78 H GLU 10 H GLU 10 25.655 22.688 12.018 79 HA GLU 10 HA GLU 10 23.463 22.156 13.981 80 HB2 GLU 10 HB2 GLU 10 26.377 22.940 14.492 81 HB3 GLU 10 HB1 GLU 10 25.161 22.553 15.655 82 HG2 GLU 10 HG2 GLU 10 26.011 20.569 13.516 83 HG3 GLU 10 HG1 GLU 10 26.754 20.822 15.154 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 23.804 25.131 11.991 2 HA ALA 1 HA ALA 1 24.422 27.199 13.732 3 HB1 ALA 1 HB1 ALA 1 22.678 27.136 11.184 4 HB2 ALA 1 HB2 ALA 1 24.448 27.525 11.346 5 HB3 ALA 1 HB3 ALA 1 23.155 28.595 12.048 6 H ALA 2 H ALA 2 21.417 25.511 13.505 7 HA ALA 2 HA ALA 2 19.959 27.400 14.934 8 HB1 ALA 2 HB1 ALA 2 18.343 25.249 15.051 9 HB2 ALA 2 HB2 ALA 2 19.807 24.390 14.561 10 HB3 ALA 2 HB3 ALA 2 19.055 25.587 13.420 11 H ARG 3 H ARG 3 22.349 25.548 16.128 12 HA ARG 3 HA ARG 3 21.288 25.713 18.842 13 HB2 ARG 3 HB2 ARG 3 21.545 23.464 19.503 14 HB3 ARG 3 HB1 ARG 3 20.359 23.667 18.240 15 HG2 ARG 3 HG2 ARG 3 21.987 22.861 16.596 16 HG3 ARG 3 HG1 ARG 3 23.187 22.707 17.794 17 HD2 ARG 3 HD2 ARG 3 21.560 21.243 19.142 18 HD3 ARG 3 HD1 ARG 3 20.452 21.233 17.781 19 HE ARG 3 HE ARG 3 23.117 20.308 16.949 20 HH11 ARG 3 1HH1 ARG 3 23.219 18.566 15.746 21 HH12 ARG 3 2HH1 ARG 3 22.036 17.304 15.892 22 HH21 ARG 3 1HH2 ARG 3 20.000 18.993 18.050 23 HH22 ARG 3 2HH2 ARG 3 20.441 17.443 17.342 24 H DVA 4 H DVA 4 24.151 25.099 16.757 25 HA DVA 4 HA DVA 4 25.887 26.403 18.661 26 HB DVA 4 HB DVA 4 24.978 27.356 15.979 27 HG11 DVA 4 1HG1 DVA 4 24.152 29.305 17.282 28 HG12 DVA 4 2HG1 DVA 4 24.373 28.541 18.723 29 HG13 DVA 4 3HG1 DVA 4 23.234 27.811 17.461 30 HG21 DVA 4 1HG2 DVA 4 26.274 29.439 16.557 31 HG22 DVA 4 2HG2 DVA 4 27.279 28.057 16.219 32 HG23 DVA 4 3HG2 DVA 4 27.027 28.584 17.913 33 HA DPR 5 HA DPR 5 27.917 23.221 16.360 34 HB2 DPR 5 HB1 DPR 5 29.646 22.101 18.205 35 HB3 DPR 5 HB2 DPR 5 27.980 21.750 18.070 36 HG2 DPR 5 HG1 DPR 5 29.280 23.959 19.716 37 HG3 DPR 5 HG2 DPR 5 28.058 22.732 20.335 38 HD2 DPR 5 HD1 DPR 5 27.279 25.328 19.689 39 HD3 DPR 5 HD2 DPR 5 26.336 23.896 19.387 40 H ARG 6 H ARG 6 30.205 22.549 15.706 41 HA ARG 6 HA ARG 6 32.265 24.708 15.592 42 HB2 ARG 6 HB2 ARG 6 31.782 22.130 14.037 43 HB3 ARG 6 HB1 ARG 6 33.025 23.202 13.684 44 HG2 ARG 6 HG2 ARG 6 33.768 23.071 16.068 45 HG3 ARG 6 HG1 ARG 6 32.892 21.582 16.207 46 HD2 ARG 6 HD2 ARG 6 34.974 22.113 13.978 47 HD3 ARG 6 HD1 ARG 6 35.309 21.272 15.541 48 HE ARG 6 HE ARG 6 34.477 20.206 13.130 49 HH11 ARG 6 1HH1 ARG 6 34.403 18.082 12.960 50 HH12 ARG 6 2HH1 ARG 6 34.180 17.106 14.390 51 HH21 ARG 6 1HH2 ARG 6 33.579 19.671 16.593 52 HH22 ARG 6 2HH2 ARG 6 33.722 17.943 16.250 53 H DLE 7 H DLE 7 29.369 23.539 13.863 54 HA DLE 7 HA DLE 7 30.063 25.102 11.495 55 HB2 DLE 7 HB1 DLE 7 27.409 25.239 12.931 56 HB3 DLE 7 HB2 DLE 7 27.565 25.665 11.273 57 HG DLE 7 HG DLE 7 29.115 27.043 13.423 58 HD11 DLE 7 1HD1 DLE 7 29.274 28.916 11.548 59 HD12 DLE 7 2HD1 DLE 7 28.719 27.588 10.500 60 HD13 DLE 7 3HD1 DLE 7 30.168 27.334 11.470 61 HD21 DLE 7 1HD2 DLE 7 26.788 27.207 13.869 62 HD22 DLE 7 2HD2 DLE 7 26.426 27.739 12.191 63 HD23 DLE 7 3HD2 DLE 7 27.328 28.783 13.162 64 H DTH 8 H DTH 8 28.916 24.239 9.542 65 HA DTH 8 HA DTH 8 28.391 21.439 9.850 66 HB DTH 8 HB DTH 8 28.192 23.360 7.439 67 HG21 DTH 8 1HG2 DTH 8 30.216 21.146 7.802 68 HG22 DTH 8 2HG2 DTH 8 30.442 22.806 8.351 69 HG23 DTH 8 3HG2 DTH 8 30.172 22.576 6.644 70 HG1 DTH 8 HG1 DTH 8 28.254 21.081 6.578 71 HA PRO 9 HA PRO 9 23.710 22.312 9.305 72 HB2 PRO 9 HB2 PRO 9 22.751 20.211 10.543 73 HB3 PRO 9 HB1 PRO 9 23.551 20.036 8.912 74 HG2 PRO 9 HG2 PRO 9 24.648 19.502 11.589 75 HG3 PRO 9 HG1 PRO 9 24.643 18.387 10.196 76 HD2 PRO 9 HD2 PRO 9 26.862 19.950 10.629 77 HD3 PRO 9 HD1 PRO 9 26.152 19.767 8.953 78 H GLU 10 H GLU 10 25.738 22.663 11.953 79 HA GLU 10 HA GLU 10 23.585 22.565 13.843 80 HB2 GLU 10 HB2 GLU 10 26.462 23.331 14.578 81 HB3 GLU 10 HB1 GLU 10 25.181 22.866 15.579 82 HG2 GLU 10 HG2 GLU 10 26.093 20.905 13.445 83 HG3 GLU 10 HG1 GLU 10 26.831 21.060 15.058 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 23.729 24.865 11.889 2 HA ALA 1 HA ALA 1 24.267 27.116 13.580 3 HB1 ALA 1 HB1 ALA 1 22.571 27.265 11.110 4 HB2 ALA 1 HB2 ALA 1 24.318 27.337 11.174 5 HB3 ALA 1 HB3 ALA 1 23.413 28.639 11.967 6 H ALA 2 H ALA 2 21.335 25.393 13.212 7 HA ALA 2 HA ALA 2 19.712 27.095 14.677 8 HB1 ALA 2 HB1 ALA 2 18.381 25.172 15.345 9 HB2 ALA 2 HB2 ALA 2 19.599 24.036 14.763 10 HB3 ALA 2 HB3 ALA 2 18.793 25.192 13.670 11 H ARG 3 H ARG 3 22.401 25.437 16.055 12 HA ARG 3 HA ARG 3 21.517 25.892 18.790 13 HB2 ARG 3 HB2 ARG 3 21.977 23.585 19.497 14 HB3 ARG 3 HB1 ARG 3 20.570 23.761 18.455 15 HG2 ARG 3 HG2 ARG 3 21.750 22.820 16.566 16 HG3 ARG 3 HG1 ARG 3 23.233 22.780 17.448 17 HD2 ARG 3 HD2 ARG 3 21.930 21.156 19.134 18 HD3 ARG 3 HD1 ARG 3 20.622 21.318 18.016 19 HE ARG 3 HE ARG 3 23.225 20.466 16.957 20 HH11 ARG 3 1HH1 ARG 3 23.347 18.600 15.826 21 HH12 ARG 3 2HH1 ARG 3 22.197 17.316 16.095 22 HH21 ARG 3 1HH2 ARG 3 20.066 19.299 18.033 23 HH22 ARG 3 2HH2 ARG 3 20.323 17.723 17.246 24 H DVA 4 H DVA 4 24.091 25.335 16.775 25 HA DVA 4 HA DVA 4 26.126 26.636 18.639 26 HB DVA 4 HB DVA 4 25.557 27.308 15.747 27 HG11 DVA 4 1HG1 DVA 4 24.771 29.412 16.590 28 HG12 DVA 4 2HG1 DVA 4 25.244 29.032 18.259 29 HG13 DVA 4 3HG1 DVA 4 23.884 28.179 17.566 30 HG21 DVA 4 1HG2 DVA 4 27.290 28.887 16.038 31 HG22 DVA 4 2HG2 DVA 4 27.921 27.367 16.358 32 HG23 DVA 4 3HG2 DVA 4 27.572 28.450 17.703 33 HA DPR 5 HA DPR 5 28.064 22.874 17.022 34 HB2 DPR 5 HB1 DPR 5 29.778 23.304 19.420 35 HB3 DPR 5 HB2 DPR 5 28.943 21.808 18.861 36 HG2 DPR 5 HG1 DPR 5 28.116 23.278 21.059 37 HG3 DPR 5 HG2 DPR 5 26.935 22.493 20.022 38 HD2 DPR 5 HD1 DPR 5 27.870 25.317 20.093 39 HD3 DPR 5 HD2 DPR 5 26.216 24.598 19.829 40 H ARG 6 H ARG 6 29.739 22.646 15.765 41 HA ARG 6 HA ARG 6 31.830 24.633 15.732 42 HB2 ARG 6 HB2 ARG 6 31.832 21.838 14.710 43 HB3 ARG 6 HB1 ARG 6 33.122 22.954 14.506 44 HG2 ARG 6 HG2 ARG 6 33.656 23.161 16.834 45 HG3 ARG 6 HG1 ARG 6 32.124 22.330 17.224 46 HD2 ARG 6 HD2 ARG 6 34.416 21.061 15.526 47 HD3 ARG 6 HD1 ARG 6 34.268 20.830 17.290 48 HE ARG 6 HE ARG 6 32.558 19.772 15.269 49 HH11 ARG 6 1HH1 ARG 6 31.262 17.956 15.901 50 HH12 ARG 6 2HH1 ARG 6 30.914 17.694 17.593 51 HH21 ARG 6 1HH2 ARG 6 32.717 20.392 18.854 52 HH22 ARG 6 2HH2 ARG 6 31.782 18.946 19.096 53 H DLE 7 H DLE 7 28.925 24.432 13.838 54 HA DLE 7 HA DLE 7 30.473 24.658 11.344 55 HB2 DLE 7 HB1 DLE 7 29.012 26.441 10.720 56 HB3 DLE 7 HB2 DLE 7 30.361 26.805 11.893 57 HG DLE 7 HG DLE 7 28.831 26.810 13.708 58 HD11 DLE 7 1HD1 DLE 7 27.481 28.649 13.391 59 HD12 DLE 7 2HD1 DLE 7 27.484 28.460 11.575 60 HD13 DLE 7 3HD1 DLE 7 28.985 28.904 12.399 61 HD21 DLE 7 1HD2 DLE 7 26.484 26.207 11.884 62 HD22 DLE 7 2HD2 DLE 7 26.547 26.716 13.643 63 HD23 DLE 7 3HD2 DLE 7 27.217 25.195 13.245 64 H DTH 8 H DTH 8 29.029 24.452 9.415 65 HA DTH 8 HA DTH 8 28.138 21.786 9.785 66 HB DTH 8 HB DTH 8 28.224 23.622 7.394 67 HG21 DTH 8 1HG2 DTH 8 29.598 20.996 7.655 68 HG22 DTH 8 2HG2 DTH 8 30.355 22.452 8.224 69 HG23 DTH 8 3HG2 DTH 8 30.003 22.347 6.540 70 HG1 DTH 8 HG1 DTH 8 27.532 22.051 6.138 71 HA PRO 9 HA PRO 9 23.731 22.105 9.248 72 HB2 PRO 9 HB2 PRO 9 22.851 19.825 10.311 73 HB3 PRO 9 HB1 PRO 9 23.640 19.907 8.689 74 HG2 PRO 9 HG2 PRO 9 25.095 19.152 11.158 75 HG3 PRO 9 HG1 PRO 9 25.189 18.417 9.556 76 HD2 PRO 9 HD2 PRO 9 26.945 20.116 10.537 77 HD3 PRO 9 HD1 PRO 9 26.402 20.012 8.743 78 H GLU 10 H GLU 10 25.435 22.984 11.712 79 HA GLU 10 HA GLU 10 23.542 22.466 13.845 80 HB2 GLU 10 HB2 GLU 10 26.487 23.118 14.014 81 HB3 GLU 10 HB1 GLU 10 25.533 22.687 15.419 82 HG2 GLU 10 HG2 GLU 10 26.036 20.794 13.098 83 HG3 GLU 10 HG1 GLU 10 26.890 20.794 14.609 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 22.975 24.878 11.742 2 HA ALA 1 HA ALA 1 23.867 26.952 13.333 3 HB1 ALA 1 HB1 ALA 1 23.786 27.468 11.137 4 HB2 ALA 1 HB2 ALA 1 22.824 28.605 12.035 5 HB3 ALA 1 HB3 ALA 1 22.004 27.333 11.061 6 H ALA 2 H ALA 2 21.031 25.344 13.844 7 HA ALA 2 HA ALA 2 19.779 27.523 15.281 8 HB1 ALA 2 HB1 ALA 2 18.401 25.818 13.937 9 HB2 ALA 2 HB2 ALA 2 17.869 25.921 15.569 10 HB3 ALA 2 HB3 ALA 2 18.783 24.565 15.110 11 H ARG 3 H ARG 3 22.056 25.397 15.899 12 HA ARG 3 HA ARG 3 21.699 25.417 18.861 13 HB2 ARG 3 HB2 ARG 3 21.370 23.310 17.722 14 HB3 ARG 3 HB1 ARG 3 23.003 23.345 17.052 15 HG2 ARG 3 HG2 ARG 3 23.676 23.327 19.723 16 HG3 ARG 3 HG1 ARG 3 22.064 22.960 19.949 17 HD2 ARG 3 HD2 ARG 3 22.796 21.126 20.217 18 HD3 ARG 3 HD1 ARG 3 22.192 20.932 18.566 19 HE ARG 3 HE ARG 3 24.375 20.821 17.610 20 HH11 ARG 3 1HH1 ARG 3 26.390 20.334 17.535 21 HH12 ARG 3 2HH1 ARG 3 27.304 20.136 18.989 22 HH21 ARG 3 1HH2 ARG 3 24.802 21.465 21.076 23 HH22 ARG 3 2HH2 ARG 3 26.475 20.965 20.987 24 H DVA 4 H DVA 4 24.370 25.523 16.387 25 HA DVA 4 HA DVA 4 26.126 26.495 18.575 26 HB DVA 4 HB DVA 4 26.002 27.264 15.622 27 HG11 DVA 4 1HG1 DVA 4 25.788 29.542 16.679 28 HG12 DVA 4 2HG1 DVA 4 25.123 28.613 18.076 29 HG13 DVA 4 3HG1 DVA 4 24.422 28.548 16.431 30 HG21 DVA 4 1HG2 DVA 4 28.358 27.168 16.228 31 HG22 DVA 4 2HG2 DVA 4 27.952 27.872 17.821 32 HG23 DVA 4 3HG2 DVA 4 27.781 28.864 16.272 33 HA DPR 5 HA DPR 5 28.445 22.719 17.037 34 HB2 DPR 5 HB1 DPR 5 30.002 22.410 19.082 35 HB3 DPR 5 HB2 DPR 5 28.290 21.970 19.170 36 HG2 DPR 5 HG1 DPR 5 29.560 24.511 20.175 37 HG3 DPR 5 HG2 DPR 5 28.451 23.429 21.059 38 HD2 DPR 5 HD1 DPR 5 27.450 25.577 19.849 39 HD3 DPR 5 HD2 DPR 5 26.533 24.051 19.818 40 H ARG 6 H ARG 6 30.017 22.977 15.517 41 HA ARG 6 HA ARG 6 31.915 25.222 15.960 42 HB2 ARG 6 HB2 ARG 6 32.535 22.645 14.682 43 HB3 ARG 6 HB1 ARG 6 33.664 24.019 14.853 44 HG2 ARG 6 HG2 ARG 6 33.339 23.804 17.303 45 HG3 ARG 6 HG1 ARG 6 32.520 22.288 17.143 46 HD2 ARG 6 HD2 ARG 6 35.258 22.946 15.912 47 HD3 ARG 6 HD1 ARG 6 34.940 22.003 17.440 48 HE ARG 6 HE ARG 6 34.622 21.124 14.620 49 HH11 ARG 6 1HH1 ARG 6 34.870 18.867 14.427 50 HH12 ARG 6 2HH1 ARG 6 34.460 17.841 15.765 51 HH21 ARG 6 1HH2 ARG 6 33.709 20.339 17.973 52 HH22 ARG 6 2HH2 ARG 6 34.012 18.584 17.685 53 H DLE 7 H DLE 7 29.756 23.549 13.953 54 HA DLE 7 HA DLE 7 30.523 24.634 11.309 55 HB2 DLE 7 HB1 DLE 7 28.520 26.014 11.099 56 HB3 DLE 7 HB2 DLE 7 29.623 26.619 12.293 57 HG DLE 7 HG DLE 7 28.014 25.992 14.069 58 HD11 DLE 7 1HD1 DLE 7 27.383 28.073 12.013 59 HD12 DLE 7 2HD1 DLE 7 28.152 28.092 13.645 60 HD13 DLE 7 3HD1 DLE 7 26.406 27.735 13.332 61 HD21 DLE 7 1HD2 DLE 7 26.049 25.742 11.717 62 HD22 DLE 7 2HD2 DLE 7 25.848 25.623 13.553 63 HD23 DLE 7 3HD2 DLE 7 26.536 24.295 12.617 64 H DTH 8 H DTH 8 29.187 24.088 9.584 65 HA DTH 8 HA DTH 8 28.446 21.355 10.195 66 HB DTH 8 HB DTH 8 28.554 22.673 7.488 67 HG21 DTH 8 1HG2 DTH 8 30.819 22.566 8.535 68 HG22 DTH 8 2HG2 DTH 8 30.649 21.387 7.277 69 HG23 DTH 8 3HG2 DTH 8 30.549 20.844 8.929 70 HG1 DTH 8 HG1 DTH 8 28.842 20.556 7.013 71 HA PRO 9 HA PRO 9 24.018 22.452 8.815 72 HB2 PRO 9 HB2 PRO 9 22.769 20.335 9.596 73 HB3 PRO 9 HB1 PRO 9 23.939 20.285 8.293 74 HG2 PRO 9 HG2 PRO 9 24.286 19.427 11.237 75 HG3 PRO 9 HG1 PRO 9 24.976 18.641 9.822 76 HD2 PRO 9 HD2 PRO 9 26.529 20.437 11.257 77 HD3 PRO 9 HD1 PRO 9 26.690 19.958 9.516 78 H GLU 10 H GLU 10 25.183 22.936 11.791 79 HA GLU 10 HA GLU 10 22.690 22.558 13.317 80 HB2 GLU 10 HB2 GLU 10 25.560 22.775 14.371 81 HB3 GLU 10 HB1 GLU 10 24.093 22.338 15.279 82 HG2 GLU 10 HG2 GLU 10 24.181 20.146 13.755 83 HG3 GLU 10 HG1 GLU 10 25.758 20.822 13.341 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 23.784 25.176 11.944 2 HA ALA 1 HA ALA 1 24.112 27.215 13.787 3 HB1 ALA 1 HB1 ALA 1 24.229 27.143 11.315 4 HB2 ALA 1 HB2 ALA 1 23.649 28.679 12.103 5 HB3 ALA 1 HB3 ALA 1 22.501 27.647 11.349 6 H ALA 2 H ALA 2 21.230 25.320 13.876 7 HA ALA 2 HA ALA 2 19.930 27.540 15.285 8 HB1 ALA 2 HB1 ALA 2 18.418 26.141 14.005 9 HB2 ALA 2 HB2 ALA 2 18.203 25.772 15.776 10 HB3 ALA 2 HB3 ALA 2 19.023 24.686 14.851 11 H ARG 3 H ARG 3 21.911 24.766 16.071 12 HA ARG 3 HA ARG 3 21.410 24.654 18.984 13 HB2 ARG 3 HB2 ARG 3 21.575 22.645 17.637 14 HB3 ARG 3 HB1 ARG 3 23.217 22.939 17.298 15 HG2 ARG 3 HG2 ARG 3 23.547 22.965 19.844 16 HG3 ARG 3 HG1 ARG 3 21.812 22.484 20.038 17 HD2 ARG 3 HD2 ARG 3 23.132 20.571 20.385 18 HD3 ARG 3 HD1 ARG 3 22.297 20.456 18.763 19 HE ARG 3 HE ARG 3 24.134 20.494 17.715 20 HH11 ARG 3 1HH1 ARG 3 26.447 19.880 17.569 21 HH12 ARG 3 2HH1 ARG 3 27.404 19.987 19.036 22 HH21 ARG 3 1HH2 ARG 3 25.048 21.010 21.182 23 HH22 ARG 3 2HH2 ARG 3 26.689 20.497 20.908 24 H DVA 4 H DVA 4 23.899 25.527 16.560 25 HA DVA 4 HA DVA 4 25.615 26.630 18.665 26 HB DVA 4 HB DVA 4 25.103 27.501 15.752 27 HG11 DVA 4 1HG1 DVA 4 24.086 29.395 16.826 28 HG12 DVA 4 2HG1 DVA 4 24.363 28.590 18.396 29 HG13 DVA 4 3HG1 DVA 4 23.239 27.811 17.286 30 HG21 DVA 4 1HG2 DVA 4 26.375 29.374 16.053 31 HG22 DVA 4 2HG2 DVA 4 27.451 28.025 16.398 32 HG23 DVA 4 3HG2 DVA 4 26.742 28.913 17.787 33 HA DPR 5 HA DPR 5 28.198 23.295 17.069 34 HB2 DPR 5 HB1 DPR 5 30.162 23.150 18.993 35 HB3 DPR 5 HB2 DPR 5 28.532 22.361 18.848 36 HG2 DPR 5 HG1 DPR 5 29.258 24.721 20.599 37 HG3 DPR 5 HG2 DPR 5 28.062 23.455 20.895 38 HD2 DPR 5 HD1 DPR 5 27.130 25.800 19.995 39 HD3 DPR 5 HD2 DPR 5 26.452 24.194 19.626 40 H ARG 6 H ARG 6 29.635 23.063 15.786 41 HA ARG 6 HA ARG 6 31.856 25.038 15.690 42 HB2 ARG 6 HB2 ARG 6 32.046 22.116 15.115 43 HB3 ARG 6 HB1 ARG 6 33.404 23.323 15.320 44 HG2 ARG 6 HG2 ARG 6 32.631 23.514 17.657 45 HG3 ARG 6 HG1 ARG 6 31.551 22.114 17.424 46 HD2 ARG 6 HD2 ARG 6 34.564 22.140 16.985 47 HD3 ARG 6 HD1 ARG 6 33.649 21.610 18.461 48 HE ARG 6 HE ARG 6 32.859 20.086 16.164 49 HH11 ARG 6 1HH1 ARG 6 33.502 17.879 16.029 50 HH12 ARG 6 2HH1 ARG 6 34.217 17.230 17.496 51 HH21 ARG 6 1HH2 ARG 6 35.377 20.248 18.617 52 HH22 ARG 6 2HH2 ARG 6 35.660 18.471 18.451 53 H DLE 7 H DLE 7 29.330 24.182 13.699 54 HA DLE 7 HA DLE 7 30.956 23.959 11.289 55 HB2 DLE 7 HB1 DLE 7 29.277 25.620 10.202 56 HB3 DLE 7 HB2 DLE 7 30.560 26.262 11.218 57 HG DLE 7 HG DLE 7 29.032 26.555 13.070 58 HD11 DLE 7 1HD1 DLE 7 27.362 27.499 10.744 59 HD12 DLE 7 2HD1 DLE 7 28.970 28.119 11.154 60 HD13 DLE 7 3HD1 DLE 7 27.632 28.327 12.297 61 HD21 DLE 7 1HD2 DLE 7 27.509 24.747 12.978 62 HD22 DLE 7 2HD2 DLE 7 26.715 25.324 11.421 63 HD23 DLE 7 3HD2 DLE 7 26.561 26.200 12.905 64 H DTH 8 H DTH 8 29.555 23.502 9.212 65 HA DTH 8 HA DTH 8 28.085 21.159 9.912 66 HB DTH 8 HB DTH 8 28.786 22.368 7.285 67 HG21 DTH 8 1HG2 DTH 8 29.826 20.148 6.990 68 HG22 DTH 8 2HG2 DTH 8 29.268 19.682 8.656 69 HG23 DTH 8 3HG2 DTH 8 30.419 20.926 8.528 70 HG1 DTH 8 HG1 DTH 8 27.510 20.773 6.402 71 HA PRO 9 HA PRO 9 24.033 22.866 8.985 72 HB2 PRO 9 HB2 PRO 9 22.386 20.860 9.769 73 HB3 PRO 9 HB1 PRO 9 23.225 20.823 8.245 74 HG2 PRO 9 HG2 PRO 9 23.874 19.735 10.988 75 HG3 PRO 9 HG1 PRO 9 24.086 18.764 9.483 76 HD2 PRO 9 HD2 PRO 9 26.240 19.822 10.609 77 HD3 PRO 9 HD1 PRO 9 25.970 19.736 8.901 78 H GLU 10 H GLU 10 25.473 22.603 11.928 79 HA GLU 10 HA GLU 10 23.140 22.517 13.488 80 HB2 GLU 10 HB2 GLU 10 26.094 22.756 14.300 81 HB3 GLU 10 HB1 GLU 10 24.709 22.534 15.397 82 HG2 GLU 10 HG2 GLU 10 24.083 20.483 13.778 83 HG3 GLU 10 HG1 GLU 10 25.647 20.696 13.148 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 23.093 24.471 11.944 2 HA ALA 1 HA ALA 1 23.850 26.737 13.516 3 HB1 ALA 1 HB1 ALA 1 24.161 26.689 11.088 4 HB2 ALA 1 HB2 ALA 1 23.264 28.069 11.589 5 HB3 ALA 1 HB3 ALA 1 22.405 26.609 10.818 6 H ALA 2 H ALA 2 21.363 25.053 14.344 7 HA ALA 2 HA ALA 2 19.842 27.467 15.019 8 HB1 ALA 2 HB1 ALA 2 18.617 25.880 13.814 9 HB2 ALA 2 HB2 ALA 2 17.876 26.173 15.383 10 HB3 ALA 2 HB3 ALA 2 18.787 24.610 15.059 11 H ARG 3 H ARG 3 22.020 25.239 16.134 12 HA ARG 3 HA ARG 3 21.485 25.702 19.000 13 HB2 ARG 3 HB2 ARG 3 21.248 23.363 18.123 14 HB3 ARG 3 HB1 ARG 3 22.958 23.476 17.584 15 HG2 ARG 3 HG2 ARG 3 23.594 23.768 19.972 16 HG3 ARG 3 HG1 ARG 3 21.845 23.760 20.429 17 HD2 ARG 3 HD2 ARG 3 22.712 21.623 20.955 18 HD3 ARG 3 HD1 ARG 3 21.700 21.426 19.500 19 HE ARG 3 HE ARG 3 23.622 21.241 18.151 20 HH11 ARG 3 1HH1 ARG 3 25.319 19.601 17.911 21 HH12 ARG 3 2HH1 ARG 3 26.103 19.221 19.445 22 HH21 ARG 3 1HH2 ARG 3 24.399 20.880 21.700 23 HH22 ARG 3 2HH2 ARG 3 25.934 20.154 21.313 24 H DVA 4 H DVA 4 24.192 25.318 16.651 25 HA DVA 4 HA DVA 4 25.948 26.661 18.449 26 HB DVA 4 HB DVA 4 25.821 27.207 15.465 27 HG11 DVA 4 1HG1 DVA 4 25.114 29.614 16.284 28 HG12 DVA 4 2HG1 DVA 4 24.837 28.801 17.864 29 HG13 DVA 4 3HG1 DVA 4 23.932 28.354 16.539 30 HG21 DVA 4 1HG2 DVA 4 27.558 28.469 17.712 31 HG22 DVA 4 2HG2 DVA 4 27.478 29.082 16.085 32 HG23 DVA 4 3HG2 DVA 4 28.110 27.494 16.303 33 HA DPR 5 HA DPR 5 28.200 22.843 16.962 34 HB2 DPR 5 HB1 DPR 5 29.803 23.746 19.444 35 HB3 DPR 5 HB2 DPR 5 29.336 22.100 18.950 36 HG2 DPR 5 HG1 DPR 5 27.915 23.061 20.895 37 HG3 DPR 5 HG2 DPR 5 27.118 22.293 19.416 38 HD2 DPR 5 HD1 DPR 5 27.553 25.263 19.886 39 HD3 DPR 5 HD2 DPR 5 26.045 24.375 19.412 40 H ARG 6 H ARG 6 30.091 22.587 16.091 41 HA ARG 6 HA ARG 6 31.957 24.783 15.770 42 HB2 ARG 6 HB2 ARG 6 31.977 21.873 15.230 43 HB3 ARG 6 HB1 ARG 6 33.314 22.898 14.703 44 HG2 ARG 6 HG2 ARG 6 33.521 23.509 17.284 45 HG3 ARG 6 HG1 ARG 6 32.422 22.224 17.560 46 HD2 ARG 6 HD2 ARG 6 35.173 21.979 16.174 47 HD3 ARG 6 HD1 ARG 6 34.644 21.359 17.809 48 HE ARG 6 HE ARG 6 33.557 20.328 15.306 49 HH11 ARG 6 1HH1 ARG 6 33.863 18.382 14.632 50 HH12 ARG 6 2HH1 ARG 6 34.955 17.310 15.521 51 HH21 ARG 6 1HH2 ARG 6 35.583 19.323 18.166 52 HH22 ARG 6 2HH2 ARG 6 35.915 17.826 17.403 53 H DLE 7 H DLE 7 29.385 24.039 14.126 54 HA DLE 7 HA DLE 7 30.512 24.731 11.493 55 HB2 DLE 7 HB1 DLE 7 28.815 26.133 10.824 56 HB3 DLE 7 HB2 DLE 7 29.998 26.672 12.149 57 HG DLE 7 HG DLE 7 28.181 26.179 13.829 58 HD11 DLE 7 1HD1 DLE 7 27.105 28.413 13.472 59 HD12 DLE 7 2HD1 DLE 7 27.968 28.622 11.967 60 HD13 DLE 7 3HD1 DLE 7 28.864 28.456 13.424 61 HD21 DLE 7 1HD2 DLE 7 26.565 25.070 12.597 62 HD22 DLE 7 2HD2 DLE 7 26.307 26.386 11.380 63 HD23 DLE 7 3HD2 DLE 7 25.885 26.487 13.148 64 H DTH 8 H DTH 8 29.171 24.347 9.763 65 HA DTH 8 HA DTH 8 28.307 21.584 9.827 66 HB DTH 8 HB DTH 8 28.790 23.399 7.550 67 HG21 DTH 8 1HG2 DTH 8 30.618 21.966 7.257 68 HG22 DTH 8 2HG2 DTH 8 29.826 20.612 8.262 69 HG23 DTH 8 3HG2 DTH 8 30.534 22.008 8.928 70 HG1 DTH 8 HG1 DTH 8 26.948 22.340 6.975 71 HA PRO 9 HA PRO 9 23.831 22.552 9.064 72 HB2 PRO 9 HB2 PRO 9 22.785 20.321 10.067 73 HB3 PRO 9 HB1 PRO 9 23.672 20.207 8.543 74 HG2 PRO 9 HG2 PRO 9 24.736 19.526 11.340 75 HG3 PRO 9 HG1 PRO 9 24.823 18.649 9.819 76 HD2 PRO 9 HD2 PRO 9 26.736 20.372 10.860 77 HD3 PRO 9 HD1 PRO 9 26.610 19.935 9.080 78 H GLU 10 H GLU 10 25.651 22.533 11.877 79 HA GLU 10 HA GLU 10 23.434 22.227 13.677 80 HB2 GLU 10 HB2 GLU 10 26.162 23.067 14.433 81 HB3 GLU 10 HB1 GLU 10 24.886 22.502 15.461 82 HG2 GLU 10 HG2 GLU 10 24.685 20.449 13.836 83 HG3 GLU 10 HG1 GLU 10 26.387 20.648 13.509 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 22.749 23.985 11.864 2 HA ALA 1 HA ALA 1 23.989 26.333 12.906 3 HB1 ALA 1 HB1 ALA 1 23.603 25.906 10.523 4 HB2 ALA 1 HB2 ALA 1 22.930 27.458 11.009 5 HB3 ALA 1 HB3 ALA 1 21.825 26.056 10.704 6 H ALA 2 H ALA 2 21.082 25.322 13.911 7 HA ALA 2 HA ALA 2 20.846 27.870 15.353 8 HB1 ALA 2 HB1 ALA 2 18.479 27.766 15.572 9 HB2 ALA 2 HB2 ALA 2 18.411 26.170 14.940 10 HB3 ALA 2 HB3 ALA 2 18.829 27.485 13.866 11 H ARG 3 H ARG 3 22.406 25.379 16.061 12 HA ARG 3 HA ARG 3 21.641 25.461 18.940 13 HB2 ARG 3 HB2 ARG 3 21.296 23.153 17.869 14 HB3 ARG 3 HB1 ARG 3 22.870 23.107 17.371 15 HG2 ARG 3 HG2 ARG 3 23.347 23.354 20.149 16 HG3 ARG 3 HG1 ARG 3 21.668 23.574 20.151 17 HD2 ARG 3 HD2 ARG 3 22.229 21.239 20.934 18 HD3 ARG 3 HD1 ARG 3 21.318 21.168 19.449 19 HE ARG 3 HE ARG 3 23.952 21.325 18.715 20 HH11 ARG 3 1HH1 ARG 3 24.601 19.459 17.319 21 HH12 ARG 3 2HH1 ARG 3 23.589 18.103 17.287 22 HH21 ARG 3 1HH2 ARG 3 21.508 19.007 19.865 23 HH22 ARG 3 2HH2 ARG 3 22.141 17.632 19.023 24 H DVA 4 H DVA 4 24.252 25.222 16.644 25 HA DVA 4 HA DVA 4 25.856 26.748 18.619 26 HB DVA 4 HB DVA 4 25.735 27.093 15.614 27 HG11 DVA 4 1HG1 DVA 4 24.920 29.087 17.721 28 HG12 DVA 4 2HG1 DVA 4 23.760 28.134 16.637 29 HG13 DVA 4 3HG1 DVA 4 24.847 29.306 16.041 30 HG21 DVA 4 1HG2 DVA 4 27.385 28.649 17.671 31 HG22 DVA 4 2HG2 DVA 4 27.241 29.110 16.066 32 HG23 DVA 4 3HG2 DVA 4 27.992 27.516 16.446 33 HA DPR 5 HA DPR 5 28.455 23.125 17.819 34 HB2 DPR 5 HB1 DPR 5 30.709 23.692 19.111 35 HB3 DPR 5 HB2 DPR 5 29.311 23.201 20.010 36 HG2 DPR 5 HG1 DPR 5 30.144 26.107 19.477 37 HG3 DPR 5 HG2 DPR 5 29.638 25.298 21.023 38 HD2 DPR 5 HD1 DPR 5 28.005 26.769 19.470 39 HD3 DPR 5 HD2 DPR 5 27.300 25.375 20.260 40 H ARG 6 H ARG 6 30.124 22.596 16.428 41 HA ARG 6 HA ARG 6 32.116 24.696 15.713 42 HB2 ARG 6 HB2 ARG 6 31.919 21.921 14.676 43 HB3 ARG 6 HB1 ARG 6 33.292 22.958 14.493 44 HG2 ARG 6 HG2 ARG 6 33.763 22.730 16.930 45 HG3 ARG 6 HG1 ARG 6 32.350 21.700 17.093 46 HD2 ARG 6 HD2 ARG 6 35.002 21.277 15.786 47 HD3 ARG 6 HD1 ARG 6 34.289 20.358 17.104 48 HE ARG 6 HE ARG 6 33.253 20.165 14.280 49 HH11 ARG 6 1HH1 ARG 6 32.265 18.289 13.741 50 HH12 ARG 6 2HH1 ARG 6 32.577 16.871 14.679 51 HH21 ARG 6 1HH2 ARG 6 34.104 18.361 17.351 52 HH22 ARG 6 2HH2 ARG 6 33.411 16.932 16.575 53 H DLE 7 H DLE 7 29.182 24.135 14.167 54 HA DLE 7 HA DLE 7 30.436 24.664 11.670 55 HB2 DLE 7 HB1 DLE 7 28.940 26.593 11.087 56 HB3 DLE 7 HB2 DLE 7 30.117 26.984 12.359 57 HG DLE 7 HG DLE 7 28.476 26.814 13.974 58 HD11 DLE 7 1HD1 DLE 7 29.001 28.887 12.932 59 HD12 DLE 7 2HD1 DLE 7 27.309 28.837 13.431 60 HD13 DLE 7 3HD1 DLE 7 27.729 28.684 11.719 61 HD21 DLE 7 1HD2 DLE 7 26.030 26.823 13.163 62 HD22 DLE 7 2HD2 DLE 7 26.821 25.273 13.446 63 HD23 DLE 7 3HD2 DLE 7 26.578 25.924 11.754 64 H DTH 8 H DTH 8 28.850 24.594 9.797 65 HA DTH 8 HA DTH 8 28.228 21.707 10.024 66 HB DTH 8 HB DTH 8 29.015 23.411 7.780 67 HG21 DTH 8 1HG2 DTH 8 30.190 21.553 7.078 68 HG22 DTH 8 2HG2 DTH 8 29.178 20.438 7.987 69 HG23 DTH 8 3HG2 DTH 8 30.268 21.472 8.887 70 HG1 DTH 8 HG1 DTH 8 28.098 22.420 6.300 71 HA PRO 9 HA PRO 9 23.830 22.646 8.855 72 HB2 PRO 9 HB2 PRO 9 22.632 20.356 9.162 73 HB3 PRO 9 HB1 PRO 9 23.832 20.535 7.828 74 HG2 PRO 9 HG2 PRO 9 24.457 19.163 10.445 75 HG3 PRO 9 HG1 PRO 9 24.901 18.762 8.776 76 HD2 PRO 9 HD2 PRO 9 26.573 20.137 10.394 77 HD3 PRO 9 HD1 PRO 9 26.579 20.303 8.537 78 H GLU 10 H GLU 10 25.376 22.327 11.786 79 HA GLU 10 HA GLU 10 23.004 21.860 13.478 80 HB2 GLU 10 HB2 GLU 10 25.968 22.295 14.134 81 HB3 GLU 10 HB1 GLU 10 24.749 22.221 15.276 82 HG2 GLU 10 HG2 GLU 10 23.988 20.018 14.729 83 HG3 GLU 10 HG1 GLU 10 25.178 19.913 13.418 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 22.908 24.563 11.900 2 HA ALA 1 HA ALA 1 24.330 26.815 13.118 3 HB1 ALA 1 HB1 ALA 1 22.236 26.762 10.884 4 HB2 ALA 1 HB2 ALA 1 24.056 26.734 10.868 5 HB3 ALA 1 HB3 ALA 1 23.303 28.133 11.427 6 H ALA 2 H ALA 2 21.086 25.357 13.883 7 HA ALA 2 HA ALA 2 20.882 27.673 15.677 8 HB1 ALA 2 HB1 ALA 2 18.563 27.410 15.767 9 HB2 ALA 2 HB2 ALA 2 18.521 25.881 14.784 10 HB3 ALA 2 HB3 ALA 2 19.087 27.427 14.077 11 H ARG 3 H ARG 3 22.233 24.751 15.776 12 HA ARG 3 HA ARG 3 21.427 24.564 18.612 13 HB2 ARG 3 HB2 ARG 3 23.437 22.905 17.018 14 HB3 ARG 3 HB1 ARG 3 22.961 22.619 18.691 15 HG2 ARG 3 HG2 ARG 3 20.843 21.752 18.184 16 HG3 ARG 3 HG1 ARG 3 20.838 22.322 16.597 17 HD2 ARG 3 HD2 ARG 3 21.327 19.958 16.756 18 HD3 ARG 3 HD1 ARG 3 22.676 20.872 15.931 19 HE ARG 3 HE ARG 3 23.961 19.794 17.585 20 HH11 ARG 3 1HH1 ARG 3 24.535 18.691 19.428 21 HH12 ARG 3 2HH1 ARG 3 23.371 18.385 20.678 22 HH21 ARG 3 1HH2 ARG 3 20.793 19.778 18.914 23 HH22 ARG 3 2HH2 ARG 3 21.499 19.130 20.503 24 H DVA 4 H DVA 4 24.264 25.241 16.494 25 HA DVA 4 HA DVA 4 25.534 26.708 18.636 26 HB DVA 4 HB DVA 4 25.532 27.212 15.704 27 HG11 DVA 4 1HG1 DVA 4 24.306 28.613 17.955 28 HG12 DVA 4 2HG1 DVA 4 23.397 27.774 16.572 29 HG13 DVA 4 3HG1 DVA 4 24.171 29.230 16.299 30 HG21 DVA 4 1HG2 DVA 4 26.647 29.091 17.931 31 HG22 DVA 4 2HG2 DVA 4 26.875 29.171 16.163 32 HG23 DVA 4 3HG2 DVA 4 27.664 27.918 16.990 33 HA DPR 5 HA DPR 5 28.598 23.530 18.152 34 HB2 DPR 5 HB1 DPR 5 30.595 25.269 19.398 35 HB3 DPR 5 HB2 DPR 5 30.097 23.598 19.644 36 HG2 DPR 5 HG1 DPR 5 29.153 25.508 21.380 37 HG3 DPR 5 HG2 DPR 5 28.111 24.177 20.700 38 HD2 DPR 5 HD1 DPR 5 28.189 26.986 19.686 39 HD3 DPR 5 HD2 DPR 5 26.830 25.954 20.095 40 H ARG 6 H ARG 6 30.112 23.007 16.670 41 HA ARG 6 HA ARG 6 32.174 24.645 15.861 42 HB2 ARG 6 HB2 ARG 6 31.500 21.834 14.860 43 HB3 ARG 6 HB1 ARG 6 33.007 22.786 14.562 44 HG2 ARG 6 HG2 ARG 6 33.201 22.630 17.072 45 HG3 ARG 6 HG1 ARG 6 31.859 21.501 17.105 46 HD2 ARG 6 HD2 ARG 6 34.499 21.225 15.732 47 HD3 ARG 6 HD1 ARG 6 34.181 20.569 17.250 48 HE ARG 6 HE ARG 6 32.138 19.559 15.494 49 HH11 ARG 6 1HH1 ARG 6 31.910 17.363 15.620 50 HH12 ARG 6 2HH1 ARG 6 33.413 16.381 15.658 51 HH21 ARG 6 1HH2 ARG 6 35.493 19.092 16.150 52 HH22 ARG 6 2HH2 ARG 6 35.536 17.358 16.018 53 H DLE 7 H DLE 7 29.423 23.628 14.023 54 HA DLE 7 HA DLE 7 30.545 24.381 11.437 55 HB2 DLE 7 HB1 DLE 7 28.690 25.738 10.783 56 HB3 DLE 7 HB2 DLE 7 30.040 26.358 11.675 57 HG DLE 7 HG DLE 7 28.572 26.525 13.709 58 HD11 DLE 7 1HD1 DLE 7 28.332 28.579 12.117 59 HD12 DLE 7 2HD1 DLE 7 26.820 28.026 13.061 60 HD13 DLE 7 3HD1 DLE 7 27.142 27.675 11.343 61 HD21 DLE 7 1HD2 DLE 7 27.063 24.621 13.415 62 HD22 DLE 7 2HD2 DLE 7 26.378 25.337 11.908 63 HD23 DLE 7 3HD2 DLE 7 26.224 26.004 13.650 64 H DTH 8 H DTH 8 29.305 23.771 9.611 65 HA DTH 8 HA DTH 8 27.733 21.363 9.998 66 HB DTH 8 HB DTH 8 28.752 22.927 7.711 67 HG21 DTH 8 1HG2 DTH 8 29.353 20.189 8.778 68 HG22 DTH 8 2HG2 DTH 8 30.522 21.500 8.598 69 HG23 DTH 8 3HG2 DTH 8 29.948 20.699 7.188 70 HG1 DTH 8 HG1 DTH 8 27.694 21.702 6.269 71 HA PRO 9 HA PRO 9 23.666 22.877 8.783 72 HB2 PRO 9 HB2 PRO 9 22.281 20.640 9.398 73 HB3 PRO 9 HB1 PRO 9 23.347 20.782 7.946 74 HG2 PRO 9 HG2 PRO 9 23.897 19.471 10.613 75 HG3 PRO 9 HG1 PRO 9 24.040 18.854 8.997 76 HD2 PRO 9 HD2 PRO 9 26.208 19.952 10.184 77 HD3 PRO 9 HD1 PRO 9 25.955 20.134 8.403 78 H GLU 10 H GLU 10 25.282 22.415 11.759 79 HA GLU 10 HA GLU 10 22.960 22.269 13.421 80 HB2 GLU 10 HB2 GLU 10 25.817 22.662 14.318 81 HB3 GLU 10 HB1 GLU 10 24.458 22.007 15.215 82 HG2 GLU 10 HG2 GLU 10 24.353 20.079 13.710 83 HG3 GLU 10 HG1 GLU 10 25.968 20.550 13.032 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 22.723 24.497 11.582 2 HA ALA 1 HA ALA 1 23.739 26.816 12.753 3 HB1 ALA 1 HB1 ALA 1 21.495 26.259 10.766 4 HB2 ALA 1 HB2 ALA 1 23.168 26.204 10.485 5 HB3 ALA 1 HB3 ALA 1 22.420 27.817 10.911 6 H ALA 2 H ALA 2 21.167 25.174 14.156 7 HA ALA 2 HA ALA 2 20.413 27.728 15.571 8 HB1 ALA 2 HB1 ALA 2 18.284 26.527 16.031 9 HB2 ALA 2 HB2 ALA 2 18.870 25.067 15.264 10 HB3 ALA 2 HB3 ALA 2 18.516 26.327 14.240 11 H ARG 3 H ARG 3 21.755 24.522 15.903 12 HA ARG 3 HA ARG 3 21.971 24.636 18.803 13 HB2 ARG 3 HB2 ARG 3 21.828 22.594 17.413 14 HB3 ARG 3 HB1 ARG 3 23.405 23.166 16.696 15 HG2 ARG 3 HG2 ARG 3 24.252 23.015 19.177 16 HG3 ARG 3 HG1 ARG 3 22.809 22.224 19.562 17 HD2 ARG 3 HD2 ARG 3 23.026 20.586 17.732 18 HD3 ARG 3 HD1 ARG 3 24.712 21.133 17.590 19 HE ARG 3 HE ARG 3 24.133 20.242 20.306 20 HH11 ARG 3 1HH1 ARG 3 25.260 18.978 21.045 21 HH12 ARG 3 2HH1 ARG 3 26.288 17.689 20.399 22 HH21 ARG 3 1HH2 ARG 3 25.438 19.092 17.134 23 HH22 ARG 3 2HH2 ARG 3 26.602 18.133 18.011 24 H DVA 4 H DVA 4 24.468 25.441 16.129 25 HA DVA 4 HA DVA 4 25.712 26.847 18.328 26 HB DVA 4 HB DVA 4 26.363 27.015 15.372 27 HG11 DVA 4 1HG1 DVA 4 24.252 27.817 15.108 28 HG12 DVA 4 2HG1 DVA 4 25.239 29.177 15.325 29 HG13 DVA 4 3HG1 DVA 4 24.267 28.650 16.721 30 HG21 DVA 4 1HG2 DVA 4 27.435 29.051 16.097 31 HG22 DVA 4 2HG2 DVA 4 28.082 27.767 17.128 32 HG23 DVA 4 3HG2 DVA 4 26.835 28.949 17.686 33 HA DPR 5 HA DPR 5 28.781 23.512 18.421 34 HB2 DPR 5 HB1 DPR 5 30.553 25.723 19.729 35 HB3 DPR 5 HB2 DPR 5 30.261 23.937 19.988 36 HG2 DPR 5 HG1 DPR 5 28.935 26.020 21.306 37 HG3 DPR 5 HG2 DPR 5 28.426 24.393 21.127 38 HD2 DPR 5 HD1 DPR 5 27.439 26.906 19.794 39 HD3 DPR 5 HD2 DPR 5 26.644 25.306 20.051 40 H ARG 6 H ARG 6 29.809 22.776 16.791 41 HA ARG 6 HA ARG 6 32.220 23.736 15.883 42 HB2 ARG 6 HB2 ARG 6 31.561 21.417 15.977 43 HB3 ARG 6 HB1 ARG 6 30.488 21.693 14.636 44 HG2 ARG 6 HG2 ARG 6 32.405 22.463 13.271 45 HG3 ARG 6 HG1 ARG 6 33.530 22.250 14.664 46 HD2 ARG 6 HD2 ARG 6 32.595 19.835 14.723 47 HD3 ARG 6 HD1 ARG 6 32.149 20.041 13.079 48 HE ARG 6 HE ARG 6 34.065 20.441 12.195 49 HH11 ARG 6 1HH1 ARG 6 36.150 19.696 11.891 50 HH12 ARG 6 2HH1 ARG 6 37.166 19.218 13.206 51 HH21 ARG 6 1HH2 ARG 6 34.561 19.453 15.599 52 HH22 ARG 6 2HH2 ARG 6 36.262 19.084 15.365 53 H DLE 7 H DLE 7 28.986 23.892 14.177 54 HA DLE 7 HA DLE 7 30.498 24.477 11.743 55 HB2 DLE 7 HB1 DLE 7 28.991 26.299 10.991 56 HB3 DLE 7 HB2 DLE 7 30.139 26.693 12.192 57 HG DLE 7 HG DLE 7 28.419 26.409 13.868 58 HD11 DLE 7 1HD1 DLE 7 28.761 28.625 13.041 59 HD12 DLE 7 2HD1 DLE 7 27.107 28.531 13.404 60 HD13 DLE 7 3HD1 DLE 7 27.676 28.393 11.675 61 HD21 DLE 7 1HD2 DLE 7 26.608 24.990 12.951 62 HD22 DLE 7 2HD2 DLE 7 26.334 26.077 11.563 63 HD23 DLE 7 3HD2 DLE 7 25.930 26.612 13.091 64 H DTH 8 H DTH 8 29.099 24.251 9.696 65 HA DTH 8 HA DTH 8 28.233 21.608 9.855 66 HB DTH 8 HB DTH 8 28.425 23.798 7.769 67 HG21 DTH 8 1HG2 DTH 8 30.531 23.242 7.629 68 HG22 DTH 8 2HG2 DTH 8 30.135 21.652 7.110 69 HG23 DTH 8 3HG2 DTH 8 30.316 21.997 8.846 70 HG1 DTH 8 HG1 DTH 8 27.962 22.226 6.229 71 HA PRO 9 HA PRO 9 23.927 22.615 8.721 72 HB2 PRO 9 HB2 PRO 9 23.027 20.214 9.846 73 HB3 PRO 9 HB1 PRO 9 23.123 20.633 8.069 74 HG2 PRO 9 HG2 PRO 9 24.782 18.607 9.185 75 HG3 PRO 9 HG1 PRO 9 25.109 19.742 7.831 76 HD2 PRO 9 HD2 PRO 9 25.991 20.007 10.719 77 HD3 PRO 9 HD1 PRO 9 26.997 20.240 9.219 78 H GLU 10 H GLU 10 25.283 22.908 11.641 79 HA GLU 10 HA GLU 10 22.967 22.199 13.282 80 HB2 GLU 10 HB2 GLU 10 25.797 23.029 14.198 81 HB3 GLU 10 HB1 GLU 10 24.470 22.260 15.111 82 HG2 GLU 10 HG2 GLU 10 24.581 20.406 13.260 83 HG3 GLU 10 HG1 GLU 10 26.259 20.991 13.104 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 22.816 24.336 11.976 2 HA ALA 1 HA ALA 1 24.001 26.760 12.694 3 HB1 ALA 1 HB1 ALA 1 23.367 26.138 10.436 4 HB2 ALA 1 HB2 ALA 1 22.687 27.631 10.949 5 HB3 ALA 1 HB3 ALA 1 21.641 26.218 10.799 6 H ALA 2 H ALA 2 21.216 25.463 14.033 7 HA ALA 2 HA ALA 2 20.483 27.944 15.421 8 HB1 ALA 2 HB1 ALA 2 18.814 25.427 15.039 9 HB2 ALA 2 HB2 ALA 2 18.729 26.624 13.744 10 HB3 ALA 2 HB3 ALA 2 18.263 27.072 15.404 11 H ARG 3 H ARG 3 21.979 24.917 15.946 12 HA ARG 3 HA ARG 3 21.285 25.032 18.908 13 HB2 ARG 3 HB2 ARG 3 21.002 22.961 17.655 14 HB3 ARG 3 HB1 ARG 3 22.584 22.863 17.219 15 HG2 ARG 3 HG2 ARG 3 23.202 22.789 19.717 16 HG3 ARG 3 HG1 ARG 3 21.398 22.720 20.068 17 HD2 ARG 3 HD2 ARG 3 21.514 20.584 18.711 18 HD3 ARG 3 HD1 ARG 3 23.241 20.962 18.445 19 HE ARG 3 HE ARG 3 22.762 21.204 21.174 20 HH11 ARG 3 1HH1 ARG 3 23.235 19.530 22.707 21 HH12 ARG 3 2HH1 ARG 3 23.569 17.923 22.248 22 HH21 ARG 3 1HH2 ARG 3 22.763 18.498 18.890 23 HH22 ARG 3 2HH2 ARG 3 23.347 17.332 20.070 24 H DVA 4 H DVA 4 24.076 25.293 16.604 25 HA DVA 4 HA DVA 4 25.522 26.583 18.778 26 HB DVA 4 HB DVA 4 25.403 27.007 15.787 27 HG11 DVA 4 1HG1 DVA 4 24.230 29.044 16.158 28 HG12 DVA 4 2HG1 DVA 4 24.868 29.128 17.871 29 HG13 DVA 4 3HG1 DVA 4 23.668 27.948 17.435 30 HG21 DVA 4 1HG2 DVA 4 26.864 29.002 15.882 31 HG22 DVA 4 2HG2 DVA 4 27.643 27.566 16.192 32 HG23 DVA 4 3HG2 DVA 4 27.161 28.635 17.582 33 HA DPR 5 HA DPR 5 28.437 23.278 17.544 34 HB2 DPR 5 HB1 DPR 5 30.611 23.755 19.012 35 HB3 DPR 5 HB2 DPR 5 28.966 23.726 19.841 36 HG2 DPR 5 HG1 DPR 5 30.445 26.166 19.008 37 HG3 DPR 5 HG2 DPR 5 29.608 25.815 20.604 38 HD2 DPR 5 HD1 DPR 5 28.563 27.155 18.454 39 HD3 DPR 5 HD2 DPR 5 27.554 26.310 19.730 40 H ARG 6 H ARG 6 30.289 22.561 16.528 41 HA ARG 6 HA ARG 6 32.389 24.203 15.537 42 HB2 ARG 6 HB2 ARG 6 31.901 21.548 15.927 43 HB3 ARG 6 HB1 ARG 6 31.877 21.627 14.093 44 HG2 ARG 6 HG2 ARG 6 34.024 22.753 14.184 45 HG3 ARG 6 HG1 ARG 6 34.068 22.585 15.974 46 HD2 ARG 6 HD2 ARG 6 35.448 20.800 15.011 47 HD3 ARG 6 HD1 ARG 6 33.997 20.257 15.820 48 HE ARG 6 HE ARG 6 33.271 19.369 13.872 49 HH11 ARG 6 1HH1 ARG 6 33.536 18.752 11.469 50 HH12 ARG 6 2HH1 ARG 6 34.797 19.555 10.612 51 HH21 ARG 6 1HH2 ARG 6 36.117 21.470 13.109 52 HH22 ARG 6 2HH2 ARG 6 36.228 20.997 11.492 53 H DLE 7 H DLE 7 29.288 24.093 14.048 54 HA DLE 7 HA DLE 7 30.544 24.855 11.458 55 HB2 DLE 7 HB1 DLE 7 28.587 26.416 11.235 56 HB3 DLE 7 HB2 DLE 7 29.879 26.895 12.363 57 HG DLE 7 HG DLE 7 28.532 26.631 14.241 58 HD11 DLE 7 1HD1 DLE 7 27.952 28.589 12.660 59 HD12 DLE 7 2HD1 DLE 7 26.580 28.093 13.625 60 HD13 DLE 7 3HD1 DLE 7 26.749 27.591 11.931 61 HD21 DLE 7 1HD2 DLE 7 27.455 24.417 13.780 62 HD22 DLE 7 2HD2 DLE 7 26.336 25.183 12.674 63 HD23 DLE 7 3HD2 DLE 7 26.415 25.589 14.361 64 H DTH 8 H DTH 8 28.924 24.558 9.579 65 HA DTH 8 HA DTH 8 28.258 21.729 9.734 66 HB DTH 8 HB DTH 8 28.004 23.727 7.466 67 HG21 DTH 8 1HG2 DTH 8 29.935 21.309 7.766 68 HG22 DTH 8 2HG2 DTH 8 30.349 22.842 8.340 69 HG23 DTH 8 3HG2 DTH 8 29.944 22.630 6.542 70 HG1 DTH 8 HG1 DTH 8 27.928 21.956 6.202 71 HA PRO 9 HA PRO 9 23.845 22.305 9.116 72 HB2 PRO 9 HB2 PRO 9 22.908 20.129 10.375 73 HB3 PRO 9 HB1 PRO 9 23.556 20.085 8.723 74 HG2 PRO 9 HG2 PRO 9 24.881 19.210 11.356 75 HG3 PRO 9 HG1 PRO 9 25.035 18.509 9.711 76 HD2 PRO 9 HD2 PRO 9 26.638 20.366 11.074 77 HD3 PRO 9 HD1 PRO 9 26.878 19.906 9.380 78 H GLU 10 H GLU 10 25.641 22.543 12.078 79 HA GLU 10 HA GLU 10 23.285 22.121 13.640 80 HB2 GLU 10 HB2 GLU 10 26.042 22.895 14.453 81 HB3 GLU 10 HB1 GLU 10 24.677 22.550 15.575 82 HG2 GLU 10 HG2 GLU 10 24.227 20.408 14.630 83 HG3 GLU 10 HG1 GLU 10 25.722 20.552 13.538
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