NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
537104 | 2lhv | 17868 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 1 H1 ACE 1 -35.851 41.213 149.029 2 H2 ACE 1 H2 ACE 1 -35.735 42.547 147.882 3 H3 ACE 1 H3 ACE 1 -36.060 42.873 149.584 4 HA PRO 2 HA PRO 2 -31.413 43.142 148.232 5 HB2 PRO 2 HB2 PRO 2 -31.408 45.637 149.671 6 HB3 PRO 2 HB3 PRO 2 -31.144 45.370 147.941 7 HG2 PRO 2 HG2 PRO 2 -33.543 46.272 149.339 8 HG3 PRO 2 HG3 PRO 2 -33.111 46.413 147.629 9 HD2 PRO 2 HD2 PRO 2 -35.071 44.732 148.543 10 HD3 PRO 2 HD3 PRO 2 -34.126 44.415 147.070 11 H THR 3 H THR 3 -32.853 44.484 151.221 12 HA THR 3 HA THR 3 -30.814 43.954 152.993 13 HB THR 3 HB THR 3 -33.645 43.440 153.836 14 HG1 THR 3 HG1 THR 3 -34.213 45.273 153.031 15 HG21 THR 3 HG21 THR 3 -32.942 44.570 155.828 16 HG22 THR 3 HG22 THR 3 -31.478 45.168 155.046 17 HG23 THR 3 HG23 THR 3 -31.647 43.450 155.405 18 H THR 4 H THR 4 -29.720 42.042 152.730 19 HA THR 4 HA THR 4 -31.183 39.516 152.741 20 HB THR 4 HB THR 4 -29.357 39.562 151.216 21 HG1 THR 4 HG1 THR 4 -28.094 37.914 152.039 22 HG21 THR 4 HG21 THR 4 -26.994 39.969 152.385 23 HG22 THR 4 HG22 THR 4 -27.982 40.933 153.483 24 HG23 THR 4 HG23 THR 4 -27.955 41.310 151.761 25 H THR 5 H THR 5 -30.330 37.753 154.192 26 HA THR 5 HA THR 5 -29.168 38.583 156.713 27 HB THR 5 HB THR 5 -31.533 39.202 157.034 28 HG1 THR 5 HG1 THR 5 -30.539 36.938 158.400 29 HG21 THR 5 HG21 THR 5 -32.025 36.945 155.483 30 HG22 THR 5 HG22 THR 5 -33.237 37.903 156.332 31 HG23 THR 5 HG23 THR 5 -32.551 36.470 157.097 32 HA PRO 6 HA PRO 6 -28.438 34.189 155.454 33 HB2 PRO 6 HB2 PRO 6 -25.608 34.684 155.689 34 HB3 PRO 6 HB3 PRO 6 -26.539 34.322 154.228 35 HG2 PRO 6 HG2 PRO 6 -25.328 36.737 154.803 36 HG3 PRO 6 HG3 PRO 6 -26.613 36.484 153.614 37 HD2 PRO 6 HD2 PRO 6 -26.786 37.648 156.354 38 HD3 PRO 6 HD3 PRO 6 -27.773 37.990 154.915 39 H LEU 7 H LEU 7 -26.350 32.848 156.601 40 HA LEU 7 HA LEU 7 -27.194 32.387 159.226 41 HB2 LEU 7 HB2 LEU 7 -24.460 31.816 158.056 42 HB3 LEU 7 HB3 LEU 7 -25.179 31.037 159.466 43 HG LEU 7 HG LEU 7 -26.338 30.956 156.665 44 HD11 LEU 7 HD11 LEU 7 -24.600 29.479 156.412 45 HD12 LEU 7 HD12 LEU 7 -25.712 28.396 157.250 46 HD13 LEU 7 HD13 LEU 7 -24.435 29.216 158.148 47 HD21 LEU 7 HD21 LEU 7 -27.203 29.956 159.353 48 HD22 LEU 7 HD22 LEU 7 -27.567 28.970 157.937 49 HD23 LEU 7 HD23 LEU 7 -28.177 30.622 158.042 50 H LYS 8 H LYS 8 -25.340 32.412 161.046 51 HA LYS 8 HA LYS 8 -24.240 33.712 162.587 52 HB2 LYS 8 HB2 LYS 8 -23.404 35.479 160.290 53 HB3 LYS 8 HB3 LYS 8 -22.540 35.157 161.794 54 HG2 LYS 8 HG2 LYS 8 -22.457 32.708 161.051 55 HG3 LYS 8 HG3 LYS 8 -22.975 33.280 159.465 56 HD2 LYS 8 HD2 LYS 8 -21.026 34.750 159.321 57 HD3 LYS 8 HD3 LYS 8 -20.523 34.278 160.945 58 HE2 LYS 8 HE2 LYS 8 -20.985 32.069 159.009 59 HE3 LYS 8 HE3 LYS 8 -19.567 33.078 158.727 60 HZ1 LYS 8 HZ1 LYS 8 -20.083 31.178 160.830 61 HZ2 LYS 8 HZ2 LYS 8 -19.473 32.663 161.388 62 HZ3 LYS 8 HZ3 LYS 8 -18.606 31.764 160.235 63 HN1 NH2 9 HN1 NH2 9 -27.220 36.080 161.756 64 HN2 NH2 9 HN2 NH2 9 -27.070 34.446 162.191 Start of MODEL 2 1 H1 ACE 1 H1 ACE 1 -32.409 43.276 145.040 2 H2 ACE 1 H2 ACE 1 -33.597 42.100 145.604 3 H3 ACE 1 H3 ACE 1 -31.894 41.654 145.500 4 HA PRO 2 HA PRO 2 -31.831 45.111 148.971 5 HB2 PRO 2 HB2 PRO 2 -34.590 45.515 149.692 6 HB3 PRO 2 HB3 PRO 2 -33.438 46.703 149.066 7 HG2 PRO 2 HG2 PRO 2 -35.555 45.252 147.676 8 HG3 PRO 2 HG3 PRO 2 -34.697 46.726 147.204 9 HD2 PRO 2 HD2 PRO 2 -34.336 44.314 145.953 10 HD3 PRO 2 HD3 PRO 2 -33.076 45.567 146.037 11 H THR 3 H THR 3 -32.536 44.938 151.360 12 HA THR 3 HA THR 3 -32.945 43.672 153.237 13 HB THR 3 HB THR 3 -34.275 41.497 151.697 14 HG1 THR 3 HG1 THR 3 -36.023 42.757 151.264 15 HG21 THR 3 HG21 THR 3 -35.656 41.391 153.597 16 HG22 THR 3 HG22 THR 3 -35.314 43.061 154.051 17 HG23 THR 3 HG23 THR 3 -34.082 41.818 154.269 18 H THR 4 H THR 4 -32.024 41.894 154.326 19 HA THR 4 HA THR 4 -30.534 39.920 152.779 20 HB THR 4 HB THR 4 -28.409 40.443 153.956 21 HG1 THR 4 HG1 THR 4 -29.246 41.562 155.712 22 HG21 THR 4 HG21 THR 4 -27.790 42.241 152.520 23 HG22 THR 4 HG22 THR 4 -29.433 42.882 152.496 24 HG23 THR 4 HG23 THR 4 -29.064 41.370 151.665 25 H THR 5 H THR 5 -29.208 38.526 154.462 26 HA THR 5 HA THR 5 -30.444 38.317 157.074 27 HB THR 5 HB THR 5 -30.741 35.969 155.201 28 HG1 THR 5 HG1 THR 5 -32.992 37.328 155.965 29 HG21 THR 5 HG21 THR 5 -32.254 36.587 157.734 30 HG22 THR 5 HG22 THR 5 -30.694 35.764 157.774 31 HG23 THR 5 HG23 THR 5 -32.056 35.032 156.925 32 HA PRO 6 HA PRO 6 -26.082 36.788 156.679 33 HB2 PRO 6 HB2 PRO 6 -25.388 38.476 158.905 34 HB3 PRO 6 HB3 PRO 6 -24.850 38.602 157.224 35 HG2 PRO 6 HG2 PRO 6 -26.544 40.365 158.548 36 HG3 PRO 6 HG3 PRO 6 -26.278 40.275 156.803 37 HD2 PRO 6 HD2 PRO 6 -28.594 39.341 158.389 38 HD3 PRO 6 HD3 PRO 6 -28.499 39.762 156.665 39 H LEU 7 H LEU 7 -25.762 34.876 157.640 40 HA LEU 7 HA LEU 7 -25.949 34.597 160.516 41 HB2 LEU 7 HB2 LEU 7 -28.237 34.009 159.036 42 HB3 LEU 7 HB3 LEU 7 -27.488 32.440 159.324 43 HG LEU 7 HG LEU 7 -28.135 34.516 161.440 44 HD11 LEU 7 HD11 LEU 7 -29.326 31.905 161.783 45 HD12 LEU 7 HD12 LEU 7 -29.749 32.557 160.199 46 HD13 LEU 7 HD13 LEU 7 -30.120 33.475 161.658 47 HD21 LEU 7 HD21 LEU 7 -26.429 32.112 161.396 48 HD22 LEU 7 HD22 LEU 7 -27.591 32.149 162.721 49 HD23 LEU 7 HD23 LEU 7 -26.432 33.464 162.527 50 H LYS 8 H LYS 8 -23.920 33.841 160.724 51 HA LYS 8 HA LYS 8 -22.853 31.859 158.885 52 HB2 LYS 8 HB2 LYS 8 -21.626 33.842 160.170 53 HB3 LYS 8 HB3 LYS 8 -21.440 32.597 161.406 54 HG2 LYS 8 HG2 LYS 8 -20.592 32.363 158.503 55 HG3 LYS 8 HG3 LYS 8 -19.514 32.565 159.885 56 HD2 LYS 8 HD2 LYS 8 -20.603 30.424 160.820 57 HD3 LYS 8 HD3 LYS 8 -21.235 30.184 159.190 58 HE2 LYS 8 HE2 LYS 8 -18.863 30.422 158.339 59 HE3 LYS 8 HE3 LYS 8 -18.330 30.381 160.019 60 HZ1 LYS 8 HZ1 LYS 8 -18.619 28.194 160.111 61 HZ2 LYS 8 HZ2 LYS 8 -18.782 28.218 158.420 62 HZ3 LYS 8 HZ3 LYS 8 -20.161 28.276 159.412 63 HN1 NH2 9 HN1 NH2 9 -22.980 30.169 162.595 64 HN2 NH2 9 HN2 NH2 9 -23.169 31.854 162.512 Start of MODEL 3 1 H1 ACE 1 H1 ACE 1 -31.891 47.877 147.936 2 H2 ACE 1 H2 ACE 1 -32.491 46.927 146.576 3 H3 ACE 1 H3 ACE 1 -31.002 46.454 147.394 4 HA PRO 2 HA PRO 2 -34.507 44.086 149.298 5 HB2 PRO 2 HB2 PRO 2 -32.993 41.669 148.878 6 HB3 PRO 2 HB3 PRO 2 -34.518 42.154 148.120 7 HG2 PRO 2 HG2 PRO 2 -32.084 41.932 146.833 8 HG3 PRO 2 HG3 PRO 2 -33.488 42.829 146.239 9 HD2 PRO 2 HD2 PRO 2 -31.001 43.861 147.521 10 HD3 PRO 2 HD3 PRO 2 -32.058 44.633 146.317 11 H THR 3 H THR 3 -34.330 42.421 151.138 12 HA THR 3 HA THR 3 -32.148 43.272 152.918 13 HB THR 3 HB THR 3 -33.562 42.506 154.738 14 HG1 THR 3 HG1 THR 3 -35.561 41.847 152.880 15 HG21 THR 3 HG21 THR 3 -34.235 44.559 152.900 16 HG22 THR 3 HG22 THR 3 -34.661 44.460 154.608 17 HG23 THR 3 HG23 THR 3 -35.747 43.795 153.387 18 H THR 4 H THR 4 -30.571 41.918 153.500 19 HA THR 4 HA THR 4 -30.629 39.178 152.493 20 HB THR 4 HB THR 4 -28.321 39.182 152.717 21 HG1 THR 4 HG1 THR 4 -27.363 39.940 154.435 22 HG21 THR 4 HG21 THR 4 -29.255 41.155 151.324 23 HG22 THR 4 HG22 THR 4 -27.550 41.199 151.772 24 HG23 THR 4 HG23 THR 4 -28.721 42.168 152.665 25 H THR 5 H THR 5 -29.374 37.612 154.115 26 HA THR 5 HA THR 5 -30.150 37.939 156.887 27 HB THR 5 HB THR 5 -31.426 35.783 155.186 28 HG1 THR 5 HG1 THR 5 -32.159 38.256 155.887 29 HG21 THR 5 HG21 THR 5 -31.400 34.608 157.116 30 HG22 THR 5 HG22 THR 5 -32.588 35.772 157.702 31 HG23 THR 5 HG23 THR 5 -30.874 36.008 158.051 32 HA PRO 6 HA PRO 6 -26.448 35.280 156.084 33 HB2 PRO 6 HB2 PRO 6 -24.945 36.991 157.850 34 HB3 PRO 6 HB3 PRO 6 -24.742 36.767 156.107 35 HG2 PRO 6 HG2 PRO 6 -25.643 39.071 157.335 36 HG3 PRO 6 HG3 PRO 6 -25.859 38.660 155.628 37 HD2 PRO 6 HD2 PRO 6 -27.827 38.510 157.863 38 HD3 PRO 6 HD3 PRO 6 -28.100 38.809 156.132 39 H LEU 7 H LEU 7 -26.692 33.475 157.279 40 HA LEU 7 HA LEU 7 -27.780 33.127 159.749 41 HB2 LEU 7 HB2 LEU 7 -25.578 31.633 158.346 42 HB3 LEU 7 HB3 LEU 7 -26.136 31.133 159.943 43 HG LEU 7 HG LEU 7 -28.259 31.692 157.946 44 HD11 LEU 7 HD11 LEU 7 -27.935 29.297 157.072 45 HD12 LEU 7 HD12 LEU 7 -26.295 29.406 157.712 46 HD13 LEU 7 HD13 LEU 7 -26.825 30.520 156.451 47 HD21 LEU 7 HD21 LEU 7 -29.322 29.834 159.068 48 HD22 LEU 7 HD22 LEU 7 -28.589 30.848 160.311 49 HD23 LEU 7 HD23 LEU 7 -27.800 29.349 159.816 50 H LYS 8 H LYS 8 -24.502 34.175 159.018 51 HA LYS 8 HA LYS 8 -24.203 35.172 161.730 52 HB2 LYS 8 HB2 LYS 8 -22.165 33.967 162.224 53 HB3 LYS 8 HB3 LYS 8 -23.430 32.794 161.854 54 HG2 LYS 8 HG2 LYS 8 -22.559 32.896 159.427 55 HG3 LYS 8 HG3 LYS 8 -21.131 33.677 160.110 56 HD2 LYS 8 HD2 LYS 8 -20.994 31.705 161.729 57 HD3 LYS 8 HD3 LYS 8 -22.194 30.910 160.710 58 HE2 LYS 8 HE2 LYS 8 -20.344 31.836 158.871 59 HE3 LYS 8 HE3 LYS 8 -19.334 31.339 160.229 60 HZ1 LYS 8 HZ1 LYS 8 -20.929 29.278 160.168 61 HZ2 LYS 8 HZ2 LYS 8 -19.567 29.364 159.155 62 HZ3 LYS 8 HZ3 LYS 8 -21.109 29.733 158.544 63 HN1 NH2 9 HN1 NH2 9 -22.147 36.251 158.409 64 HN2 NH2 9 HN2 NH2 9 -22.296 34.583 158.680 Start of MODEL 4 1 H1 ACE 1 H1 ACE 1 -31.698 46.457 147.125 2 H2 ACE 1 H2 ACE 1 -31.187 45.032 146.221 3 H3 ACE 1 H3 ACE 1 -30.319 45.509 147.681 4 HA PRO 2 HA PRO 2 -33.516 42.369 148.874 5 HB2 PRO 2 HB2 PRO 2 -31.443 40.901 150.236 6 HB3 PRO 2 HB3 PRO 2 -32.366 40.420 148.804 7 HG2 PRO 2 HG2 PRO 2 -29.672 41.026 148.851 8 HG3 PRO 2 HG3 PRO 2 -30.698 40.994 147.409 9 HD2 PRO 2 HD2 PRO 2 -29.702 43.340 148.958 10 HD3 PRO 2 HD3 PRO 2 -30.086 43.207 147.226 11 H THR 3 H THR 3 -33.454 41.231 151.299 12 HA THR 3 HA THR 3 -32.743 43.314 153.253 13 HB THR 3 HB THR 3 -35.049 42.697 154.333 14 HG1 THR 3 HG1 THR 3 -36.535 41.973 152.934 15 HG21 THR 3 HG21 THR 3 -34.743 44.935 153.726 16 HG22 THR 3 HG22 THR 3 -36.110 44.460 152.718 17 HG23 THR 3 HG23 THR 3 -34.490 44.540 152.026 18 H THR 4 H THR 4 -32.139 40.346 152.356 19 HA THR 4 HA THR 4 -32.581 38.956 154.885 20 HB THR 4 HB THR 4 -31.388 37.077 153.658 21 HG1 THR 4 HG1 THR 4 -31.516 37.570 151.282 22 HG21 THR 4 HG21 THR 4 -34.000 38.300 153.086 23 HG22 THR 4 HG22 THR 4 -33.601 36.625 153.471 24 HG23 THR 4 HG23 THR 4 -33.426 37.215 151.818 25 H THR 5 H THR 5 -31.087 38.690 156.436 26 HA THR 5 HA THR 5 -28.557 40.083 156.189 27 HB THR 5 HB THR 5 -28.503 38.739 158.602 28 HG1 THR 5 HG1 THR 5 -30.470 38.331 159.179 29 HG21 THR 5 HG21 THR 5 -27.973 41.049 158.462 30 HG22 THR 5 HG22 THR 5 -29.418 40.975 159.470 31 HG23 THR 5 HG23 THR 5 -29.548 41.449 157.776 32 HA PRO 6 HA PRO 6 -25.994 36.608 155.393 33 HB2 PRO 6 HB2 PRO 6 -23.946 37.299 157.300 34 HB3 PRO 6 HB3 PRO 6 -23.973 37.614 155.559 35 HG2 PRO 6 HG2 PRO 6 -24.141 39.530 157.540 36 HG3 PRO 6 HG3 PRO 6 -24.614 39.750 155.850 37 HD2 PRO 6 HD2 PRO 6 -26.336 39.303 158.243 38 HD3 PRO 6 HD3 PRO 6 -26.688 40.196 156.746 39 H LEU 7 H LEU 7 -27.004 34.762 156.140 40 HA LEU 7 HA LEU 7 -27.120 34.087 158.936 41 HB2 LEU 7 HB2 LEU 7 -28.419 33.239 156.599 42 HB3 LEU 7 HB3 LEU 7 -27.513 31.834 157.163 43 HG LEU 7 HG LEU 7 -29.722 31.860 158.214 44 HD11 LEU 7 HD11 LEU 7 -28.867 31.177 160.199 45 HD12 LEU 7 HD12 LEU 7 -28.179 32.765 160.543 46 HD13 LEU 7 HD13 LEU 7 -27.299 31.624 159.527 47 HD21 LEU 7 HD21 LEU 7 -30.708 33.793 158.822 48 HD22 LEU 7 HD22 LEU 7 -29.285 34.657 158.240 49 HD23 LEU 7 HD23 LEU 7 -29.384 34.159 159.928 50 H LYS 8 H LYS 8 -25.426 33.389 160.055 51 HA LYS 8 HA LYS 8 -23.117 32.242 158.712 52 HB2 LYS 8 HB2 LYS 8 -23.660 32.801 161.638 53 HB3 LYS 8 HB3 LYS 8 -22.120 32.247 160.982 54 HG2 LYS 8 HG2 LYS 8 -23.049 34.514 159.464 55 HG3 LYS 8 HG3 LYS 8 -23.040 34.918 161.181 56 HD2 LYS 8 HD2 LYS 8 -20.705 33.642 159.730 57 HD3 LYS 8 HD3 LYS 8 -20.850 35.372 160.035 58 HE2 LYS 8 HE2 LYS 8 -20.118 35.118 162.147 59 HE3 LYS 8 HE3 LYS 8 -21.345 33.892 162.467 60 HZ1 LYS 8 HZ1 LYS 8 -19.692 32.478 160.986 61 HZ2 LYS 8 HZ2 LYS 8 -19.509 32.613 162.670 62 HZ3 LYS 8 HZ3 LYS 8 -18.569 33.573 161.631 63 HN1 NH2 9 HN1 NH2 9 -25.132 30.883 161.533 64 HN2 NH2 9 HN2 NH2 9 -25.628 29.669 160.455 Start of MODEL 5 1 H1 ACE 1 H1 ACE 1 -31.704 44.053 146.818 2 H2 ACE 1 H2 ACE 1 -33.326 43.358 146.831 3 H3 ACE 1 H3 ACE 1 -31.915 42.305 146.710 4 HA PRO 2 HA PRO 2 -33.676 42.978 151.177 5 HB2 PRO 2 HB2 PRO 2 -33.487 40.113 151.403 6 HB3 PRO 2 HB3 PRO 2 -34.940 41.122 151.461 7 HG2 PRO 2 HG2 PRO 2 -33.862 39.537 149.259 8 HG3 PRO 2 HG3 PRO 2 -35.494 40.182 149.496 9 HD2 PRO 2 HD2 PRO 2 -33.756 41.158 147.615 10 HD3 PRO 2 HD3 PRO 2 -35.021 42.149 148.378 11 H THR 3 H THR 3 -32.290 43.085 152.890 12 HA THR 3 HA THR 3 -29.525 42.843 152.539 13 HB THR 3 HB THR 3 -30.489 44.240 154.292 14 HG1 THR 3 HG1 THR 3 -29.287 42.762 156.073 15 HG21 THR 3 HG21 THR 3 -31.064 42.171 156.230 16 HG22 THR 3 HG22 THR 3 -32.061 41.958 154.791 17 HG23 THR 3 HG23 THR 3 -32.098 43.486 155.670 18 H THR 4 H THR 4 -28.136 41.449 154.074 19 HA THR 4 HA THR 4 -28.828 38.665 153.536 20 HB THR 4 HB THR 4 -26.542 38.169 154.009 21 HG1 THR 4 HG1 THR 4 -25.510 39.264 155.453 22 HG21 THR 4 HG21 THR 4 -27.143 39.572 151.922 23 HG22 THR 4 HG22 THR 4 -25.444 39.485 152.386 24 HG23 THR 4 HG23 THR 4 -26.393 40.918 152.780 25 H THR 5 H THR 5 -30.630 38.874 155.170 26 HA THR 5 HA THR 5 -29.852 38.938 157.962 27 HB THR 5 HB THR 5 -32.522 37.924 157.464 28 HG1 THR 5 HG1 THR 5 -31.722 39.399 155.554 29 HG21 THR 5 HG21 THR 5 -33.122 39.829 158.848 30 HG22 THR 5 HG22 THR 5 -31.543 40.565 158.578 31 HG23 THR 5 HG23 THR 5 -31.673 39.076 159.515 32 HA PRO 6 HA PRO 6 -30.959 34.289 157.472 33 HB2 PRO 6 HB2 PRO 6 -30.750 33.568 154.689 34 HB3 PRO 6 HB3 PRO 6 -32.183 33.527 155.727 35 HG2 PRO 6 HG2 PRO 6 -31.789 35.245 153.602 36 HG3 PRO 6 HG3 PRO 6 -32.961 35.470 154.908 37 HD2 PRO 6 HD2 PRO 6 -30.319 36.792 154.502 38 HD3 PRO 6 HD3 PRO 6 -31.785 37.412 155.295 39 H LEU 7 H LEU 7 -28.411 35.860 157.242 40 HA LEU 7 HA LEU 7 -26.644 33.571 156.689 41 HB2 LEU 7 HB2 LEU 7 -26.809 35.453 154.821 42 HB3 LEU 7 HB3 LEU 7 -25.697 36.290 155.905 43 HG LEU 7 HG LEU 7 -24.399 34.992 154.310 44 HD11 LEU 7 HD11 LEU 7 -23.024 33.800 155.841 45 HD12 LEU 7 HD12 LEU 7 -24.389 33.416 156.889 46 HD13 LEU 7 HD13 LEU 7 -23.780 35.069 156.805 47 HD21 LEU 7 HD21 LEU 7 -25.280 32.350 155.242 48 HD22 LEU 7 HD22 LEU 7 -25.002 32.924 153.598 49 HD23 LEU 7 HD23 LEU 7 -26.543 33.240 154.393 50 H LYS 8 H LYS 8 -26.123 33.191 158.797 51 HA LYS 8 HA LYS 8 -25.158 33.495 160.860 52 HB2 LYS 8 HB2 LYS 8 -23.638 35.416 159.117 53 HB3 LYS 8 HB3 LYS 8 -23.299 35.309 160.845 54 HG2 LYS 8 HG2 LYS 8 -22.911 32.879 160.617 55 HG3 LYS 8 HG3 LYS 8 -23.231 32.994 158.886 56 HD2 LYS 8 HD2 LYS 8 -20.932 33.190 158.848 57 HD3 LYS 8 HD3 LYS 8 -21.356 34.891 159.047 58 HE2 LYS 8 HE2 LYS 8 -19.743 34.535 160.728 59 HE3 LYS 8 HE3 LYS 8 -21.273 34.389 161.594 60 HZ1 LYS 8 HZ1 LYS 8 -21.143 31.982 161.311 61 HZ2 LYS 8 HZ2 LYS 8 -19.799 32.579 162.160 62 HZ3 LYS 8 HZ3 LYS 8 -19.649 32.143 160.525 63 HN1 NH2 9 HN1 NH2 9 -26.794 35.755 162.724 64 HN2 NH2 9 HN2 NH2 9 -27.341 34.458 161.777 Start of MODEL 6 1 H1 ACE 1 H1 ACE 1 -35.153 47.569 147.415 2 H2 ACE 1 H2 ACE 1 -33.658 47.960 148.265 3 H3 ACE 1 H3 ACE 1 -35.213 48.216 149.055 4 HA PRO 2 HA PRO 2 -34.554 43.459 148.934 5 HB2 PRO 2 HB2 PRO 2 -31.869 42.879 148.064 6 HB3 PRO 2 HB3 PRO 2 -33.393 42.456 147.269 7 HG2 PRO 2 HG2 PRO 2 -31.536 44.267 146.322 8 HG3 PRO 2 HG3 PRO 2 -33.226 44.161 145.813 9 HD2 PRO 2 HD2 PRO 2 -31.938 46.112 147.663 10 HD3 PRO 2 HD3 PRO 2 -33.339 46.326 146.589 11 H THR 3 H THR 3 -34.045 42.388 150.797 12 HA THR 3 HA THR 3 -31.973 43.594 152.511 13 HB THR 3 HB THR 3 -33.605 43.508 154.050 14 HG1 THR 3 HG1 THR 3 -34.206 41.092 154.485 15 HG21 THR 3 HG21 THR 3 -35.064 41.684 152.123 16 HG22 THR 3 HG22 THR 3 -35.296 43.420 152.310 17 HG23 THR 3 HG23 THR 3 -35.764 42.326 153.610 18 H THR 4 H THR 4 -31.031 41.897 154.117 19 HA THR 4 HA THR 4 -30.585 39.281 152.906 20 HB THR 4 HB THR 4 -28.892 40.806 151.867 21 HG1 THR 4 HG1 THR 4 -28.043 38.781 153.654 22 HG21 THR 4 HG21 THR 4 -27.199 41.831 153.198 23 HG22 THR 4 HG22 THR 4 -27.710 40.960 154.644 24 HG23 THR 4 HG23 THR 4 -28.728 42.237 153.977 25 H THR 5 H THR 5 -30.159 37.734 154.400 26 HA THR 5 HA THR 5 -29.136 38.403 157.026 27 HB THR 5 HB THR 5 -31.362 38.939 157.565 28 HG1 THR 5 HG1 THR 5 -31.981 36.547 158.383 29 HG21 THR 5 HG21 THR 5 -32.505 38.267 155.575 30 HG22 THR 5 HG22 THR 5 -33.249 37.368 156.897 31 HG23 THR 5 HG23 THR 5 -32.092 36.572 155.830 32 HA PRO 6 HA PRO 6 -28.285 34.088 155.540 33 HB2 PRO 6 HB2 PRO 6 -25.468 34.583 155.890 34 HB3 PRO 6 HB3 PRO 6 -26.350 34.292 154.383 35 HG2 PRO 6 HG2 PRO 6 -25.172 36.679 155.118 36 HG3 PRO 6 HG3 PRO 6 -26.417 36.482 153.878 37 HD2 PRO 6 HD2 PRO 6 -26.685 37.504 156.666 38 HD3 PRO 6 HD3 PRO 6 -27.626 37.915 155.211 39 H LEU 7 H LEU 7 -26.805 32.407 156.679 40 HA LEU 7 HA LEU 7 -27.547 32.080 159.311 41 HB2 LEU 7 HB2 LEU 7 -25.924 30.703 157.486 42 HB3 LEU 7 HB3 LEU 7 -24.903 30.978 158.896 43 HG LEU 7 HG LEU 7 -26.130 28.881 159.173 44 HD11 LEU 7 HD11 LEU 7 -26.019 30.953 161.001 45 HD12 LEU 7 HD12 LEU 7 -26.491 29.295 161.373 46 HD13 LEU 7 HD13 LEU 7 -27.725 30.506 161.027 47 HD21 LEU 7 HD21 LEU 7 -28.196 30.333 157.890 48 HD22 LEU 7 HD22 LEU 7 -28.792 29.946 159.504 49 HD23 LEU 7 HD23 LEU 7 -28.247 28.656 158.433 50 H LYS 8 H LYS 8 -24.199 32.906 158.381 51 HA LYS 8 HA LYS 8 -24.083 34.998 160.391 52 HB2 LYS 8 HB2 LYS 8 -23.651 32.793 161.594 53 HB3 LYS 8 HB3 LYS 8 -22.170 32.677 160.643 54 HG2 LYS 8 HG2 LYS 8 -21.529 34.957 161.497 55 HG3 LYS 8 HG3 LYS 8 -22.926 34.888 162.572 56 HD2 LYS 8 HD2 LYS 8 -21.377 33.986 164.007 57 HD3 LYS 8 HD3 LYS 8 -21.819 32.504 163.160 58 HE2 LYS 8 HE2 LYS 8 -19.947 33.136 161.489 59 HE3 LYS 8 HE3 LYS 8 -19.398 34.252 162.739 60 HZ1 LYS 8 HZ1 LYS 8 -19.085 32.487 164.247 61 HZ2 LYS 8 HZ2 LYS 8 -18.380 31.979 162.789 62 HZ3 LYS 8 HZ3 LYS 8 -19.899 31.379 163.255 63 HN1 NH2 9 HN1 NH2 9 -21.731 33.847 157.396 64 HN2 NH2 9 HN2 NH2 9 -21.076 33.312 158.868 Start of MODEL 7 1 H1 ACE 1 H1 ACE 1 -31.352 42.946 147.197 2 H2 ACE 1 H2 ACE 1 -32.779 42.209 147.927 3 H3 ACE 1 H3 ACE 1 -31.342 41.233 147.617 4 HA PRO 2 HA PRO 2 -29.733 44.406 150.991 5 HB2 PRO 2 HB2 PRO 2 -32.107 45.640 152.059 6 HB3 PRO 2 HB3 PRO 2 -30.728 46.420 151.269 7 HG2 PRO 2 HG2 PRO 2 -33.354 45.744 150.187 8 HG3 PRO 2 HG3 PRO 2 -32.144 46.889 149.588 9 HD2 PRO 2 HD2 PRO 2 -32.718 44.523 148.330 10 HD3 PRO 2 HD3 PRO 2 -31.126 45.312 148.241 11 H THR 3 H THR 3 -32.759 42.664 151.071 12 HA THR 3 HA THR 3 -33.046 42.189 153.810 13 HB THR 3 HB THR 3 -33.646 40.147 151.669 14 HG1 THR 3 HG1 THR 3 -35.669 41.312 151.556 15 HG21 THR 3 HG21 THR 3 -33.943 39.618 154.132 16 HG22 THR 3 HG22 THR 3 -35.404 39.475 153.156 17 HG23 THR 3 HG23 THR 3 -35.163 40.891 154.179 18 H THR 4 H THR 4 -31.217 41.706 154.945 19 HA THR 4 HA THR 4 -29.436 39.589 154.016 20 HB THR 4 HB THR 4 -29.287 41.181 156.584 21 HG1 THR 4 HG1 THR 4 -27.613 42.258 155.161 22 HG21 THR 4 HG21 THR 4 -27.400 40.019 156.972 23 HG22 THR 4 HG22 THR 4 -26.801 40.352 155.347 24 HG23 THR 4 HG23 THR 4 -27.849 38.963 155.633 25 H THR 5 H THR 5 -31.009 37.863 154.174 26 HA THR 5 HA THR 5 -32.046 37.154 156.786 27 HB THR 5 HB THR 5 -32.199 35.044 154.808 28 HG1 THR 5 HG1 THR 5 -32.188 36.443 153.191 29 HG21 THR 5 HG21 THR 5 -34.604 35.338 155.228 30 HG22 THR 5 HG22 THR 5 -34.278 36.861 156.057 31 HG23 THR 5 HG23 THR 5 -33.704 35.342 156.745 32 HA PRO 6 HA PRO 6 -28.741 33.717 156.198 33 HB2 PRO 6 HB2 PRO 6 -26.777 34.627 154.296 34 HB3 PRO 6 HB3 PRO 6 -27.862 33.235 154.169 35 HG2 PRO 6 HG2 PRO 6 -27.995 35.521 152.624 36 HG3 PRO 6 HG3 PRO 6 -29.298 34.344 152.840 37 HD2 PRO 6 HD2 PRO 6 -28.964 37.033 154.087 38 HD3 PRO 6 HD3 PRO 6 -30.454 36.149 153.683 39 H LEU 7 H LEU 7 -27.875 34.141 158.178 40 HA LEU 7 HA LEU 7 -26.383 36.474 158.821 41 HB2 LEU 7 HB2 LEU 7 -26.879 33.841 160.175 42 HB3 LEU 7 HB3 LEU 7 -25.687 34.963 160.831 43 HG LEU 7 HG LEU 7 -27.367 36.723 160.989 44 HD11 LEU 7 HD11 LEU 7 -29.797 35.998 160.512 45 HD12 LEU 7 HD12 LEU 7 -29.088 34.671 159.590 46 HD13 LEU 7 HD13 LEU 7 -28.773 36.341 159.116 47 HD21 LEU 7 HD21 LEU 7 -28.538 35.863 162.833 48 HD22 LEU 7 HD22 LEU 7 -27.164 34.763 162.717 49 HD23 LEU 7 HD23 LEU 7 -28.738 34.278 162.087 50 H LYS 8 H LYS 8 -24.135 35.877 160.061 51 HA LYS 8 HA LYS 8 -21.894 35.481 159.750 52 HB2 LYS 8 HB2 LYS 8 -22.738 33.187 157.976 53 HB3 LYS 8 HB3 LYS 8 -21.255 33.340 158.919 54 HG2 LYS 8 HG2 LYS 8 -22.591 33.312 161.006 55 HG3 LYS 8 HG3 LYS 8 -24.060 33.109 160.049 56 HD2 LYS 8 HD2 LYS 8 -23.705 30.894 159.869 57 HD3 LYS 8 HD3 LYS 8 -22.074 31.162 159.253 58 HE2 LYS 8 HE2 LYS 8 -22.804 31.292 162.191 59 HE3 LYS 8 HE3 LYS 8 -22.149 29.854 161.406 60 HZ1 LYS 8 HZ1 LYS 8 -20.743 32.407 161.079 61 HZ2 LYS 8 HZ2 LYS 8 -20.123 30.824 161.096 62 HZ3 LYS 8 HZ3 LYS 8 -20.581 31.576 162.548 63 HN1 NH2 9 HN1 NH2 9 -21.672 35.325 155.731 64 HN2 NH2 9 HN2 NH2 9 -21.628 33.982 156.768 Start of MODEL 8 1 H1 ACE 1 H1 ACE 1 -35.183 47.329 151.446 2 H2 ACE 1 H2 ACE 1 -34.572 46.624 152.943 3 H3 ACE 1 H3 ACE 1 -36.247 46.356 152.461 4 HA PRO 2 HA PRO 2 -33.767 44.053 148.913 5 HB2 PRO 2 HB2 PRO 2 -31.064 43.853 149.890 6 HB3 PRO 2 HB3 PRO 2 -31.638 44.636 148.409 7 HG2 PRO 2 HG2 PRO 2 -30.907 45.820 150.976 8 HG3 PRO 2 HG3 PRO 2 -31.053 46.576 149.383 9 HD2 PRO 2 HD2 PRO 2 -32.827 47.026 151.420 10 HD3 PRO 2 HD3 PRO 2 -33.273 47.130 149.701 11 H THR 3 H THR 3 -32.806 41.812 148.954 12 HA THR 3 HA THR 3 -33.481 40.515 151.511 13 HB THR 3 HB THR 3 -33.152 39.268 148.773 14 HG1 THR 3 HG1 THR 3 -35.323 39.435 148.610 15 HG21 THR 3 HG21 THR 3 -34.392 37.394 149.843 16 HG22 THR 3 HG22 THR 3 -34.311 38.253 151.382 17 HG23 THR 3 HG23 THR 3 -32.830 37.691 150.608 18 H THR 4 H THR 4 -31.574 40.719 152.661 19 HA THR 4 HA THR 4 -29.425 38.935 151.817 20 HB THR 4 HB THR 4 -28.710 41.061 150.862 21 HG1 THR 4 HG1 THR 4 -26.798 40.623 151.564 22 HG21 THR 4 HG21 THR 4 -29.961 42.113 153.193 23 HG22 THR 4 HG22 THR 4 -29.252 43.004 151.847 24 HG23 THR 4 HG23 THR 4 -28.261 42.583 153.244 25 H THR 5 H THR 5 -30.519 37.848 153.663 26 HA THR 5 HA THR 5 -30.158 39.004 156.296 27 HB THR 5 HB THR 5 -32.039 37.685 156.342 28 HG1 THR 5 HG1 THR 5 -30.178 35.608 156.751 29 HG21 THR 5 HG21 THR 5 -30.573 35.975 154.337 30 HG22 THR 5 HG22 THR 5 -32.082 36.864 154.127 31 HG23 THR 5 HG23 THR 5 -32.047 35.409 155.123 32 HA PRO 6 HA PRO 6 -26.023 37.294 156.477 33 HB2 PRO 6 HB2 PRO 6 -25.687 38.648 158.999 34 HB3 PRO 6 HB3 PRO 6 -25.006 39.081 157.424 35 HG2 PRO 6 HG2 PRO 6 -26.926 40.520 158.794 36 HG3 PRO 6 HG3 PRO 6 -26.565 40.661 157.067 37 HD2 PRO 6 HD2 PRO 6 -28.832 39.262 158.408 38 HD3 PRO 6 HD3 PRO 6 -28.768 40.039 156.810 39 H LEU 7 H LEU 7 -26.330 35.130 156.924 40 HA LEU 7 HA LEU 7 -27.210 34.355 159.618 41 HB2 LEU 7 HB2 LEU 7 -28.123 33.330 157.418 42 HB3 LEU 7 HB3 LEU 7 -26.599 32.445 157.377 43 HG LEU 7 HG LEU 7 -27.238 31.949 159.918 44 HD11 LEU 7 HD11 LEU 7 -29.984 31.923 158.707 45 HD12 LEU 7 HD12 LEU 7 -29.377 33.418 159.420 46 HD13 LEU 7 HD13 LEU 7 -29.515 31.963 160.407 47 HD21 LEU 7 HD21 LEU 7 -28.322 29.848 159.118 48 HD22 LEU 7 HD22 LEU 7 -26.859 30.235 158.210 49 HD23 LEU 7 HD23 LEU 7 -28.445 30.555 157.506 50 H LYS 8 H LYS 8 -25.519 34.492 160.999 51 HA LYS 8 HA LYS 8 -23.511 33.995 161.996 52 HB2 LYS 8 HB2 LYS 8 -24.416 31.645 160.958 53 HB3 LYS 8 HB3 LYS 8 -22.850 31.784 160.159 54 HG2 LYS 8 HG2 LYS 8 -21.911 32.340 162.497 55 HG3 LYS 8 HG3 LYS 8 -23.440 31.717 163.119 56 HD2 LYS 8 HD2 LYS 8 -22.212 29.760 163.117 57 HD3 LYS 8 HD3 LYS 8 -22.866 29.694 161.480 58 HE2 LYS 8 HE2 LYS 8 -20.600 29.338 161.072 59 HE3 LYS 8 HE3 LYS 8 -20.712 31.087 160.878 60 HZ1 LYS 8 HZ1 LYS 8 -19.526 29.527 163.047 61 HZ2 LYS 8 HZ2 LYS 8 -20.269 31.000 163.454 62 HZ3 LYS 8 HZ3 LYS 8 -18.993 30.970 162.334 63 HN1 NH2 9 HN1 NH2 9 -21.025 33.197 161.037 64 HN2 NH2 9 HN2 NH2 9 -20.496 34.417 159.984 Start of MODEL 9 1 H1 ACE 1 H1 ACE 1 -35.271 46.464 149.947 2 H2 ACE 1 H2 ACE 1 -36.326 46.612 151.354 3 H3 ACE 1 H3 ACE 1 -36.927 45.858 149.876 4 HA PRO 2 HA PRO 2 -35.840 41.751 150.926 5 HB2 PRO 2 HB2 PRO 2 -33.652 41.372 149.091 6 HB3 PRO 2 HB3 PRO 2 -35.319 40.799 148.939 7 HG2 PRO 2 HG2 PRO 2 -34.021 43.101 147.697 8 HG3 PRO 2 HG3 PRO 2 -35.510 42.261 147.240 9 HD2 PRO 2 HD2 PRO 2 -35.485 44.774 148.330 10 HD3 PRO 2 HD3 PRO 2 -36.842 43.641 148.528 11 H THR 3 H THR 3 -32.754 43.319 150.021 12 HA THR 3 HA THR 3 -30.681 43.224 151.044 13 HB THR 3 HB THR 3 -30.664 44.252 153.213 14 HG1 THR 3 HG1 THR 3 -33.382 43.457 153.320 15 HG21 THR 3 HG21 THR 3 -33.119 45.589 152.440 16 HG22 THR 3 HG22 THR 3 -32.109 45.258 151.032 17 HG23 THR 3 HG23 THR 3 -31.461 46.186 152.384 18 H THR 4 H THR 4 -30.076 41.070 150.843 19 HA THR 4 HA THR 4 -30.919 39.151 152.875 20 HB THR 4 HB THR 4 -28.839 38.529 150.819 21 HG1 THR 4 HG1 THR 4 -30.224 39.446 149.466 22 HG21 THR 4 HG21 THR 4 -31.261 37.035 151.863 23 HG22 THR 4 HG22 THR 4 -29.620 36.855 152.486 24 HG23 THR 4 HG23 THR 4 -29.992 36.375 150.830 25 H THR 5 H THR 5 -29.852 38.931 154.723 26 HA THR 5 HA THR 5 -27.238 40.132 155.083 27 HB THR 5 HB THR 5 -27.792 40.166 157.266 28 HG1 THR 5 HG1 THR 5 -28.837 37.547 157.122 29 HG21 THR 5 HG21 THR 5 -30.408 38.904 156.420 30 HG22 THR 5 HG22 THR 5 -29.998 40.587 156.085 31 HG23 THR 5 HG23 THR 5 -30.138 40.028 157.752 32 HA PRO 6 HA PRO 6 -24.770 36.501 154.879 33 HB2 PRO 6 HB2 PRO 6 -23.537 36.670 157.479 34 HB3 PRO 6 HB3 PRO 6 -22.892 37.212 155.922 35 HG2 PRO 6 HG2 PRO 6 -23.653 38.858 158.006 36 HG3 PRO 6 HG3 PRO 6 -23.446 39.356 156.321 37 HD2 PRO 6 HD2 PRO 6 -25.962 38.819 157.830 38 HD3 PRO 6 HD3 PRO 6 -25.669 39.937 156.479 39 H LEU 7 H LEU 7 -23.993 34.452 156.150 40 HA LEU 7 HA LEU 7 -26.385 33.180 157.209 41 HB2 LEU 7 HB2 LEU 7 -24.525 32.226 155.562 42 HB3 LEU 7 HB3 LEU 7 -23.764 31.763 157.085 43 HG LEU 7 HG LEU 7 -26.582 31.058 156.217 44 HD11 LEU 7 HD11 LEU 7 -25.679 28.737 156.248 45 HD12 LEU 7 HD12 LEU 7 -24.075 29.389 156.584 46 HD13 LEU 7 HD13 LEU 7 -24.871 29.750 155.053 47 HD21 LEU 7 HD21 LEU 7 -26.666 31.288 158.572 48 HD22 LEU 7 HD22 LEU 7 -25.036 30.646 158.778 49 HD23 LEU 7 HD23 LEU 7 -26.358 29.569 158.326 50 H LYS 8 H LYS 8 -26.841 33.364 159.304 51 HA LYS 8 HA LYS 8 -26.606 33.434 161.587 52 HB2 LYS 8 HB2 LYS 8 -25.504 31.212 161.086 53 HB3 LYS 8 HB3 LYS 8 -23.955 32.056 161.136 54 HG2 LYS 8 HG2 LYS 8 -23.976 31.710 163.367 55 HG3 LYS 8 HG3 LYS 8 -25.263 32.914 163.445 56 HD2 LYS 8 HD2 LYS 8 -26.949 31.142 163.135 57 HD3 LYS 8 HD3 LYS 8 -25.666 29.934 163.049 58 HE2 LYS 8 HE2 LYS 8 -26.532 29.932 165.308 59 HE3 LYS 8 HE3 LYS 8 -24.928 30.665 165.344 60 HZ1 LYS 8 HZ1 LYS 8 -27.323 32.344 164.998 61 HZ2 LYS 8 HZ2 LYS 8 -25.797 32.769 165.610 62 HZ3 LYS 8 HZ3 LYS 8 -26.860 31.832 166.548 63 HN1 NH2 9 HN1 NH2 9 -23.148 33.774 162.244 64 HN2 NH2 9 HN2 NH2 9 -22.886 34.856 160.964 Start of MODEL 10 1 H1 ACE 1 H1 ACE 1 -28.151 42.580 146.787 2 H2 ACE 1 H2 ACE 1 -29.667 43.008 145.993 3 H3 ACE 1 H3 ACE 1 -29.392 41.353 146.536 4 HA PRO 2 HA PRO 2 -31.810 44.209 149.616 5 HB2 PRO 2 HB2 PRO 2 -33.649 42.001 149.816 6 HB3 PRO 2 HB3 PRO 2 -33.958 43.629 149.194 7 HG2 PRO 2 HG2 PRO 2 -33.448 41.148 147.742 8 HG3 PRO 2 HG3 PRO 2 -34.181 42.657 147.179 9 HD2 PRO 2 HD2 PRO 2 -31.689 41.825 146.404 10 HD3 PRO 2 HD3 PRO 2 -32.160 43.537 146.489 11 H THR 3 H THR 3 -31.732 43.893 151.845 12 HA THR 3 HA THR 3 -30.228 41.520 152.722 13 HB THR 3 HB THR 3 -30.769 43.843 154.521 14 HG1 THR 3 HG1 THR 3 -28.939 43.791 152.357 15 HG21 THR 3 HG21 THR 3 -28.706 43.215 155.483 16 HG22 THR 3 HG22 THR 3 -28.202 42.340 154.037 17 HG23 THR 3 HG23 THR 3 -29.469 41.679 155.069 18 H THR 4 H THR 4 -31.041 40.078 154.147 19 HA THR 4 HA THR 4 -33.477 40.674 155.636 20 HB THR 4 HB THR 4 -34.625 38.643 154.786 21 HG1 THR 4 HG1 THR 4 -32.862 38.643 152.617 22 HG21 THR 4 HG21 THR 4 -33.898 40.474 152.495 23 HG22 THR 4 HG22 THR 4 -34.934 40.992 153.825 24 HG23 THR 4 HG23 THR 4 -35.432 39.656 152.787 25 H THR 5 H THR 5 -31.047 40.348 156.768 26 HA THR 5 HA THR 5 -29.844 39.106 158.286 27 HB THR 5 HB THR 5 -32.462 37.637 158.660 28 HG1 THR 5 HG1 THR 5 -31.862 40.211 158.979 29 HG21 THR 5 HG21 THR 5 -31.587 37.462 161.006 30 HG22 THR 5 HG22 THR 5 -30.065 38.149 160.440 31 HG23 THR 5 HG23 THR 5 -30.612 36.591 159.824 32 HA PRO 6 HA PRO 6 -29.357 35.570 155.339 33 HB2 PRO 6 HB2 PRO 6 -26.619 36.381 154.953 34 HB3 PRO 6 HB3 PRO 6 -27.944 36.399 153.779 35 HG2 PRO 6 HG2 PRO 6 -26.715 38.628 154.858 36 HG3 PRO 6 HG3 PRO 6 -28.286 38.604 154.048 37 HD2 PRO 6 HD2 PRO 6 -27.674 38.743 156.960 38 HD3 PRO 6 HD3 PRO 6 -29.074 39.378 156.066 39 H LEU 7 H LEU 7 -27.062 34.173 155.291 40 HA LEU 7 HA LEU 7 -26.950 32.979 157.882 41 HB2 LEU 7 HB2 LEU 7 -25.481 32.548 155.297 42 HB3 LEU 7 HB3 LEU 7 -24.974 31.715 156.766 43 HG LEU 7 HG LEU 7 -27.259 30.806 157.034 44 HD11 LEU 7 HD11 LEU 7 -28.663 32.425 156.043 45 HD12 LEU 7 HD12 LEU 7 -28.739 31.065 154.924 46 HD13 LEU 7 HD13 LEU 7 -27.721 32.457 154.552 47 HD21 LEU 7 HD21 LEU 7 -25.441 30.221 154.837 48 HD22 LEU 7 HD22 LEU 7 -27.100 29.794 154.422 49 HD23 LEU 7 HD23 LEU 7 -26.347 29.106 155.858 50 H LYS 8 H LYS 8 -24.517 32.376 158.589 51 HA LYS 8 HA LYS 8 -22.729 34.661 158.510 52 HB2 LYS 8 HB2 LYS 8 -24.129 35.441 160.281 53 HB3 LYS 8 HB3 LYS 8 -24.173 33.847 161.035 54 HG2 LYS 8 HG2 LYS 8 -21.982 34.009 161.823 55 HG3 LYS 8 HG3 LYS 8 -21.531 35.211 160.614 56 HD2 LYS 8 HD2 LYS 8 -22.793 36.928 161.733 57 HD3 LYS 8 HD3 LYS 8 -23.526 35.752 162.826 58 HE2 LYS 8 HE2 LYS 8 -20.571 36.423 162.694 59 HE3 LYS 8 HE3 LYS 8 -21.690 36.974 163.940 60 HZ1 LYS 8 HZ1 LYS 8 -22.151 34.602 164.421 61 HZ2 LYS 8 HZ2 LYS 8 -20.548 35.063 164.746 62 HZ3 LYS 8 HZ3 LYS 8 -20.912 34.173 163.346 63 HN1 NH2 9 HN1 NH2 9 -23.417 31.427 159.918 64 HN2 NH2 9 HN2 NH2 9 -21.792 31.043 160.220 Start of MODEL 11 1 H1 ACE 1 H1 ACE 1 -28.510 45.795 149.382 2 H2 ACE 1 H2 ACE 1 -30.183 46.348 149.284 3 H3 ACE 1 H3 ACE 1 -29.540 45.261 148.054 4 HA PRO 2 HA PRO 2 -30.730 41.529 150.006 5 HB2 PRO 2 HB2 PRO 2 -28.131 40.590 150.818 6 HB3 PRO 2 HB3 PRO 2 -29.098 40.070 149.431 7 HG2 PRO 2 HG2 PRO 2 -26.832 41.909 149.535 8 HG3 PRO 2 HG3 PRO 2 -27.523 41.042 148.155 9 HD2 PRO 2 HD2 PRO 2 -27.764 43.749 148.495 10 HD3 PRO 2 HD3 PRO 2 -28.964 42.767 147.623 11 H THR 3 H THR 3 -31.730 41.564 151.930 12 HA THR 3 HA THR 3 -30.123 42.006 154.359 13 HB THR 3 HB THR 3 -32.861 43.172 154.308 14 HG1 THR 3 HG1 THR 3 -30.970 44.953 153.540 15 HG21 THR 3 HG21 THR 3 -31.262 43.094 156.291 16 HG22 THR 3 HG22 THR 3 -31.900 44.688 155.887 17 HG23 THR 3 HG23 THR 3 -30.259 44.247 155.411 18 H THR 4 H THR 4 -31.989 39.956 152.700 19 HA THR 4 HA THR 4 -33.680 39.038 154.895 20 HB THR 4 HB THR 4 -34.791 38.840 152.844 21 HG1 THR 4 HG1 THR 4 -35.020 36.897 153.821 22 HG21 THR 4 HG21 THR 4 -33.099 39.301 151.262 23 HG22 THR 4 HG22 THR 4 -33.592 37.650 150.889 24 HG23 THR 4 HG23 THR 4 -32.109 37.943 151.797 25 H THR 5 H THR 5 -33.212 37.386 156.220 26 HA THR 5 HA THR 5 -31.957 35.783 157.293 27 HB THR 5 HB THR 5 -31.226 34.837 154.522 28 HG1 THR 5 HG1 THR 5 -33.213 33.821 154.497 29 HG21 THR 5 HG21 THR 5 -32.027 33.045 156.757 30 HG22 THR 5 HG22 THR 5 -30.468 33.856 156.910 31 HG23 THR 5 HG23 THR 5 -30.789 32.819 155.521 32 HA PRO 6 HA PRO 6 -27.993 38.024 156.467 33 HB2 PRO 6 HB2 PRO 6 -27.984 38.847 159.229 34 HB3 PRO 6 HB3 PRO 6 -28.162 39.856 157.785 35 HG2 PRO 6 HG2 PRO 6 -30.134 39.372 159.658 36 HG3 PRO 6 HG3 PRO 6 -30.396 39.974 158.016 37 HD2 PRO 6 HD2 PRO 6 -30.810 37.227 159.100 38 HD3 PRO 6 HD3 PRO 6 -31.660 38.064 157.782 39 H LEU 7 H LEU 7 -28.618 35.214 157.320 40 HA LEU 7 HA LEU 7 -27.054 34.449 159.534 41 HB2 LEU 7 HB2 LEU 7 -28.745 33.012 158.362 42 HB3 LEU 7 HB3 LEU 7 -27.585 32.809 157.049 43 HG LEU 7 HG LEU 7 -25.935 31.924 158.711 44 HD11 LEU 7 HD11 LEU 7 -27.369 31.087 160.851 45 HD12 LEU 7 HD12 LEU 7 -28.188 32.613 160.519 46 HD13 LEU 7 HD13 LEU 7 -26.454 32.594 160.838 47 HD21 LEU 7 HD21 LEU 7 -26.956 30.166 157.595 48 HD22 LEU 7 HD22 LEU 7 -28.570 30.627 158.132 49 HD23 LEU 7 HD23 LEU 7 -27.471 29.814 159.245 50 H LYS 8 H LYS 8 -24.937 33.806 159.742 51 HA LYS 8 HA LYS 8 -23.179 33.726 157.429 52 HB2 LYS 8 HB2 LYS 8 -22.916 35.854 159.563 53 HB3 LYS 8 HB3 LYS 8 -21.628 35.431 158.436 54 HG2 LYS 8 HG2 LYS 8 -23.341 35.848 156.570 55 HG3 LYS 8 HG3 LYS 8 -24.335 36.614 157.808 56 HD2 LYS 8 HD2 LYS 8 -21.877 37.765 158.259 57 HD3 LYS 8 HD3 LYS 8 -21.888 37.594 156.503 58 HE2 LYS 8 HE2 LYS 8 -24.094 38.720 156.418 59 HE3 LYS 8 HE3 LYS 8 -24.046 38.923 158.170 60 HZ1 LYS 8 HZ1 LYS 8 -22.502 40.542 158.036 61 HZ2 LYS 8 HZ2 LYS 8 -23.155 40.752 156.482 62 HZ3 LYS 8 HZ3 LYS 8 -21.723 39.863 156.691 63 HN1 NH2 9 HN1 NH2 9 -21.428 32.290 157.870 64 HN2 NH2 9 HN2 NH2 9 -20.818 32.016 159.430 Start of MODEL 12 1 H1 ACE 1 H1 ACE 1 -32.459 43.559 145.685 2 H2 ACE 1 H2 ACE 1 -32.250 41.829 145.962 3 H3 ACE 1 H3 ACE 1 -30.838 42.871 145.787 4 HA PRO 2 HA PRO 2 -32.850 44.553 149.929 5 HB2 PRO 2 HB2 PRO 2 -34.796 42.567 150.683 6 HB3 PRO 2 HB3 PRO 2 -35.058 44.285 150.347 7 HG2 PRO 2 HG2 PRO 2 -35.532 41.962 148.642 8 HG3 PRO 2 HG3 PRO 2 -36.176 43.605 148.519 9 HD2 PRO 2 HD2 PRO 2 -34.327 42.589 146.773 10 HD3 PRO 2 HD3 PRO 2 -34.454 44.321 147.154 11 H THR 3 H THR 3 -30.941 43.966 150.895 12 HA THR 3 HA THR 3 -30.213 41.233 151.393 13 HB THR 3 HB THR 3 -29.022 43.689 152.689 14 HG1 THR 3 HG1 THR 3 -28.815 44.169 150.609 15 HG21 THR 3 HG21 THR 3 -26.987 42.280 152.680 16 HG22 THR 3 HG22 THR 3 -27.913 40.965 151.954 17 HG23 THR 3 HG23 THR 3 -28.298 41.520 153.583 18 H THR 4 H THR 4 -31.005 39.997 152.959 19 HA THR 4 HA THR 4 -31.460 41.111 155.616 20 HB THR 4 HB THR 4 -33.625 41.413 154.437 21 HG1 THR 4 HG1 THR 4 -33.263 39.674 156.584 22 HG21 THR 4 HG21 THR 4 -34.039 38.464 154.384 23 HG22 THR 4 HG22 THR 4 -33.053 39.161 153.099 24 HG23 THR 4 HG23 THR 4 -34.710 39.714 153.335 25 H THR 5 H THR 5 -31.685 39.472 157.250 26 HA THR 5 HA THR 5 -30.963 37.538 158.264 27 HB THR 5 HB THR 5 -31.815 35.489 157.329 28 HG1 THR 5 HG1 THR 5 -31.042 35.882 155.195 29 HG21 THR 5 HG21 THR 5 -33.487 37.080 158.208 30 HG22 THR 5 HG22 THR 5 -34.149 36.129 156.878 31 HG23 THR 5 HG23 THR 5 -33.643 37.796 156.604 32 HA PRO 6 HA PRO 6 -27.113 37.373 155.701 33 HB2 PRO 6 HB2 PRO 6 -25.643 38.276 158.010 34 HB3 PRO 6 HB3 PRO 6 -25.910 39.125 156.481 35 HG2 PRO 6 HG2 PRO 6 -26.964 39.854 158.928 36 HG3 PRO 6 HG3 PRO 6 -27.560 40.384 157.349 37 HD2 PRO 6 HD2 PRO 6 -28.681 38.321 159.186 38 HD3 PRO 6 HD3 PRO 6 -29.516 39.376 158.024 39 H LEU 7 H LEU 7 -24.804 36.544 156.813 40 HA LEU 7 HA LEU 7 -25.411 33.835 157.609 41 HB2 LEU 7 HB2 LEU 7 -23.255 35.152 156.354 42 HB3 LEU 7 HB3 LEU 7 -22.621 34.503 157.867 43 HG LEU 7 HG LEU 7 -23.672 32.296 157.287 44 HD11 LEU 7 HD11 LEU 7 -23.864 32.765 154.450 45 HD12 LEU 7 HD12 LEU 7 -24.929 33.883 155.303 46 HD13 LEU 7 HD13 LEU 7 -25.096 32.145 155.550 47 HD21 LEU 7 HD21 LEU 7 -22.066 32.119 155.103 48 HD22 LEU 7 HD22 LEU 7 -21.450 32.138 156.755 49 HD23 LEU 7 HD23 LEU 7 -21.468 33.623 155.804 50 H LYS 8 H LYS 8 -23.788 32.957 159.403 51 HA LYS 8 HA LYS 8 -24.582 34.308 161.849 52 HB2 LYS 8 HB2 LYS 8 -22.991 31.763 161.453 53 HB3 LYS 8 HB3 LYS 8 -23.676 32.334 162.975 54 HG2 LYS 8 HG2 LYS 8 -25.505 31.121 162.420 55 HG3 LYS 8 HG3 LYS 8 -25.847 32.405 161.259 56 HD2 LYS 8 HD2 LYS 8 -24.348 31.143 159.623 57 HD3 LYS 8 HD3 LYS 8 -24.399 29.796 160.762 58 HE2 LYS 8 HE2 LYS 8 -26.962 30.036 160.660 59 HE3 LYS 8 HE3 LYS 8 -26.690 31.038 159.235 60 HZ1 LYS 8 HZ1 LYS 8 -27.054 28.671 158.714 61 HZ2 LYS 8 HZ2 LYS 8 -25.641 28.282 159.573 62 HZ3 LYS 8 HZ3 LYS 8 -25.551 29.241 158.173 63 HN1 NH2 9 HN1 NH2 9 -20.770 33.427 162.056 64 HN2 NH2 9 HN2 NH2 9 -21.769 33.684 163.404 Start of MODEL 13 1 H1 ACE 1 H1 ACE 1 -31.440 46.740 149.153 2 H2 ACE 1 H2 ACE 1 -30.708 46.877 150.752 3 H3 ACE 1 H3 ACE 1 -32.462 46.928 150.577 4 HA PRO 2 HA PRO 2 -31.425 42.364 149.123 5 HB2 PRO 2 HB2 PRO 2 -28.693 41.918 149.920 6 HB3 PRO 2 HB3 PRO 2 -29.386 41.837 148.293 7 HG2 PRO 2 HG2 PRO 2 -27.851 43.974 149.557 8 HG3 PRO 2 HG3 PRO 2 -28.170 43.674 147.844 9 HD2 PRO 2 HD2 PRO 2 -29.295 45.749 149.234 10 HD3 PRO 2 HD3 PRO 2 -30.076 44.981 147.832 11 H THR 3 H THR 3 -32.627 41.550 150.769 12 HA THR 3 HA THR 3 -31.605 41.650 153.513 13 HB THR 3 HB THR 3 -34.011 40.354 153.655 14 HG1 THR 3 HG1 THR 3 -34.641 40.561 151.606 15 HG21 THR 3 HG21 THR 3 -33.377 43.314 153.635 16 HG22 THR 3 HG22 THR 3 -33.431 42.241 155.034 17 HG23 THR 3 HG23 THR 3 -34.919 42.654 154.181 18 H THR 4 H THR 4 -29.921 40.120 153.361 19 HA THR 4 HA THR 4 -30.581 37.390 152.568 20 HB THR 4 HB THR 4 -28.112 37.048 153.272 21 HG1 THR 4 HG1 THR 4 -28.029 39.839 152.932 22 HG21 THR 4 HG21 THR 4 -28.500 37.032 150.971 23 HG22 THR 4 HG22 THR 4 -27.410 38.408 151.139 24 HG23 THR 4 HG23 THR 4 -29.145 38.673 150.969 25 H THR 5 H THR 5 -31.754 38.715 154.990 26 HA THR 5 HA THR 5 -32.171 38.258 157.211 27 HB THR 5 HB THR 5 -32.981 36.159 157.415 28 HG1 THR 5 HG1 THR 5 -30.675 34.989 156.306 29 HG21 THR 5 HG21 THR 5 -33.096 36.795 154.888 30 HG22 THR 5 HG22 THR 5 -33.452 35.134 155.360 31 HG23 THR 5 HG23 THR 5 -31.873 35.540 154.688 32 HA PRO 6 HA PRO 6 -28.532 37.892 159.648 33 HB2 PRO 6 HB2 PRO 6 -29.527 36.051 161.631 34 HB3 PRO 6 HB3 PRO 6 -29.428 37.817 161.725 35 HG2 PRO 6 HG2 PRO 6 -31.761 36.344 161.588 36 HG3 PRO 6 HG3 PRO 6 -31.606 38.070 161.228 37 HD2 PRO 6 HD2 PRO 6 -31.833 35.767 159.346 38 HD3 PRO 6 HD3 PRO 6 -32.370 37.451 159.146 39 H LEU 7 H LEU 7 -28.875 35.782 157.540 40 HA LEU 7 HA LEU 7 -28.165 33.237 158.175 41 HB2 LEU 7 HB2 LEU 7 -28.297 34.535 155.856 42 HB3 LEU 7 HB3 LEU 7 -26.542 34.538 156.038 43 HG LEU 7 HG LEU 7 -28.336 32.094 156.129 44 HD11 LEU 7 HD11 LEU 7 -26.136 32.615 154.147 45 HD12 LEU 7 HD12 LEU 7 -27.731 33.324 153.891 46 HD13 LEU 7 HD13 LEU 7 -27.549 31.572 153.989 47 HD21 LEU 7 HD21 LEU 7 -26.536 31.637 157.600 48 HD22 LEU 7 HD22 LEU 7 -25.384 32.521 156.601 49 HD23 LEU 7 HD23 LEU 7 -26.006 30.962 156.059 50 H LYS 8 H LYS 8 -25.687 35.702 157.438 51 HA LYS 8 HA LYS 8 -23.684 34.153 158.865 52 HB2 LYS 8 HB2 LYS 8 -23.270 35.412 156.691 53 HB3 LYS 8 HB3 LYS 8 -23.341 36.893 157.646 54 HG2 LYS 8 HG2 LYS 8 -21.120 36.552 157.968 55 HG3 LYS 8 HG3 LYS 8 -21.640 35.348 159.148 56 HD2 LYS 8 HD2 LYS 8 -21.656 33.641 157.303 57 HD3 LYS 8 HD3 LYS 8 -20.949 34.858 156.238 58 HE2 LYS 8 HE2 LYS 8 -19.727 33.884 158.838 59 HE3 LYS 8 HE3 LYS 8 -19.206 33.403 157.223 60 HZ1 LYS 8 HZ1 LYS 8 -18.559 35.611 156.731 61 HZ2 LYS 8 HZ2 LYS 8 -17.900 35.243 158.253 62 HZ3 LYS 8 HZ3 LYS 8 -19.284 36.222 158.137 63 HN1 NH2 9 HN1 NH2 9 -23.824 37.827 160.521 64 HN2 NH2 9 HN2 NH2 9 -22.541 37.151 159.640 Start of MODEL 14 1 H1 ACE 1 H1 ACE 1 -33.151 47.495 152.708 2 H2 ACE 1 H2 ACE 1 -34.760 46.989 153.227 3 H3 ACE 1 H3 ACE 1 -34.420 47.228 151.514 4 HA PRO 2 HA PRO 2 -33.980 42.684 153.146 5 HB2 PRO 2 HB2 PRO 2 -35.564 41.978 150.847 6 HB3 PRO 2 HB3 PRO 2 -35.971 41.783 152.558 7 HG2 PRO 2 HG2 PRO 2 -36.821 43.838 150.665 8 HG3 PRO 2 HG3 PRO 2 -37.533 43.365 152.214 9 HD2 PRO 2 HD2 PRO 2 -36.212 45.734 151.836 10 HD3 PRO 2 HD3 PRO 2 -36.289 44.904 153.407 11 H THR 3 H THR 3 -31.921 42.231 152.550 12 HA THR 3 HA THR 3 -31.374 41.904 149.671 13 HB THR 3 HB THR 3 -29.019 42.761 150.207 14 HG1 THR 3 HG1 THR 3 -29.731 44.451 152.074 15 HG21 THR 3 HG21 THR 3 -30.202 45.228 150.424 16 HG22 THR 3 HG22 THR 3 -31.529 44.245 149.804 17 HG23 THR 3 HG23 THR 3 -30.009 44.339 148.913 18 H THR 4 H THR 4 -28.745 41.655 151.830 19 HA THR 4 HA THR 4 -28.657 38.765 151.430 20 HB THR 4 HB THR 4 -26.560 39.718 151.029 21 HG1 THR 4 HG1 THR 4 -26.478 38.015 152.589 22 HG21 THR 4 HG21 THR 4 -27.123 41.435 153.454 23 HG22 THR 4 HG22 THR 4 -26.950 41.962 151.780 24 HG23 THR 4 HG23 THR 4 -25.546 41.369 152.668 25 H THR 5 H THR 5 -28.754 37.247 153.039 26 HA THR 5 HA THR 5 -28.841 38.016 155.831 27 HB THR 5 HB THR 5 -31.293 36.705 154.651 28 HG1 THR 5 HG1 THR 5 -31.866 39.092 155.513 29 HG21 THR 5 HG21 THR 5 -32.037 36.587 156.786 30 HG22 THR 5 HG22 THR 5 -31.437 38.199 157.174 31 HG23 THR 5 HG23 THR 5 -30.347 36.814 157.237 32 HA PRO 6 HA PRO 6 -27.338 33.734 154.917 33 HB2 PRO 6 HB2 PRO 6 -24.923 34.371 156.354 34 HB3 PRO 6 HB3 PRO 6 -25.113 34.030 154.628 35 HG2 PRO 6 HG2 PRO 6 -24.435 36.477 155.717 36 HG3 PRO 6 HG3 PRO 6 -25.069 36.213 154.086 37 HD2 PRO 6 HD2 PRO 6 -26.477 37.230 156.510 38 HD3 PRO 6 HD3 PRO 6 -26.775 37.588 154.793 39 H LEU 7 H LEU 7 -25.924 32.395 156.784 40 HA LEU 7 HA LEU 7 -27.801 32.139 158.950 41 HB2 LEU 7 HB2 LEU 7 -26.495 30.252 157.805 42 HB3 LEU 7 HB3 LEU 7 -25.117 30.779 158.771 43 HG LEU 7 HG LEU 7 -27.032 30.680 160.691 44 HD11 LEU 7 HD11 LEU 7 -28.521 28.866 160.368 45 HD12 LEU 7 HD12 LEU 7 -27.633 28.280 158.961 46 HD13 LEU 7 HD13 LEU 7 -28.588 29.759 158.848 47 HD21 LEU 7 HD21 LEU 7 -26.120 28.275 161.066 48 HD22 LEU 7 HD22 LEU 7 -24.961 29.606 161.060 49 HD23 LEU 7 HD23 LEU 7 -25.138 28.582 159.634 50 H LYS 8 H LYS 8 -27.479 34.377 159.749 51 HA LYS 8 HA LYS 8 -25.563 34.367 161.933 52 HB2 LYS 8 HB2 LYS 8 -25.445 36.419 159.715 53 HB3 LYS 8 HB3 LYS 8 -24.678 36.632 161.289 54 HG2 LYS 8 HG2 LYS 8 -23.535 34.372 160.858 55 HG3 LYS 8 HG3 LYS 8 -24.068 34.550 159.186 56 HD2 LYS 8 HD2 LYS 8 -22.886 36.696 159.016 57 HD3 LYS 8 HD3 LYS 8 -22.384 36.567 160.702 58 HE2 LYS 8 HE2 LYS 8 -20.886 34.837 160.265 59 HE3 LYS 8 HE3 LYS 8 -21.741 34.329 158.809 60 HZ1 LYS 8 HZ1 LYS 8 -20.371 36.944 159.013 61 HZ2 LYS 8 HZ2 LYS 8 -20.914 36.152 157.612 62 HZ3 LYS 8 HZ3 LYS 8 -19.578 35.546 158.470 63 HN1 NH2 9 HN1 NH2 9 -28.426 36.034 160.380 64 HN2 NH2 9 HN2 NH2 9 -28.174 37.418 161.331 Start of MODEL 15 1 H1 ACE 1 H1 ACE 1 -35.399 42.047 146.674 2 H2 ACE 1 H2 ACE 1 -35.312 40.296 146.870 3 H3 ACE 1 H3 ACE 1 -33.939 41.178 146.202 4 HA PRO 2 HA PRO 2 -33.792 40.324 150.974 5 HB2 PRO 2 HB2 PRO 2 -31.104 39.422 150.469 6 HB3 PRO 2 HB3 PRO 2 -32.476 38.486 151.077 7 HG2 PRO 2 HG2 PRO 2 -31.359 38.615 148.382 8 HG3 PRO 2 HG3 PRO 2 -32.413 37.395 149.112 9 HD2 PRO 2 HD2 PRO 2 -33.264 39.147 147.187 10 HD3 PRO 2 HD3 PRO 2 -34.345 38.455 148.418 11 H THR 3 H THR 3 -33.359 42.189 151.994 12 HA THR 3 HA THR 3 -31.304 43.988 150.910 13 HB THR 3 HB THR 3 -33.171 45.291 151.271 14 HG1 THR 3 HG1 THR 3 -32.896 46.287 153.379 15 HG21 THR 3 HG21 THR 3 -33.741 43.417 153.568 16 HG22 THR 3 HG22 THR 3 -34.691 43.667 152.104 17 HG23 THR 3 HG23 THR 3 -34.636 44.920 153.345 18 H THR 4 H THR 4 -32.169 42.182 153.810 19 HA THR 4 HA THR 4 -29.407 42.368 154.732 20 HB THR 4 HB THR 4 -31.067 42.824 157.021 21 HG1 THR 4 HG1 THR 4 -31.843 44.872 156.434 22 HG21 THR 4 HG21 THR 4 -28.672 43.320 156.864 23 HG22 THR 4 HG22 THR 4 -29.571 44.787 157.251 24 HG23 THR 4 HG23 THR 4 -28.988 44.517 155.609 25 H THR 5 H THR 5 -28.959 40.256 154.871 26 HA THR 5 HA THR 5 -30.430 38.622 156.756 27 HB THR 5 HB THR 5 -30.241 37.694 153.884 28 HG1 THR 5 HG1 THR 5 -32.009 39.319 155.118 29 HG21 THR 5 HG21 THR 5 -30.885 35.694 154.687 30 HG22 THR 5 HG22 THR 5 -32.202 36.429 155.600 31 HG23 THR 5 HG23 THR 5 -30.591 36.320 156.308 32 HA PRO 6 HA PRO 6 -25.908 37.725 156.341 33 HB2 PRO 6 HB2 PRO 6 -25.653 38.149 159.180 34 HB3 PRO 6 HB3 PRO 6 -24.974 39.117 157.863 35 HG2 PRO 6 HG2 PRO 6 -26.963 39.935 159.596 36 HG3 PRO 6 HG3 PRO 6 -26.594 40.669 158.029 37 HD2 PRO 6 HD2 PRO 6 -28.814 38.817 158.763 38 HD3 PRO 6 HD3 PRO 6 -28.766 40.094 157.526 39 H LEU 7 H LEU 7 -25.824 35.550 156.117 40 HA LEU 7 HA LEU 7 -27.061 33.787 158.072 41 HB2 LEU 7 HB2 LEU 7 -27.064 33.400 155.551 42 HB3 LEU 7 HB3 LEU 7 -25.360 32.975 155.714 43 HG LEU 7 HG LEU 7 -26.333 31.443 157.683 44 HD11 LEU 7 HD11 LEU 7 -28.506 30.536 157.123 45 HD12 LEU 7 HD12 LEU 7 -28.582 31.505 155.651 46 HD13 LEU 7 HD13 LEU 7 -28.664 32.289 157.229 47 HD21 LEU 7 HD21 LEU 7 -26.088 30.973 154.726 48 HD22 LEU 7 HD22 LEU 7 -26.679 29.672 155.759 49 HD23 LEU 7 HD23 LEU 7 -25.079 30.361 156.037 50 H LYS 8 H LYS 8 -26.039 33.079 159.822 51 HA LYS 8 HA LYS 8 -24.370 32.516 161.297 52 HB2 LYS 8 HB2 LYS 8 -23.649 31.389 158.737 53 HB3 LYS 8 HB3 LYS 8 -22.202 31.835 159.643 54 HG2 LYS 8 HG2 LYS 8 -24.489 30.226 160.811 55 HG3 LYS 8 HG3 LYS 8 -23.029 29.506 160.129 56 HD2 LYS 8 HD2 LYS 8 -22.315 31.611 161.973 57 HD3 LYS 8 HD3 LYS 8 -23.390 30.458 162.765 58 HE2 LYS 8 HE2 LYS 8 -20.889 29.716 161.217 59 HE3 LYS 8 HE3 LYS 8 -21.000 29.801 162.975 60 HZ1 LYS 8 HZ1 LYS 8 -22.880 28.171 162.774 61 HZ2 LYS 8 HZ2 LYS 8 -21.340 27.561 162.393 62 HZ3 LYS 8 HZ3 LYS 8 -22.431 27.957 161.153 63 HN1 NH2 9 HN1 NH2 9 -21.812 33.582 161.982 64 HN2 NH2 9 HN2 NH2 9 -21.059 33.861 160.487 Start of MODEL 16 1 H1 ACE 1 H1 ACE 1 -34.266 43.083 145.791 2 H2 ACE 1 H2 ACE 1 -32.915 44.211 145.675 3 H3 ACE 1 H3 ACE 1 -34.224 44.518 146.816 4 HA PRO 2 HA PRO 2 -30.347 42.221 148.605 5 HB2 PRO 2 HB2 PRO 2 -30.507 44.150 150.737 6 HB3 PRO 2 HB3 PRO 2 -29.201 43.919 149.565 7 HG2 PRO 2 HG2 PRO 2 -31.342 45.905 149.598 8 HG3 PRO 2 HG3 PRO 2 -29.805 45.914 148.720 9 HD2 PRO 2 HD2 PRO 2 -32.227 45.570 147.490 10 HD3 PRO 2 HD3 PRO 2 -30.711 44.892 146.857 11 H THR 3 H THR 3 -30.454 40.860 150.416 12 HA THR 3 HA THR 3 -33.143 40.437 151.470 13 HB THR 3 HB THR 3 -32.321 38.322 152.251 14 HG1 THR 3 HG1 THR 3 -30.098 37.861 152.146 15 HG21 THR 3 HG21 THR 3 -31.736 37.320 150.199 16 HG22 THR 3 HG22 THR 3 -30.841 38.741 149.660 17 HG23 THR 3 HG23 THR 3 -32.604 38.778 149.717 18 H THR 4 H THR 4 -32.277 39.188 153.912 19 HA THR 4 HA THR 4 -31.007 41.299 155.476 20 HB THR 4 HB THR 4 -33.004 42.217 156.014 21 HG1 THR 4 HG1 THR 4 -33.720 39.877 157.363 22 HG21 THR 4 HG21 THR 4 -35.175 40.989 155.680 23 HG22 THR 4 HG22 THR 4 -34.242 39.608 155.104 24 HG23 THR 4 HG23 THR 4 -34.201 41.132 154.216 25 H THR 5 H THR 5 -30.886 40.605 157.839 26 HA THR 5 HA THR 5 -29.975 39.095 159.319 27 HB THR 5 HB THR 5 -31.289 36.936 159.485 28 HG1 THR 5 HG1 THR 5 -32.999 38.128 157.598 29 HG21 THR 5 HG21 THR 5 -32.732 39.596 159.421 30 HG22 THR 5 HG22 THR 5 -31.956 38.838 160.811 31 HG23 THR 5 HG23 THR 5 -33.416 38.129 160.120 32 HA PRO 6 HA PRO 6 -27.796 37.153 155.470 33 HB2 PRO 6 HB2 PRO 6 -25.388 38.234 156.623 34 HB3 PRO 6 HB3 PRO 6 -26.147 38.654 155.080 35 HG2 PRO 6 HG2 PRO 6 -26.239 40.055 157.642 36 HG3 PRO 6 HG3 PRO 6 -26.600 40.649 156.015 37 HD2 PRO 6 HD2 PRO 6 -28.526 40.232 157.916 38 HD3 PRO 6 HD3 PRO 6 -28.841 40.110 156.170 39 H LEU 7 H LEU 7 -25.872 35.642 155.671 40 HA LEU 7 HA LEU 7 -26.144 34.104 158.156 41 HB2 LEU 7 HB2 LEU 7 -24.898 33.402 155.487 42 HB3 LEU 7 HB3 LEU 7 -24.988 32.315 156.873 43 HG LEU 7 HG LEU 7 -27.522 33.616 155.995 44 HD11 LEU 7 HD11 LEU 7 -27.848 31.762 154.323 45 HD12 LEU 7 HD12 LEU 7 -26.137 31.372 154.499 46 HD13 LEU 7 HD13 LEU 7 -26.622 32.938 153.849 47 HD21 LEU 7 HD21 LEU 7 -26.817 30.797 156.871 48 HD22 LEU 7 HD22 LEU 7 -28.441 31.465 156.711 49 HD23 LEU 7 HD23 LEU 7 -27.354 32.079 157.957 50 H LYS 8 H LYS 8 -24.333 33.387 159.339 51 HA LYS 8 HA LYS 8 -22.126 35.279 159.345 52 HB2 LYS 8 HB2 LYS 8 -21.545 33.362 161.245 53 HB3 LYS 8 HB3 LYS 8 -22.428 34.860 161.540 54 HG2 LYS 8 HG2 LYS 8 -24.552 33.755 161.183 55 HG3 LYS 8 HG3 LYS 8 -23.743 32.273 160.669 56 HD2 LYS 8 HD2 LYS 8 -22.653 32.194 162.956 57 HD3 LYS 8 HD3 LYS 8 -23.728 33.509 163.433 58 HE2 LYS 8 HE2 LYS 8 -24.815 31.482 164.102 59 HE3 LYS 8 HE3 LYS 8 -25.664 32.046 162.663 60 HZ1 LYS 8 HZ1 LYS 8 -23.469 30.049 162.633 61 HZ2 LYS 8 HZ2 LYS 8 -24.444 30.513 161.322 62 HZ3 LYS 8 HZ3 LYS 8 -25.117 29.652 162.622 63 HN1 NH2 9 HN1 NH2 9 -20.631 31.520 158.663 64 HN2 NH2 9 HN2 NH2 9 -21.957 31.700 159.708 Start of MODEL 17 1 H1 ACE 1 H1 ACE 1 -33.413 36.184 152.169 2 H2 ACE 1 H2 ACE 1 -33.264 35.883 150.438 3 H3 ACE 1 H3 ACE 1 -34.731 36.621 151.081 4 HA PRO 2 HA PRO 2 -33.448 40.777 150.611 5 HB2 PRO 2 HB2 PRO 2 -33.073 41.451 153.386 6 HB3 PRO 2 HB3 PRO 2 -34.443 41.849 152.339 7 HG2 PRO 2 HG2 PRO 2 -34.185 39.744 154.345 8 HG3 PRO 2 HG3 PRO 2 -35.640 40.438 153.615 9 HD2 PRO 2 HD2 PRO 2 -34.754 37.904 153.069 10 HD3 PRO 2 HD3 PRO 2 -35.690 38.878 151.912 11 H THR 3 H THR 3 -31.623 42.283 150.930 12 HA THR 3 HA THR 3 -29.115 40.903 150.929 13 HB THR 3 HB THR 3 -29.471 42.860 149.510 14 HG1 THR 3 HG1 THR 3 -27.622 44.112 150.386 15 HG21 THR 3 HG21 THR 3 -29.659 44.410 152.108 16 HG22 THR 3 HG22 THR 3 -31.024 44.040 151.053 17 HG23 THR 3 HG23 THR 3 -29.726 45.088 150.482 18 H THR 4 H THR 4 -31.072 41.942 153.417 19 HA THR 4 HA THR 4 -28.917 42.716 155.227 20 HB THR 4 HB THR 4 -31.915 42.589 155.442 21 HG1 THR 4 HG1 THR 4 -30.949 44.453 154.604 22 HG21 THR 4 HG21 THR 4 -31.373 41.753 157.561 23 HG22 THR 4 HG22 THR 4 -31.405 43.494 157.838 24 HG23 THR 4 HG23 THR 4 -29.864 42.661 157.639 25 H THR 5 H THR 5 -28.047 41.444 156.775 26 HA THR 5 HA THR 5 -27.427 39.497 157.832 27 HB THR 5 HB THR 5 -30.367 38.824 157.857 28 HG1 THR 5 HG1 THR 5 -28.987 40.559 159.619 29 HG21 THR 5 HG21 THR 5 -28.244 37.475 158.868 30 HG22 THR 5 HG22 THR 5 -29.843 37.457 159.610 31 HG23 THR 5 HG23 THR 5 -28.599 38.549 160.221 32 HA PRO 6 HA PRO 6 -27.946 36.984 153.980 33 HB2 PRO 6 HB2 PRO 6 -25.074 36.918 153.743 34 HB3 PRO 6 HB3 PRO 6 -26.244 37.704 152.673 35 HG2 PRO 6 HG2 PRO 6 -24.423 39.004 154.292 36 HG3 PRO 6 HG3 PRO 6 -25.873 39.727 153.582 37 HD2 PRO 6 HD2 PRO 6 -25.408 38.803 156.378 38 HD3 PRO 6 HD3 PRO 6 -26.458 40.105 155.777 39 H LEU 7 H LEU 7 -28.574 35.115 155.038 40 HA LEU 7 HA LEU 7 -28.398 33.139 156.222 41 HB2 LEU 7 HB2 LEU 7 -25.927 33.201 154.496 42 HB3 LEU 7 HB3 LEU 7 -26.329 31.806 155.498 43 HG LEU 7 HG LEU 7 -28.515 31.619 154.387 44 HD11 LEU 7 HD11 LEU 7 -27.563 34.146 153.063 45 HD12 LEU 7 HD12 LEU 7 -29.136 33.793 153.777 46 HD13 LEU 7 HD13 LEU 7 -28.693 33.084 152.224 47 HD21 LEU 7 HD21 LEU 7 -26.758 31.871 152.020 48 HD22 LEU 7 HD22 LEU 7 -27.637 30.467 152.624 49 HD23 LEU 7 HD23 LEU 7 -26.089 30.913 153.341 50 H LYS 8 H LYS 8 -27.655 35.325 157.793 51 HA LYS 8 HA LYS 8 -26.597 35.825 159.768 52 HB2 LYS 8 HB2 LYS 8 -27.324 33.338 160.106 53 HB3 LYS 8 HB3 LYS 8 -25.602 32.998 159.927 54 HG2 LYS 8 HG2 LYS 8 -25.377 34.995 161.667 55 HG3 LYS 8 HG3 LYS 8 -27.021 34.509 162.084 56 HD2 LYS 8 HD2 LYS 8 -26.133 32.121 162.246 57 HD3 LYS 8 HD3 LYS 8 -24.514 32.819 162.168 58 HE2 LYS 8 HE2 LYS 8 -25.076 32.565 164.502 59 HE3 LYS 8 HE3 LYS 8 -25.147 34.287 164.125 60 HZ1 LYS 8 HZ1 LYS 8 -27.628 32.923 163.656 61 HZ2 LYS 8 HZ2 LYS 8 -27.321 34.350 164.527 62 HZ3 LYS 8 HZ3 LYS 8 -27.131 32.836 165.275 63 HN1 NH2 9 HN1 NH2 9 -23.701 33.811 159.972 64 HN2 NH2 9 HN2 NH2 9 -23.232 35.410 160.295 Start of MODEL 18 1 H1 ACE 1 H1 ACE 1 -38.301 43.678 149.456 2 H2 ACE 1 H2 ACE 1 -37.553 43.680 147.858 3 H3 ACE 1 H3 ACE 1 -37.158 44.949 149.018 4 HA PRO 2 HA PRO 2 -34.125 41.169 148.904 5 HB2 PRO 2 HB2 PRO 2 -32.051 43.167 148.821 6 HB3 PRO 2 HB3 PRO 2 -32.454 41.955 147.595 7 HG2 PRO 2 HG2 PRO 2 -33.135 44.793 147.700 8 HG3 PRO 2 HG3 PRO 2 -33.133 43.681 146.324 9 HD2 PRO 2 HD2 PRO 2 -35.429 44.661 147.453 10 HD3 PRO 2 HD3 PRO 2 -35.345 43.086 146.632 11 H THR 3 H THR 3 -32.361 40.849 150.527 12 HA THR 3 HA THR 3 -32.380 42.664 152.813 13 HB THR 3 HB THR 3 -32.696 40.254 154.098 14 HG1 THR 3 HG1 THR 3 -34.091 40.286 151.681 15 HG21 THR 3 HG21 THR 3 -34.985 41.132 154.616 16 HG22 THR 3 HG22 THR 3 -34.750 42.356 153.368 17 HG23 THR 3 HG23 THR 3 -33.714 42.343 154.795 18 H THR 4 H THR 4 -30.269 42.979 153.114 19 HA THR 4 HA THR 4 -28.355 40.850 152.542 20 HB THR 4 HB THR 4 -27.993 43.738 153.371 21 HG1 THR 4 HG1 THR 4 -28.025 44.058 151.312 22 HG21 THR 4 HG21 THR 4 -26.065 41.476 152.980 23 HG22 THR 4 HG22 THR 4 -26.045 42.765 154.184 24 HG23 THR 4 HG23 THR 4 -25.581 43.107 152.517 25 H THR 5 H THR 5 -28.840 39.388 154.234 26 HA THR 5 HA THR 5 -27.470 40.004 156.714 27 HB THR 5 HB THR 5 -29.461 39.285 158.096 28 HG1 THR 5 HG1 THR 5 -30.963 40.020 155.831 29 HG21 THR 5 HG21 THR 5 -30.023 41.796 156.522 30 HG22 THR 5 HG22 THR 5 -28.672 41.692 157.649 31 HG23 THR 5 HG23 THR 5 -30.324 41.488 158.232 32 HA PRO 6 HA PRO 6 -27.279 35.601 155.301 33 HB2 PRO 6 HB2 PRO 6 -24.405 35.782 155.411 34 HB3 PRO 6 HB3 PRO 6 -25.436 35.571 153.988 35 HG2 PRO 6 HG2 PRO 6 -23.943 37.821 154.570 36 HG3 PRO 6 HG3 PRO 6 -25.302 37.746 153.439 37 HD2 PRO 6 HD2 PRO 6 -25.223 38.832 156.215 38 HD3 PRO 6 HD3 PRO 6 -26.231 39.324 154.835 39 H LEU 7 H LEU 7 -27.497 34.127 156.877 40 HA LEU 7 HA LEU 7 -26.327 34.625 159.505 41 HB2 LEU 7 HB2 LEU 7 -28.576 33.074 158.434 42 HB3 LEU 7 HB3 LEU 7 -27.664 32.228 159.686 43 HG LEU 7 HG LEU 7 -29.528 33.648 160.592 44 HD11 LEU 7 HD11 LEU 7 -27.335 35.103 161.760 45 HD12 LEU 7 HD12 LEU 7 -26.832 33.441 161.447 46 HD13 LEU 7 HD13 LEU 7 -28.252 33.761 162.442 47 HD21 LEU 7 HD21 LEU 7 -29.708 35.863 160.097 48 HD22 LEU 7 HD22 LEU 7 -28.665 35.478 158.728 49 HD23 LEU 7 HD23 LEU 7 -27.968 36.122 160.213 50 H LYS 8 H LYS 8 -25.799 32.276 160.584 51 HA LYS 8 HA LYS 8 -23.397 31.424 159.185 52 HB2 LYS 8 HB2 LYS 8 -24.450 30.318 161.787 53 HB3 LYS 8 HB3 LYS 8 -22.783 30.357 161.209 54 HG2 LYS 8 HG2 LYS 8 -23.108 32.946 161.184 55 HG3 LYS 8 HG3 LYS 8 -24.468 32.620 162.259 56 HD2 LYS 8 HD2 LYS 8 -22.838 32.786 163.864 57 HD3 LYS 8 HD3 LYS 8 -22.600 31.088 163.453 58 HE2 LYS 8 HE2 LYS 8 -20.977 32.002 161.628 59 HE3 LYS 8 HE3 LYS 8 -20.983 33.478 162.593 60 HZ1 LYS 8 HZ1 LYS 8 -20.529 30.883 163.899 61 HZ2 LYS 8 HZ2 LYS 8 -20.013 32.430 164.373 62 HZ3 LYS 8 HZ3 LYS 8 -19.252 31.638 163.078 63 HN1 NH2 9 HN1 NH2 9 -23.495 29.458 157.748 64 HN2 NH2 9 HN2 NH2 9 -23.917 28.080 158.646 Start of MODEL 19 1 H1 ACE 1 H1 ACE 1 -33.259 44.614 145.870 2 H2 ACE 1 H2 ACE 1 -34.654 44.848 146.924 3 H3 ACE 1 H3 ACE 1 -34.438 43.317 146.073 4 HA PRO 2 HA PRO 2 -30.582 43.368 149.100 5 HB2 PRO 2 HB2 PRO 2 -31.130 45.476 150.985 6 HB3 PRO 2 HB3 PRO 2 -29.745 45.315 149.894 7 HG2 PRO 2 HG2 PRO 2 -32.150 46.950 149.621 8 HG3 PRO 2 HG3 PRO 2 -30.588 47.090 148.801 9 HD2 PRO 2 HD2 PRO 2 -32.870 46.254 147.539 10 HD3 PRO 2 HD3 PRO 2 -31.241 45.745 147.040 11 H THR 3 H THR 3 -30.756 41.901 150.719 12 HA THR 3 HA THR 3 -32.681 42.113 152.835 13 HB THR 3 HB THR 3 -34.168 41.338 151.027 14 HG1 THR 3 HG1 THR 3 -34.107 40.472 153.326 15 HG21 THR 3 HG21 THR 3 -32.993 38.664 150.848 16 HG22 THR 3 HG22 THR 3 -31.945 39.918 150.185 17 HG23 THR 3 HG23 THR 3 -33.585 39.719 149.564 18 H THR 4 H THR 4 -30.473 41.958 153.763 19 HA THR 4 HA THR 4 -29.227 39.321 153.667 20 HB THR 4 HB THR 4 -28.464 41.877 155.096 21 HG1 THR 4 HG1 THR 4 -28.066 40.859 152.629 22 HG21 THR 4 HG21 THR 4 -27.499 39.097 155.331 23 HG22 THR 4 HG22 THR 4 -27.327 40.449 156.451 24 HG23 THR 4 HG23 THR 4 -26.235 40.301 155.075 25 H THR 5 H THR 5 -30.367 37.843 154.807 26 HA THR 5 HA THR 5 -31.616 38.514 157.335 27 HB THR 5 HB THR 5 -32.837 36.656 156.979 28 HG1 THR 5 HG1 THR 5 -31.891 34.674 156.775 29 HG21 THR 5 HG21 THR 5 -31.271 36.356 154.409 30 HG22 THR 5 HG22 THR 5 -32.497 37.600 154.649 31 HG23 THR 5 HG23 THR 5 -32.947 35.895 154.706 32 HA PRO 6 HA PRO 6 -28.520 36.997 160.061 33 HB2 PRO 6 HB2 PRO 6 -30.117 35.082 161.505 34 HB3 PRO 6 HB3 PRO 6 -29.722 36.745 161.962 35 HG2 PRO 6 HG2 PRO 6 -32.230 35.824 161.261 36 HG3 PRO 6 HG3 PRO 6 -31.720 37.518 161.273 37 HD2 PRO 6 HD2 PRO 6 -32.058 35.673 158.956 38 HD3 PRO 6 HD3 PRO 6 -32.251 37.439 159.035 39 H LEU 7 H LEU 7 -26.966 35.833 158.998 40 HA LEU 7 HA LEU 7 -27.261 32.904 159.024 41 HB2 LEU 7 HB2 LEU 7 -27.732 33.963 156.717 42 HB3 LEU 7 HB3 LEU 7 -26.001 34.303 156.676 43 HG LEU 7 HG LEU 7 -25.875 31.733 157.418 44 HD11 LEU 7 HD11 LEU 7 -28.455 31.709 157.358 45 HD12 LEU 7 HD12 LEU 7 -27.620 30.397 156.527 46 HD13 LEU 7 HD13 LEU 7 -28.289 31.741 155.602 47 HD21 LEU 7 HD21 LEU 7 -26.179 32.957 154.677 48 HD22 LEU 7 HD22 LEU 7 -25.853 31.234 154.866 49 HD23 LEU 7 HD23 LEU 7 -24.706 32.421 155.486 50 H LYS 8 H LYS 8 -24.849 35.280 157.891 51 HA LYS 8 HA LYS 8 -23.015 34.538 160.018 52 HB2 LYS 8 HB2 LYS 8 -22.802 32.810 158.116 53 HB3 LYS 8 HB3 LYS 8 -22.076 34.123 157.187 54 HG2 LYS 8 HG2 LYS 8 -20.165 33.291 158.169 55 HG3 LYS 8 HG3 LYS 8 -20.657 34.408 159.442 56 HD2 LYS 8 HD2 LYS 8 -21.849 32.564 160.588 57 HD3 LYS 8 HD3 LYS 8 -21.317 31.449 159.327 58 HE2 LYS 8 HE2 LYS 8 -19.070 32.951 160.377 59 HE3 LYS 8 HE3 LYS 8 -19.925 32.118 161.676 60 HZ1 LYS 8 HZ1 LYS 8 -18.677 30.395 161.001 61 HZ2 LYS 8 HZ2 LYS 8 -18.423 31.029 159.446 62 HZ3 LYS 8 HZ3 LYS 8 -19.874 30.223 159.810 63 HN1 NH2 9 HN1 NH2 9 -22.283 35.900 156.763 64 HN2 NH2 9 HN2 NH2 9 -22.270 37.515 157.285 Start of MODEL 20 1 H1 ACE 1 H1 ACE 1 -34.370 39.077 148.311 2 H2 ACE 1 H2 ACE 1 -35.735 39.504 149.344 3 H3 ACE 1 H3 ACE 1 -34.141 39.242 150.052 4 HA PRO 2 HA PRO 2 -35.269 43.844 149.024 5 HB2 PRO 2 HB2 PRO 2 -34.320 44.399 151.686 6 HB3 PRO 2 HB3 PRO 2 -35.954 44.614 151.040 7 HG2 PRO 2 HG2 PRO 2 -34.878 42.468 152.700 8 HG3 PRO 2 HG3 PRO 2 -36.559 42.939 152.410 9 HD2 PRO 2 HD2 PRO 2 -35.457 40.639 151.410 10 HD3 PRO 2 HD3 PRO 2 -36.792 41.504 150.615 11 H THR 3 H THR 3 -32.667 42.734 151.214 12 HA THR 3 HA THR 3 -30.676 43.801 149.333 13 HB THR 3 HB THR 3 -29.470 44.935 151.131 14 HG1 THR 3 HG1 THR 3 -30.025 43.802 152.914 15 HG21 THR 3 HG21 THR 3 -30.820 46.830 151.198 16 HG22 THR 3 HG22 THR 3 -32.298 45.892 151.417 17 HG23 THR 3 HG23 THR 3 -31.520 45.955 149.835 18 H THR 4 H THR 4 -30.523 42.586 152.675 19 HA THR 4 HA THR 4 -29.334 40.081 151.769 20 HB THR 4 HB THR 4 -27.412 41.626 151.889 21 HG1 THR 4 HG1 THR 4 -26.237 40.166 152.894 22 HG21 THR 4 HG21 THR 4 -28.065 41.875 154.832 23 HG22 THR 4 HG22 THR 4 -28.504 43.100 153.642 24 HG23 THR 4 HG23 THR 4 -26.806 42.723 153.934 25 H THR 5 H THR 5 -28.429 39.029 154.048 26 HA THR 5 HA THR 5 -30.245 39.525 156.253 27 HB THR 5 HB THR 5 -31.061 37.125 156.221 28 HG1 THR 5 HG1 THR 5 -29.473 36.467 154.650 29 HG21 THR 5 HG21 THR 5 -32.923 37.660 154.863 30 HG22 THR 5 HG22 THR 5 -31.953 38.665 153.787 31 HG23 THR 5 HG23 THR 5 -32.324 39.222 155.418 32 HA PRO 6 HA PRO 6 -26.879 37.791 158.477 33 HB2 PRO 6 HB2 PRO 6 -28.528 36.732 160.590 34 HB3 PRO 6 HB3 PRO 6 -27.610 38.245 160.570 35 HG2 PRO 6 HG2 PRO 6 -30.364 38.038 160.569 36 HG3 PRO 6 HG3 PRO 6 -29.436 39.468 160.097 37 HD2 PRO 6 HD2 PRO 6 -30.800 37.457 158.370 38 HD3 PRO 6 HD3 PRO 6 -30.495 39.183 158.072 39 H LEU 7 H LEU 7 -25.990 35.779 159.437 40 HA LEU 7 HA LEU 7 -27.353 33.281 159.040 41 HB2 LEU 7 HB2 LEU 7 -26.525 34.087 156.704 42 HB3 LEU 7 HB3 LEU 7 -24.929 33.633 157.301 43 HG LEU 7 HG LEU 7 -26.254 31.423 158.026 44 HD11 LEU 7 HD11 LEU 7 -27.670 32.214 155.475 45 HD12 LEU 7 HD12 LEU 7 -28.386 32.476 157.065 46 HD13 LEU 7 HD13 LEU 7 -28.012 30.840 156.525 47 HD21 LEU 7 HD21 LEU 7 -24.376 31.140 156.657 48 HD22 LEU 7 HD22 LEU 7 -25.004 32.213 155.407 49 HD23 LEU 7 HD23 LEU 7 -25.677 30.594 155.599 50 H LYS 8 H LYS 8 -26.204 31.514 159.911 51 HA LYS 8 HA LYS 8 -24.793 30.496 161.411 52 HB2 LYS 8 HB2 LYS 8 -23.157 31.071 159.572 53 HB3 LYS 8 HB3 LYS 8 -22.739 32.516 160.494 54 HG2 LYS 8 HG2 LYS 8 -22.019 31.180 162.381 55 HG3 LYS 8 HG3 LYS 8 -22.598 29.703 161.612 56 HD2 LYS 8 HD2 LYS 8 -20.157 29.928 161.345 57 HD3 LYS 8 HD3 LYS 8 -20.969 30.016 159.782 58 HE2 LYS 8 HE2 LYS 8 -20.595 32.304 159.562 59 HE3 LYS 8 HE3 LYS 8 -20.452 32.550 161.303 60 HZ1 LYS 8 HZ1 LYS 8 -18.463 30.757 160.370 61 HZ2 LYS 8 HZ2 LYS 8 -18.277 32.232 161.194 62 HZ3 LYS 8 HZ3 LYS 8 -18.397 32.211 159.499 63 HN1 NH2 9 HN1 NH2 9 -25.306 30.883 163.569 64 HN2 NH2 9 HN2 NH2 9 -25.097 32.368 164.363 Start of MODEL 21 1 H1 ACE 1 H1 ACE 1 -33.456 42.990 155.379 2 H2 ACE 1 H2 ACE 1 -31.887 43.107 154.583 3 H3 ACE 1 H3 ACE 1 -32.432 41.562 155.236 4 HA PRO 2 HA PRO 2 -35.698 42.365 151.673 5 HB2 PRO 2 HB2 PRO 2 -34.605 44.527 150.116 6 HB3 PRO 2 HB3 PRO 2 -36.158 44.463 150.961 7 HG2 PRO 2 HG2 PRO 2 -33.657 45.739 151.761 8 HG3 PRO 2 HG3 PRO 2 -35.304 46.018 152.344 9 HD2 PRO 2 HD2 PRO 2 -33.373 44.788 153.848 10 HD3 PRO 2 HD3 PRO 2 -35.110 44.461 154.039 11 H THR 3 H THR 3 -32.252 42.643 151.554 12 HA THR 3 HA THR 3 -32.192 40.818 149.248 13 HB THR 3 HB THR 3 -31.459 42.519 147.955 14 HG1 THR 3 HG1 THR 3 -29.370 42.356 147.893 15 HG21 THR 3 HG21 THR 3 -32.229 44.267 149.386 16 HG22 THR 3 HG22 THR 3 -30.553 44.664 149.001 17 HG23 THR 3 HG23 THR 3 -30.955 43.957 150.566 18 H THR 4 H THR 4 -30.558 42.244 152.027 19 HA THR 4 HA THR 4 -28.466 40.209 151.974 20 HB THR 4 HB THR 4 -27.422 41.448 153.705 21 HG1 THR 4 HG1 THR 4 -30.024 42.155 154.234 22 HG21 THR 4 HG21 THR 4 -27.464 42.569 151.480 23 HG22 THR 4 HG22 THR 4 -27.365 43.719 152.813 24 HG23 THR 4 HG23 THR 4 -28.901 43.458 151.986 25 H THR 5 H THR 5 -28.317 38.499 153.346 26 HA THR 5 HA THR 5 -30.052 38.257 155.655 27 HB THR 5 HB THR 5 -30.609 35.851 154.410 28 HG1 THR 5 HG1 THR 5 -31.128 36.288 152.356 29 HG21 THR 5 HG21 THR 5 -32.136 37.228 155.777 30 HG22 THR 5 HG22 THR 5 -32.896 36.751 154.259 31 HG23 THR 5 HG23 THR 5 -32.269 38.388 154.455 32 HA PRO 6 HA PRO 6 -26.014 36.023 155.909 33 HB2 PRO 6 HB2 PRO 6 -25.514 37.407 158.387 34 HB3 PRO 6 HB3 PRO 6 -24.653 37.568 156.849 35 HG2 PRO 6 HG2 PRO 6 -26.244 39.504 158.009 36 HG3 PRO 6 HG3 PRO 6 -25.757 39.452 156.309 37 HD2 PRO 6 HD2 PRO 6 -28.373 38.720 157.541 38 HD3 PRO 6 HD3 PRO 6 -28.024 39.361 155.919 39 H LEU 7 H LEU 7 -26.271 34.006 156.665 40 HA LEU 7 HA LEU 7 -28.157 33.326 158.698 41 HB2 LEU 7 HB2 LEU 7 -26.136 31.855 157.066 42 HB3 LEU 7 HB3 LEU 7 -26.761 31.077 158.520 43 HG LEU 7 HG LEU 7 -28.699 32.357 156.628 44 HD11 LEU 7 HD11 LEU 7 -27.380 29.653 156.247 45 HD12 LEU 7 HD12 LEU 7 -27.309 31.023 155.139 46 HD13 LEU 7 HD13 LEU 7 -28.835 30.179 155.401 47 HD21 LEU 7 HD21 LEU 7 -29.004 29.713 158.015 48 HD22 LEU 7 HD22 LEU 7 -30.229 30.928 157.649 49 HD23 LEU 7 HD23 LEU 7 -29.095 31.191 158.974 50 H LYS 8 H LYS 8 -24.758 34.082 158.670 51 HA LYS 8 HA LYS 8 -24.295 33.031 161.340 52 HB2 LYS 8 HB2 LYS 8 -22.562 33.093 159.469 53 HB3 LYS 8 HB3 LYS 8 -22.462 34.831 159.755 54 HG2 LYS 8 HG2 LYS 8 -20.912 34.297 161.322 55 HG3 LYS 8 HG3 LYS 8 -22.290 33.808 162.310 56 HD2 LYS 8 HD2 LYS 8 -22.119 31.513 161.329 57 HD3 LYS 8 HD3 LYS 8 -20.658 32.023 160.481 58 HE2 LYS 8 HE2 LYS 8 -19.522 31.400 162.331 59 HE3 LYS 8 HE3 LYS 8 -20.208 32.826 163.109 60 HZ1 LYS 8 HZ1 LYS 8 -21.951 31.579 164.008 61 HZ2 LYS 8 HZ2 LYS 8 -20.575 30.611 164.244 62 HZ3 LYS 8 HZ3 LYS 8 -21.663 30.254 162.990 63 HN1 NH2 9 HN1 NH2 9 -24.367 36.965 160.647 64 HN2 NH2 9 HN2 NH2 9 -25.881 36.198 160.619 Start of MODEL 22 1 H1 ACE 1 H1 ACE 1 -35.090 42.617 149.264 2 H2 ACE 1 H2 ACE 1 -34.989 44.355 149.546 3 H3 ACE 1 H3 ACE 1 -34.890 43.235 150.904 4 HA PRO 2 HA PRO 2 -30.654 44.695 149.054 5 HB2 PRO 2 HB2 PRO 2 -29.918 45.178 151.797 6 HB3 PRO 2 HB3 PRO 2 -30.072 46.352 150.481 7 HG2 PRO 2 HG2 PRO 2 -31.934 45.723 152.641 8 HG3 PRO 2 HG3 PRO 2 -31.851 47.152 151.600 9 HD2 PRO 2 HD2 PRO 2 -33.837 45.274 151.408 10 HD3 PRO 2 HD3 PRO 2 -33.289 46.255 150.029 11 H THR 3 H THR 3 -30.955 43.318 152.337 12 HA THR 3 HA THR 3 -29.040 41.218 151.579 13 HB THR 3 HB THR 3 -28.582 42.588 153.611 14 HG1 THR 3 HG1 THR 3 -29.019 40.243 154.839 15 HG21 THR 3 HG21 THR 3 -30.582 41.196 155.238 16 HG22 THR 3 HG22 THR 3 -31.296 42.298 154.061 17 HG23 THR 3 HG23 THR 3 -30.125 42.899 155.234 18 H THR 4 H THR 4 -29.756 39.373 153.590 19 HA THR 4 HA THR 4 -32.529 38.610 153.095 20 HB THR 4 HB THR 4 -31.874 36.355 152.283 21 HG1 THR 4 HG1 THR 4 -29.586 36.491 151.379 22 HG21 THR 4 HG21 THR 4 -30.677 38.497 150.520 23 HG22 THR 4 HG22 THR 4 -32.416 38.339 150.766 24 HG23 THR 4 HG23 THR 4 -31.508 37.022 150.026 25 H THR 5 H THR 5 -30.860 39.374 155.401 26 HA THR 5 HA THR 5 -30.444 38.714 157.564 27 HB THR 5 HB THR 5 -32.500 36.555 157.176 28 HG1 THR 5 HG1 THR 5 -33.775 38.677 157.853 29 HG21 THR 5 HG21 THR 5 -31.145 37.327 159.366 30 HG22 THR 5 HG22 THR 5 -32.814 36.760 159.441 31 HG23 THR 5 HG23 THR 5 -32.469 38.490 159.437 32 HA PRO 6 HA PRO 6 -28.134 34.974 155.546 33 HB2 PRO 6 HB2 PRO 6 -25.743 36.305 156.447 34 HB3 PRO 6 HB3 PRO 6 -26.243 35.961 154.784 35 HG2 PRO 6 HG2 PRO 6 -26.424 38.448 156.303 36 HG3 PRO 6 HG3 PRO 6 -26.497 38.183 154.555 37 HD2 PRO 6 HD2 PRO 6 -28.675 38.905 156.052 38 HD3 PRO 6 HD3 PRO 6 -28.797 37.958 154.552 39 H LEU 7 H LEU 7 -26.728 33.492 156.759 40 HA LEU 7 HA LEU 7 -27.422 33.486 159.598 41 HB2 LEU 7 HB2 LEU 7 -26.301 31.183 159.471 42 HB3 LEU 7 HB3 LEU 7 -27.798 31.392 158.563 43 HG LEU 7 HG LEU 7 -25.329 32.107 157.097 44 HD11 LEU 7 HD11 LEU 7 -24.990 29.619 156.572 45 HD12 LEU 7 HD12 LEU 7 -25.934 29.294 158.026 46 HD13 LEU 7 HD13 LEU 7 -24.409 30.173 158.143 47 HD21 LEU 7 HD21 LEU 7 -27.691 32.047 156.183 48 HD22 LEU 7 HD22 LEU 7 -27.652 30.295 156.382 49 HD23 LEU 7 HD23 LEU 7 -26.531 31.082 155.271 50 H LYS 8 H LYS 8 -25.245 35.177 158.176 51 HA LYS 8 HA LYS 8 -23.176 36.013 158.716 52 HB2 LYS 8 HB2 LYS 8 -23.420 34.526 161.329 53 HB3 LYS 8 HB3 LYS 8 -22.559 36.032 161.004 54 HG2 LYS 8 HG2 LYS 8 -25.561 35.612 160.990 55 HG3 LYS 8 HG3 LYS 8 -24.631 36.589 162.128 56 HD2 LYS 8 HD2 LYS 8 -23.830 37.890 160.031 57 HD3 LYS 8 HD3 LYS 8 -25.195 37.127 159.216 58 HE2 LYS 8 HE2 LYS 8 -26.705 38.018 160.995 59 HE3 LYS 8 HE3 LYS 8 -25.326 38.864 161.697 60 HZ1 LYS 8 HZ1 LYS 8 -26.862 39.485 159.333 61 HZ2 LYS 8 HZ2 LYS 8 -25.180 39.602 159.122 62 HZ3 LYS 8 HZ3 LYS 8 -25.952 40.506 160.336 63 HN1 NH2 9 HN1 NH2 9 -22.796 32.140 159.341 64 HN2 NH2 9 HN2 NH2 9 -21.955 32.947 160.577 Start of MODEL 23 1 H1 ACE 1 H1 ACE 1 -35.523 46.408 150.007 2 H2 ACE 1 H2 ACE 1 -34.885 45.011 149.139 3 H3 ACE 1 H3 ACE 1 -34.117 46.589 148.959 4 HA PRO 2 HA PRO 2 -32.989 45.066 153.373 5 HB2 PRO 2 HB2 PRO 2 -33.798 42.316 153.679 6 HB3 PRO 2 HB3 PRO 2 -34.373 43.733 154.569 7 HG2 PRO 2 HG2 PRO 2 -35.865 42.242 152.785 8 HG3 PRO 2 HG3 PRO 2 -36.242 43.884 153.327 9 HD2 PRO 2 HD2 PRO 2 -35.051 42.981 150.747 10 HD3 PRO 2 HD3 PRO 2 -36.073 44.396 151.089 11 H THR 3 H THR 3 -31.818 42.703 154.237 12 HA THR 3 HA THR 3 -30.130 41.781 152.010 13 HB THR 3 HB THR 3 -28.097 42.168 153.268 14 HG1 THR 3 HG1 THR 3 -29.782 42.263 155.297 15 HG21 THR 3 HG21 THR 3 -27.962 44.458 152.921 16 HG22 THR 3 HG22 THR 3 -29.560 44.760 153.602 17 HG23 THR 3 HG23 THR 3 -29.406 44.073 151.985 18 H THR 4 H THR 4 -31.237 39.786 152.181 19 HA THR 4 HA THR 4 -31.104 38.333 154.708 20 HB THR 4 HB THR 4 -33.152 38.017 153.557 21 HG1 THR 4 HG1 THR 4 -32.436 35.726 152.546 22 HG21 THR 4 HG21 THR 4 -32.647 36.889 151.090 23 HG22 THR 4 HG22 THR 4 -31.404 38.135 151.205 24 HG23 THR 4 HG23 THR 4 -33.105 38.570 151.363 25 H THR 5 H THR 5 -28.686 38.417 154.613 26 HA THR 5 HA THR 5 -27.383 36.726 152.650 27 HB THR 5 HB THR 5 -25.443 37.153 154.436 28 HG1 THR 5 HG1 THR 5 -25.804 39.014 155.560 29 HG21 THR 5 HG21 THR 5 -24.929 39.233 153.194 30 HG22 THR 5 HG22 THR 5 -26.570 39.239 152.547 31 HG23 THR 5 HG23 THR 5 -25.454 37.943 152.113 32 HA PRO 6 HA PRO 6 -27.487 32.757 154.461 33 HB2 PRO 6 HB2 PRO 6 -24.641 32.475 154.804 34 HB3 PRO 6 HB3 PRO 6 -25.666 31.782 153.537 35 HG2 PRO 6 HG2 PRO 6 -23.930 34.128 153.450 36 HG3 PRO 6 HG3 PRO 6 -24.604 33.171 152.123 37 HD2 PRO 6 HD2 PRO 6 -25.440 35.713 152.710 38 HD3 PRO 6 HD3 PRO 6 -26.490 34.496 151.949 39 H LEU 7 H LEU 7 -28.042 32.313 156.510 40 HA LEU 7 HA LEU 7 -28.152 32.414 158.806 41 HB2 LEU 7 HB2 LEU 7 -25.256 32.146 158.151 42 HB3 LEU 7 HB3 LEU 7 -25.691 32.514 159.821 43 HG LEU 7 HG LEU 7 -27.158 30.329 158.379 44 HD11 LEU 7 HD11 LEU 7 -25.307 28.857 159.590 45 HD12 LEU 7 HD12 LEU 7 -24.316 30.292 159.322 46 HD13 LEU 7 HD13 LEU 7 -25.052 29.459 157.953 47 HD21 LEU 7 HD21 LEU 7 -27.748 29.669 160.513 48 HD22 LEU 7 HD22 LEU 7 -27.497 31.389 160.815 49 HD23 LEU 7 HD23 LEU 7 -26.231 30.228 161.218 50 H LYS 8 H LYS 8 -25.180 34.280 158.741 51 HA LYS 8 HA LYS 8 -26.559 36.813 159.078 52 HB2 LYS 8 HB2 LYS 8 -26.171 35.334 161.358 53 HB3 LYS 8 HB3 LYS 8 -24.721 36.337 161.318 54 HG2 LYS 8 HG2 LYS 8 -26.171 38.346 160.991 55 HG3 LYS 8 HG3 LYS 8 -27.589 37.311 161.174 56 HD2 LYS 8 HD2 LYS 8 -25.930 36.693 163.362 57 HD3 LYS 8 HD3 LYS 8 -25.891 38.452 163.226 58 HE2 LYS 8 HE2 LYS 8 -28.370 36.713 163.399 59 HE3 LYS 8 HE3 LYS 8 -27.767 37.807 164.644 60 HZ1 LYS 8 HZ1 LYS 8 -28.837 39.468 163.680 61 HZ2 LYS 8 HZ2 LYS 8 -29.467 38.401 162.518 62 HZ3 LYS 8 HZ3 LYS 8 -28.004 39.213 162.225 63 HN1 NH2 9 HN1 NH2 9 -24.881 38.459 157.998 64 HN2 NH2 9 HN2 NH2 9 -23.656 38.557 159.171 Start of MODEL 24 1 H1 ACE 1 H1 ACE 1 -32.500 38.565 150.208 2 H2 ACE 1 H2 ACE 1 -32.955 38.847 151.889 3 H3 ACE 1 H3 ACE 1 -31.408 38.090 151.509 4 HA PRO 2 HA PRO 2 -30.856 42.575 149.608 5 HB2 PRO 2 HB2 PRO 2 -33.032 44.125 150.687 6 HB3 PRO 2 HB3 PRO 2 -32.649 43.810 148.988 7 HG2 PRO 2 HG2 PRO 2 -34.643 42.553 150.710 8 HG3 PRO 2 HG3 PRO 2 -34.532 42.582 148.945 9 HD2 PRO 2 HD2 PRO 2 -34.063 40.332 150.437 10 HD3 PRO 2 HD3 PRO 2 -33.300 40.628 148.858 11 H THR 3 H THR 3 -32.859 43.112 152.509 12 HA THR 3 HA THR 3 -30.995 44.743 153.832 13 HB THR 3 HB THR 3 -32.354 44.176 155.889 14 HG1 THR 3 HG1 THR 3 -34.076 42.831 154.136 15 HG21 THR 3 HG21 THR 3 -33.401 45.989 155.043 16 HG22 THR 3 HG22 THR 3 -34.577 44.856 154.376 17 HG23 THR 3 HG23 THR 3 -33.226 45.410 153.387 18 H THR 4 H THR 4 -31.989 41.641 155.222 19 HA THR 4 HA THR 4 -29.282 41.253 156.243 20 HB THR 4 HB THR 4 -30.245 39.505 157.606 21 HG1 THR 4 HG1 THR 4 -32.798 39.892 156.608 22 HG21 THR 4 HG21 THR 4 -32.106 41.889 157.402 23 HG22 THR 4 HG22 THR 4 -30.626 41.811 158.358 24 HG23 THR 4 HG23 THR 4 -32.004 40.792 158.778 25 H THR 5 H THR 5 -27.952 39.542 155.730 26 HA THR 5 HA THR 5 -28.405 38.324 153.138 27 HB THR 5 HB THR 5 -26.162 38.130 153.075 28 HG1 THR 5 HG1 THR 5 -26.495 36.305 154.594 29 HG21 THR 5 HG21 THR 5 -26.168 39.465 155.789 30 HG22 THR 5 HG22 THR 5 -26.545 40.323 154.294 31 HG23 THR 5 HG23 THR 5 -24.949 39.608 154.522 32 HA PRO 6 HA PRO 6 -29.569 34.297 154.460 33 HB2 PRO 6 HB2 PRO 6 -27.509 32.792 153.119 34 HB3 PRO 6 HB3 PRO 6 -29.164 33.107 152.577 35 HG2 PRO 6 HG2 PRO 6 -26.873 34.119 151.412 36 HG3 PRO 6 HG3 PRO 6 -28.509 34.757 151.196 37 HD2 PRO 6 HD2 PRO 6 -26.289 35.806 152.889 38 HD3 PRO 6 HD3 PRO 6 -27.610 36.683 152.083 39 H LEU 7 H LEU 7 -29.230 34.035 156.636 40 HA LEU 7 HA LEU 7 -28.220 33.410 158.608 41 HB2 LEU 7 HB2 LEU 7 -27.897 31.358 156.723 42 HB3 LEU 7 HB3 LEU 7 -26.325 31.522 157.505 43 HG LEU 7 HG LEU 7 -27.706 29.951 158.771 44 HD11 LEU 7 HD11 LEU 7 -27.941 32.231 160.606 45 HD12 LEU 7 HD12 LEU 7 -26.373 32.144 159.804 46 HD13 LEU 7 HD13 LEU 7 -26.959 30.773 160.747 47 HD21 LEU 7 HD21 LEU 7 -29.661 31.802 159.815 48 HD22 LEU 7 HD22 LEU 7 -29.928 30.262 158.997 49 HD23 LEU 7 HD23 LEU 7 -29.776 31.746 158.056 50 H LYS 8 H LYS 8 -27.025 35.074 159.375 51 HA LYS 8 HA LYS 8 -25.172 36.319 159.914 52 HB2 LYS 8 HB2 LYS 8 -24.303 33.670 159.707 53 HB3 LYS 8 HB3 LYS 8 -23.130 34.603 158.777 54 HG2 LYS 8 HG2 LYS 8 -22.355 34.583 161.053 55 HG3 LYS 8 HG3 LYS 8 -22.994 36.198 160.742 56 HD2 LYS 8 HD2 LYS 8 -25.206 34.702 161.604 57 HD3 LYS 8 HD3 LYS 8 -23.886 34.219 162.670 58 HE2 LYS 8 HE2 LYS 8 -23.408 36.582 163.168 59 HE3 LYS 8 HE3 LYS 8 -24.708 37.080 162.085 60 HZ1 LYS 8 HZ1 LYS 8 -25.990 36.970 163.887 61 HZ2 LYS 8 HZ2 LYS 8 -24.846 36.081 164.773 62 HZ3 LYS 8 HZ3 LYS 8 -25.910 35.284 163.716 63 HN1 NH2 9 HN1 NH2 9 -25.776 36.254 156.315 64 HN2 NH2 9 HN2 NH2 9 -24.349 35.344 156.189 Start of MODEL 25 1 H1 ACE 1 H1 ACE 1 -31.446 42.112 146.362 2 H2 ACE 1 H2 ACE 1 -29.819 41.444 146.475 3 H3 ACE 1 H3 ACE 1 -30.166 43.035 147.150 4 HA PRO 2 HA PRO 2 -30.405 39.323 150.259 5 HB2 PRO 2 HB2 PRO 2 -28.805 40.995 151.974 6 HB3 PRO 2 HB3 PRO 2 -28.379 39.430 151.263 7 HG2 PRO 2 HG2 PRO 2 -27.631 42.123 150.417 8 HG3 PRO 2 HG3 PRO 2 -26.892 40.566 150.018 9 HD2 PRO 2 HD2 PRO 2 -28.316 42.053 148.212 10 HD3 PRO 2 HD3 PRO 2 -28.195 40.281 148.131 11 H THR 3 H THR 3 -31.503 39.426 152.304 12 HA THR 3 HA THR 3 -33.230 41.785 152.539 13 HB THR 3 HB THR 3 -34.686 40.398 153.849 14 HG1 THR 3 HG1 THR 3 -32.368 38.866 154.066 15 HG21 THR 3 HG21 THR 3 -34.557 40.021 151.344 16 HG22 THR 3 HG22 THR 3 -35.213 38.672 152.270 17 HG23 THR 3 HG23 THR 3 -33.550 38.616 151.685 18 H THR 4 H THR 4 -33.347 40.267 155.423 19 HA THR 4 HA THR 4 -31.770 42.356 156.715 20 HB THR 4 HB THR 4 -33.433 40.197 158.022 21 HG1 THR 4 HG1 THR 4 -34.570 42.618 157.952 22 HG21 THR 4 HG21 THR 4 -31.684 42.123 159.051 23 HG22 THR 4 HG22 THR 4 -32.905 41.226 159.953 24 HG23 THR 4 HG23 THR 4 -33.291 42.811 159.283 25 H THR 5 H THR 5 -29.764 41.311 155.800 26 HA THR 5 HA THR 5 -27.855 40.054 156.061 27 HB THR 5 HB THR 5 -27.094 39.769 158.322 28 HG1 THR 5 HG1 THR 5 -28.993 40.413 159.880 29 HG21 THR 5 HG21 THR 5 -27.018 41.988 158.801 30 HG22 THR 5 HG22 THR 5 -28.775 42.139 158.829 31 HG23 THR 5 HG23 THR 5 -27.912 42.166 157.291 32 HA PRO 6 HA PRO 6 -30.220 36.075 156.084 33 HB2 PRO 6 HB2 PRO 6 -29.293 35.610 153.394 34 HB3 PRO 6 HB3 PRO 6 -30.948 35.906 153.948 35 HG2 PRO 6 HG2 PRO 6 -29.440 37.626 152.400 36 HG3 PRO 6 HG3 PRO 6 -30.878 38.068 153.331 37 HD2 PRO 6 HD2 PRO 6 -28.004 38.547 153.967 38 HD3 PRO 6 HD3 PRO 6 -29.437 39.504 154.409 39 H LEU 7 H LEU 7 -28.828 35.003 157.464 40 HA LEU 7 HA LEU 7 -27.174 33.528 158.072 41 HB2 LEU 7 HB2 LEU 7 -27.862 32.591 155.734 42 HB3 LEU 7 HB3 LEU 7 -26.326 33.277 155.203 43 HG LEU 7 HG LEU 7 -25.442 32.037 157.397 44 HD11 LEU 7 HD11 LEU 7 -27.876 31.289 157.824 45 HD12 LEU 7 HD12 LEU 7 -26.622 30.053 157.931 46 HD13 LEU 7 HD13 LEU 7 -27.629 30.165 156.488 47 HD21 LEU 7 HD21 LEU 7 -24.873 30.107 155.934 48 HD22 LEU 7 HD22 LEU 7 -24.625 31.648 155.112 49 HD23 LEU 7 HD23 LEU 7 -26.052 30.676 154.752 50 H LYS 8 H LYS 8 -24.897 33.446 158.424 51 HA LYS 8 HA LYS 8 -23.614 36.028 158.056 52 HB2 LYS 8 HB2 LYS 8 -22.503 33.556 159.398 53 HB3 LYS 8 HB3 LYS 8 -21.952 35.220 159.595 54 HG2 LYS 8 HG2 LYS 8 -23.388 35.416 161.318 55 HG3 LYS 8 HG3 LYS 8 -24.708 35.281 160.155 56 HD2 LYS 8 HD2 LYS 8 -24.662 32.828 160.375 57 HD3 LYS 8 HD3 LYS 8 -23.331 32.951 161.526 58 HE2 LYS 8 HE2 LYS 8 -26.023 34.277 161.939 59 HE3 LYS 8 HE3 LYS 8 -25.608 32.693 162.592 60 HZ1 LYS 8 HZ1 LYS 8 -24.143 33.576 164.065 61 HZ2 LYS 8 HZ2 LYS 8 -25.212 34.892 163.951 62 HZ3 LYS 8 HZ3 LYS 8 -23.754 34.900 163.079 63 HN1 NH2 9 HN1 NH2 9 -23.174 34.216 155.103 64 HN2 NH2 9 HN2 NH2 9 -22.710 35.819 155.411 Start of MODEL 26 1 H1 ACE 1 H1 ACE 1 -32.211 46.918 147.670 2 H2 ACE 1 H2 ACE 1 -31.333 47.318 149.146 3 H3 ACE 1 H3 ACE 1 -33.094 47.403 149.116 4 HA PRO 2 HA PRO 2 -32.279 42.614 148.458 5 HB2 PRO 2 HB2 PRO 2 -29.502 42.225 149.118 6 HB3 PRO 2 HB3 PRO 2 -30.326 41.871 147.591 7 HG2 PRO 2 HG2 PRO 2 -28.648 44.148 148.315 8 HG3 PRO 2 HG3 PRO 2 -29.110 43.548 146.716 9 HD2 PRO 2 HD2 PRO 2 -30.077 45.882 147.773 10 HD3 PRO 2 HD3 PRO 2 -30.983 44.896 146.604 11 H THR 3 H THR 3 -33.449 42.446 150.358 12 HA THR 3 HA THR 3 -32.608 43.166 152.926 13 HB THR 3 HB THR 3 -34.447 40.851 152.312 14 HG1 THR 3 HG1 THR 3 -34.754 43.039 151.210 15 HG21 THR 3 HG21 THR 3 -34.317 42.883 154.558 16 HG22 THR 3 HG22 THR 3 -33.862 41.183 154.672 17 HG23 THR 3 HG23 THR 3 -35.546 41.628 154.391 18 H THR 4 H THR 4 -31.782 41.949 154.664 19 HA THR 4 HA THR 4 -29.924 39.855 153.840 20 HB THR 4 HB THR 4 -28.762 41.196 155.283 21 HG1 THR 4 HG1 THR 4 -29.253 39.030 156.272 22 HG21 THR 4 HG21 THR 4 -29.877 42.361 157.228 23 HG22 THR 4 HG22 THR 4 -31.412 41.712 156.651 24 HG23 THR 4 HG23 THR 4 -30.494 42.830 155.643 25 H THR 5 H THR 5 -29.688 37.917 155.249 26 HA THR 5 HA THR 5 -32.012 37.060 156.750 27 HB THR 5 HB THR 5 -31.528 35.013 154.777 28 HG1 THR 5 HG1 THR 5 -31.199 37.327 153.763 29 HG21 THR 5 HG21 THR 5 -33.957 35.167 154.541 30 HG22 THR 5 HG22 THR 5 -33.959 36.724 155.369 31 HG23 THR 5 HG23 THR 5 -33.518 35.260 156.247 32 HA PRO 6 HA PRO 6 -28.436 33.863 156.929 33 HB2 PRO 6 HB2 PRO 6 -26.147 34.915 155.528 34 HB3 PRO 6 HB3 PRO 6 -27.092 33.466 155.151 35 HG2 PRO 6 HG2 PRO 6 -27.005 35.768 153.626 36 HG3 PRO 6 HG3 PRO 6 -28.251 34.515 153.535 37 HD2 PRO 6 HD2 PRO 6 -28.369 37.196 154.836 38 HD3 PRO 6 HD3 PRO 6 -29.673 36.237 154.099 39 H LEU 7 H LEU 7 -26.624 33.734 158.387 40 HA LEU 7 HA LEU 7 -25.530 36.276 159.363 41 HB2 LEU 7 HB2 LEU 7 -25.991 35.505 161.729 42 HB3 LEU 7 HB3 LEU 7 -27.414 36.001 160.813 43 HG LEU 7 HG LEU 7 -26.836 33.188 160.388 44 HD11 LEU 7 HD11 LEU 7 -25.879 33.299 162.647 45 HD12 LEU 7 HD12 LEU 7 -27.418 32.438 162.681 46 HD13 LEU 7 HD13 LEU 7 -27.331 34.110 163.235 47 HD21 LEU 7 HD21 LEU 7 -28.982 34.333 159.915 48 HD22 LEU 7 HD22 LEU 7 -29.183 34.652 161.638 49 HD23 LEU 7 HD23 LEU 7 -29.205 32.993 161.040 50 H LYS 8 H LYS 8 -25.327 32.884 158.853 51 HA LYS 8 HA LYS 8 -23.590 31.389 159.000 52 HB2 LYS 8 HB2 LYS 8 -21.770 33.765 159.383 53 HB3 LYS 8 HB3 LYS 8 -21.398 32.212 158.634 54 HG2 LYS 8 HG2 LYS 8 -23.124 32.758 156.864 55 HG3 LYS 8 HG3 LYS 8 -23.213 34.381 157.551 56 HD2 LYS 8 HD2 LYS 8 -20.709 33.058 156.463 57 HD3 LYS 8 HD3 LYS 8 -21.634 34.328 155.662 58 HE2 LYS 8 HE2 LYS 8 -19.991 35.595 156.709 59 HE3 LYS 8 HE3 LYS 8 -21.252 35.611 157.942 60 HZ1 LYS 8 HZ1 LYS 8 -19.483 34.935 159.179 61 HZ2 LYS 8 HZ2 LYS 8 -18.720 34.142 157.885 62 HZ3 LYS 8 HZ3 LYS 8 -20.044 33.419 158.666 63 HN1 NH2 9 HN1 NH2 9 -21.187 31.435 160.981 64 HN2 NH2 9 HN2 NH2 9 -22.323 30.474 161.797 Start of MODEL 27 1 H1 ACE 1 H1 ACE 1 -33.625 44.671 154.536 2 H2 ACE 1 H2 ACE 1 -34.138 46.046 153.558 3 H3 ACE 1 H3 ACE 1 -32.420 45.723 153.792 4 HA PRO 2 HA PRO 2 -34.389 43.894 149.756 5 HB2 PRO 2 HB2 PRO 2 -32.105 45.044 148.430 6 HB3 PRO 2 HB3 PRO 2 -33.815 45.447 148.213 7 HG2 PRO 2 HG2 PRO 2 -31.757 46.832 149.753 8 HG3 PRO 2 HG3 PRO 2 -33.318 47.422 149.166 9 HD2 PRO 2 HD2 PRO 2 -32.800 46.936 151.812 10 HD3 PRO 2 HD3 PRO 2 -34.426 46.815 151.100 11 H THR 3 H THR 3 -33.872 41.784 149.728 12 HA THR 3 HA THR 3 -32.651 39.836 149.913 13 HB THR 3 HB THR 3 -30.590 39.829 148.488 14 HG1 THR 3 HG1 THR 3 -29.777 41.822 148.657 15 HG21 THR 3 HG21 THR 3 -32.141 39.394 146.920 16 HG22 THR 3 HG22 THR 3 -32.188 41.121 146.562 17 HG23 THR 3 HG23 THR 3 -33.315 40.431 147.730 18 H THR 4 H THR 4 -32.400 40.118 152.235 19 HA THR 4 HA THR 4 -29.579 40.212 152.974 20 HB THR 4 HB THR 4 -31.563 41.916 154.484 21 HG1 THR 4 HG1 THR 4 -30.447 43.652 153.416 22 HG21 THR 4 HG21 THR 4 -29.611 41.185 155.754 23 HG22 THR 4 HG22 THR 4 -29.462 42.903 155.384 24 HG23 THR 4 HG23 THR 4 -28.539 41.718 154.459 25 H THR 5 H THR 5 -29.428 38.225 153.830 26 HA THR 5 HA THR 5 -30.933 37.618 156.230 27 HB THR 5 HB THR 5 -31.107 35.628 153.973 28 HG1 THR 5 HG1 THR 5 -33.437 36.629 154.258 29 HG21 THR 5 HG21 THR 5 -32.404 34.415 155.410 30 HG22 THR 5 HG22 THR 5 -33.125 35.853 156.133 31 HG23 THR 5 HG23 THR 5 -31.517 35.327 156.632 32 HA PRO 6 HA PRO 6 -26.636 35.910 156.002 33 HB2 PRO 6 HB2 PRO 6 -26.067 37.250 158.488 34 HB3 PRO 6 HB3 PRO 6 -25.383 37.573 156.888 35 HG2 PRO 6 HG2 PRO 6 -27.073 39.256 158.282 36 HG3 PRO 6 HG3 PRO 6 -26.748 39.327 156.544 37 HD2 PRO 6 HD2 PRO 6 -29.130 38.238 157.970 38 HD3 PRO 6 HD3 PRO 6 -29.016 38.975 156.355 39 H LEU 7 H LEU 7 -25.540 34.480 157.573 40 HA LEU 7 HA LEU 7 -27.100 33.601 159.874 41 HB2 LEU 7 HB2 LEU 7 -27.442 32.319 157.407 42 HB3 LEU 7 HB3 LEU 7 -26.358 31.272 158.323 43 HG LEU 7 HG LEU 7 -29.013 32.352 159.312 44 HD11 LEU 7 HD11 LEU 7 -29.591 30.652 157.813 45 HD12 LEU 7 HD12 LEU 7 -29.424 29.758 159.324 46 HD13 LEU 7 HD13 LEU 7 -28.121 29.733 158.135 47 HD21 LEU 7 HD21 LEU 7 -26.700 31.139 160.636 48 HD22 LEU 7 HD22 LEU 7 -28.190 30.242 160.926 49 HD23 LEU 7 HD23 LEU 7 -28.096 31.953 161.344 50 H LYS 8 H LYS 8 -25.484 33.888 161.317 51 HA LYS 8 HA LYS 8 -23.205 32.094 161.164 52 HB2 LYS 8 HB2 LYS 8 -22.959 34.836 160.365 53 HB3 LYS 8 HB3 LYS 8 -22.061 34.593 161.864 54 HG2 LYS 8 HG2 LYS 8 -20.919 32.642 160.860 55 HG3 LYS 8 HG3 LYS 8 -21.800 32.909 159.355 56 HD2 LYS 8 HD2 LYS 8 -20.777 35.128 159.122 57 HD3 LYS 8 HD3 LYS 8 -19.929 34.911 160.654 58 HE2 LYS 8 HE2 LYS 8 -19.538 32.722 158.713 59 HE3 LYS 8 HE3 LYS 8 -18.867 34.276 158.216 60 HZ1 LYS 8 HZ1 LYS 8 -18.066 32.519 160.371 61 HZ2 LYS 8 HZ2 LYS 8 -18.120 34.168 160.780 62 HZ3 LYS 8 HZ3 LYS 8 -17.152 33.642 159.487 63 HN1 NH2 9 HN1 NH2 9 -24.682 34.732 163.534 64 HN2 NH2 9 HN2 NH2 9 -23.083 34.662 164.098 Start of MODEL 28 1 H1 ACE 1 H1 ACE 1 -34.609 47.212 152.525 2 H2 ACE 1 H2 ACE 1 -36.085 46.315 152.169 3 H3 ACE 1 H3 ACE 1 -35.174 47.068 150.860 4 HA PRO 2 HA PRO 2 -32.669 43.600 149.935 5 HB2 PRO 2 HB2 PRO 2 -30.153 44.574 150.941 6 HB3 PRO 2 HB3 PRO 2 -30.709 44.511 149.262 7 HG2 PRO 2 HG2 PRO 2 -30.635 46.768 151.113 8 HG3 PRO 2 HG3 PRO 2 -30.761 46.757 149.348 9 HD2 PRO 2 HD2 PRO 2 -32.838 47.455 150.992 10 HD3 PRO 2 HD3 PRO 2 -33.072 46.741 149.380 11 H THR 3 H THR 3 -33.024 41.832 151.158 12 HA THR 3 HA THR 3 -31.468 41.446 153.583 13 HB THR 3 HB THR 3 -34.494 41.356 153.640 14 HG1 THR 3 HG1 THR 3 -34.201 43.348 154.196 15 HG21 THR 3 HG21 THR 3 -33.887 39.636 155.078 16 HG22 THR 3 HG22 THR 3 -33.845 41.015 156.176 17 HG23 THR 3 HG23 THR 3 -32.347 40.386 155.491 18 H THR 4 H THR 4 -30.497 39.812 152.290 19 HA THR 4 HA THR 4 -31.979 37.300 152.348 20 HB THR 4 HB THR 4 -32.522 38.103 150.126 21 HG1 THR 4 HG1 THR 4 -30.379 36.261 149.940 22 HG21 THR 4 HG21 THR 4 -30.719 38.644 148.513 23 HG22 THR 4 HG22 THR 4 -29.529 38.450 149.801 24 HG23 THR 4 HG23 THR 4 -30.719 39.748 149.889 25 H THR 5 H THR 5 -29.595 38.593 153.628 26 HA THR 5 HA THR 5 -27.317 37.111 152.618 27 HB THR 5 HB THR 5 -26.609 38.077 155.108 28 HG1 THR 5 HG1 THR 5 -28.070 39.481 155.602 29 HG21 THR 5 HG21 THR 5 -25.703 40.028 153.707 30 HG22 THR 5 HG22 THR 5 -26.487 39.253 152.330 31 HG23 THR 5 HG23 THR 5 -25.217 38.407 153.213 32 HA PRO 6 HA PRO 6 -27.635 33.597 155.231 33 HB2 PRO 6 HB2 PRO 6 -24.855 33.529 155.988 34 HB3 PRO 6 HB3 PRO 6 -25.670 32.597 154.722 35 HG2 PRO 6 HG2 PRO 6 -23.795 34.582 154.301 36 HG3 PRO 6 HG3 PRO 6 -24.936 33.968 153.096 37 HD2 PRO 6 HD2 PRO 6 -25.038 36.501 154.666 38 HD3 PRO 6 HD3 PRO 6 -25.670 36.150 153.042 39 H LEU 7 H LEU 7 -26.665 32.681 157.458 40 HA LEU 7 HA LEU 7 -26.854 34.862 159.449 41 HB2 LEU 7 HB2 LEU 7 -27.925 32.043 159.717 42 HB3 LEU 7 HB3 LEU 7 -28.062 33.331 160.913 43 HG LEU 7 HG LEU 7 -29.202 33.450 158.106 44 HD11 LEU 7 HD11 LEU 7 -30.634 33.119 160.759 45 HD12 LEU 7 HD12 LEU 7 -30.329 31.802 159.627 46 HD13 LEU 7 HD13 LEU 7 -31.372 33.145 159.158 47 HD21 LEU 7 HD21 LEU 7 -30.490 35.373 159.418 48 HD22 LEU 7 HD22 LEU 7 -28.913 35.678 158.689 49 HD23 LEU 7 HD23 LEU 7 -29.036 35.349 160.418 50 H LYS 8 H LYS 8 -24.700 35.084 159.911 51 HA LYS 8 HA LYS 8 -23.043 32.749 160.413 52 HB2 LYS 8 HB2 LYS 8 -21.378 34.641 161.072 53 HB3 LYS 8 HB3 LYS 8 -21.825 34.453 159.376 54 HG2 LYS 8 HG2 LYS 8 -22.052 36.778 159.807 55 HG3 LYS 8 HG3 LYS 8 -23.699 36.148 159.854 56 HD2 LYS 8 HD2 LYS 8 -22.397 35.959 162.456 57 HD3 LYS 8 HD3 LYS 8 -22.447 37.621 161.867 58 HE2 LYS 8 HE2 LYS 8 -24.818 37.579 161.640 59 HE3 LYS 8 HE3 LYS 8 -24.877 35.824 161.808 60 HZ1 LYS 8 HZ1 LYS 8 -25.532 36.787 163.865 61 HZ2 LYS 8 HZ2 LYS 8 -24.173 37.804 163.902 62 HZ3 LYS 8 HZ3 LYS 8 -23.987 36.126 164.089 63 HN1 NH2 9 HN1 NH2 9 -21.973 32.760 163.234 64 HN2 NH2 9 HN2 NH2 9 -21.930 34.453 163.347 Start of MODEL 29 1 H1 ACE 1 H1 ACE 1 -34.860 41.255 146.383 2 H2 ACE 1 H2 ACE 1 -35.269 42.960 146.186 3 H3 ACE 1 H3 ACE 1 -36.487 41.822 146.760 4 HA PRO 2 HA PRO 2 -35.700 42.356 151.032 5 HB2 PRO 2 HB2 PRO 2 -34.470 39.811 151.588 6 HB3 PRO 2 HB3 PRO 2 -36.132 40.319 151.921 7 HG2 PRO 2 HG2 PRO 2 -35.091 38.678 149.743 8 HG3 PRO 2 HG3 PRO 2 -36.746 38.836 150.346 9 HD2 PRO 2 HD2 PRO 2 -35.933 39.839 147.931 10 HD3 PRO 2 HD3 PRO 2 -37.259 40.548 148.881 11 H THR 3 H THR 3 -34.051 42.966 152.467 12 HA THR 3 HA THR 3 -31.557 43.660 151.327 13 HB THR 3 HB THR 3 -32.834 44.656 153.386 14 HG1 THR 3 HG1 THR 3 -30.884 45.526 154.046 15 HG21 THR 3 HG21 THR 3 -30.938 42.851 154.872 16 HG22 THR 3 HG22 THR 3 -32.590 42.334 154.537 17 HG23 THR 3 HG23 THR 3 -32.299 43.783 155.498 18 H THR 4 H THR 4 -29.428 42.963 152.047 19 HA THR 4 HA THR 4 -29.308 40.057 152.281 20 HB THR 4 HB THR 4 -27.275 42.200 151.684 21 HG1 THR 4 HG1 THR 4 -28.429 41.523 149.934 22 HG21 THR 4 HG21 THR 4 -25.743 40.116 151.379 23 HG22 THR 4 HG22 THR 4 -26.868 39.328 152.485 24 HG23 THR 4 HG23 THR 4 -25.977 40.758 153.005 25 H THR 5 H THR 5 -29.579 39.354 154.325 26 HA THR 5 HA THR 5 -28.517 40.822 156.589 27 HB THR 5 HB THR 5 -30.001 39.624 157.785 28 HG1 THR 5 HG1 THR 5 -29.872 37.452 157.907 29 HG21 THR 5 HG21 THR 5 -31.194 40.014 155.581 30 HG22 THR 5 HG22 THR 5 -31.830 38.684 156.548 31 HG23 THR 5 HG23 THR 5 -30.795 38.348 155.160 32 HA PRO 6 HA PRO 6 -24.829 38.520 157.239 33 HB2 PRO 6 HB2 PRO 6 -25.324 37.671 159.949 34 HB3 PRO 6 HB3 PRO 6 -24.376 39.057 159.391 35 HG2 PRO 6 HG2 PRO 6 -26.775 39.195 160.753 36 HG3 PRO 6 HG3 PRO 6 -26.051 40.500 159.802 37 HD2 PRO 6 HD2 PRO 6 -28.301 38.678 159.090 38 HD3 PRO 6 HD3 PRO 6 -27.996 40.354 158.578 39 H LEU 7 H LEU 7 -23.898 36.372 158.296 40 HA LEU 7 HA LEU 7 -25.605 34.185 157.308 41 HB2 LEU 7 HB2 LEU 7 -23.108 34.706 156.568 42 HB3 LEU 7 HB3 LEU 7 -22.736 33.771 158.016 43 HG LEU 7 HG LEU 7 -22.853 32.254 156.119 44 HD11 LEU 7 HD11 LEU 7 -24.394 30.675 157.007 45 HD12 LEU 7 HD12 LEU 7 -25.461 31.941 157.613 46 HD13 LEU 7 HD13 LEU 7 -23.904 31.655 158.389 47 HD21 LEU 7 HD21 LEU 7 -24.750 34.029 155.156 48 HD22 LEU 7 HD22 LEU 7 -25.718 32.618 155.584 49 HD23 LEU 7 HD23 LEU 7 -24.377 32.456 154.450 50 H LYS 8 H LYS 8 -26.870 33.571 159.001 51 HA LYS 8 HA LYS 8 -27.459 32.669 161.030 52 HB2 LYS 8 HB2 LYS 8 -24.689 31.578 160.597 53 HB3 LYS 8 HB3 LYS 8 -25.589 31.201 162.066 54 HG2 LYS 8 HG2 LYS 8 -27.331 30.135 160.859 55 HG3 LYS 8 HG3 LYS 8 -26.804 30.830 159.326 56 HD2 LYS 8 HD2 LYS 8 -24.735 29.497 159.422 57 HD3 LYS 8 HD3 LYS 8 -25.245 28.808 160.963 58 HE2 LYS 8 HE2 LYS 8 -27.424 28.440 159.215 59 HE3 LYS 8 HE3 LYS 8 -25.990 28.010 158.283 60 HZ1 LYS 8 HZ1 LYS 8 -27.248 26.443 160.135 61 HZ2 LYS 8 HZ2 LYS 8 -25.872 27.011 160.953 62 HZ3 LYS 8 HZ3 LYS 8 -25.706 26.179 159.481 63 HN1 NH2 9 HN1 NH2 9 -26.872 35.479 162.311 64 HN2 NH2 9 HN2 NH2 9 -27.331 34.242 163.379 Start of MODEL 30 1 H1 ACE 1 H1 ACE 1 -33.962 44.527 151.131 2 H2 ACE 1 H2 ACE 1 -34.614 43.224 150.138 3 H3 ACE 1 H3 ACE 1 -33.854 44.618 149.373 4 HA PRO 2 HA PRO 2 -29.820 42.935 149.169 5 HB2 PRO 2 HB2 PRO 2 -28.545 44.582 151.159 6 HB3 PRO 2 HB3 PRO 2 -28.471 44.738 149.397 7 HG2 PRO 2 HG2 PRO 2 -30.076 46.223 151.332 8 HG3 PRO 2 HG3 PRO 2 -29.651 46.633 149.664 9 HD2 PRO 2 HD2 PRO 2 -32.179 45.910 150.430 10 HD3 PRO 2 HD3 PRO 2 -31.540 45.624 148.796 11 H THR 3 H THR 3 -31.316 43.301 152.291 12 HA THR 3 HA THR 3 -29.552 41.259 153.468 13 HB THR 3 HB THR 3 -29.696 42.915 155.061 14 HG1 THR 3 HG1 THR 3 -32.173 41.750 155.681 15 HG21 THR 3 HG21 THR 3 -31.815 44.237 155.431 16 HG22 THR 3 HG22 THR 3 -32.499 43.407 154.033 17 HG23 THR 3 HG23 THR 3 -31.090 44.450 153.837 18 H THR 4 H THR 4 -30.486 39.532 152.209 19 HA THR 4 HA THR 4 -33.290 38.879 152.687 20 HB THR 4 HB THR 4 -32.465 38.508 150.444 21 HG1 THR 4 HG1 THR 4 -33.864 36.917 151.491 22 HG21 THR 4 HG21 THR 4 -30.123 37.634 151.857 23 HG22 THR 4 HG22 THR 4 -30.312 37.947 150.133 24 HG23 THR 4 HG23 THR 4 -30.660 36.344 150.780 25 H THR 5 H THR 5 -32.261 38.857 155.094 26 HA THR 5 HA THR 5 -31.996 37.570 156.978 27 HB THR 5 HB THR 5 -32.578 35.130 155.316 28 HG1 THR 5 HG1 THR 5 -34.494 36.916 156.389 29 HG21 THR 5 HG21 THR 5 -32.022 34.827 157.692 30 HG22 THR 5 HG22 THR 5 -33.718 34.441 157.399 31 HG23 THR 5 HG23 THR 5 -33.279 35.980 158.140 32 HA PRO 6 HA PRO 6 -27.817 36.286 155.459 33 HB2 PRO 6 HB2 PRO 6 -26.662 38.166 157.311 34 HB3 PRO 6 HB3 PRO 6 -26.633 38.213 155.543 35 HG2 PRO 6 HG2 PRO 6 -27.998 39.975 157.174 36 HG3 PRO 6 HG3 PRO 6 -28.306 39.712 155.451 37 HD2 PRO 6 HD2 PRO 6 -29.835 38.715 157.810 38 HD3 PRO 6 HD3 PRO 6 -30.408 39.108 156.173 39 H LEU 7 H LEU 7 -26.723 34.654 156.422 40 HA LEU 7 HA LEU 7 -27.474 33.825 159.083 41 HB2 LEU 7 HB2 LEU 7 -25.571 32.703 157.021 42 HB3 LEU 7 HB3 LEU 7 -25.806 31.971 158.610 43 HG LEU 7 HG LEU 7 -28.329 32.596 157.250 44 HD11 LEU 7 HD11 LEU 7 -28.053 30.569 155.714 45 HD12 LEU 7 HD12 LEU 7 -26.318 30.716 155.994 46 HD13 LEU 7 HD13 LEU 7 -27.201 32.031 155.220 47 HD21 LEU 7 HD21 LEU 7 -27.137 30.047 158.393 48 HD22 LEU 7 HD22 LEU 7 -28.833 30.294 157.975 49 HD23 LEU 7 HD23 LEU 7 -28.107 31.212 159.295 50 H LYS 8 H LYS 8 -24.349 34.606 157.535 51 HA LYS 8 HA LYS 8 -23.463 35.977 159.937 52 HB2 LYS 8 HB2 LYS 8 -22.969 33.554 160.366 53 HB3 LYS 8 HB3 LYS 8 -21.917 33.572 158.950 54 HG2 LYS 8 HG2 LYS 8 -20.559 33.956 160.931 55 HG3 LYS 8 HG3 LYS 8 -20.629 35.450 159.994 56 HD2 LYS 8 HD2 LYS 8 -21.877 36.540 161.572 57 HD3 LYS 8 HD3 LYS 8 -22.766 35.086 162.022 58 HE2 LYS 8 HE2 LYS 8 -19.846 35.439 162.705 59 HE3 LYS 8 HE3 LYS 8 -21.126 36.022 163.768 60 HZ1 LYS 8 HZ1 LYS 8 -21.968 33.545 163.254 61 HZ2 LYS 8 HZ2 LYS 8 -21.002 33.953 164.591 62 HZ3 LYS 8 HZ3 LYS 8 -20.291 33.308 163.190 63 HN1 NH2 9 HN1 NH2 9 -21.402 35.224 156.600 64 HN2 NH2 9 HN2 NH2 9 -20.490 35.309 158.029 Start of MODEL 31 1 H1 ACE 1 H1 ACE 1 -33.506 39.013 151.898 2 H2 ACE 1 H2 ACE 1 -31.960 38.231 151.570 3 H3 ACE 1 H3 ACE 1 -33.109 38.500 150.258 4 HA PRO 2 HA PRO 2 -31.650 42.632 149.671 5 HB2 PRO 2 HB2 PRO 2 -33.919 44.202 150.503 6 HB3 PRO 2 HB3 PRO 2 -33.464 43.718 148.862 7 HG2 PRO 2 HG2 PRO 2 -35.677 42.815 150.245 8 HG3 PRO 2 HG3 PRO 2 -34.954 42.034 148.832 9 HD2 PRO 2 HD2 PRO 2 -34.736 41.288 151.711 10 HD3 PRO 2 HD3 PRO 2 -34.678 40.254 150.266 11 H THR 3 H THR 3 -33.075 42.182 152.829 12 HA THR 3 HA THR 3 -32.038 44.571 154.019 13 HB THR 3 HB THR 3 -32.705 43.564 156.133 14 HG1 THR 3 HG1 THR 3 -33.569 41.235 154.912 15 HG21 THR 3 HG21 THR 3 -34.881 43.911 155.657 16 HG22 THR 3 HG22 THR 3 -34.939 42.518 154.578 17 HG23 THR 3 HG23 THR 3 -34.384 44.078 153.973 18 H THR 4 H THR 4 -31.069 41.140 154.224 19 HA THR 4 HA THR 4 -28.276 41.950 154.460 20 HB THR 4 HB THR 4 -28.999 39.962 156.499 21 HG1 THR 4 HG1 THR 4 -29.555 42.567 157.251 22 HG21 THR 4 HG21 THR 4 -26.768 41.157 156.081 23 HG22 THR 4 HG22 THR 4 -27.340 41.120 157.749 24 HG23 THR 4 HG23 THR 4 -27.528 42.584 156.785 25 H THR 5 H THR 5 -27.099 39.611 155.083 26 HA THR 5 HA THR 5 -27.615 38.020 152.715 27 HB THR 5 HB THR 5 -25.458 37.404 152.923 28 HG1 THR 5 HG1 THR 5 -25.347 37.108 155.659 29 HG21 THR 5 HG21 THR 5 -25.382 39.204 155.353 30 HG22 THR 5 HG22 THR 5 -25.465 39.818 153.702 31 HG23 THR 5 HG23 THR 5 -24.071 38.869 154.221 32 HA PRO 6 HA PRO 6 -29.665 34.618 154.599 33 HB2 PRO 6 HB2 PRO 6 -27.868 32.522 153.775 34 HB3 PRO 6 HB3 PRO 6 -29.382 33.029 153.012 35 HG2 PRO 6 HG2 PRO 6 -26.857 33.346 151.937 36 HG3 PRO 6 HG3 PRO 6 -28.310 34.225 151.439 37 HD2 PRO 6 HD2 PRO 6 -26.045 35.147 153.145 38 HD3 PRO 6 HD3 PRO 6 -27.098 36.082 152.059 39 H LEU 7 H LEU 7 -29.474 34.838 156.819 40 HA LEU 7 HA LEU 7 -28.615 34.567 158.954 41 HB2 LEU 7 HB2 LEU 7 -29.580 32.334 158.336 42 HB3 LEU 7 HB3 LEU 7 -27.961 31.826 157.853 43 HG LEU 7 HG LEU 7 -27.153 32.391 160.154 44 HD11 LEU 7 HD11 LEU 7 -29.990 33.247 160.366 45 HD12 LEU 7 HD12 LEU 7 -28.562 33.869 161.193 46 HD13 LEU 7 HD13 LEU 7 -29.335 32.389 161.760 47 HD21 LEU 7 HD21 LEU 7 -27.907 30.081 159.467 48 HD22 LEU 7 HD22 LEU 7 -29.485 30.451 160.162 49 HD23 LEU 7 HD23 LEU 7 -28.057 30.400 161.195 50 H LYS 8 H LYS 8 -26.832 36.094 158.339 51 HA LYS 8 HA LYS 8 -24.620 36.707 158.433 52 HB2 LYS 8 HB2 LYS 8 -24.149 33.968 159.622 53 HB3 LYS 8 HB3 LYS 8 -23.179 35.424 159.853 54 HG2 LYS 8 HG2 LYS 8 -25.066 36.519 160.989 55 HG3 LYS 8 HG3 LYS 8 -26.061 35.083 160.737 56 HD2 LYS 8 HD2 LYS 8 -24.991 33.887 162.372 57 HD3 LYS 8 HD3 LYS 8 -23.431 34.645 162.052 58 HE2 LYS 8 HE2 LYS 8 -24.579 35.247 164.276 59 HE3 LYS 8 HE3 LYS 8 -23.998 36.589 163.291 60 HZ1 LYS 8 HZ1 LYS 8 -26.776 35.551 163.201 61 HZ2 LYS 8 HZ2 LYS 8 -26.178 36.956 162.454 62 HZ3 LYS 8 HZ3 LYS 8 -26.292 36.874 164.147 63 HN1 NH2 9 HN1 NH2 9 -22.522 33.808 156.905 64 HN2 NH2 9 HN2 NH2 9 -22.159 35.172 157.848 Start of MODEL 32 1 H1 ACE 1 H1 ACE 1 -33.092 43.784 146.964 2 H2 ACE 1 H2 ACE 1 -32.804 42.202 147.688 3 H3 ACE 1 H3 ACE 1 -31.443 43.251 147.286 4 HA PRO 2 HA PRO 2 -33.710 45.823 150.787 5 HB2 PRO 2 HB2 PRO 2 -35.591 43.992 151.975 6 HB3 PRO 2 HB3 PRO 2 -35.920 45.546 151.195 7 HG2 PRO 2 HG2 PRO 2 -36.207 42.838 150.141 8 HG3 PRO 2 HG3 PRO 2 -36.923 44.353 149.574 9 HD2 PRO 2 HD2 PRO 2 -34.953 43.027 148.210 10 HD3 PRO 2 HD3 PRO 2 -35.179 44.788 148.122 11 H THR 3 H THR 3 -34.158 42.397 151.689 12 HA THR 3 HA THR 3 -31.746 42.537 153.365 13 HB THR 3 HB THR 3 -34.327 41.407 154.444 14 HG1 THR 3 HG1 THR 3 -34.896 43.339 155.017 15 HG21 THR 3 HG21 THR 3 -33.141 41.045 156.357 16 HG22 THR 3 HG22 THR 3 -32.202 42.526 156.173 17 HG23 THR 3 HG23 THR 3 -31.755 41.080 155.268 18 H THR 4 H THR 4 -30.525 40.945 152.572 19 HA THR 4 HA THR 4 -31.611 38.239 152.485 20 HB THR 4 HB THR 4 -30.064 39.013 150.068 21 HG1 THR 4 HG1 THR 4 -32.274 39.526 149.189 22 HG21 THR 4 HG21 THR 4 -31.505 37.340 149.050 23 HG22 THR 4 HG22 THR 4 -32.522 37.292 150.491 24 HG23 THR 4 HG23 THR 4 -30.864 36.696 150.562 25 H THR 5 H THR 5 -29.726 39.539 154.196 26 HA THR 5 HA THR 5 -27.071 38.732 153.357 27 HB THR 5 HB THR 5 -26.931 39.273 156.064 28 HG1 THR 5 HG1 THR 5 -28.229 41.305 156.020 29 HG21 THR 5 HG21 THR 5 -25.392 40.232 154.529 30 HG22 THR 5 HG22 THR 5 -26.271 41.602 155.209 31 HG23 THR 5 HG23 THR 5 -26.679 41.002 153.601 32 HA PRO 6 HA PRO 6 -26.999 34.754 155.214 33 HB2 PRO 6 HB2 PRO 6 -24.397 35.031 156.423 34 HB3 PRO 6 HB3 PRO 6 -24.816 34.251 154.891 35 HG2 PRO 6 HG2 PRO 6 -23.361 36.584 155.161 36 HG3 PRO 6 HG3 PRO 6 -24.171 36.038 153.686 37 HD2 PRO 6 HD2 PRO 6 -25.018 38.131 155.634 38 HD3 PRO 6 HD3 PRO 6 -25.332 38.016 153.887 39 H LEU 7 H LEU 7 -26.237 33.568 157.367 40 HA LEU 7 HA LEU 7 -26.833 35.252 159.709 41 HB2 LEU 7 HB2 LEU 7 -28.300 32.776 158.827 42 HB3 LEU 7 HB3 LEU 7 -28.244 33.245 160.527 43 HG LEU 7 HG LEU 7 -28.964 35.337 158.516 44 HD11 LEU 7 HD11 LEU 7 -30.616 32.945 159.251 45 HD12 LEU 7 HD12 LEU 7 -30.508 33.796 157.710 46 HD13 LEU 7 HD13 LEU 7 -31.419 34.502 159.046 47 HD21 LEU 7 HD21 LEU 7 -30.311 34.809 161.146 48 HD22 LEU 7 HD22 LEU 7 -29.995 36.348 160.345 49 HD23 LEU 7 HD23 LEU 7 -28.681 35.483 161.142 50 H LYS 8 H LYS 8 -24.312 34.665 159.285 51 HA LYS 8 HA LYS 8 -22.449 33.668 160.185 52 HB2 LYS 8 HB2 LYS 8 -23.787 34.165 162.294 53 HB3 LYS 8 HB3 LYS 8 -24.300 32.478 162.251 54 HG2 LYS 8 HG2 LYS 8 -21.976 31.730 162.342 55 HG3 LYS 8 HG3 LYS 8 -21.411 33.400 162.275 56 HD2 LYS 8 HD2 LYS 8 -22.135 33.873 164.444 57 HD3 LYS 8 HD3 LYS 8 -23.325 32.572 164.438 58 HE2 LYS 8 HE2 LYS 8 -21.361 32.039 165.871 59 HE3 LYS 8 HE3 LYS 8 -21.544 30.898 164.538 60 HZ1 LYS 8 HZ1 LYS 8 -19.791 31.846 163.379 61 HZ2 LYS 8 HZ2 LYS 8 -19.241 31.874 164.987 62 HZ3 LYS 8 HZ3 LYS 8 -19.839 33.291 164.266 63 HN1 NH2 9 HN1 NH2 9 -21.967 30.542 160.826 64 HN2 NH2 9 HN2 NH2 9 -21.539 31.086 159.276 Start of MODEL 33 1 H1 ACE 1 H1 ACE 1 -37.846 41.788 149.445 2 H2 ACE 1 H2 ACE 1 -37.663 40.817 147.984 3 H3 ACE 1 H3 ACE 1 -37.737 42.576 147.871 4 HA PRO 2 HA PRO 2 -33.423 43.272 148.119 5 HB2 PRO 2 HB2 PRO 2 -33.302 44.428 150.754 6 HB3 PRO 2 HB3 PRO 2 -33.258 45.258 149.193 7 HG2 PRO 2 HG2 PRO 2 -35.479 44.918 151.056 8 HG3 PRO 2 HG3 PRO 2 -35.277 46.082 149.737 9 HD2 PRO 2 HD2 PRO 2 -37.054 44.001 149.634 10 HD3 PRO 2 HD3 PRO 2 -36.299 44.707 148.187 11 H THR 3 H THR 3 -31.432 42.866 149.564 12 HA THR 3 HA THR 3 -31.787 40.249 150.848 13 HB THR 3 HB THR 3 -29.980 39.864 149.545 14 HG1 THR 3 HG1 THR 3 -29.215 40.383 151.845 15 HG21 THR 3 HG21 THR 3 -29.593 42.866 149.542 16 HG22 THR 3 HG22 THR 3 -30.247 41.872 148.240 17 HG23 THR 3 HG23 THR 3 -28.542 41.748 148.673 18 H THR 4 H THR 4 -31.456 39.908 152.974 19 HA THR 4 HA THR 4 -31.030 42.244 154.671 20 HB THR 4 HB THR 4 -32.845 40.559 155.123 21 HG1 THR 4 HG1 THR 4 -32.624 41.208 157.091 22 HG21 THR 4 HG21 THR 4 -30.958 38.692 154.605 23 HG22 THR 4 HG22 THR 4 -32.388 38.367 155.584 24 HG23 THR 4 HG23 THR 4 -30.852 38.746 156.364 25 H THR 5 H THR 5 -29.979 40.608 156.868 26 HA THR 5 HA THR 5 -27.166 40.861 156.215 27 HB THR 5 HB THR 5 -27.174 41.432 158.387 28 HG1 THR 5 HG1 THR 5 -26.617 39.029 158.326 29 HG21 THR 5 HG21 THR 5 -29.851 40.024 158.570 30 HG22 THR 5 HG22 THR 5 -29.592 41.750 158.318 31 HG23 THR 5 HG23 THR 5 -29.144 41.007 159.852 32 HA PRO 6 HA PRO 6 -25.900 36.802 155.234 33 HB2 PRO 6 HB2 PRO 6 -24.282 36.331 157.571 34 HB3 PRO 6 HB3 PRO 6 -23.750 36.772 155.941 35 HG2 PRO 6 HG2 PRO 6 -24.063 38.445 158.314 36 HG3 PRO 6 HG3 PRO 6 -23.139 38.743 156.835 37 HD2 PRO 6 HD2 PRO 6 -25.439 40.093 157.460 38 HD3 PRO 6 HD3 PRO 6 -24.904 39.807 155.789 39 H LEU 7 H LEU 7 -25.747 34.507 156.202 40 HA LEU 7 HA LEU 7 -28.141 34.077 157.832 41 HB2 LEU 7 HB2 LEU 7 -27.581 31.620 157.224 42 HB3 LEU 7 HB3 LEU 7 -28.169 32.684 155.946 43 HG LEU 7 HG LEU 7 -25.235 32.687 156.365 44 HD11 LEU 7 HD11 LEU 7 -26.703 30.307 155.189 45 HD12 LEU 7 HD12 LEU 7 -25.707 30.299 156.644 46 HD13 LEU 7 HD13 LEU 7 -24.965 30.581 155.069 47 HD21 LEU 7 HD21 LEU 7 -26.974 32.404 153.893 48 HD22 LEU 7 HD22 LEU 7 -25.259 32.813 153.929 49 HD23 LEU 7 HD23 LEU 7 -26.449 33.945 154.569 50 H LYS 8 H LYS 8 -25.788 31.603 157.904 51 HA LYS 8 HA LYS 8 -24.568 30.663 159.607 52 HB2 LYS 8 HB2 LYS 8 -23.382 32.904 159.355 53 HB3 LYS 8 HB3 LYS 8 -24.327 33.450 160.740 54 HG2 LYS 8 HG2 LYS 8 -23.362 31.009 161.600 55 HG3 LYS 8 HG3 LYS 8 -22.014 31.645 160.657 56 HD2 LYS 8 HD2 LYS 8 -22.131 33.763 161.936 57 HD3 LYS 8 HD3 LYS 8 -23.450 33.096 162.900 58 HE2 LYS 8 HE2 LYS 8 -21.313 31.198 162.898 59 HE3 LYS 8 HE3 LYS 8 -20.639 32.776 163.302 60 HZ1 LYS 8 HZ1 LYS 8 -23.046 31.617 164.592 61 HZ2 LYS 8 HZ2 LYS 8 -22.224 33.033 165.045 62 HZ3 LYS 8 HZ3 LYS 8 -21.482 31.517 165.239 63 HN1 NH2 9 HN1 NH2 9 -26.338 30.213 162.616 64 HN2 NH2 9 HN2 NH2 9 -24.867 29.902 161.828 Start of MODEL 34 1 H1 ACE 1 H1 ACE 1 -28.196 46.990 150.753 2 H2 ACE 1 H2 ACE 1 -28.942 47.636 152.214 3 H3 ACE 1 H3 ACE 1 -29.749 47.818 150.658 4 HA PRO 2 HA PRO 2 -32.138 44.155 150.830 5 HB2 PRO 2 HB2 PRO 2 -30.655 42.566 148.928 6 HB3 PRO 2 HB3 PRO 2 -32.190 43.414 148.687 7 HG2 PRO 2 HG2 PRO 2 -29.479 44.212 147.932 8 HG3 PRO 2 HG3 PRO 2 -31.038 44.779 147.315 9 HD2 PRO 2 HD2 PRO 2 -29.430 46.336 148.885 10 HD3 PRO 2 HD3 PRO 2 -31.206 46.475 148.908 11 H THR 3 H THR 3 -32.215 42.205 151.918 12 HA THR 3 HA THR 3 -29.788 40.722 152.496 13 HB THR 3 HB THR 3 -29.396 42.020 154.336 14 HG1 THR 3 HG1 THR 3 -31.050 41.099 156.043 15 HG21 THR 3 HG21 THR 3 -32.351 42.613 154.231 16 HG22 THR 3 HG22 THR 3 -31.000 43.725 154.010 17 HG23 THR 3 HG23 THR 3 -31.364 43.088 155.614 18 H THR 4 H THR 4 -30.334 38.656 152.311 19 HA THR 4 HA THR 4 -33.124 37.852 152.597 20 HB THR 4 HB THR 4 -30.918 35.936 151.948 21 HG1 THR 4 HG1 THR 4 -30.808 36.702 149.906 22 HG21 THR 4 HG21 THR 4 -33.702 36.320 150.819 23 HG22 THR 4 HG22 THR 4 -33.326 35.255 152.173 24 HG23 THR 4 HG23 THR 4 -32.643 34.931 150.580 25 H THR 5 H THR 5 -31.667 38.616 155.008 26 HA THR 5 HA THR 5 -31.276 37.866 157.148 27 HB THR 5 HB THR 5 -32.899 36.365 158.019 28 HG1 THR 5 HG1 THR 5 -32.436 35.066 155.788 29 HG21 THR 5 HG21 THR 5 -34.713 37.623 157.491 30 HG22 THR 5 HG22 THR 5 -34.596 37.227 155.776 31 HG23 THR 5 HG23 THR 5 -33.602 38.518 156.452 32 HA PRO 6 HA PRO 6 -28.365 34.558 155.709 33 HB2 PRO 6 HB2 PRO 6 -26.190 36.132 156.752 34 HB3 PRO 6 HB3 PRO 6 -26.536 35.723 155.067 35 HG2 PRO 6 HG2 PRO 6 -26.716 38.244 156.187 36 HG3 PRO 6 HG3 PRO 6 -27.450 37.733 154.662 37 HD2 PRO 6 HD2 PRO 6 -28.726 38.144 157.317 38 HD3 PRO 6 HD3 PRO 6 -29.425 38.283 155.689 39 H LEU 7 H LEU 7 -26.507 33.542 157.086 40 HA LEU 7 HA LEU 7 -27.576 33.177 159.790 41 HB2 LEU 7 HB2 LEU 7 -25.364 31.662 158.384 42 HB3 LEU 7 HB3 LEU 7 -26.199 31.188 159.864 43 HG LEU 7 HG LEU 7 -28.296 31.593 158.127 44 HD11 LEU 7 HD11 LEU 7 -27.763 30.616 156.015 45 HD12 LEU 7 HD12 LEU 7 -26.163 30.123 156.569 46 HD13 LEU 7 HD13 LEU 7 -26.517 31.831 156.310 47 HD21 LEU 7 HD21 LEU 7 -28.226 29.699 159.572 48 HD22 LEU 7 HD22 LEU 7 -26.716 29.123 158.867 49 HD23 LEU 7 HD23 LEU 7 -28.213 29.031 157.940 50 H LYS 8 H LYS 8 -25.651 35.377 158.539 51 HA LYS 8 HA LYS 8 -23.371 35.159 160.324 52 HB2 LYS 8 HB2 LYS 8 -24.083 36.717 157.971 53 HB3 LYS 8 HB3 LYS 8 -23.351 37.713 159.232 54 HG2 LYS 8 HG2 LYS 8 -21.458 36.154 159.389 55 HG3 LYS 8 HG3 LYS 8 -22.191 35.125 158.159 56 HD2 LYS 8 HD2 LYS 8 -21.109 36.347 156.608 57 HD3 LYS 8 HD3 LYS 8 -22.165 37.695 157.031 58 HE2 LYS 8 HE2 LYS 8 -20.548 38.269 158.884 59 HE3 LYS 8 HE3 LYS 8 -19.457 37.051 158.225 60 HZ1 LYS 8 HZ1 LYS 8 -20.472 39.469 156.836 61 HZ2 LYS 8 HZ2 LYS 8 -19.562 38.247 156.084 62 HZ3 LYS 8 HZ3 LYS 8 -18.877 39.174 157.332 63 HN1 NH2 9 HN1 NH2 9 -23.566 37.703 162.401 64 HN2 NH2 9 HN2 NH2 9 -23.744 36.043 162.702 Start of MODEL 35 1 H1 ACE 1 H1 ACE 1 -34.890 41.732 146.970 2 H2 ACE 1 H2 ACE 1 -34.780 43.480 147.178 3 H3 ACE 1 H3 ACE 1 -35.576 42.495 148.405 4 HA PRO 2 HA PRO 2 -30.905 43.507 149.209 5 HB2 PRO 2 HB2 PRO 2 -31.783 44.212 151.861 6 HB3 PRO 2 HB3 PRO 2 -31.049 45.258 150.636 7 HG2 PRO 2 HG2 PRO 2 -33.854 44.959 151.389 8 HG3 PRO 2 HG3 PRO 2 -33.053 46.270 150.513 9 HD2 PRO 2 HD2 PRO 2 -34.776 44.507 149.320 10 HD3 PRO 2 HD3 PRO 2 -33.452 45.312 148.448 11 H THR 3 H THR 3 -29.606 42.444 150.915 12 HA THR 3 HA THR 3 -30.660 39.793 151.496 13 HB THR 3 HB THR 3 -28.324 39.362 152.295 14 HG1 THR 3 HG1 THR 3 -26.917 41.211 151.464 15 HG21 THR 3 HG21 THR 3 -28.092 38.738 150.149 16 HG22 THR 3 HG22 THR 3 -27.532 40.368 149.778 17 HG23 THR 3 HG23 THR 3 -29.243 39.968 149.628 18 H THR 4 H THR 4 -32.274 40.736 153.027 19 HA THR 4 HA THR 4 -31.204 41.650 155.584 20 HB THR 4 HB THR 4 -33.677 41.730 156.185 21 HG1 THR 4 HG1 THR 4 -33.992 41.401 153.396 22 HG21 THR 4 HG21 THR 4 -33.114 43.858 155.654 23 HG22 THR 4 HG22 THR 4 -33.919 43.536 154.118 24 HG23 THR 4 HG23 THR 4 -32.170 43.350 154.254 25 H THR 5 H THR 5 -30.379 39.063 154.945 26 HA THR 5 HA THR 5 -31.431 37.614 157.223 27 HB THR 5 HB THR 5 -31.654 36.388 154.464 28 HG1 THR 5 HG1 THR 5 -33.477 37.652 156.184 29 HG21 THR 5 HG21 THR 5 -33.151 35.062 156.503 30 HG22 THR 5 HG22 THR 5 -31.501 35.277 157.089 31 HG23 THR 5 HG23 THR 5 -31.793 34.437 155.566 32 HA PRO 6 HA PRO 6 -26.865 37.289 155.660 33 HB2 PRO 6 HB2 PRO 6 -26.166 37.898 158.387 34 HB3 PRO 6 HB3 PRO 6 -25.832 38.850 156.933 35 HG2 PRO 6 HG2 PRO 6 -27.917 39.200 158.945 36 HG3 PRO 6 HG3 PRO 6 -27.289 40.350 157.756 37 HD2 PRO 6 HD2 PRO 6 -29.784 39.232 157.586 38 HD3 PRO 6 HD3 PRO 6 -28.855 39.762 156.164 39 H LEU 7 H LEU 7 -25.394 35.629 156.334 40 HA LEU 7 HA LEU 7 -26.714 33.348 157.527 41 HB2 LEU 7 HB2 LEU 7 -24.631 33.722 155.688 42 HB3 LEU 7 HB3 LEU 7 -23.873 32.997 157.107 43 HG LEU 7 HG LEU 7 -24.681 31.232 155.619 44 HD11 LEU 7 HD11 LEU 7 -26.791 31.017 157.650 45 HD12 LEU 7 HD12 LEU 7 -25.220 31.454 158.322 46 HD13 LEU 7 HD13 LEU 7 -25.392 29.979 157.370 47 HD21 LEU 7 HD21 LEU 7 -27.524 31.619 155.956 48 HD22 LEU 7 HD22 LEU 7 -26.601 31.463 154.460 49 HD23 LEU 7 HD23 LEU 7 -26.814 33.048 155.204 50 H LYS 8 H LYS 8 -23.951 35.438 158.323 51 HA LYS 8 HA LYS 8 -24.359 34.920 161.152 52 HB2 LYS 8 HB2 LYS 8 -21.828 34.083 159.723 53 HB3 LYS 8 HB3 LYS 8 -21.950 34.269 161.473 54 HG2 LYS 8 HG2 LYS 8 -23.955 32.668 161.341 55 HG3 LYS 8 HG3 LYS 8 -23.415 32.308 159.701 56 HD2 LYS 8 HD2 LYS 8 -21.200 31.653 160.572 57 HD3 LYS 8 HD3 LYS 8 -21.742 32.005 162.213 58 HE2 LYS 8 HE2 LYS 8 -23.684 30.346 161.660 59 HE3 LYS 8 HE3 LYS 8 -22.615 29.790 160.372 60 HZ1 LYS 8 HZ1 LYS 8 -22.084 28.461 162.189 61 HZ2 LYS 8 HZ2 LYS 8 -22.155 29.754 163.290 62 HZ3 LYS 8 HZ3 LYS 8 -20.865 29.641 162.190 63 HN1 NH2 9 HN1 NH2 9 -23.802 37.822 159.262 64 HN2 NH2 9 HN2 NH2 9 -24.308 37.965 160.876 Start of MODEL 36 1 H1 ACE 1 H1 ACE 1 -31.009 41.110 145.367 2 H2 ACE 1 H2 ACE 1 -30.667 42.838 145.462 3 H3 ACE 1 H3 ACE 1 -32.291 42.240 145.801 4 HA PRO 2 HA PRO 2 -29.412 42.866 149.654 5 HB2 PRO 2 HB2 PRO 2 -31.668 44.249 150.793 6 HB3 PRO 2 HB3 PRO 2 -30.069 44.899 150.401 7 HG2 PRO 2 HG2 PRO 2 -32.575 45.105 148.917 8 HG3 PRO 2 HG3 PRO 2 -31.105 46.082 148.795 9 HD2 PRO 2 HD2 PRO 2 -31.887 44.307 146.861 10 HD3 PRO 2 HD3 PRO 2 -30.186 44.736 147.158 11 H THR 3 H THR 3 -29.864 41.961 151.773 12 HA THR 3 HA THR 3 -32.334 40.406 152.039 13 HB THR 3 HB THR 3 -30.072 38.788 152.839 14 HG1 THR 3 HG1 THR 3 -29.391 40.153 150.884 15 HG21 THR 3 HG21 THR 3 -31.254 37.110 151.560 16 HG22 THR 3 HG22 THR 3 -32.174 38.348 150.704 17 HG23 THR 3 HG23 THR 3 -32.447 38.078 152.426 18 H THR 4 H THR 4 -33.081 41.206 153.908 19 HA THR 4 HA THR 4 -31.241 41.906 156.063 20 HB THR 4 HB THR 4 -33.286 42.749 157.185 21 HG1 THR 4 HG1 THR 4 -34.977 41.662 156.527 22 HG21 THR 4 HG21 THR 4 -33.856 44.467 155.389 23 HG22 THR 4 HG22 THR 4 -32.764 43.579 154.327 24 HG23 THR 4 HG23 THR 4 -32.148 44.325 155.801 25 H THR 5 H THR 5 -30.570 39.625 156.332 26 HA THR 5 HA THR 5 -32.149 38.377 158.425 27 HB THR 5 HB THR 5 -32.947 36.608 157.285 28 HG1 THR 5 HG1 THR 5 -30.474 36.561 155.896 29 HG21 THR 5 HG21 THR 5 -31.997 38.311 154.971 30 HG22 THR 5 HG22 THR 5 -33.609 38.273 155.685 31 HG23 THR 5 HG23 THR 5 -33.018 36.888 154.766 32 HA PRO 6 HA PRO 6 -28.233 36.899 159.766 33 HB2 PRO 6 HB2 PRO 6 -28.945 34.142 160.208 34 HB3 PRO 6 HB3 PRO 6 -28.868 35.456 161.390 35 HG2 PRO 6 HG2 PRO 6 -31.173 34.190 160.545 36 HG3 PRO 6 HG3 PRO 6 -31.096 35.765 161.349 37 HD2 PRO 6 HD2 PRO 6 -31.507 35.143 158.461 38 HD3 PRO 6 HD3 PRO 6 -32.096 36.522 159.417 39 H LEU 7 H LEU 7 -26.336 36.244 158.884 40 HA LEU 7 HA LEU 7 -26.369 34.121 156.843 41 HB2 LEU 7 HB2 LEU 7 -25.346 36.933 156.532 42 HB3 LEU 7 HB3 LEU 7 -24.661 35.609 155.588 43 HG LEU 7 HG LEU 7 -27.636 35.836 155.699 44 HD11 LEU 7 HD11 LEU 7 -27.589 37.446 153.806 45 HD12 LEU 7 HD12 LEU 7 -25.847 37.620 154.019 46 HD13 LEU 7 HD13 LEU 7 -26.949 38.153 155.289 47 HD21 LEU 7 HD21 LEU 7 -26.209 34.043 154.502 48 HD22 LEU 7 HD22 LEU 7 -25.820 35.313 153.342 49 HD23 LEU 7 HD23 LEU 7 -27.495 34.806 153.565 50 H LYS 8 H LYS 8 -25.433 34.506 159.711 51 HA LYS 8 HA LYS 8 -23.668 33.822 161.011 52 HB2 LYS 8 HB2 LYS 8 -23.851 31.947 159.161 53 HB3 LYS 8 HB3 LYS 8 -22.314 32.629 158.626 54 HG2 LYS 8 HG2 LYS 8 -21.517 32.421 161.032 55 HG3 LYS 8 HG3 LYS 8 -22.973 31.474 161.345 56 HD2 LYS 8 HD2 LYS 8 -21.707 29.700 160.708 57 HD3 LYS 8 HD3 LYS 8 -22.011 30.278 159.069 58 HE2 LYS 8 HE2 LYS 8 -19.636 31.028 160.799 59 HE3 LYS 8 HE3 LYS 8 -19.602 29.931 159.419 60 HZ1 LYS 8 HZ1 LYS 8 -20.161 32.839 159.416 61 HZ2 LYS 8 HZ2 LYS 8 -20.505 31.839 158.086 62 HZ3 LYS 8 HZ3 LYS 8 -18.904 32.017 158.626 63 HN1 NH2 9 HN1 NH2 9 -22.009 36.716 159.069 64 HN2 NH2 9 HN2 NH2 9 -22.802 35.634 158.028 Start of MODEL 37 1 H1 ACE 1 H1 ACE 1 -30.190 44.461 148.405 2 H2 ACE 1 H2 ACE 1 -29.494 45.908 149.133 3 H3 ACE 1 H3 ACE 1 -30.992 46.018 148.208 4 HA PRO 2 HA PRO 2 -33.714 45.440 151.585 5 HB2 PRO 2 HB2 PRO 2 -34.655 42.790 150.966 6 HB3 PRO 2 HB3 PRO 2 -35.472 44.334 150.685 7 HG2 PRO 2 HG2 PRO 2 -33.994 42.643 148.817 8 HG3 PRO 2 HG3 PRO 2 -35.167 43.928 148.494 9 HD2 PRO 2 HD2 PRO 2 -32.487 44.186 147.989 10 HD3 PRO 2 HD3 PRO 2 -33.541 45.565 148.379 11 H THR 3 H THR 3 -32.474 42.154 150.913 12 HA THR 3 HA THR 3 -31.002 42.099 153.410 13 HB THR 3 HB THR 3 -33.473 41.524 153.912 14 HG1 THR 3 HG1 THR 3 -32.484 39.459 154.998 15 HG21 THR 3 HG21 THR 3 -32.726 38.790 152.941 16 HG22 THR 3 HG22 THR 3 -33.390 39.952 151.792 17 HG23 THR 3 HG23 THR 3 -34.326 39.482 153.211 18 H THR 4 H THR 4 -29.962 39.898 153.712 19 HA THR 4 HA THR 4 -29.679 38.328 151.270 20 HB THR 4 HB THR 4 -27.207 38.572 151.273 21 HG1 THR 4 HG1 THR 4 -26.774 39.263 153.300 22 HG21 THR 4 HG21 THR 4 -28.800 39.999 149.871 23 HG22 THR 4 HG22 THR 4 -27.179 40.651 150.109 24 HG23 THR 4 HG23 THR 4 -28.530 41.279 151.053 25 H THR 5 H THR 5 -30.857 37.258 153.321 26 HA THR 5 HA THR 5 -30.804 35.618 154.933 27 HB THR 5 HB THR 5 -29.252 33.811 154.531 28 HG1 THR 5 HG1 THR 5 -27.460 35.382 154.246 29 HG21 THR 5 HG21 THR 5 -30.394 33.318 152.663 30 HG22 THR 5 HG22 THR 5 -29.398 34.438 151.734 31 HG23 THR 5 HG23 THR 5 -30.866 35.012 152.527 32 HA PRO 6 HA PRO 6 -27.730 37.930 157.507 33 HB2 PRO 6 HB2 PRO 6 -29.878 38.611 159.304 34 HB3 PRO 6 HB3 PRO 6 -28.930 39.691 158.270 35 HG2 PRO 6 HG2 PRO 6 -31.608 39.095 157.945 36 HG3 PRO 6 HG3 PRO 6 -30.545 39.779 156.707 37 HD2 PRO 6 HD2 PRO 6 -31.517 36.977 157.011 38 HD3 PRO 6 HD3 PRO 6 -31.090 37.873 155.536 39 H LEU 7 H LEU 7 -26.728 36.103 158.319 40 HA LEU 7 HA LEU 7 -27.869 35.011 160.788 41 HB2 LEU 7 HB2 LEU 7 -28.441 33.548 158.728 42 HB3 LEU 7 HB3 LEU 7 -26.730 33.119 158.746 43 HG LEU 7 HG LEU 7 -27.322 32.801 161.373 44 HD11 LEU 7 HD11 LEU 7 -29.780 31.757 159.963 45 HD12 LEU 7 HD12 LEU 7 -29.758 33.352 160.715 46 HD13 LEU 7 HD13 LEU 7 -29.494 31.911 161.696 47 HD21 LEU 7 HD21 LEU 7 -26.198 31.120 160.058 48 HD22 LEU 7 HD22 LEU 7 -27.644 30.834 159.089 49 HD23 LEU 7 HD23 LEU 7 -27.609 30.352 160.785 50 H LYS 8 H LYS 8 -25.699 32.843 160.335 51 HA LYS 8 HA LYS 8 -23.537 32.493 161.025 52 HB2 LYS 8 HB2 LYS 8 -22.874 35.310 160.213 53 HB3 LYS 8 HB3 LYS 8 -21.878 33.858 160.099 54 HG2 LYS 8 HG2 LYS 8 -23.825 33.038 158.502 55 HG3 LYS 8 HG3 LYS 8 -24.111 34.769 158.320 56 HD2 LYS 8 HD2 LYS 8 -21.514 34.876 157.938 57 HD3 LYS 8 HD3 LYS 8 -21.690 33.163 157.557 58 HE2 LYS 8 HE2 LYS 8 -23.611 33.904 155.995 59 HE3 LYS 8 HE3 LYS 8 -22.945 35.529 156.167 60 HZ1 LYS 8 HZ1 LYS 8 -21.608 33.123 155.074 61 HZ2 LYS 8 HZ2 LYS 8 -20.756 34.527 155.508 62 HZ3 LYS 8 HZ3 LYS 8 -21.930 34.586 154.281 63 HN1 NH2 9 HN1 NH2 9 -25.549 34.649 162.550 64 HN2 NH2 9 HN2 NH2 9 -24.569 35.051 163.876 Start of MODEL 38 1 H1 ACE 1 H1 ACE 1 -28.800 44.622 148.318 2 H2 ACE 1 H2 ACE 1 -28.404 43.046 149.004 3 H3 ACE 1 H3 ACE 1 -28.209 44.505 149.975 4 HA PRO 2 HA PRO 2 -33.059 44.378 149.288 5 HB2 PRO 2 HB2 PRO 2 -33.609 41.747 148.252 6 HB3 PRO 2 HB3 PRO 2 -33.960 43.313 147.506 7 HG2 PRO 2 HG2 PRO 2 -31.775 41.448 146.981 8 HG3 PRO 2 HG3 PRO 2 -32.397 42.770 145.983 9 HD2 PRO 2 HD2 PRO 2 -29.969 42.866 147.248 10 HD3 PRO 2 HD3 PRO 2 -30.932 44.315 146.881 11 H THR 3 H THR 3 -33.182 44.233 151.501 12 HA THR 3 HA THR 3 -33.233 43.290 153.614 13 HB THR 3 HB THR 3 -34.682 41.021 152.264 14 HG1 THR 3 HG1 THR 3 -36.259 42.328 151.753 15 HG21 THR 3 HG21 THR 3 -34.196 41.395 154.855 16 HG22 THR 3 HG22 THR 3 -35.744 40.763 154.297 17 HG23 THR 3 HG23 THR 3 -35.588 42.470 154.714 18 H THR 4 H THR 4 -31.079 42.782 154.015 19 HA THR 4 HA THR 4 -30.035 40.199 153.142 20 HB THR 4 HB THR 4 -28.187 41.492 153.104 21 HG1 THR 4 HG1 THR 4 -27.143 40.859 154.789 22 HG21 THR 4 HG21 THR 4 -29.654 43.318 155.024 23 HG22 THR 4 HG22 THR 4 -29.446 43.549 153.288 24 HG23 THR 4 HG23 THR 4 -28.055 43.662 154.366 25 H THR 5 H THR 5 -29.880 38.426 154.390 26 HA THR 5 HA THR 5 -29.980 38.584 157.281 27 HB THR 5 HB THR 5 -32.172 37.064 155.861 28 HG1 THR 5 HG1 THR 5 -31.944 39.700 156.568 29 HG21 THR 5 HG21 THR 5 -31.533 36.213 158.073 30 HG22 THR 5 HG22 THR 5 -33.122 36.974 158.144 31 HG23 THR 5 HG23 THR 5 -31.706 37.829 158.757 32 HA PRO 6 HA PRO 6 -27.677 34.990 155.491 33 HB2 PRO 6 HB2 PRO 6 -25.373 35.822 157.011 34 HB3 PRO 6 HB3 PRO 6 -25.578 35.801 155.252 35 HG2 PRO 6 HG2 PRO 6 -25.362 38.067 156.818 36 HG3 PRO 6 HG3 PRO 6 -26.011 38.006 155.173 37 HD2 PRO 6 HD2 PRO 6 -27.472 38.197 157.765 38 HD3 PRO 6 HD3 PRO 6 -27.924 38.820 156.163 39 H LEU 7 H LEU 7 -26.272 33.354 156.814 40 HA LEU 7 HA LEU 7 -27.669 32.899 159.365 41 HB2 LEU 7 HB2 LEU 7 -26.861 31.202 157.188 42 HB3 LEU 7 HB3 LEU 7 -26.102 30.652 158.682 43 HG LEU 7 HG LEU 7 -29.056 31.271 158.408 44 HD11 LEU 7 HD11 LEU 7 -28.654 28.528 158.886 45 HD12 LEU 7 HD12 LEU 7 -27.509 28.949 157.611 46 HD13 LEU 7 HD13 LEU 7 -29.230 29.266 157.391 47 HD21 LEU 7 HD21 LEU 7 -29.110 31.035 160.649 48 HD22 LEU 7 HD22 LEU 7 -27.348 30.950 160.649 49 HD23 LEU 7 HD23 LEU 7 -28.302 29.471 160.532 50 H LYS 8 H LYS 8 -25.105 34.547 158.611 51 HA LYS 8 HA LYS 8 -23.092 33.261 160.267 52 HB2 LYS 8 HB2 LYS 8 -23.087 36.011 159.000 53 HB3 LYS 8 HB3 LYS 8 -21.698 35.173 159.692 54 HG2 LYS 8 HG2 LYS 8 -22.807 33.341 157.882 55 HG3 LYS 8 HG3 LYS 8 -22.871 34.895 157.050 56 HD2 LYS 8 HD2 LYS 8 -20.723 33.923 156.562 57 HD3 LYS 8 HD3 LYS 8 -20.449 35.236 157.707 58 HE2 LYS 8 HE2 LYS 8 -19.408 33.750 159.042 59 HE3 LYS 8 HE3 LYS 8 -20.974 32.979 159.294 60 HZ1 LYS 8 HZ1 LYS 8 -20.556 31.684 157.248 61 HZ2 LYS 8 HZ2 LYS 8 -19.443 31.357 158.489 62 HZ3 LYS 8 HZ3 LYS 8 -18.994 32.341 157.178 63 HN1 NH2 9 HN1 NH2 9 -23.653 33.597 162.797 64 HN2 NH2 9 HN2 NH2 9 -25.153 34.394 162.766 Start of MODEL 39 1 H1 ACE 1 H1 ACE 1 -28.829 39.820 149.952 2 H2 ACE 1 H2 ACE 1 -27.243 40.108 150.668 3 H3 ACE 1 H3 ACE 1 -27.538 40.531 148.982 4 HA PRO 2 HA PRO 2 -29.260 44.435 150.140 5 HB2 PRO 2 HB2 PRO 2 -32.024 44.124 149.384 6 HB3 PRO 2 HB3 PRO 2 -30.715 44.881 148.464 7 HG2 PRO 2 HG2 PRO 2 -31.990 42.522 147.799 8 HG3 PRO 2 HG3 PRO 2 -30.418 43.055 147.184 9 HD2 PRO 2 HD2 PRO 2 -31.028 41.024 149.280 10 HD3 PRO 2 HD3 PRO 2 -29.657 41.109 148.150 11 H THR 3 H THR 3 -32.000 42.257 150.881 12 HA THR 3 HA THR 3 -32.816 43.776 153.166 13 HB THR 3 HB THR 3 -34.458 42.053 153.501 14 HG1 THR 3 HG1 THR 3 -32.783 40.370 153.088 15 HG21 THR 3 HG21 THR 3 -34.133 43.431 151.113 16 HG22 THR 3 HG22 THR 3 -35.595 42.590 151.626 17 HG23 THR 3 HG23 THR 3 -34.424 41.772 150.592 18 H THR 4 H THR 4 -33.328 41.222 154.706 19 HA THR 4 HA THR 4 -30.660 40.472 155.615 20 HB THR 4 HB THR 4 -32.467 41.361 157.796 21 HG1 THR 4 HG1 THR 4 -30.971 43.162 156.195 22 HG21 THR 4 HG21 THR 4 -29.538 41.947 157.407 23 HG22 THR 4 HG22 THR 4 -30.078 40.346 157.912 24 HG23 THR 4 HG23 THR 4 -30.435 41.754 158.914 25 H THR 5 H THR 5 -30.756 38.329 155.732 26 HA THR 5 HA THR 5 -32.827 37.032 157.287 27 HB THR 5 HB THR 5 -32.702 35.619 154.777 28 HG1 THR 5 HG1 THR 5 -33.784 38.230 154.653 29 HG21 THR 5 HG21 THR 5 -35.124 35.741 154.986 30 HG22 THR 5 HG22 THR 5 -34.986 37.043 156.166 31 HG23 THR 5 HG23 THR 5 -34.425 35.421 156.573 32 HA PRO 6 HA PRO 6 -29.326 34.005 156.012 33 HB2 PRO 6 HB2 PRO 6 -27.272 35.462 154.611 34 HB3 PRO 6 HB3 PRO 6 -28.291 34.148 154.004 35 HG2 PRO 6 HG2 PRO 6 -28.405 36.780 153.178 36 HG3 PRO 6 HG3 PRO 6 -29.674 35.569 152.943 37 HD2 PRO 6 HD2 PRO 6 -29.534 37.785 154.933 38 HD3 PRO 6 HD3 PRO 6 -30.956 37.031 154.177 39 H LEU 7 H LEU 7 -28.071 33.546 157.725 40 HA LEU 7 HA LEU 7 -26.925 35.706 159.299 41 HB2 LEU 7 HB2 LEU 7 -26.232 33.724 160.782 42 HB3 LEU 7 HB3 LEU 7 -27.959 34.038 160.613 43 HG LEU 7 HG LEU 7 -26.793 32.243 158.568 44 HD11 LEU 7 HD11 LEU 7 -27.106 31.388 161.462 45 HD12 LEU 7 HD12 LEU 7 -25.588 31.473 160.568 46 HD13 LEU 7 HD13 LEU 7 -26.819 30.299 160.106 47 HD21 LEU 7 HD21 LEU 7 -29.188 31.823 160.362 48 HD22 LEU 7 HD22 LEU 7 -28.915 31.191 158.738 49 HD23 LEU 7 HD23 LEU 7 -29.256 32.906 158.972 50 H LYS 8 H LYS 8 -24.812 36.222 159.444 51 HA LYS 8 HA LYS 8 -22.571 36.294 158.945 52 HB2 LYS 8 HB2 LYS 8 -22.725 34.035 160.115 53 HB3 LYS 8 HB3 LYS 8 -22.747 33.313 158.506 54 HG2 LYS 8 HG2 LYS 8 -20.601 34.351 157.970 55 HG3 LYS 8 HG3 LYS 8 -20.586 35.180 159.528 56 HD2 LYS 8 HD2 LYS 8 -20.383 33.116 160.728 57 HD3 LYS 8 HD3 LYS 8 -20.728 32.167 159.280 58 HE2 LYS 8 HE2 LYS 8 -18.636 32.721 158.291 59 HE3 LYS 8 HE3 LYS 8 -18.346 34.019 159.449 60 HZ1 LYS 8 HZ1 LYS 8 -17.648 32.588 161.016 61 HZ2 LYS 8 HZ2 LYS 8 -17.325 31.577 159.690 62 HZ3 LYS 8 HZ3 LYS 8 -18.756 31.380 160.583 63 HN1 NH2 9 HN1 NH2 9 -24.342 34.283 156.292 64 HN2 NH2 9 HN2 NH2 9 -24.293 35.845 155.632 Start of MODEL 40 1 H1 ACE 1 H1 ACE 1 -36.241 45.515 148.536 2 H2 ACE 1 H2 ACE 1 -34.904 46.262 147.660 3 H3 ACE 1 H3 ACE 1 -35.666 47.116 149.002 4 HA PRO 2 HA PRO 2 -32.990 45.633 152.131 5 HB2 PRO 2 HB2 PRO 2 -34.808 43.854 153.483 6 HB3 PRO 2 HB3 PRO 2 -34.317 45.487 153.959 7 HG2 PRO 2 HG2 PRO 2 -36.760 44.589 152.637 8 HG3 PRO 2 HG3 PRO 2 -36.433 46.096 153.503 9 HD2 PRO 2 HD2 PRO 2 -36.742 45.972 150.785 10 HD3 PRO 2 HD3 PRO 2 -35.745 47.201 151.595 11 H THR 3 H THR 3 -31.414 44.288 151.452 12 HA THR 3 HA THR 3 -32.070 41.639 150.412 13 HB THR 3 HB THR 3 -30.117 41.779 149.283 14 HG1 THR 3 HG1 THR 3 -28.579 43.169 151.060 15 HG21 THR 3 HG21 THR 3 -31.151 44.104 149.155 16 HG22 THR 3 HG22 THR 3 -29.430 44.011 148.780 17 HG23 THR 3 HG23 THR 3 -29.957 44.601 150.355 18 H THR 4 H THR 4 -31.637 39.740 151.417 19 HA THR 4 HA THR 4 -30.929 39.871 154.246 20 HB THR 4 HB THR 4 -32.865 38.500 153.388 21 HG1 THR 4 HG1 THR 4 -31.672 38.093 155.372 22 HG21 THR 4 HG21 THR 4 -31.505 37.715 151.358 23 HG22 THR 4 HG22 THR 4 -32.469 36.491 152.183 24 HG23 THR 4 HG23 THR 4 -30.729 36.578 152.459 25 H THR 5 H THR 5 -29.680 37.611 154.828 26 HA THR 5 HA THR 5 -27.450 37.102 153.049 27 HB THR 5 HB THR 5 -26.153 38.734 153.918 28 HG1 THR 5 HG1 THR 5 -25.597 38.080 156.284 29 HG21 THR 5 HG21 THR 5 -26.748 39.815 156.163 30 HG22 THR 5 HG22 THR 5 -28.205 38.821 156.131 31 HG23 THR 5 HG23 THR 5 -27.922 40.011 154.861 32 HA PRO 6 HA PRO 6 -27.300 33.093 154.768 33 HB2 PRO 6 HB2 PRO 6 -24.592 33.210 155.744 34 HB3 PRO 6 HB3 PRO 6 -25.193 32.431 154.272 35 HG2 PRO 6 HG2 PRO 6 -23.854 35.006 154.601 36 HG3 PRO 6 HG3 PRO 6 -24.064 34.018 153.148 37 HD2 PRO 6 HD2 PRO 6 -25.381 36.386 153.553 38 HD3 PRO 6 HD3 PRO 6 -26.040 35.064 152.563 39 H LEU 7 H LEU 7 -26.685 31.881 156.856 40 HA LEU 7 HA LEU 7 -27.881 33.175 159.065 41 HB2 LEU 7 HB2 LEU 7 -26.429 30.597 158.639 42 HB3 LEU 7 HB3 LEU 7 -26.703 31.147 160.293 43 HG LEU 7 HG LEU 7 -29.109 31.328 159.864 44 HD11 LEU 7 HD11 LEU 7 -28.263 30.555 157.068 45 HD12 LEU 7 HD12 LEU 7 -29.226 31.943 157.572 46 HD13 LEU 7 HD13 LEU 7 -29.916 30.322 157.636 47 HD21 LEU 7 HD21 LEU 7 -29.606 28.966 159.684 48 HD22 LEU 7 HD22 LEU 7 -28.073 29.125 160.544 49 HD23 LEU 7 HD23 LEU 7 -28.085 28.661 158.843 50 H LYS 8 H LYS 8 -26.558 32.903 161.297 51 HA LYS 8 HA LYS 8 -23.821 33.854 161.090 52 HB2 LYS 8 HB2 LYS 8 -25.602 35.824 160.902 53 HB3 LYS 8 HB3 LYS 8 -25.618 35.646 162.657 54 HG2 LYS 8 HG2 LYS 8 -23.142 35.858 162.680 55 HG3 LYS 8 HG3 LYS 8 -23.165 36.112 160.934 56 HD2 LYS 8 HD2 LYS 8 -24.687 38.079 161.309 57 HD3 LYS 8 HD3 LYS 8 -24.446 37.872 163.044 58 HE2 LYS 8 HE2 LYS 8 -22.673 39.077 161.061 59 HE3 LYS 8 HE3 LYS 8 -22.629 39.195 162.820 60 HZ1 LYS 8 HZ1 LYS 8 -21.573 36.958 161.178 61 HZ2 LYS 8 HZ2 LYS 8 -21.602 36.985 162.876 62 HZ3 LYS 8 HZ3 LYS 8 -20.654 38.107 162.021 63 HN1 NH2 9 HN1 NH2 9 -25.389 31.880 164.115 64 HN2 NH2 9 HN2 NH2 9 -25.392 31.579 162.444 Start of MODEL 41 1 H1 ACE 1 H1 ACE 1 -32.814 43.338 145.693 2 H2 ACE 1 H2 ACE 1 -33.756 41.861 145.899 3 H3 ACE 1 H3 ACE 1 -32.001 41.774 145.757 4 HA PRO 2 HA PRO 2 -33.765 41.879 150.274 5 HB2 PRO 2 HB2 PRO 2 -32.004 39.647 150.738 6 HB3 PRO 2 HB3 PRO 2 -33.772 39.683 150.824 7 HG2 PRO 2 HG2 PRO 2 -32.032 38.709 148.691 8 HG3 PRO 2 HG3 PRO 2 -33.740 38.368 149.001 9 HD2 PRO 2 HD2 PRO 2 -32.876 39.910 146.907 10 HD3 PRO 2 HD3 PRO 2 -34.465 40.118 147.678 11 H THR 3 H THR 3 -32.251 41.876 152.258 12 HA THR 3 HA THR 3 -29.489 42.607 151.690 13 HB THR 3 HB THR 3 -30.643 44.656 153.380 14 HG1 THR 3 HG1 THR 3 -31.569 44.506 150.705 15 HG21 THR 3 HG21 THR 3 -28.439 44.753 152.268 16 HG22 THR 3 HG22 THR 3 -29.461 46.106 151.783 17 HG23 THR 3 HG23 THR 3 -29.238 44.737 150.696 18 H THR 4 H THR 4 -32.106 42.228 154.031 19 HA THR 4 HA THR 4 -30.218 41.883 156.230 20 HB THR 4 HB THR 4 -32.169 41.769 157.647 21 HG1 THR 4 HG1 THR 4 -33.762 40.741 156.742 22 HG21 THR 4 HG21 THR 4 -32.699 43.975 157.447 23 HG22 THR 4 HG22 THR 4 -33.158 43.812 155.751 24 HG23 THR 4 HG23 THR 4 -31.457 43.958 156.195 25 H THR 5 H THR 5 -31.511 39.961 157.737 26 HA THR 5 HA THR 5 -31.627 37.692 158.071 27 HB THR 5 HB THR 5 -32.034 37.342 155.109 28 HG1 THR 5 HG1 THR 5 -33.513 38.790 156.886 29 HG21 THR 5 HG21 THR 5 -31.897 35.336 156.533 30 HG22 THR 5 HG22 THR 5 -33.528 35.545 155.897 31 HG23 THR 5 HG23 THR 5 -33.172 35.981 157.567 32 HA PRO 6 HA PRO 6 -27.316 37.278 156.438 33 HB2 PRO 6 HB2 PRO 6 -26.404 37.023 159.159 34 HB3 PRO 6 HB3 PRO 6 -26.076 38.329 158.011 35 HG2 PRO 6 HG2 PRO 6 -27.613 38.546 160.296 36 HG3 PRO 6 HG3 PRO 6 -27.638 39.665 158.924 37 HD2 PRO 6 HD2 PRO 6 -29.586 37.524 159.645 38 HD3 PRO 6 HD3 PRO 6 -29.857 39.062 158.793 39 H LEU 7 H LEU 7 -25.812 35.444 156.713 40 HA LEU 7 HA LEU 7 -27.284 32.995 157.404 41 HB2 LEU 7 HB2 LEU 7 -24.634 33.220 155.967 42 HB3 LEU 7 HB3 LEU 7 -25.719 31.829 156.019 43 HG LEU 7 HG LEU 7 -27.330 33.907 155.088 44 HD11 LEU 7 HD11 LEU 7 -24.623 33.983 153.720 45 HD12 LEU 7 HD12 LEU 7 -25.290 35.267 154.728 46 HD13 LEU 7 HD13 LEU 7 -26.067 34.851 153.200 47 HD21 LEU 7 HD21 LEU 7 -27.210 32.651 152.946 48 HD22 LEU 7 HD22 LEU 7 -27.370 31.568 154.330 49 HD23 LEU 7 HD23 LEU 7 -25.801 31.779 153.553 50 H LYS 8 H LYS 8 -24.002 34.351 157.802 51 HA LYS 8 HA LYS 8 -23.906 33.390 160.541 52 HB2 LYS 8 HB2 LYS 8 -22.981 31.679 158.571 53 HB3 LYS 8 HB3 LYS 8 -21.518 32.497 159.120 54 HG2 LYS 8 HG2 LYS 8 -23.538 31.236 160.993 55 HG3 LYS 8 HG3 LYS 8 -22.079 30.419 160.430 56 HD2 LYS 8 HD2 LYS 8 -20.748 32.370 161.334 57 HD3 LYS 8 HD3 LYS 8 -22.238 32.959 162.072 58 HE2 LYS 8 HE2 LYS 8 -21.559 31.683 163.840 59 HE3 LYS 8 HE3 LYS 8 -22.270 30.369 162.902 60 HZ1 LYS 8 HZ1 LYS 8 -19.488 30.978 163.420 61 HZ2 LYS 8 HZ2 LYS 8 -19.836 30.531 161.818 62 HZ3 LYS 8 HZ3 LYS 8 -20.232 29.488 163.099 63 HN1 NH2 9 HN1 NH2 9 -21.330 34.817 161.468 64 HN2 NH2 9 HN2 NH2 9 -20.497 34.191 160.127 Start of MODEL 42 1 H1 ACE 1 H1 ACE 1 -32.775 46.960 152.067 2 H2 ACE 1 H2 ACE 1 -31.813 47.502 150.692 3 H3 ACE 1 H3 ACE 1 -31.151 46.321 151.821 4 HA PRO 2 HA PRO 2 -33.066 44.010 148.286 5 HB2 PRO 2 HB2 PRO 2 -30.604 42.532 148.029 6 HB3 PRO 2 HB3 PRO 2 -31.318 43.681 146.887 7 HG2 PRO 2 HG2 PRO 2 -28.995 44.080 148.326 8 HG3 PRO 2 HG3 PRO 2 -29.959 45.345 147.551 9 HD2 PRO 2 HD2 PRO 2 -29.815 44.588 150.432 10 HD3 PRO 2 HD3 PRO 2 -30.146 46.171 149.692 11 H THR 3 H THR 3 -30.591 42.434 150.335 12 HA THR 3 HA THR 3 -32.462 40.212 150.806 13 HB THR 3 HB THR 3 -29.640 40.151 151.773 14 HG1 THR 3 HG1 THR 3 -30.430 40.550 149.187 15 HG21 THR 3 HG21 THR 3 -31.348 38.298 152.065 16 HG22 THR 3 HG22 THR 3 -29.853 37.816 151.265 17 HG23 THR 3 HG23 THR 3 -31.312 38.095 150.314 18 H THR 4 H THR 4 -32.610 39.316 152.983 19 HA THR 4 HA THR 4 -31.857 41.065 155.192 20 HB THR 4 HB THR 4 -34.751 40.280 154.928 21 HG1 THR 4 HG1 THR 4 -34.988 41.784 153.510 22 HG21 THR 4 HG21 THR 4 -33.736 42.720 156.311 23 HG22 THR 4 HG22 THR 4 -33.408 41.160 157.065 24 HG23 THR 4 HG23 THR 4 -35.071 41.654 156.748 25 H THR 5 H THR 5 -30.777 38.645 154.746 26 HA THR 5 HA THR 5 -31.679 37.134 157.049 27 HB THR 5 HB THR 5 -31.462 35.080 155.210 28 HG1 THR 5 HG1 THR 5 -32.252 35.733 153.382 29 HG21 THR 5 HG21 THR 5 -33.962 36.490 156.186 30 HG22 THR 5 HG22 THR 5 -33.062 35.264 157.080 31 HG23 THR 5 HG23 THR 5 -33.884 34.836 155.579 32 HA PRO 6 HA PRO 6 -27.138 37.013 156.194 33 HB2 PRO 6 HB2 PRO 6 -26.702 37.890 158.904 34 HB3 PRO 6 HB3 PRO 6 -26.360 38.761 157.403 35 HG2 PRO 6 HG2 PRO 6 -28.298 39.441 159.250 36 HG3 PRO 6 HG3 PRO 6 -28.235 39.993 157.571 37 HD2 PRO 6 HD2 PRO 6 -29.958 37.891 158.798 38 HD3 PRO 6 HD3 PRO 6 -30.286 38.959 157.414 39 H LEU 7 H LEU 7 -25.708 35.405 156.835 40 HA LEU 7 HA LEU 7 -26.814 33.393 158.681 41 HB2 LEU 7 HB2 LEU 7 -26.147 32.808 156.281 42 HB3 LEU 7 HB3 LEU 7 -24.477 33.020 156.809 43 HG LEU 7 HG LEU 7 -25.282 31.429 158.791 44 HD11 LEU 7 HD11 LEU 7 -27.625 31.496 157.554 45 HD12 LEU 7 HD12 LEU 7 -27.047 30.004 158.294 46 HD13 LEU 7 HD13 LEU 7 -26.888 30.244 156.554 47 HD21 LEU 7 HD21 LEU 7 -24.326 30.814 156.015 48 HD22 LEU 7 HD22 LEU 7 -24.706 29.474 157.096 49 HD23 LEU 7 HD23 LEU 7 -23.474 30.651 157.550 50 H LYS 8 H LYS 8 -23.537 34.480 157.767 51 HA LYS 8 HA LYS 8 -22.873 35.021 160.543 52 HB2 LYS 8 HB2 LYS 8 -22.403 32.446 159.523 53 HB3 LYS 8 HB3 LYS 8 -20.836 33.255 159.501 54 HG2 LYS 8 HG2 LYS 8 -21.214 33.950 161.875 55 HG3 LYS 8 HG3 LYS 8 -22.700 32.999 161.879 56 HD2 LYS 8 HD2 LYS 8 -21.285 31.003 161.177 57 HD3 LYS 8 HD3 LYS 8 -19.867 31.994 161.530 58 HE2 LYS 8 HE2 LYS 8 -20.431 30.632 163.485 59 HE3 LYS 8 HE3 LYS 8 -20.712 32.336 163.843 60 HZ1 LYS 8 HZ1 LYS 8 -22.539 30.854 164.550 61 HZ2 LYS 8 HZ2 LYS 8 -22.815 30.455 162.921 62 HZ3 LYS 8 HZ3 LYS 8 -23.036 32.053 163.457 63 HN1 NH2 9 HN1 NH2 9 -21.297 36.993 157.639 64 HN2 NH2 9 HN2 NH2 9 -22.781 36.170 157.582 Start of MODEL 43 1 H1 ACE 1 H1 ACE 1 -34.661 39.951 147.492 2 H2 ACE 1 H2 ACE 1 -35.795 40.182 148.823 3 H3 ACE 1 H3 ACE 1 -34.687 38.809 148.836 4 HA PRO 2 HA PRO 2 -31.608 42.607 149.154 5 HB2 PRO 2 HB2 PRO 2 -33.267 44.882 149.757 6 HB3 PRO 2 HB3 PRO 2 -32.187 44.652 148.375 7 HG2 PRO 2 HG2 PRO 2 -35.088 44.360 148.538 8 HG3 PRO 2 HG3 PRO 2 -34.051 44.566 147.120 9 HD2 PRO 2 HD2 PRO 2 -35.321 42.213 147.719 10 HD3 PRO 2 HD3 PRO 2 -33.792 42.291 146.815 11 H THR 3 H THR 3 -30.928 43.792 151.129 12 HA THR 3 HA THR 3 -30.781 44.074 153.408 13 HB THR 3 HB THR 3 -33.614 43.238 153.830 14 HG1 THR 3 HG1 THR 3 -32.825 45.694 152.657 15 HG21 THR 3 HG21 THR 3 -32.005 45.615 154.797 16 HG22 THR 3 HG22 THR 3 -32.102 44.075 155.651 17 HG23 THR 3 HG23 THR 3 -33.552 45.054 155.431 18 H THR 4 H THR 4 -30.197 41.530 152.175 19 HA THR 4 HA THR 4 -31.183 39.514 154.040 20 HB THR 4 HB THR 4 -29.214 39.261 151.755 21 HG1 THR 4 HG1 THR 4 -31.938 39.409 151.904 22 HG21 THR 4 HG21 THR 4 -29.914 36.827 151.959 23 HG22 THR 4 HG22 THR 4 -30.659 37.257 153.499 24 HG23 THR 4 HG23 THR 4 -28.918 37.437 153.281 25 H THR 5 H THR 5 -30.067 38.708 155.728 26 HA THR 5 HA THR 5 -27.605 40.030 156.502 27 HB THR 5 HB THR 5 -28.198 39.439 158.593 28 HG1 THR 5 HG1 THR 5 -28.932 37.161 158.930 29 HG21 THR 5 HG21 THR 5 -30.524 38.947 158.921 30 HG22 THR 5 HG22 THR 5 -30.648 38.188 157.335 31 HG23 THR 5 HG23 THR 5 -30.415 39.932 157.462 32 HA PRO 6 HA PRO 6 -24.756 36.843 155.483 33 HB2 PRO 6 HB2 PRO 6 -23.599 36.444 158.093 34 HB3 PRO 6 HB3 PRO 6 -22.984 37.437 156.762 35 HG2 PRO 6 HG2 PRO 6 -23.960 38.391 159.165 36 HG3 PRO 6 HG3 PRO 6 -23.770 39.333 157.679 37 HD2 PRO 6 HD2 PRO 6 -26.247 38.184 158.874 38 HD3 PRO 6 HD3 PRO 6 -26.044 39.636 157.869 39 H LEU 7 H LEU 7 -27.406 35.900 156.530 40 HA LEU 7 HA LEU 7 -28.441 33.966 157.244 41 HB2 LEU 7 HB2 LEU 7 -26.842 33.416 155.110 42 HB3 LEU 7 HB3 LEU 7 -26.223 32.266 156.296 43 HG LEU 7 HG LEU 7 -29.154 32.595 155.599 44 HD11 LEU 7 HD11 LEU 7 -27.191 30.427 154.791 45 HD12 LEU 7 HD12 LEU 7 -27.819 31.676 153.716 46 HD13 LEU 7 HD13 LEU 7 -28.909 30.469 154.398 47 HD21 LEU 7 HD21 LEU 7 -29.346 30.441 156.846 48 HD22 LEU 7 HD22 LEU 7 -28.774 31.760 157.869 49 HD23 LEU 7 HD23 LEU 7 -27.635 30.557 157.259 50 H LYS 8 H LYS 8 -26.739 35.209 159.200 51 HA LYS 8 HA LYS 8 -26.394 32.933 160.971 52 HB2 LYS 8 HB2 LYS 8 -24.193 33.469 159.584 53 HB3 LYS 8 HB3 LYS 8 -24.019 34.732 160.803 54 HG2 LYS 8 HG2 LYS 8 -24.244 33.044 162.589 55 HG3 LYS 8 HG3 LYS 8 -24.414 31.779 161.371 56 HD2 LYS 8 HD2 LYS 8 -22.042 33.536 161.083 57 HD3 LYS 8 HD3 LYS 8 -22.032 32.456 162.478 58 HE2 LYS 8 HE2 LYS 8 -22.445 30.528 161.018 59 HE3 LYS 8 HE3 LYS 8 -22.534 31.590 159.615 60 HZ1 LYS 8 HZ1 LYS 8 -20.319 31.738 159.500 61 HZ2 LYS 8 HZ2 LYS 8 -20.289 30.377 160.515 62 HZ3 LYS 8 HZ3 LYS 8 -20.137 31.934 161.174 63 HN1 NH2 9 HN1 NH2 9 -24.782 34.753 162.938 64 HN2 NH2 9 HN2 NH2 9 -26.257 35.062 163.719 Start of MODEL 44 1 H1 ACE 1 H1 ACE 1 -31.487 41.778 145.373 2 H2 ACE 1 H2 ACE 1 -32.692 43.057 145.233 3 H3 ACE 1 H3 ACE 1 -33.205 41.384 145.444 4 HA PRO 2 HA PRO 2 -32.891 44.031 149.494 5 HB2 PRO 2 HB2 PRO 2 -35.503 42.969 150.083 6 HB3 PRO 2 HB3 PRO 2 -35.044 44.657 149.809 7 HG2 PRO 2 HG2 PRO 2 -36.305 42.752 147.990 8 HG3 PRO 2 HG3 PRO 2 -36.237 44.519 147.908 9 HD2 PRO 2 HD2 PRO 2 -34.851 42.886 146.200 10 HD3 PRO 2 HD3 PRO 2 -34.301 44.518 146.648 11 H THR 3 H THR 3 -31.780 42.957 151.015 12 HA THR 3 HA THR 3 -32.739 40.578 152.254 13 HB THR 3 HB THR 3 -31.894 39.579 150.150 14 HG1 THR 3 HG1 THR 3 -30.546 38.075 151.195 15 HG21 THR 3 HG21 THR 3 -29.145 40.454 151.034 16 HG22 THR 3 HG22 THR 3 -30.104 41.410 149.905 17 HG23 THR 3 HG23 THR 3 -29.628 39.765 149.484 18 H THR 4 H THR 4 -31.799 40.307 154.221 19 HA THR 4 HA THR 4 -29.200 41.505 154.791 20 HB THR 4 HB THR 4 -31.310 42.276 156.724 21 HG1 THR 4 HG1 THR 4 -32.030 42.667 154.435 22 HG21 THR 4 HG21 THR 4 -29.888 44.131 157.068 23 HG22 THR 4 HG22 THR 4 -29.136 43.956 155.482 24 HG23 THR 4 HG23 THR 4 -28.781 42.794 156.760 25 H THR 5 H THR 5 -29.651 41.450 157.651 26 HA THR 5 HA THR 5 -29.266 39.963 159.368 27 HB THR 5 HB THR 5 -30.965 38.030 159.384 28 HG1 THR 5 HG1 THR 5 -32.554 39.290 157.620 29 HG21 THR 5 HG21 THR 5 -31.761 39.683 160.728 30 HG22 THR 5 HG22 THR 5 -32.867 39.988 159.388 31 HG23 THR 5 HG23 THR 5 -31.395 40.946 159.553 32 HA PRO 6 HA PRO 6 -26.945 37.295 156.076 33 HB2 PRO 6 HB2 PRO 6 -24.574 38.063 157.518 34 HB3 PRO 6 HB3 PRO 6 -25.010 38.445 155.846 35 HG2 PRO 6 HG2 PRO 6 -25.213 40.097 158.246 36 HG3 PRO 6 HG3 PRO 6 -25.217 40.573 156.542 37 HD2 PRO 6 HD2 PRO 6 -27.443 40.689 158.134 38 HD3 PRO 6 HD3 PRO 6 -27.518 40.443 156.374 39 H LEU 7 H LEU 7 -27.610 35.340 156.909 40 HA LEU 7 HA LEU 7 -26.940 34.573 159.631 41 HB2 LEU 7 HB2 LEU 7 -28.142 32.501 159.102 42 HB3 LEU 7 HB3 LEU 7 -29.102 33.910 158.646 43 HG LEU 7 HG LEU 7 -27.597 33.423 156.372 44 HD11 LEU 7 HD11 LEU 7 -27.783 31.047 155.911 45 HD12 LEU 7 HD12 LEU 7 -28.593 30.771 157.452 46 HD13 LEU 7 HD13 LEU 7 -26.897 31.249 157.421 47 HD21 LEU 7 HD21 LEU 7 -30.391 32.564 157.170 48 HD22 LEU 7 HD22 LEU 7 -29.789 32.459 155.516 49 HD23 LEU 7 HD23 LEU 7 -29.924 34.029 156.307 50 H LYS 8 H LYS 8 -25.529 32.927 160.221 51 HA LYS 8 HA LYS 8 -23.316 32.500 158.385 52 HB2 LYS 8 HB2 LYS 8 -22.993 33.022 160.822 53 HB3 LYS 8 HB3 LYS 8 -23.667 31.434 161.195 54 HG2 LYS 8 HG2 LYS 8 -21.609 30.567 160.914 55 HG3 LYS 8 HG3 LYS 8 -21.726 30.982 159.203 56 HD2 LYS 8 HD2 LYS 8 -19.715 32.004 160.082 57 HD3 LYS 8 HD3 LYS 8 -20.890 33.285 159.777 58 HE2 LYS 8 HE2 LYS 8 -20.694 33.914 161.928 59 HE3 LYS 8 HE3 LYS 8 -21.388 32.366 162.405 60 HZ1 LYS 8 HZ1 LYS 8 -19.173 32.825 163.380 61 HZ2 LYS 8 HZ2 LYS 8 -18.510 32.784 161.817 62 HZ3 LYS 8 HZ3 LYS 8 -19.231 31.392 162.474 63 HN1 NH2 9 HN1 NH2 9 -25.035 30.999 156.938 64 HN2 NH2 9 HN2 NH2 9 -24.150 29.557 157.058 Start of MODEL 45 1 H1 ACE 1 H1 ACE 1 -29.415 44.800 157.056 2 H2 ACE 1 H2 ACE 1 -30.639 45.935 156.484 3 H3 ACE 1 H3 ACE 1 -29.017 45.962 155.790 4 HA PRO 2 HA PRO 2 -32.335 43.367 153.361 5 HB2 PRO 2 HB2 PRO 2 -31.291 44.723 151.043 6 HB3 PRO 2 HB3 PRO 2 -32.922 44.820 151.726 7 HG2 PRO 2 HG2 PRO 2 -30.665 46.663 152.011 8 HG3 PRO 2 HG3 PRO 2 -32.395 46.947 152.255 9 HD2 PRO 2 HD2 PRO 2 -30.621 46.841 154.322 10 HD3 PRO 2 HD3 PRO 2 -32.317 46.332 154.490 11 H THR 3 H THR 3 -31.257 41.430 153.516 12 HA THR 3 HA THR 3 -29.031 41.025 151.634 13 HB THR 3 HB THR 3 -28.098 39.437 153.489 14 HG1 THR 3 HG1 THR 3 -29.894 39.809 154.881 15 HG21 THR 3 HG21 THR 3 -27.021 41.608 154.553 16 HG22 THR 3 HG22 THR 3 -27.863 42.410 153.226 17 HG23 THR 3 HG23 THR 3 -26.668 41.159 152.884 18 H THR 4 H THR 4 -28.518 38.444 151.863 19 HA THR 4 HA THR 4 -31.016 37.193 151.019 20 HB THR 4 HB THR 4 -28.246 35.986 151.044 21 HG1 THR 4 HG1 THR 4 -29.579 37.529 149.076 22 HG21 THR 4 HG21 THR 4 -30.100 35.268 148.913 23 HG22 THR 4 HG22 THR 4 -30.757 34.902 150.508 24 HG23 THR 4 HG23 THR 4 -29.205 34.223 150.017 25 H THR 5 H THR 5 -32.252 36.237 152.498 26 HA THR 5 HA THR 5 -32.913 35.082 154.373 27 HB THR 5 HB THR 5 -30.884 33.282 154.897 28 HG1 THR 5 HG1 THR 5 -29.578 33.510 153.273 29 HG21 THR 5 HG21 THR 5 -33.228 33.256 152.997 30 HG22 THR 5 HG22 THR 5 -33.121 32.551 154.609 31 HG23 THR 5 HG23 THR 5 -32.238 31.822 153.268 32 HA PRO 6 HA PRO 6 -30.969 36.711 157.951 33 HB2 PRO 6 HB2 PRO 6 -31.539 34.456 159.660 34 HB3 PRO 6 HB3 PRO 6 -32.430 35.978 159.516 35 HG2 PRO 6 HG2 PRO 6 -33.354 33.503 158.722 36 HG3 PRO 6 HG3 PRO 6 -33.990 35.062 158.179 37 HD2 PRO 6 HD2 PRO 6 -32.177 33.168 156.752 38 HD3 PRO 6 HD3 PRO 6 -33.392 34.287 156.092 39 H LEU 7 H LEU 7 -28.756 36.753 157.555 40 HA LEU 7 HA LEU 7 -27.118 35.026 159.116 41 HB2 LEU 7 HB2 LEU 7 -27.610 33.518 157.182 42 HB3 LEU 7 HB3 LEU 7 -26.842 34.699 156.121 43 HG LEU 7 HG LEU 7 -24.759 34.508 157.489 44 HD11 LEU 7 HD11 LEU 7 -26.564 32.726 159.037 45 HD12 LEU 7 HD12 LEU 7 -25.224 33.728 159.593 46 HD13 LEU 7 HD13 LEU 7 -24.904 32.170 158.832 47 HD21 LEU 7 HD21 LEU 7 -24.200 33.017 155.896 48 HD22 LEU 7 HD22 LEU 7 -25.896 32.580 155.686 49 HD23 LEU 7 HD23 LEU 7 -24.908 31.734 156.876 50 H LYS 8 H LYS 8 -26.507 37.130 159.842 51 HA LYS 8 HA LYS 8 -25.121 38.960 159.927 52 HB2 LYS 8 HB2 LYS 8 -23.657 37.767 157.573 53 HB3 LYS 8 HB3 LYS 8 -23.013 38.802 158.848 54 HG2 LYS 8 HG2 LYS 8 -24.079 36.687 160.271 55 HG3 LYS 8 HG3 LYS 8 -23.426 35.897 158.836 56 HD2 LYS 8 HD2 LYS 8 -21.276 37.171 159.227 57 HD3 LYS 8 HD3 LYS 8 -21.945 37.693 160.774 58 HE2 LYS 8 HE2 LYS 8 -22.235 35.319 161.430 59 HE3 LYS 8 HE3 LYS 8 -21.511 34.820 159.902 60 HZ1 LYS 8 HZ1 LYS 8 -19.611 34.888 161.051 61 HZ2 LYS 8 HZ2 LYS 8 -20.259 35.862 162.283 62 HZ3 LYS 8 HZ3 LYS 8 -19.703 36.569 160.841 63 HN1 NH2 9 HN1 NH2 9 -27.454 39.951 157.378 64 HN2 NH2 9 HN2 NH2 9 -26.841 38.519 156.705 Start of MODEL 46 1 H1 ACE 1 H1 ACE 1 -28.112 46.315 152.976 2 H2 ACE 1 H2 ACE 1 -27.240 44.829 153.353 3 H3 ACE 1 H3 ACE 1 -28.405 45.485 154.504 4 HA PRO 2 HA PRO 2 -31.271 44.313 150.706 5 HB2 PRO 2 HB2 PRO 2 -29.628 42.680 148.993 6 HB3 PRO 2 HB3 PRO 2 -30.441 44.203 148.603 7 HG2 PRO 2 HG2 PRO 2 -27.645 43.705 149.277 8 HG3 PRO 2 HG3 PRO 2 -28.383 45.099 148.476 9 HD2 PRO 2 HD2 PRO 2 -27.382 45.192 151.025 10 HD3 PRO 2 HD3 PRO 2 -28.706 46.236 150.461 11 H THR 3 H THR 3 -32.536 42.685 151.384 12 HA THR 3 HA THR 3 -33.231 40.627 152.134 13 HB THR 3 HB THR 3 -30.674 39.264 151.536 14 HG1 THR 3 HG1 THR 3 -30.576 39.854 149.525 15 HG21 THR 3 HG21 THR 3 -32.809 38.106 152.088 16 HG22 THR 3 HG22 THR 3 -32.199 37.670 150.493 17 HG23 THR 3 HG23 THR 3 -33.534 38.811 150.644 18 H THR 4 H THR 4 -32.904 39.111 153.892 19 HA THR 4 HA THR 4 -30.617 39.597 155.648 20 HB THR 4 HB THR 4 -31.794 40.452 157.449 21 HG1 THR 4 HG1 THR 4 -33.380 38.850 157.501 22 HG21 THR 4 HG21 THR 4 -33.407 41.433 155.077 23 HG22 THR 4 HG22 THR 4 -31.840 42.073 155.573 24 HG23 THR 4 HG23 THR 4 -33.239 42.253 156.629 25 H THR 5 H THR 5 -31.709 37.342 154.062 26 HA THR 5 HA THR 5 -32.794 35.489 156.011 27 HB THR 5 HB THR 5 -31.844 34.192 153.627 28 HG1 THR 5 HG1 THR 5 -33.572 35.648 152.466 29 HG21 THR 5 HG21 THR 5 -34.260 33.734 153.370 30 HG22 THR 5 HG22 THR 5 -34.611 34.921 154.626 31 HG23 THR 5 HG23 THR 5 -33.724 33.451 155.026 32 HA PRO 6 HA PRO 6 -28.386 33.664 155.504 33 HB2 PRO 6 HB2 PRO 6 -26.615 35.715 154.523 34 HB3 PRO 6 HB3 PRO 6 -27.059 34.189 153.745 35 HG2 PRO 6 HG2 PRO 6 -27.774 36.706 152.864 36 HG3 PRO 6 HG3 PRO 6 -28.561 35.190 152.400 37 HD2 PRO 6 HD2 PRO 6 -29.463 37.263 154.346 38 HD3 PRO 6 HD3 PRO 6 -30.430 36.176 153.323 39 H LEU 7 H LEU 7 -27.266 33.533 157.372 40 HA LEU 7 HA LEU 7 -26.606 36.028 158.808 41 HB2 LEU 7 HB2 LEU 7 -27.166 33.786 160.581 42 HB3 LEU 7 HB3 LEU 7 -27.787 35.435 160.629 43 HG LEU 7 HG LEU 7 -29.325 34.780 158.706 44 HD11 LEU 7 HD11 LEU 7 -29.206 32.711 157.820 45 HD12 LEU 7 HD12 LEU 7 -29.298 31.963 159.415 46 HD13 LEU 7 HD13 LEU 7 -27.737 32.465 158.763 47 HD21 LEU 7 HD21 LEU 7 -30.494 33.044 160.537 48 HD22 LEU 7 HD22 LEU 7 -30.694 34.796 160.508 49 HD23 LEU 7 HD23 LEU 7 -29.464 34.065 161.539 50 H LYS 8 H LYS 8 -24.714 36.002 160.019 51 HA LYS 8 HA LYS 8 -23.121 33.579 160.197 52 HB2 LYS 8 HB2 LYS 8 -21.162 34.963 159.109 53 HB3 LYS 8 HB3 LYS 8 -22.288 34.068 158.090 54 HG2 LYS 8 HG2 LYS 8 -23.539 36.039 157.575 55 HG3 LYS 8 HG3 LYS 8 -22.723 36.967 158.835 56 HD2 LYS 8 HD2 LYS 8 -20.580 36.718 157.613 57 HD3 LYS 8 HD3 LYS 8 -21.424 35.842 156.336 58 HE2 LYS 8 HE2 LYS 8 -21.695 37.883 155.381 59 HE3 LYS 8 HE3 LYS 8 -22.966 38.106 156.584 60 HZ1 LYS 8 HZ1 LYS 8 -21.272 39.027 158.087 61 HZ2 LYS 8 HZ2 LYS 8 -21.455 39.947 156.670 62 HZ3 LYS 8 HZ3 LYS 8 -20.120 38.910 156.848 63 HN1 NH2 9 HN1 NH2 9 -23.438 37.114 161.244 64 HN2 NH2 9 HN2 NH2 9 -21.749 37.180 161.400 Start of MODEL 47 1 H1 ACE 1 H1 ACE 1 -36.932 40.849 150.770 2 H2 ACE 1 H2 ACE 1 -37.088 41.721 152.296 3 H3 ACE 1 H3 ACE 1 -35.705 40.660 152.022 4 HA PRO 2 HA PRO 2 -34.461 44.969 150.845 5 HB2 PRO 2 HB2 PRO 2 -32.133 44.663 152.518 6 HB3 PRO 2 HB3 PRO 2 -33.507 45.758 152.740 7 HG2 PRO 2 HG2 PRO 2 -32.902 43.594 154.347 8 HG3 PRO 2 HG3 PRO 2 -34.469 44.410 154.261 9 HD2 PRO 2 HD2 PRO 2 -33.627 41.817 153.053 10 HD3 PRO 2 HD3 PRO 2 -35.234 42.337 153.612 11 H THR 3 H THR 3 -31.991 42.503 151.632 12 HA THR 3 HA THR 3 -31.176 42.356 148.841 13 HB THR 3 HB THR 3 -28.861 42.832 150.584 14 HG1 THR 3 HG1 THR 3 -29.383 44.751 151.231 15 HG21 THR 3 HG21 THR 3 -28.135 44.119 148.651 16 HG22 THR 3 HG22 THR 3 -29.763 44.084 147.976 17 HG23 THR 3 HG23 THR 3 -28.827 42.594 148.096 18 H THR 4 H THR 4 -29.836 41.593 152.067 19 HA THR 4 HA THR 4 -30.121 38.740 151.528 20 HB THR 4 HB THR 4 -27.422 40.020 152.021 21 HG1 THR 4 HG1 THR 4 -27.259 39.904 149.949 22 HG21 THR 4 HG21 THR 4 -26.928 37.417 151.453 23 HG22 THR 4 HG22 THR 4 -28.468 37.260 152.301 24 HG23 THR 4 HG23 THR 4 -27.097 38.032 153.097 25 H THR 5 H THR 5 -30.505 37.618 153.355 26 HA THR 5 HA THR 5 -30.691 39.084 155.849 27 HB THR 5 HB THR 5 -32.201 37.107 154.790 28 HG1 THR 5 HG1 THR 5 -33.143 37.882 156.490 29 HG21 THR 5 HG21 THR 5 -31.750 35.006 155.813 30 HG22 THR 5 HG22 THR 5 -30.528 35.702 156.877 31 HG23 THR 5 HG23 THR 5 -30.207 35.544 155.150 32 HA PRO 6 HA PRO 6 -27.010 37.618 157.731 33 HB2 PRO 6 HB2 PRO 6 -28.198 36.981 160.279 34 HB3 PRO 6 HB3 PRO 6 -27.322 38.447 159.815 35 HG2 PRO 6 HG2 PRO 6 -30.020 38.302 160.388 36 HG3 PRO 6 HG3 PRO 6 -29.223 39.608 159.499 37 HD2 PRO 6 HD2 PRO 6 -30.871 37.353 158.454 38 HD3 PRO 6 HD3 PRO 6 -30.654 38.994 157.803 39 H LEU 7 H LEU 7 -25.836 35.764 157.925 40 HA LEU 7 HA LEU 7 -27.327 33.225 157.909 41 HB2 LEU 7 HB2 LEU 7 -24.484 33.880 157.100 42 HB3 LEU 7 HB3 LEU 7 -25.189 32.263 157.062 43 HG LEU 7 HG LEU 7 -26.786 34.364 155.721 44 HD11 LEU 7 HD11 LEU 7 -24.568 35.087 155.024 45 HD12 LEU 7 HD12 LEU 7 -25.340 34.248 153.679 46 HD13 LEU 7 HD13 LEU 7 -24.110 33.428 154.641 47 HD21 LEU 7 HD21 LEU 7 -25.834 31.614 154.860 48 HD22 LEU 7 HD22 LEU 7 -27.123 32.556 154.112 49 HD23 LEU 7 HD23 LEU 7 -27.328 31.922 155.746 50 H LYS 8 H LYS 8 -24.279 34.526 159.247 51 HA LYS 8 HA LYS 8 -24.262 32.486 161.317 52 HB2 LYS 8 HB2 LYS 8 -22.218 33.523 160.065 53 HB3 LYS 8 HB3 LYS 8 -22.389 34.830 161.239 54 HG2 LYS 8 HG2 LYS 8 -21.018 33.467 162.477 55 HG3 LYS 8 HG3 LYS 8 -22.560 32.732 162.917 56 HD2 LYS 8 HD2 LYS 8 -22.275 31.132 161.005 57 HD3 LYS 8 HD3 LYS 8 -20.667 31.805 160.738 58 HE2 LYS 8 HE2 LYS 8 -20.793 31.244 163.493 59 HE3 LYS 8 HE3 LYS 8 -21.519 29.848 162.696 60 HZ1 LYS 8 HZ1 LYS 8 -19.353 29.266 162.532 61 HZ2 LYS 8 HZ2 LYS 8 -18.790 30.870 162.546 62 HZ3 LYS 8 HZ3 LYS 8 -19.444 30.207 161.124 63 HN1 NH2 9 HN1 NH2 9 -25.236 33.447 163.912 64 HN2 NH2 9 HN2 NH2 9 -23.739 34.244 163.962 Start of MODEL 48 1 H1 ACE 1 H1 ACE 1 -31.693 46.726 147.661 2 H2 ACE 1 H2 ACE 1 -32.872 46.943 148.955 3 H3 ACE 1 H3 ACE 1 -33.318 46.063 147.494 4 HA PRO 2 HA PRO 2 -29.874 43.164 149.438 5 HB2 PRO 2 HB2 PRO 2 -29.509 44.129 152.127 6 HB3 PRO 2 HB3 PRO 2 -28.302 43.996 150.839 7 HG2 PRO 2 HG2 PRO 2 -29.772 46.337 151.777 8 HG3 PRO 2 HG3 PRO 2 -28.283 46.243 150.827 9 HD2 PRO 2 HD2 PRO 2 -30.675 47.068 149.779 10 HD3 PRO 2 HD3 PRO 2 -29.409 46.281 148.810 11 H THR 3 H THR 3 -30.058 41.610 151.399 12 HA THR 3 HA THR 3 -32.437 41.694 152.986 13 HB THR 3 HB THR 3 -33.517 41.149 150.870 14 HG1 THR 3 HG1 THR 3 -33.470 38.634 151.970 15 HG21 THR 3 HG21 THR 3 -32.403 38.532 150.425 16 HG22 THR 3 HG22 THR 3 -31.114 39.734 150.400 17 HG23 THR 3 HG23 THR 3 -32.492 39.896 149.312 18 H THR 4 H THR 4 -30.258 41.403 154.186 19 HA THR 4 HA THR 4 -29.305 38.645 154.231 20 HB THR 4 HB THR 4 -28.440 40.875 156.066 21 HG1 THR 4 HG1 THR 4 -27.895 40.402 153.363 22 HG21 THR 4 HG21 THR 4 -26.809 38.620 154.908 23 HG22 THR 4 HG22 THR 4 -27.785 38.391 156.360 24 HG23 THR 4 HG23 THR 4 -26.484 39.584 156.350 25 H THR 5 H THR 5 -29.828 37.163 155.734 26 HA THR 5 HA THR 5 -30.941 37.918 158.298 27 HB THR 5 HB THR 5 -32.669 37.193 156.070 28 HG1 THR 5 HG1 THR 5 -33.216 37.888 158.762 29 HG21 THR 5 HG21 THR 5 -34.079 35.628 157.436 30 HG22 THR 5 HG22 THR 5 -32.754 35.525 158.595 31 HG23 THR 5 HG23 THR 5 -32.530 34.941 156.947 32 HA PRO 6 HA PRO 6 -30.147 33.193 157.908 33 HB2 PRO 6 HB2 PRO 6 -28.765 32.688 155.430 34 HB3 PRO 6 HB3 PRO 6 -30.358 32.104 155.934 35 HG2 PRO 6 HG2 PRO 6 -29.881 33.921 153.910 36 HG3 PRO 6 HG3 PRO 6 -31.429 33.670 154.727 37 HD2 PRO 6 HD2 PRO 6 -29.438 35.859 155.098 38 HD3 PRO 6 HD3 PRO 6 -31.205 35.889 155.302 39 H LEU 7 H LEU 7 -28.503 32.806 159.268 40 HA LEU 7 HA LEU 7 -26.417 32.837 160.234 41 HB2 LEU 7 HB2 LEU 7 -25.933 32.337 157.335 42 HB3 LEU 7 HB3 LEU 7 -24.538 32.703 158.350 43 HG LEU 7 HG LEU 7 -26.545 30.686 159.300 44 HD11 LEU 7 HD11 LEU 7 -26.012 30.015 156.987 45 HD12 LEU 7 HD12 LEU 7 -25.270 28.911 158.145 46 HD13 LEU 7 HD13 LEU 7 -24.289 30.140 157.344 47 HD21 LEU 7 HD21 LEU 7 -24.836 30.031 160.711 48 HD22 LEU 7 HD22 LEU 7 -24.369 31.715 160.474 49 HD23 LEU 7 HD23 LEU 7 -23.577 30.441 159.547 50 H LYS 8 H LYS 8 -24.080 33.966 159.846 51 HA LYS 8 HA LYS 8 -22.922 35.945 159.977 52 HB2 LYS 8 HB2 LYS 8 -24.932 37.063 158.023 53 HB3 LYS 8 HB3 LYS 8 -23.245 37.529 158.238 54 HG2 LYS 8 HG2 LYS 8 -22.735 35.040 157.635 55 HG3 LYS 8 HG3 LYS 8 -24.367 35.043 156.966 56 HD2 LYS 8 HD2 LYS 8 -23.238 35.765 155.097 57 HD3 LYS 8 HD3 LYS 8 -23.478 37.329 155.875 58 HE2 LYS 8 HE2 LYS 8 -21.185 37.375 155.443 59 HE3 LYS 8 HE3 LYS 8 -21.219 36.752 157.092 60 HZ1 LYS 8 HZ1 LYS 8 -19.883 35.223 156.082 61 HZ2 LYS 8 HZ2 LYS 8 -20.668 35.343 154.580 62 HZ3 LYS 8 HZ3 LYS 8 -21.390 34.479 155.852 63 HN1 NH2 9 HN1 NH2 9 -24.605 38.923 160.164 64 HN2 NH2 9 HN2 NH2 9 -26.102 38.163 159.912 Start of MODEL 49 1 H1 ACE 1 H1 ACE 1 -30.720 42.226 148.488 2 H2 ACE 1 H2 ACE 1 -29.072 42.692 148.911 3 H3 ACE 1 H3 ACE 1 -30.058 43.751 147.902 4 HA PRO 2 HA PRO 2 -31.720 46.143 151.169 5 HB2 PRO 2 HB2 PRO 2 -34.436 45.186 151.091 6 HB3 PRO 2 HB3 PRO 2 -33.788 46.697 150.434 7 HG2 PRO 2 HG2 PRO 2 -34.433 44.199 149.067 8 HG3 PRO 2 HG3 PRO 2 -34.213 45.824 148.406 9 HD2 PRO 2 HD2 PRO 2 -32.420 43.791 148.009 10 HD3 PRO 2 HD3 PRO 2 -31.955 45.507 148.026 11 H THR 3 H THR 3 -32.896 42.790 151.151 12 HA THR 3 HA THR 3 -32.316 42.627 154.032 13 HB THR 3 HB THR 3 -34.827 41.462 152.819 14 HG1 THR 3 HG1 THR 3 -34.967 43.704 152.766 15 HG21 THR 3 HG21 THR 3 -33.475 40.915 155.179 16 HG22 THR 3 HG22 THR 3 -35.175 40.568 154.864 17 HG23 THR 3 HG23 THR 3 -34.716 42.062 155.679 18 H THR 4 H THR 4 -30.529 41.343 153.730 19 HA THR 4 HA THR 4 -31.072 38.579 152.971 20 HB THR 4 HB THR 4 -28.614 39.698 151.743 21 HG1 THR 4 HG1 THR 4 -30.401 41.187 151.305 22 HG21 THR 4 HG21 THR 4 -29.151 38.055 150.036 23 HG22 THR 4 HG22 THR 4 -30.753 37.807 150.731 24 HG23 THR 4 HG23 THR 4 -29.318 37.300 151.620 25 H THR 5 H THR 5 -30.414 37.556 154.753 26 HA THR 5 HA THR 5 -27.652 37.789 155.598 27 HB THR 5 HB THR 5 -29.840 38.397 157.598 28 HG1 THR 5 HG1 THR 5 -28.590 39.962 155.805 29 HG21 THR 5 HG21 THR 5 -27.856 39.053 158.990 30 HG22 THR 5 HG22 THR 5 -26.814 38.401 157.726 31 HG23 THR 5 HG23 THR 5 -27.910 37.333 158.603 32 HA PRO 6 HA PRO 6 -29.624 33.634 156.121 33 HB2 PRO 6 HB2 PRO 6 -27.490 32.520 154.538 34 HB3 PRO 6 HB3 PRO 6 -29.211 32.624 154.139 35 HG2 PRO 6 HG2 PRO 6 -27.182 34.020 152.884 36 HG3 PRO 6 HG3 PRO 6 -28.904 34.428 152.830 37 HD2 PRO 6 HD2 PRO 6 -26.722 35.685 154.427 38 HD3 PRO 6 HD3 PRO 6 -28.212 36.408 153.778 39 H LEU 7 H LEU 7 -29.053 33.407 158.272 40 HA LEU 7 HA LEU 7 -27.774 32.906 160.124 41 HB2 LEU 7 HB2 LEU 7 -26.908 31.000 157.983 42 HB3 LEU 7 HB3 LEU 7 -26.057 30.998 159.528 43 HG LEU 7 HG LEU 7 -28.180 30.671 160.720 44 HD11 LEU 7 HD11 LEU 7 -29.334 30.762 157.920 45 HD12 LEU 7 HD12 LEU 7 -29.715 31.831 159.270 46 HD13 LEU 7 HD13 LEU 7 -30.219 30.141 159.313 47 HD21 LEU 7 HD21 LEU 7 -27.596 28.760 158.443 48 HD22 LEU 7 HD22 LEU 7 -28.756 28.394 159.719 49 HD23 LEU 7 HD23 LEU 7 -27.055 28.639 160.117 50 H LYS 8 H LYS 8 -26.733 34.910 160.393 51 HA LYS 8 HA LYS 8 -24.919 36.297 160.639 52 HB2 LYS 8 HB2 LYS 8 -23.994 33.846 161.245 53 HB3 LYS 8 HB3 LYS 8 -22.983 34.193 159.842 54 HG2 LYS 8 HG2 LYS 8 -22.357 36.375 160.882 55 HG3 LYS 8 HG3 LYS 8 -23.279 35.920 162.316 56 HD2 LYS 8 HD2 LYS 8 -21.827 34.092 162.797 57 HD3 LYS 8 HD3 LYS 8 -21.070 34.181 161.206 58 HE2 LYS 8 HE2 LYS 8 -20.911 36.367 163.301 59 HE3 LYS 8 HE3 LYS 8 -19.649 35.171 163.010 60 HZ1 LYS 8 HZ1 LYS 8 -19.160 37.175 161.805 61 HZ2 LYS 8 HZ2 LYS 8 -20.685 37.153 161.058 62 HZ3 LYS 8 HZ3 LYS 8 -19.544 35.948 160.699 63 HN1 NH2 9 HN1 NH2 9 -23.156 37.539 158.370 64 HN2 NH2 9 HN2 NH2 9 -24.829 37.829 158.341 Start of MODEL 50 1 H1 ACE 1 H1 ACE 1 -26.455 40.124 153.609 2 H2 ACE 1 H2 ACE 1 -27.124 40.092 151.977 3 H3 ACE 1 H3 ACE 1 -27.474 38.778 153.102 4 HA PRO 2 HA PRO 2 -29.667 42.596 155.259 5 HB2 PRO 2 HB2 PRO 2 -29.736 44.658 153.249 6 HB3 PRO 2 HB3 PRO 2 -28.987 44.716 154.852 7 HG2 PRO 2 HG2 PRO 2 -27.760 44.271 152.240 8 HG3 PRO 2 HG3 PRO 2 -27.018 44.765 153.768 9 HD2 PRO 2 HD2 PRO 2 -26.645 42.291 152.655 10 HD3 PRO 2 HD3 PRO 2 -26.569 42.590 154.407 11 H THR 3 H THR 3 -29.844 41.429 152.043 12 HA THR 3 HA THR 3 -32.665 42.143 151.715 13 HB THR 3 HB THR 3 -32.432 41.179 149.478 14 HG1 THR 3 HG1 THR 3 -30.949 39.751 149.177 15 HG21 THR 3 HG21 THR 3 -29.990 42.598 149.227 16 HG22 THR 3 HG22 THR 3 -30.897 43.369 150.527 17 HG23 THR 3 HG23 THR 3 -31.621 43.199 148.928 18 H THR 4 H THR 4 -30.704 39.160 151.524 19 HA THR 4 HA THR 4 -33.086 37.550 152.029 20 HB THR 4 HB THR 4 -31.522 35.635 151.690 21 HG1 THR 4 HG1 THR 4 -29.506 36.095 151.963 22 HG21 THR 4 HG21 THR 4 -32.735 36.580 149.786 23 HG22 THR 4 HG22 THR 4 -31.112 36.102 149.286 24 HG23 THR 4 HG23 THR 4 -31.482 37.803 149.573 25 H THR 5 H THR 5 -32.518 39.169 154.189 26 HA THR 5 HA THR 5 -32.132 39.143 156.456 27 HB THR 5 HB THR 5 -32.242 36.481 157.198 28 HG1 THR 5 HG1 THR 5 -32.657 35.688 155.218 29 HG21 THR 5 HG21 THR 5 -34.354 38.587 156.733 30 HG22 THR 5 HG22 THR 5 -33.603 38.111 158.257 31 HG23 THR 5 HG23 THR 5 -34.740 37.025 157.456 32 HA PRO 6 HA PRO 6 -27.946 38.111 157.286 33 HB2 PRO 6 HB2 PRO 6 -28.335 37.476 160.070 34 HB3 PRO 6 HB3 PRO 6 -27.766 38.995 159.361 35 HG2 PRO 6 HG2 PRO 6 -30.182 38.628 160.649 36 HG3 PRO 6 HG3 PRO 6 -29.787 39.963 159.557 37 HD2 PRO 6 HD2 PRO 6 -31.423 37.526 159.035 38 HD3 PRO 6 HD3 PRO 6 -31.554 39.150 158.324 39 H LEU 7 H LEU 7 -26.476 36.410 157.514 40 HA LEU 7 HA LEU 7 -27.561 33.772 158.257 41 HB2 LEU 7 HB2 LEU 7 -25.900 34.321 155.785 42 HB3 LEU 7 HB3 LEU 7 -26.474 32.742 156.323 43 HG LEU 7 HG LEU 7 -28.814 34.119 156.304 44 HD11 LEU 7 HD11 LEU 7 -27.692 36.144 155.403 45 HD12 LEU 7 HD12 LEU 7 -28.883 35.498 154.274 46 HD13 LEU 7 HD13 LEU 7 -27.165 35.211 154.002 47 HD21 LEU 7 HD21 LEU 7 -27.440 32.668 154.021 48 HD22 LEU 7 HD22 LEU 7 -29.157 33.073 154.029 49 HD23 LEU 7 HD23 LEU 7 -28.506 31.966 155.239 50 H LYS 8 H LYS 8 -25.646 35.895 159.366 51 HA LYS 8 HA LYS 8 -23.652 33.995 160.290 52 HB2 LYS 8 HB2 LYS 8 -21.763 35.554 159.708 53 HB3 LYS 8 HB3 LYS 8 -22.514 34.768 158.318 54 HG2 LYS 8 HG2 LYS 8 -23.904 37.227 158.955 55 HG3 LYS 8 HG3 LYS 8 -22.185 37.537 158.719 56 HD2 LYS 8 HD2 LYS 8 -23.877 35.922 156.793 57 HD3 LYS 8 HD3 LYS 8 -23.548 37.644 156.599 58 HE2 LYS 8 HE2 LYS 8 -21.509 37.220 155.742 59 HE3 LYS 8 HE3 LYS 8 -21.092 36.205 157.123 60 HZ1 LYS 8 HZ1 LYS 8 -21.062 34.969 155.035 61 HZ2 LYS 8 HZ2 LYS 8 -22.701 35.337 154.781 62 HZ3 LYS 8 HZ3 LYS 8 -22.240 34.363 156.095 63 HN1 NH2 9 HN1 NH2 9 -22.052 36.653 161.150 64 HN2 NH2 9 HN2 NH2 9 -22.680 36.486 162.718 Start of MODEL 51 1 H1 ACE 1 H1 ACE 1 -27.485 46.378 149.695 2 H2 ACE 1 H2 ACE 1 -28.378 46.313 148.174 3 H3 ACE 1 H3 ACE 1 -27.456 44.911 148.716 4 HA PRO 2 HA PRO 2 -32.166 44.938 149.881 5 HB2 PRO 2 HB2 PRO 2 -32.172 42.247 148.853 6 HB3 PRO 2 HB3 PRO 2 -33.059 43.653 148.245 7 HG2 PRO 2 HG2 PRO 2 -30.590 42.444 147.263 8 HG3 PRO 2 HG3 PRO 2 -31.714 43.539 146.447 9 HD2 PRO 2 HD2 PRO 2 -29.211 44.298 147.261 10 HD3 PRO 2 HD3 PRO 2 -30.576 45.431 147.131 11 H THR 3 H THR 3 -32.979 43.828 151.673 12 HA THR 3 HA THR 3 -31.029 42.694 153.447 13 HB THR 3 HB THR 3 -32.906 44.056 154.278 14 HG1 THR 3 HG1 THR 3 -31.978 42.421 155.601 15 HG21 THR 3 HG21 THR 3 -34.880 41.893 153.999 16 HG22 THR 3 HG22 THR 3 -34.417 42.644 152.472 17 HG23 THR 3 HG23 THR 3 -35.075 43.631 153.776 18 H THR 4 H THR 4 -31.454 40.588 154.578 19 HA THR 4 HA THR 4 -32.823 38.563 152.986 20 HB THR 4 HB THR 4 -30.073 37.766 153.693 21 HG1 THR 4 HG1 THR 4 -29.598 39.787 152.917 22 HG21 THR 4 HG21 THR 4 -30.260 36.513 151.690 23 HG22 THR 4 HG22 THR 4 -31.520 37.570 151.052 24 HG23 THR 4 HG23 THR 4 -31.879 36.478 152.390 25 H THR 5 H THR 5 -31.524 36.363 154.257 26 HA THR 5 HA THR 5 -32.899 36.443 156.808 27 HB THR 5 HB THR 5 -32.993 34.204 156.583 28 HG1 THR 5 HG1 THR 5 -31.208 33.041 156.680 29 HG21 THR 5 HG21 THR 5 -33.225 35.050 154.203 30 HG22 THR 5 HG22 THR 5 -32.730 33.363 154.352 31 HG23 THR 5 HG23 THR 5 -31.536 34.602 153.962 32 HA PRO 6 HA PRO 6 -29.423 36.896 159.458 33 HB2 PRO 6 HB2 PRO 6 -29.782 34.521 161.050 34 HB3 PRO 6 HB3 PRO 6 -30.295 36.174 161.418 35 HG2 PRO 6 HG2 PRO 6 -31.978 34.055 160.866 36 HG3 PRO 6 HG3 PRO 6 -32.413 35.769 160.785 37 HD2 PRO 6 HD2 PRO 6 -31.787 33.879 158.565 38 HD3 PRO 6 HD3 PRO 6 -32.863 35.294 158.577 39 H LEU 7 H LEU 7 -27.314 36.613 159.033 40 HA LEU 7 HA LEU 7 -26.275 33.882 158.678 41 HB2 LEU 7 HB2 LEU 7 -26.742 35.177 156.461 42 HB3 LEU 7 HB3 LEU 7 -25.299 36.092 156.898 43 HG LEU 7 HG LEU 7 -24.343 33.627 157.326 44 HD11 LEU 7 HD11 LEU 7 -26.511 32.567 156.716 45 HD12 LEU 7 HD12 LEU 7 -25.202 32.068 155.644 46 HD13 LEU 7 HD13 LEU 7 -26.376 33.267 155.103 47 HD21 LEU 7 HD21 LEU 7 -23.573 33.702 154.884 48 HD22 LEU 7 HD22 LEU 7 -23.240 35.144 155.843 49 HD23 LEU 7 HD23 LEU 7 -24.593 35.132 154.711 50 H LYS 8 H LYS 8 -23.723 35.277 157.779 51 HA LYS 8 HA LYS 8 -22.873 36.724 160.149 52 HB2 LYS 8 HB2 LYS 8 -21.098 35.150 160.739 53 HB3 LYS 8 HB3 LYS 8 -22.671 34.359 160.852 54 HG2 LYS 8 HG2 LYS 8 -22.304 33.512 158.494 55 HG3 LYS 8 HG3 LYS 8 -20.651 34.117 158.609 56 HD2 LYS 8 HD2 LYS 8 -20.135 32.113 159.523 57 HD3 LYS 8 HD3 LYS 8 -20.969 32.687 160.967 58 HE2 LYS 8 HE2 LYS 8 -22.112 31.023 158.712 59 HE3 LYS 8 HE3 LYS 8 -21.965 30.578 160.413 60 HZ1 LYS 8 HZ1 LYS 8 -23.811 32.512 159.164 61 HZ2 LYS 8 HZ2 LYS 8 -23.435 32.612 160.818 62 HZ3 LYS 8 HZ3 LYS 8 -24.168 31.213 160.194 63 HN1 NH2 9 HN1 NH2 9 -20.307 38.065 158.215 64 HN2 NH2 9 HN2 NH2 9 -20.567 37.582 159.821 Start of MODEL 52 1 H1 ACE 1 H1 ACE 1 -35.428 46.658 149.673 2 H2 ACE 1 H2 ACE 1 -34.816 46.443 148.033 3 H3 ACE 1 H3 ACE 1 -33.709 46.862 149.341 4 HA PRO 2 HA PRO 2 -34.092 42.137 148.329 5 HB2 PRO 2 HB2 PRO 2 -31.211 42.159 148.372 6 HB3 PRO 2 HB3 PRO 2 -32.283 41.797 147.011 7 HG2 PRO 2 HG2 PRO 2 -30.836 44.254 147.639 8 HG3 PRO 2 HG3 PRO 2 -31.538 43.717 146.107 9 HD2 PRO 2 HD2 PRO 2 -32.581 45.767 147.592 10 HD3 PRO 2 HD3 PRO 2 -33.566 44.743 146.523 11 H THR 3 H THR 3 -34.790 41.627 150.391 12 HA THR 3 HA THR 3 -33.471 42.259 152.795 13 HB THR 3 HB THR 3 -34.900 40.557 153.814 14 HG1 THR 3 HG1 THR 3 -35.516 39.865 151.134 15 HG21 THR 3 HG21 THR 3 -35.804 42.680 152.083 16 HG22 THR 3 HG22 THR 3 -36.495 42.126 153.608 17 HG23 THR 3 HG23 THR 3 -36.987 41.371 152.093 18 H THR 4 H THR 4 -31.433 41.694 153.234 19 HA THR 4 HA THR 4 -30.719 38.865 153.194 20 HB THR 4 HB THR 4 -28.725 40.713 151.958 21 HG1 THR 4 HG1 THR 4 -30.542 41.126 150.741 22 HG21 THR 4 HG21 THR 4 -28.415 38.229 152.612 23 HG22 THR 4 HG22 THR 4 -27.899 38.723 150.999 24 HG23 THR 4 HG23 THR 4 -29.433 37.880 151.215 25 H THR 5 H THR 5 -29.423 38.341 154.868 26 HA THR 5 HA THR 5 -27.686 40.297 156.114 27 HB THR 5 HB THR 5 -29.243 41.007 157.587 28 HG1 THR 5 HG1 THR 5 -29.070 38.333 158.515 29 HG21 THR 5 HG21 THR 5 -31.375 39.643 157.987 30 HG22 THR 5 HG22 THR 5 -30.799 38.572 156.708 31 HG23 THR 5 HG23 THR 5 -31.138 40.266 156.354 32 HA PRO 6 HA PRO 6 -25.085 36.958 157.179 33 HB2 PRO 6 HB2 PRO 6 -25.131 37.349 160.032 34 HB3 PRO 6 HB3 PRO 6 -23.868 37.817 158.884 35 HG2 PRO 6 HG2 PRO 6 -25.957 39.442 160.116 36 HG3 PRO 6 HG3 PRO 6 -24.450 39.941 159.335 37 HD2 PRO 6 HD2 PRO 6 -26.919 40.357 158.224 38 HD3 PRO 6 HD3 PRO 6 -25.440 40.152 157.258 39 H LEU 7 H LEU 7 -25.406 34.813 157.499 40 HA LEU 7 HA LEU 7 -27.940 33.980 158.724 41 HB2 LEU 7 HB2 LEU 7 -25.949 32.377 157.101 42 HB3 LEU 7 HB3 LEU 7 -27.549 31.841 157.614 43 HG LEU 7 HG LEU 7 -28.057 34.273 156.373 44 HD11 LEU 7 HD11 LEU 7 -25.694 34.216 155.529 45 HD12 LEU 7 HD12 LEU 7 -26.897 34.202 154.240 46 HD13 LEU 7 HD13 LEU 7 -26.074 32.709 154.695 47 HD21 LEU 7 HD21 LEU 7 -29.432 32.272 156.162 48 HD22 LEU 7 HD22 LEU 7 -28.146 31.441 155.286 49 HD23 LEU 7 HD23 LEU 7 -28.970 32.814 154.548 50 H LYS 8 H LYS 8 -24.451 33.519 158.997 51 HA LYS 8 HA LYS 8 -24.731 31.649 161.204 52 HB2 LYS 8 HB2 LYS 8 -22.820 31.902 159.335 53 HB3 LYS 8 HB3 LYS 8 -22.110 32.909 160.597 54 HG2 LYS 8 HG2 LYS 8 -22.719 30.915 162.178 55 HG3 LYS 8 HG3 LYS 8 -22.794 29.981 160.683 56 HD2 LYS 8 HD2 LYS 8 -20.490 30.816 160.123 57 HD3 LYS 8 HD3 LYS 8 -20.423 31.557 161.723 58 HE2 LYS 8 HE2 LYS 8 -19.717 29.587 162.550 59 HE3 LYS 8 HE3 LYS 8 -21.286 28.899 162.132 60 HZ1 LYS 8 HZ1 LYS 8 -19.877 27.571 160.939 61 HZ2 LYS 8 HZ2 LYS 8 -18.759 28.815 160.638 62 HZ3 LYS 8 HZ3 LYS 8 -20.225 28.759 159.780 63 HN1 NH2 9 HN1 NH2 9 -24.967 35.062 161.086 64 HN2 NH2 9 HN2 NH2 9 -25.110 35.044 162.777 Start of MODEL 53 1 H1 ACE 1 H1 ACE 1 -31.484 43.728 157.052 2 H2 ACE 1 H2 ACE 1 -31.570 44.702 155.585 3 H3 ACE 1 H3 ACE 1 -30.042 43.961 156.062 4 HA PRO 2 HA PRO 2 -32.828 40.041 155.118 5 HB2 PRO 2 HB2 PRO 2 -35.142 41.069 153.745 6 HB3 PRO 2 HB3 PRO 2 -35.085 40.150 155.256 7 HG2 PRO 2 HG2 PRO 2 -35.395 43.023 154.837 8 HG3 PRO 2 HG3 PRO 2 -35.767 42.042 156.261 9 HD2 PRO 2 HD2 PRO 2 -33.674 43.807 156.166 10 HD3 PRO 2 HD3 PRO 2 -33.672 42.350 157.187 11 H THR 3 H THR 3 -32.219 42.859 153.276 12 HA THR 3 HA THR 3 -32.677 42.255 150.660 13 HB THR 3 HB THR 3 -30.010 43.320 151.597 14 HG1 THR 3 HG1 THR 3 -31.660 45.280 151.119 15 HG21 THR 3 HG21 THR 3 -30.951 42.845 149.077 16 HG22 THR 3 HG22 THR 3 -29.771 44.095 149.473 17 HG23 THR 3 HG23 THR 3 -31.480 44.509 149.330 18 H THR 4 H THR 4 -29.804 41.212 152.505 19 HA THR 4 HA THR 4 -29.692 38.760 150.931 20 HB THR 4 HB THR 4 -27.298 39.107 150.365 21 HG1 THR 4 HG1 THR 4 -27.812 41.409 151.796 22 HG21 THR 4 HG21 THR 4 -28.970 41.383 149.295 23 HG22 THR 4 HG22 THR 4 -29.249 39.706 148.826 24 HG23 THR 4 HG23 THR 4 -27.706 40.479 148.462 25 H THR 5 H THR 5 -27.214 37.862 151.711 26 HA THR 5 HA THR 5 -26.241 36.706 153.446 27 HB THR 5 HB THR 5 -25.519 38.026 155.288 28 HG1 THR 5 HG1 THR 5 -26.731 40.221 155.332 29 HG21 THR 5 HG21 THR 5 -24.352 39.527 154.059 30 HG22 THR 5 HG22 THR 5 -25.816 40.337 153.503 31 HG23 THR 5 HG23 THR 5 -25.247 38.885 152.680 32 HA PRO 6 HA PRO 6 -30.338 35.627 155.309 33 HB2 PRO 6 HB2 PRO 6 -29.998 32.953 154.289 34 HB3 PRO 6 HB3 PRO 6 -31.202 34.161 153.816 35 HG2 PRO 6 HG2 PRO 6 -29.134 33.249 152.229 36 HG3 PRO 6 HG3 PRO 6 -30.050 34.741 151.975 37 HD2 PRO 6 HD2 PRO 6 -27.317 34.381 153.114 38 HD3 PRO 6 HD3 PRO 6 -27.992 35.750 152.200 39 H LEU 7 H LEU 7 -27.529 35.566 156.365 40 HA LEU 7 HA LEU 7 -27.917 33.365 158.292 41 HB2 LEU 7 HB2 LEU 7 -25.898 33.425 156.363 42 HB3 LEU 7 HB3 LEU 7 -25.113 33.963 157.847 43 HG LEU 7 HG LEU 7 -26.171 31.980 159.011 44 HD11 LEU 7 HD11 LEU 7 -27.570 31.812 156.574 45 HD12 LEU 7 HD12 LEU 7 -27.622 30.656 157.906 46 HD13 LEU 7 HD13 LEU 7 -26.477 30.427 156.584 47 HD21 LEU 7 HD21 LEU 7 -24.596 30.314 157.861 48 HD22 LEU 7 HD22 LEU 7 -23.857 31.802 158.451 49 HD23 LEU 7 HD23 LEU 7 -24.213 31.615 156.733 50 H LYS 8 H LYS 8 -27.559 33.893 160.389 51 HA LYS 8 HA LYS 8 -27.220 35.205 162.242 52 HB2 LYS 8 HB2 LYS 8 -25.224 36.754 160.592 53 HB3 LYS 8 HB3 LYS 8 -25.226 36.489 162.335 54 HG2 LYS 8 HG2 LYS 8 -24.939 34.032 161.898 55 HG3 LYS 8 HG3 LYS 8 -24.757 34.406 160.184 56 HD2 LYS 8 HD2 LYS 8 -22.786 35.735 160.609 57 HD3 LYS 8 HD3 LYS 8 -23.025 35.620 162.353 58 HE2 LYS 8 HE2 LYS 8 -22.957 32.987 161.114 59 HE3 LYS 8 HE3 LYS 8 -21.484 33.897 160.780 60 HZ1 LYS 8 HZ1 LYS 8 -22.657 33.234 163.415 61 HZ2 LYS 8 HZ2 LYS 8 -21.457 34.421 163.225 62 HZ3 LYS 8 HZ3 LYS 8 -21.132 32.805 162.814 63 HN1 NH2 9 HN1 NH2 9 -29.234 36.375 162.370 64 HN2 NH2 9 HN2 NH2 9 -29.246 38.024 161.970 Start of MODEL 54 1 H1 ACE 1 H1 ACE 1 -31.539 45.311 154.823 2 H2 ACE 1 H2 ACE 1 -30.015 45.501 153.953 3 H3 ACE 1 H3 ACE 1 -30.591 43.890 154.384 4 HA PRO 2 HA PRO 2 -31.727 45.429 149.927 5 HB2 PRO 2 HB2 PRO 2 -30.758 42.855 149.070 6 HB3 PRO 2 HB3 PRO 2 -30.114 44.455 148.672 7 HG2 PRO 2 HG2 PRO 2 -29.173 42.506 150.631 8 HG3 PRO 2 HG3 PRO 2 -28.328 43.882 149.910 9 HD2 PRO 2 HD2 PRO 2 -29.139 43.830 152.525 10 HD3 PRO 2 HD3 PRO 2 -28.977 45.332 151.588 11 H THR 3 H THR 3 -31.703 41.943 150.675 12 HA THR 3 HA THR 3 -34.510 41.782 151.179 13 HB THR 3 HB THR 3 -34.053 40.243 148.743 14 HG1 THR 3 HG1 THR 3 -34.290 42.274 147.492 15 HG21 THR 3 HG21 THR 3 -36.083 42.369 149.477 16 HG22 THR 3 HG22 THR 3 -36.242 40.654 149.858 17 HG23 THR 3 HG23 THR 3 -36.229 41.187 148.177 18 H THR 4 H THR 4 -31.812 40.840 152.097 19 HA THR 4 HA THR 4 -32.601 38.077 152.599 20 HB THR 4 HB THR 4 -31.249 37.860 150.576 21 HG1 THR 4 HG1 THR 4 -30.474 36.180 151.527 22 HG21 THR 4 HG21 THR 4 -29.852 40.041 151.660 23 HG22 THR 4 HG22 THR 4 -29.470 39.175 150.170 24 HG23 THR 4 HG23 THR 4 -28.708 38.698 151.687 25 H THR 5 H THR 5 -32.007 37.403 154.594 26 HA THR 5 HA THR 5 -30.763 39.343 156.354 27 HB THR 5 HB THR 5 -31.101 37.025 157.820 28 HG1 THR 5 HG1 THR 5 -33.319 37.264 156.093 29 HG21 THR 5 HG21 THR 5 -32.897 39.384 157.252 30 HG22 THR 5 HG22 THR 5 -31.844 39.125 158.642 31 HG23 THR 5 HG23 THR 5 -33.311 38.164 158.458 32 HA PRO 6 HA PRO 6 -26.738 37.594 156.483 33 HB2 PRO 6 HB2 PRO 6 -26.441 37.726 159.346 34 HB3 PRO 6 HB3 PRO 6 -25.850 38.868 158.130 35 HG2 PRO 6 HG2 PRO 6 -27.843 39.375 159.975 36 HG3 PRO 6 HG3 PRO 6 -27.552 40.293 158.490 37 HD2 PRO 6 HD2 PRO 6 -29.645 38.245 159.058 38 HD3 PRO 6 HD3 PRO 6 -29.700 39.647 157.965 39 H LEU 7 H LEU 7 -25.415 36.150 158.456 40 HA LEU 7 HA LEU 7 -27.031 33.717 158.852 41 HB2 LEU 7 HB2 LEU 7 -24.408 33.956 157.399 42 HB3 LEU 7 HB3 LEU 7 -24.863 32.454 158.202 43 HG LEU 7 HG LEU 7 -26.951 33.698 156.498 44 HD11 LEU 7 HD11 LEU 7 -24.407 32.475 155.399 45 HD12 LEU 7 HD12 LEU 7 -25.078 34.065 155.031 46 HD13 LEU 7 HD13 LEU 7 -25.896 32.609 154.463 47 HD21 LEU 7 HD21 LEU 7 -27.216 31.531 157.705 48 HD22 LEU 7 HD22 LEU 7 -25.878 30.870 156.763 49 HD23 LEU 7 HD23 LEU 7 -27.374 31.346 155.958 50 H LYS 8 H LYS 8 -23.654 33.472 159.276 51 HA LYS 8 HA LYS 8 -23.988 33.238 162.153 52 HB2 LYS 8 HB2 LYS 8 -21.647 32.776 160.298 53 HB3 LYS 8 HB3 LYS 8 -21.539 32.606 162.050 54 HG2 LYS 8 HG2 LYS 8 -22.660 30.636 162.044 55 HG3 LYS 8 HG3 LYS 8 -23.848 31.216 160.876 56 HD2 LYS 8 HD2 LYS 8 -22.495 29.371 159.935 57 HD3 LYS 8 HD3 LYS 8 -22.233 30.874 159.048 58 HE2 LYS 8 HE2 LYS 8 -20.418 30.550 161.331 59 HE3 LYS 8 HE3 LYS 8 -20.235 29.290 160.113 60 HZ1 LYS 8 HZ1 LYS 8 -18.855 30.964 159.357 61 HZ2 LYS 8 HZ2 LYS 8 -19.918 32.206 159.820 62 HZ3 LYS 8 HZ3 LYS 8 -20.274 31.239 158.468 63 HN1 NH2 9 HN1 NH2 9 -23.807 36.584 162.000 64 HN2 NH2 9 HN2 NH2 9 -23.275 36.287 160.415 Start of MODEL 55 1 H1 ACE 1 H1 ACE 1 -34.310 39.264 147.917 2 H2 ACE 1 H2 ACE 1 -33.667 40.161 146.540 3 H3 ACE 1 H3 ACE 1 -35.325 40.437 147.078 4 HA PRO 2 HA PRO 2 -34.417 43.719 149.826 5 HB2 PRO 2 HB2 PRO 2 -34.874 42.360 152.324 6 HB3 PRO 2 HB3 PRO 2 -35.948 43.483 151.477 7 HG2 PRO 2 HG2 PRO 2 -36.013 40.565 151.578 8 HG3 PRO 2 HG3 PRO 2 -37.284 41.709 151.124 9 HD2 PRO 2 HD2 PRO 2 -36.017 40.088 149.317 10 HD3 PRO 2 HD3 PRO 2 -36.708 41.669 148.888 11 H THR 3 H THR 3 -32.687 44.560 150.986 12 HA THR 3 HA THR 3 -30.271 43.079 151.010 13 HB THR 3 HB THR 3 -29.984 45.394 150.805 14 HG1 THR 3 HG1 THR 3 -28.454 44.851 152.222 15 HG21 THR 3 HG21 THR 3 -30.993 46.792 152.882 16 HG22 THR 3 HG22 THR 3 -32.166 45.474 152.821 17 HG23 THR 3 HG23 THR 3 -31.904 46.489 151.402 18 H THR 4 H THR 4 -29.621 41.591 152.414 19 HA THR 4 HA THR 4 -30.167 41.918 155.261 20 HB THR 4 HB THR 4 -31.053 39.607 155.466 21 HG1 THR 4 HG1 THR 4 -30.219 38.808 153.509 22 HG21 THR 4 HG21 THR 4 -32.504 41.695 155.205 23 HG22 THR 4 HG22 THR 4 -33.282 40.158 154.830 24 HG23 THR 4 HG23 THR 4 -32.727 41.206 153.526 25 H THR 5 H THR 5 -29.325 39.516 156.202 26 HA THR 5 HA THR 5 -26.869 38.706 154.893 27 HB THR 5 HB THR 5 -25.495 39.282 156.941 28 HG1 THR 5 HG1 THR 5 -27.381 39.686 158.247 29 HG21 THR 5 HG21 THR 5 -25.629 40.596 154.726 30 HG22 THR 5 HG22 THR 5 -24.977 41.445 156.127 31 HG23 THR 5 HG23 THR 5 -26.638 41.739 155.614 32 HA PRO 6 HA PRO 6 -28.907 35.530 157.579 33 HB2 PRO 6 HB2 PRO 6 -28.929 33.739 155.321 34 HB3 PRO 6 HB3 PRO 6 -30.309 34.470 156.153 35 HG2 PRO 6 HG2 PRO 6 -29.500 35.048 153.579 36 HG3 PRO 6 HG3 PRO 6 -30.549 36.062 154.582 37 HD2 PRO 6 HD2 PRO 6 -27.652 36.394 153.952 38 HD3 PRO 6 HD3 PRO 6 -28.886 37.629 154.294 39 H LEU 7 H LEU 7 -28.247 32.903 157.217 40 HA LEU 7 HA LEU 7 -26.575 31.412 157.744 41 HB2 LEU 7 HB2 LEU 7 -25.118 33.061 155.664 42 HB3 LEU 7 HB3 LEU 7 -24.610 31.474 156.243 43 HG LEU 7 HG LEU 7 -27.404 31.449 155.449 44 HD11 LEU 7 HD11 LEU 7 -26.966 31.700 153.002 45 HD12 LEU 7 HD12 LEU 7 -25.345 32.282 153.382 46 HD13 LEU 7 HD13 LEU 7 -26.758 33.210 153.887 47 HD21 LEU 7 HD21 LEU 7 -24.931 30.006 154.437 48 HD22 LEU 7 HD22 LEU 7 -26.596 29.535 154.100 49 HD23 LEU 7 HD23 LEU 7 -25.975 29.459 155.748 50 H LYS 8 H LYS 8 -26.324 32.172 159.902 51 HA LYS 8 HA LYS 8 -24.310 34.191 160.465 52 HB2 LYS 8 HB2 LYS 8 -26.546 33.572 161.777 53 HB3 LYS 8 HB3 LYS 8 -25.451 32.469 162.614 54 HG2 LYS 8 HG2 LYS 8 -23.922 34.370 163.076 55 HG3 LYS 8 HG3 LYS 8 -25.066 35.461 162.294 56 HD2 LYS 8 HD2 LYS 8 -26.124 35.671 164.270 57 HD3 LYS 8 HD3 LYS 8 -26.580 33.971 164.149 58 HE2 LYS 8 HE2 LYS 8 -25.377 34.458 166.267 59 HE3 LYS 8 HE3 LYS 8 -24.498 33.307 165.260 60 HZ1 LYS 8 HZ1 LYS 8 -23.941 36.172 164.961 61 HZ2 LYS 8 HZ2 LYS 8 -22.914 34.840 164.718 62 HZ3 LYS 8 HZ3 LYS 8 -23.289 35.351 166.295 63 HN1 NH2 9 HN1 NH2 9 -23.621 31.398 159.236 64 HN2 NH2 9 HN2 NH2 9 -22.212 31.077 160.127 Start of MODEL 56 1 H1 ACE 1 H1 ACE 1 -32.125 47.570 150.004 2 H2 ACE 1 H2 ACE 1 -30.539 46.930 150.433 3 H3 ACE 1 H3 ACE 1 -31.520 47.744 151.651 4 HA PRO 2 HA PRO 2 -34.217 43.779 150.633 5 HB2 PRO 2 HB2 PRO 2 -32.469 42.040 149.144 6 HB3 PRO 2 HB3 PRO 2 -34.027 42.716 148.644 7 HG2 PRO 2 HG2 PRO 2 -31.321 43.576 147.963 8 HG3 PRO 2 HG3 PRO 2 -32.856 43.931 147.159 9 HD2 PRO 2 HD2 PRO 2 -31.443 45.800 148.579 10 HD3 PRO 2 HD3 PRO 2 -33.211 45.852 148.393 11 H THR 3 H THR 3 -34.157 41.842 151.869 12 HA THR 3 HA THR 3 -32.493 41.748 154.057 13 HB THR 3 HB THR 3 -34.212 40.306 154.415 14 HG1 THR 3 HG1 THR 3 -33.420 38.314 154.476 15 HG21 THR 3 HG21 THR 3 -35.335 40.525 152.348 16 HG22 THR 3 HG22 THR 3 -35.053 38.791 152.500 17 HG23 THR 3 HG23 THR 3 -34.018 39.766 151.454 18 H THR 4 H THR 4 -30.533 40.887 154.553 19 HA THR 4 HA THR 4 -28.838 40.098 152.312 20 HB THR 4 HB THR 4 -26.995 40.419 153.807 21 HG1 THR 4 HG1 THR 4 -28.501 41.047 156.013 22 HG21 THR 4 HG21 THR 4 -28.864 42.404 153.240 23 HG22 THR 4 HG22 THR 4 -27.213 42.664 153.805 24 HG23 THR 4 HG23 THR 4 -28.543 42.604 154.963 25 H THR 5 H THR 5 -30.972 38.313 153.358 26 HA THR 5 HA THR 5 -31.286 36.098 153.886 27 HB THR 5 HB THR 5 -29.074 34.711 153.275 28 HG1 THR 5 HG1 THR 5 -27.915 35.851 151.724 29 HG21 THR 5 HG21 THR 5 -31.183 35.988 151.568 30 HG22 THR 5 HG22 THR 5 -30.962 34.287 151.981 31 HG23 THR 5 HG23 THR 5 -29.902 35.053 150.798 32 HA PRO 6 HA PRO 6 -30.116 35.156 157.980 33 HB2 PRO 6 HB2 PRO 6 -29.174 32.484 157.456 34 HB3 PRO 6 HB3 PRO 6 -30.725 32.982 158.149 35 HG2 PRO 6 HG2 PRO 6 -30.080 32.163 155.418 36 HG3 PRO 6 HG3 PRO 6 -31.645 32.220 156.242 37 HD2 PRO 6 HD2 PRO 6 -30.949 33.967 154.257 38 HD3 PRO 6 HD3 PRO 6 -32.070 34.393 155.571 39 H LEU 7 H LEU 7 -28.335 36.052 158.839 40 HA LEU 7 HA LEU 7 -25.716 35.500 157.638 41 HB2 LEU 7 HB2 LEU 7 -25.093 37.340 159.435 42 HB3 LEU 7 HB3 LEU 7 -25.829 37.789 157.898 43 HG LEU 7 HG LEU 7 -28.044 37.851 158.945 44 HD11 LEU 7 HD11 LEU 7 -26.489 36.827 161.318 45 HD12 LEU 7 HD12 LEU 7 -27.970 36.181 160.611 46 HD13 LEU 7 HD13 LEU 7 -28.016 37.682 161.536 47 HD21 LEU 7 HD21 LEU 7 -27.699 39.779 160.416 48 HD22 LEU 7 HD22 LEU 7 -26.590 39.882 159.052 49 HD23 LEU 7 HD23 LEU 7 -26.007 39.348 160.628 50 H LYS 8 H LYS 8 -23.867 35.381 159.268 51 HA LYS 8 HA LYS 8 -24.451 33.185 161.076 52 HB2 LYS 8 HB2 LYS 8 -22.051 34.356 159.819 53 HB3 LYS 8 HB3 LYS 8 -21.807 33.711 161.443 54 HG2 LYS 8 HG2 LYS 8 -22.770 31.564 160.769 55 HG3 LYS 8 HG3 LYS 8 -23.108 32.200 159.158 56 HD2 LYS 8 HD2 LYS 8 -20.304 32.438 160.127 57 HD3 LYS 8 HD3 LYS 8 -20.867 30.818 159.713 58 HE2 LYS 8 HE2 LYS 8 -21.341 33.135 157.846 59 HE3 LYS 8 HE3 LYS 8 -19.809 32.261 157.828 60 HZ1 LYS 8 HZ1 LYS 8 -22.029 31.535 156.475 61 HZ2 LYS 8 HZ2 LYS 8 -22.123 30.551 157.857 62 HZ3 LYS 8 HZ3 LYS 8 -20.745 30.498 156.864 63 HN1 NH2 9 HN1 NH2 9 -25.397 36.062 162.547 64 HN2 NH2 9 HN2 NH2 9 -23.944 36.843 162.151 Start of MODEL 57 1 H1 ACE 1 H1 ACE 1 -35.084 41.499 150.668 2 H2 ACE 1 H2 ACE 1 -35.021 39.884 149.959 3 H3 ACE 1 H3 ACE 1 -35.294 41.290 148.929 4 HA PRO 2 HA PRO 2 -31.090 42.034 147.972 5 HB2 PRO 2 HB2 PRO 2 -30.697 44.447 149.496 6 HB3 PRO 2 HB3 PRO 2 -30.973 44.284 147.754 7 HG2 PRO 2 HG2 PRO 2 -32.844 45.010 149.875 8 HG3 PRO 2 HG3 PRO 2 -32.964 45.261 148.126 9 HD2 PRO 2 HD2 PRO 2 -34.509 43.454 149.487 10 HD3 PRO 2 HD3 PRO 2 -34.056 43.255 147.780 11 H THR 3 H THR 3 -31.625 43.081 151.351 12 HA THR 3 HA THR 3 -29.509 41.222 152.209 13 HB THR 3 HB THR 3 -29.225 43.463 153.861 14 HG1 THR 3 HG1 THR 3 -30.003 44.954 152.567 15 HG21 THR 3 HG21 THR 3 -27.586 42.530 151.489 16 HG22 THR 3 HG22 THR 3 -27.441 41.945 153.146 17 HG23 THR 3 HG23 THR 3 -27.008 43.610 152.758 18 H THR 4 H THR 4 -30.665 39.848 153.435 19 HA THR 4 HA THR 4 -32.022 40.923 155.785 20 HB THR 4 HB THR 4 -33.782 40.807 154.032 21 HG1 THR 4 HG1 THR 4 -35.170 39.449 155.302 22 HG21 THR 4 HG21 THR 4 -33.676 37.829 154.115 23 HG22 THR 4 HG22 THR 4 -32.516 38.654 153.075 24 HG23 THR 4 HG23 THR 4 -34.246 38.897 152.833 25 H THR 5 H THR 5 -31.295 39.776 157.454 26 HA THR 5 HA THR 5 -30.378 38.068 158.693 27 HB THR 5 HB THR 5 -31.928 36.191 156.922 28 HG1 THR 5 HG1 THR 5 -33.076 37.456 159.135 29 HG21 THR 5 HG21 THR 5 -31.871 36.070 159.895 30 HG22 THR 5 HG22 THR 5 -30.379 35.663 159.049 31 HG23 THR 5 HG23 THR 5 -31.856 34.758 158.716 32 HA PRO 6 HA PRO 6 -27.585 37.223 154.827 33 HB2 PRO 6 HB2 PRO 6 -25.462 38.328 156.426 34 HB3 PRO 6 HB3 PRO 6 -26.129 38.954 154.910 35 HG2 PRO 6 HG2 PRO 6 -26.633 39.804 157.657 36 HG3 PRO 6 HG3 PRO 6 -26.927 40.660 156.136 37 HD2 PRO 6 HD2 PRO 6 -28.939 39.658 157.704 38 HD3 PRO 6 HD3 PRO 6 -29.077 39.853 155.941 39 H LEU 7 H LEU 7 -25.351 36.063 155.083 40 HA LEU 7 HA LEU 7 -25.696 33.644 156.390 41 HB2 LEU 7 HB2 LEU 7 -23.703 34.827 154.810 42 HB3 LEU 7 HB3 LEU 7 -22.891 34.349 156.301 43 HG LEU 7 HG LEU 7 -22.848 32.489 154.713 44 HD11 LEU 7 HD11 LEU 7 -23.244 30.980 156.357 45 HD12 LEU 7 HD12 LEU 7 -24.943 31.435 156.479 46 HD13 LEU 7 HD13 LEU 7 -23.717 32.368 157.336 47 HD21 LEU 7 HD21 LEU 7 -25.657 31.821 154.716 48 HD22 LEU 7 HD22 LEU 7 -24.587 32.083 153.338 49 HD23 LEU 7 HD23 LEU 7 -25.435 33.447 154.068 50 H LYS 8 H LYS 8 -26.121 33.452 158.507 51 HA LYS 8 HA LYS 8 -25.863 33.558 160.786 52 HB2 LYS 8 HB2 LYS 8 -23.249 33.390 159.679 53 HB3 LYS 8 HB3 LYS 8 -23.188 34.538 161.017 54 HG2 LYS 8 HG2 LYS 8 -22.797 32.296 161.885 55 HG3 LYS 8 HG3 LYS 8 -24.369 32.863 162.449 56 HD2 LYS 8 HD2 LYS 8 -25.355 31.083 161.492 57 HD3 LYS 8 HD3 LYS 8 -24.756 31.604 159.916 58 HE2 LYS 8 HE2 LYS 8 -24.007 29.294 160.541 59 HE3 LYS 8 HE3 LYS 8 -22.669 30.407 160.254 60 HZ1 LYS 8 HZ1 LYS 8 -23.240 28.955 162.572 61 HZ2 LYS 8 HZ2 LYS 8 -23.427 30.603 162.942 62 HZ3 LYS 8 HZ3 LYS 8 -21.960 30.034 162.301 63 HN1 NH2 9 HN1 NH2 9 -26.961 36.736 161.009 64 HN2 NH2 9 HN2 NH2 9 -26.697 35.496 162.139 Start of MODEL 58 1 H1 ACE 1 H1 ACE 1 -26.826 45.119 152.848 2 H2 ACE 1 H2 ACE 1 -26.236 44.309 151.397 3 H3 ACE 1 H3 ACE 1 -26.185 43.480 152.954 4 HA PRO 2 HA PRO 2 -30.073 42.583 150.195 5 HB2 PRO 2 HB2 PRO 2 -29.523 39.815 150.771 6 HB3 PRO 2 HB3 PRO 2 -29.501 40.632 149.202 7 HG2 PRO 2 HG2 PRO 2 -27.280 39.903 150.953 8 HG3 PRO 2 HG3 PRO 2 -27.276 40.305 149.229 9 HD2 PRO 2 HD2 PRO 2 -26.240 41.956 151.153 10 HD3 PRO 2 HD3 PRO 2 -26.912 42.553 149.618 11 H THR 3 H THR 3 -31.820 42.916 151.443 12 HA THR 3 HA THR 3 -31.879 42.123 154.222 13 HB THR 3 HB THR 3 -34.189 43.209 152.614 14 HG1 THR 3 HG1 THR 3 -31.799 44.344 153.223 15 HG21 THR 3 HG21 THR 3 -35.128 43.722 154.652 16 HG22 THR 3 HG22 THR 3 -33.563 43.940 155.436 17 HG23 THR 3 HG23 THR 3 -34.180 42.315 155.135 18 H THR 4 H THR 4 -31.741 39.832 154.063 19 HA THR 4 HA THR 4 -34.340 38.574 153.649 20 HB THR 4 HB THR 4 -32.202 36.989 152.426 21 HG1 THR 4 HG1 THR 4 -33.037 39.444 151.280 22 HG21 THR 4 HG21 THR 4 -33.933 36.543 150.806 23 HG22 THR 4 HG22 THR 4 -34.866 37.937 151.347 24 HG23 THR 4 HG23 THR 4 -34.683 36.536 152.402 25 H THR 5 H THR 5 -32.491 39.169 155.891 26 HA THR 5 HA THR 5 -31.874 38.138 157.851 27 HB THR 5 HB THR 5 -32.816 35.473 156.890 28 HG1 THR 5 HG1 THR 5 -34.885 36.083 156.923 29 HG21 THR 5 HG21 THR 5 -31.935 36.092 159.235 30 HG22 THR 5 HG22 THR 5 -33.459 35.207 159.150 31 HG23 THR 5 HG23 THR 5 -33.464 36.947 159.440 32 HA PRO 6 HA PRO 6 -28.423 36.390 154.945 33 HB2 PRO 6 HB2 PRO 6 -26.712 38.285 156.276 34 HB3 PRO 6 HB3 PRO 6 -27.166 38.233 154.566 35 HG2 PRO 6 HG2 PRO 6 -28.211 39.907 156.718 36 HG3 PRO 6 HG3 PRO 6 -28.316 40.123 154.965 37 HD2 PRO 6 HD2 PRO 6 -30.467 39.447 156.521 38 HD3 PRO 6 HD3 PRO 6 -30.319 38.981 154.811 39 H LEU 7 H LEU 7 -26.854 34.962 155.682 40 HA LEU 7 HA LEU 7 -27.120 34.030 158.383 41 HB2 LEU 7 HB2 LEU 7 -25.091 33.245 156.277 42 HB3 LEU 7 HB3 LEU 7 -25.482 32.343 157.742 43 HG LEU 7 HG LEU 7 -27.450 32.988 155.527 44 HD11 LEU 7 HD11 LEU 7 -27.318 30.401 155.314 45 HD12 LEU 7 HD12 LEU 7 -25.783 30.560 156.166 46 HD13 LEU 7 HD13 LEU 7 -26.015 31.359 154.611 47 HD21 LEU 7 HD21 LEU 7 -28.789 32.712 157.404 48 HD22 LEU 7 HD22 LEU 7 -27.625 31.657 158.205 49 HD23 LEU 7 HD23 LEU 7 -28.625 31.032 156.894 50 H LYS 8 H LYS 8 -24.129 34.888 156.642 51 HA LYS 8 HA LYS 8 -23.296 36.667 158.781 52 HB2 LYS 8 HB2 LYS 8 -22.488 33.901 158.750 53 HB3 LYS 8 HB3 LYS 8 -21.086 34.943 158.503 54 HG2 LYS 8 HG2 LYS 8 -21.675 36.248 160.494 55 HG3 LYS 8 HG3 LYS 8 -23.119 35.262 160.732 56 HD2 LYS 8 HD2 LYS 8 -20.675 33.664 160.457 57 HD3 LYS 8 HD3 LYS 8 -20.635 34.753 161.844 58 HE2 LYS 8 HE2 LYS 8 -22.939 32.883 161.228 59 HE3 LYS 8 HE3 LYS 8 -21.641 32.508 162.361 60 HZ1 LYS 8 HZ1 LYS 8 -22.700 35.082 162.880 61 HZ2 LYS 8 HZ2 LYS 8 -22.614 33.732 163.908 62 HZ3 LYS 8 HZ3 LYS 8 -23.949 33.934 162.877 63 HN1 NH2 9 HN1 NH2 9 -22.312 34.975 155.748 64 HN2 NH2 9 HN2 NH2 9 -21.122 36.112 155.337 Start of MODEL 59 1 H1 ACE 1 H1 ACE 1 -33.922 42.641 149.797 2 H2 ACE 1 H2 ACE 1 -33.882 41.137 148.875 3 H3 ACE 1 H3 ACE 1 -33.707 42.685 148.047 4 HA PRO 2 HA PRO 2 -29.338 42.850 148.222 5 HB2 PRO 2 HB2 PRO 2 -29.046 44.976 150.144 6 HB3 PRO 2 HB3 PRO 2 -28.889 45.064 148.383 7 HG2 PRO 2 HG2 PRO 2 -31.131 45.826 150.091 8 HG3 PRO 2 HG3 PRO 2 -30.770 46.294 148.424 9 HD2 PRO 2 HD2 PRO 2 -32.824 44.610 149.092 10 HD3 PRO 2 HD3 PRO 2 -31.981 44.542 147.528 11 H THR 3 H THR 3 -31.169 42.525 151.123 12 HA THR 3 HA THR 3 -29.374 40.640 152.254 13 HB THR 3 HB THR 3 -28.063 42.657 152.782 14 HG1 THR 3 HG1 THR 3 -28.796 42.302 155.281 15 HG21 THR 3 HG21 THR 3 -30.279 43.576 154.585 16 HG22 THR 3 HG22 THR 3 -30.286 44.048 152.886 17 HG23 THR 3 HG23 THR 3 -28.931 44.497 153.920 18 H THR 4 H THR 4 -30.705 39.268 153.231 19 HA THR 4 HA THR 4 -32.775 40.258 155.031 20 HB THR 4 HB THR 4 -33.535 38.348 152.821 21 HG1 THR 4 HG1 THR 4 -34.292 40.058 151.709 22 HG21 THR 4 HG21 THR 4 -34.735 38.979 155.233 23 HG22 THR 4 HG22 THR 4 -35.559 38.302 153.828 24 HG23 THR 4 HG23 THR 4 -35.556 40.046 154.092 25 H THR 5 H THR 5 -32.338 39.158 156.830 26 HA THR 5 HA THR 5 -31.765 37.447 158.255 27 HB THR 5 HB THR 5 -32.989 35.597 156.214 28 HG1 THR 5 HG1 THR 5 -34.090 37.766 157.085 29 HG21 THR 5 HG21 THR 5 -32.944 35.672 159.244 30 HG22 THR 5 HG22 THR 5 -32.020 34.574 158.219 31 HG23 THR 5 HG23 THR 5 -33.779 34.460 158.273 32 HA PRO 6 HA PRO 6 -28.138 36.208 155.659 33 HB2 PRO 6 HB2 PRO 6 -26.425 37.448 157.616 34 HB3 PRO 6 HB3 PRO 6 -26.702 37.936 155.938 35 HG2 PRO 6 HG2 PRO 6 -27.501 39.348 158.173 36 HG3 PRO 6 HG3 PRO 6 -28.141 39.556 156.537 37 HD2 PRO 6 HD2 PRO 6 -29.353 38.142 158.867 38 HD3 PRO 6 HD3 PRO 6 -30.146 38.984 157.516 39 H LEU 7 H LEU 7 -26.704 34.510 156.068 40 HA LEU 7 HA LEU 7 -27.143 33.109 158.619 41 HB2 LEU 7 HB2 LEU 7 -26.534 32.275 155.837 42 HB3 LEU 7 HB3 LEU 7 -25.796 31.317 157.122 43 HG LEU 7 HG LEU 7 -27.987 30.964 158.157 44 HD11 LEU 7 HD11 LEU 7 -29.935 31.719 156.462 45 HD12 LEU 7 HD12 LEU 7 -28.768 32.997 156.123 46 HD13 LEU 7 HD13 LEU 7 -29.367 32.762 157.765 47 HD21 LEU 7 HD21 LEU 7 -27.452 29.274 156.576 48 HD22 LEU 7 HD22 LEU 7 -27.729 30.352 155.208 49 HD23 LEU 7 HD23 LEU 7 -29.094 29.762 156.157 50 H LYS 8 H LYS 8 -25.695 34.302 159.909 51 HA LYS 8 HA LYS 8 -22.934 33.433 159.674 52 HB2 LYS 8 HB2 LYS 8 -23.316 35.663 158.347 53 HB3 LYS 8 HB3 LYS 8 -23.343 36.389 159.955 54 HG2 LYS 8 HG2 LYS 8 -21.160 34.883 160.267 55 HG3 LYS 8 HG3 LYS 8 -21.091 35.059 158.514 56 HD2 LYS 8 HD2 LYS 8 -21.296 37.538 158.803 57 HD3 LYS 8 HD3 LYS 8 -21.202 37.301 160.550 58 HE2 LYS 8 HE2 LYS 8 -18.958 37.335 160.381 59 HE3 LYS 8 HE3 LYS 8 -19.051 35.837 159.455 60 HZ1 LYS 8 HZ1 LYS 8 -17.970 37.958 158.433 61 HZ2 LYS 8 HZ2 LYS 8 -19.581 38.382 158.093 62 HZ3 LYS 8 HZ3 LYS 8 -18.928 36.940 157.474 63 HN1 NH2 9 HN1 NH2 9 -24.663 33.615 162.998 64 HN2 NH2 9 HN2 NH2 9 -24.178 32.479 161.835 Start of MODEL 60 1 H1 ACE 1 H1 ACE 1 -36.301 38.636 151.679 2 H2 ACE 1 H2 ACE 1 -36.056 40.048 152.706 3 H3 ACE 1 H3 ACE 1 -35.563 38.452 153.270 4 HA PRO 2 HA PRO 2 -32.411 39.691 149.863 5 HB2 PRO 2 HB2 PRO 2 -32.797 42.459 149.157 6 HB3 PRO 2 HB3 PRO 2 -32.985 41.029 148.130 7 HG2 PRO 2 HG2 PRO 2 -35.033 42.678 148.977 8 HG3 PRO 2 HG3 PRO 2 -35.223 41.033 148.356 9 HD2 PRO 2 HD2 PRO 2 -35.316 42.002 151.174 10 HD3 PRO 2 HD3 PRO 2 -36.151 40.624 150.422 11 H THR 3 H THR 3 -32.767 40.511 152.776 12 HA THR 3 HA THR 3 -31.343 42.815 153.416 13 HB THR 3 HB THR 3 -32.546 41.481 155.087 14 HG1 THR 3 HG1 THR 3 -30.478 41.235 156.497 15 HG21 THR 3 HG21 THR 3 -32.236 39.263 155.268 16 HG22 THR 3 HG22 THR 3 -30.517 39.492 155.586 17 HG23 THR 3 HG23 THR 3 -31.097 39.355 153.926 18 H THR 4 H THR 4 -29.137 43.015 154.252 19 HA THR 4 HA THR 4 -27.250 41.661 152.484 20 HB THR 4 HB THR 4 -27.106 44.105 152.760 21 HG1 THR 4 HG1 THR 4 -25.019 42.477 153.727 22 HG21 THR 4 HG21 THR 4 -27.929 44.084 155.143 23 HG22 THR 4 HG22 THR 4 -26.508 45.095 154.879 24 HG23 THR 4 HG23 THR 4 -26.334 43.507 155.626 25 H THR 5 H THR 5 -28.494 40.100 154.578 26 HA THR 5 HA THR 5 -26.086 39.015 155.770 27 HB THR 5 HB THR 5 -28.291 40.151 157.505 28 HG1 THR 5 HG1 THR 5 -25.734 40.769 158.105 29 HG21 THR 5 HG21 THR 5 -26.384 39.294 159.222 30 HG22 THR 5 HG22 THR 5 -26.223 38.074 157.958 31 HG23 THR 5 HG23 THR 5 -27.775 38.313 158.761 32 HA PRO 6 HA PRO 6 -29.441 35.985 154.775 33 HB2 PRO 6 HB2 PRO 6 -27.530 34.525 153.187 34 HB3 PRO 6 HB3 PRO 6 -28.972 35.393 152.641 35 HG2 PRO 6 HG2 PRO 6 -26.361 36.125 152.114 36 HG3 PRO 6 HG3 PRO 6 -27.774 37.181 151.986 37 HD2 PRO 6 HD2 PRO 6 -25.707 37.055 154.131 38 HD3 PRO 6 HD3 PRO 6 -26.668 38.440 153.565 39 H LEU 7 H LEU 7 -29.759 34.386 156.210 40 HA LEU 7 HA LEU 7 -29.335 32.859 157.882 41 HB2 LEU 7 HB2 LEU 7 -27.881 32.072 155.493 42 HB3 LEU 7 HB3 LEU 7 -27.095 31.479 156.956 43 HG LEU 7 HG LEU 7 -29.222 30.510 157.723 44 HD11 LEU 7 HD11 LEU 7 -30.247 32.197 155.583 45 HD12 LEU 7 HD12 LEU 7 -31.115 31.438 156.919 46 HD13 LEU 7 HD13 LEU 7 -30.826 30.537 155.429 47 HD21 LEU 7 HD21 LEU 7 -29.292 28.676 156.185 48 HD22 LEU 7 HD22 LEU 7 -27.633 29.274 156.148 49 HD23 LEU 7 HD23 LEU 7 -28.750 29.690 154.847 50 H LYS 8 H LYS 8 -28.663 33.974 159.658 51 HA LYS 8 HA LYS 8 -25.827 33.874 160.275 52 HB2 LYS 8 HB2 LYS 8 -26.021 36.036 159.117 53 HB3 LYS 8 HB3 LYS 8 -27.299 36.519 160.233 54 HG2 LYS 8 HG2 LYS 8 -25.802 37.102 161.813 55 HG3 LYS 8 HG3 LYS 8 -24.966 35.554 161.672 56 HD2 LYS 8 HD2 LYS 8 -24.609 37.819 159.693 57 HD3 LYS 8 HD3 LYS 8 -23.554 37.575 161.085 58 HE2 LYS 8 HE2 LYS 8 -23.934 35.096 159.619 59 HE3 LYS 8 HE3 LYS 8 -23.300 36.363 158.569 60 HZ1 LYS 8 HZ1 LYS 8 -21.447 36.660 159.910 61 HZ2 LYS 8 HZ2 LYS 8 -21.648 34.974 159.904 62 HZ3 LYS 8 HZ3 LYS 8 -22.151 35.886 161.245 63 HN1 NH2 9 HN1 NH2 9 -28.690 35.347 162.688 64 HN2 NH2 9 HN2 NH2 9 -29.229 34.119 161.648 Start of MODEL 61 1 H1 ACE 1 H1 ACE 1 -34.177 43.682 145.886 2 H2 ACE 1 H2 ACE 1 -34.855 42.204 146.570 3 H3 ACE 1 H3 ACE 1 -33.495 42.115 145.451 4 HA PRO 2 HA PRO 2 -31.520 44.457 149.276 5 HB2 PRO 2 HB2 PRO 2 -33.414 44.134 151.421 6 HB3 PRO 2 HB3 PRO 2 -32.806 45.639 150.715 7 HG2 PRO 2 HG2 PRO 2 -35.335 44.254 150.253 8 HG3 PRO 2 HG3 PRO 2 -34.889 45.933 149.919 9 HD2 PRO 2 HD2 PRO 2 -35.274 44.068 147.951 10 HD3 PRO 2 HD3 PRO 2 -34.179 45.458 147.773 11 H THR 3 H THR 3 -30.723 43.513 151.418 12 HA THR 3 HA THR 3 -30.450 40.653 151.106 13 HB THR 3 HB THR 3 -29.221 41.269 153.481 14 HG1 THR 3 HG1 THR 3 -29.938 43.528 152.736 15 HG21 THR 3 HG21 THR 3 -28.152 40.071 151.680 16 HG22 THR 3 HG22 THR 3 -27.158 41.482 152.047 17 HG23 THR 3 HG23 THR 3 -28.215 41.490 150.635 18 H THR 4 H THR 4 -30.433 39.417 153.356 19 HA THR 4 HA THR 4 -32.693 40.154 155.045 20 HB THR 4 HB THR 4 -33.818 38.932 153.276 21 HG1 THR 4 HG1 THR 4 -34.783 38.271 155.036 22 HG21 THR 4 HG21 THR 4 -32.727 37.343 152.123 23 HG22 THR 4 HG22 THR 4 -32.690 36.327 153.565 24 HG23 THR 4 HG23 THR 4 -31.371 37.455 153.246 25 H THR 5 H THR 5 -30.848 40.330 156.511 26 HA THR 5 HA THR 5 -29.454 39.547 158.163 27 HB THR 5 HB THR 5 -30.305 37.709 159.464 28 HG1 THR 5 HG1 THR 5 -30.806 36.116 158.141 29 HG21 THR 5 HG21 THR 5 -32.482 38.512 159.922 30 HG22 THR 5 HG22 THR 5 -32.757 38.968 158.240 31 HG23 THR 5 HG23 THR 5 -31.642 39.904 159.236 32 HA PRO 6 HA PRO 6 -27.213 36.741 155.242 33 HB2 PRO 6 HB2 PRO 6 -25.016 38.607 155.274 34 HB3 PRO 6 HB3 PRO 6 -26.078 38.188 153.921 35 HG2 PRO 6 HG2 PRO 6 -26.005 40.631 155.209 36 HG3 PRO 6 HG3 PRO 6 -27.327 40.039 154.193 37 HD2 PRO 6 HD2 PRO 6 -27.156 40.176 157.167 38 HD3 PRO 6 HD3 PRO 6 -28.580 40.285 156.109 39 H LEU 7 H LEU 7 -25.760 35.215 155.900 40 HA LEU 7 HA LEU 7 -24.327 34.046 157.262 41 HB2 LEU 7 HB2 LEU 7 -23.258 36.631 157.067 42 HB3 LEU 7 HB3 LEU 7 -23.212 36.238 158.786 43 HG LEU 7 HG LEU 7 -21.156 35.458 157.711 44 HD11 LEU 7 HD11 LEU 7 -21.153 33.551 158.935 45 HD12 LEU 7 HD12 LEU 7 -22.460 32.843 157.987 46 HD13 LEU 7 HD13 LEU 7 -22.830 33.946 159.311 47 HD21 LEU 7 HD21 LEU 7 -22.261 33.320 156.115 48 HD22 LEU 7 HD22 LEU 7 -21.173 34.617 155.620 49 HD23 LEU 7 HD23 LEU 7 -22.918 34.865 155.576 50 H LYS 8 H LYS 8 -24.840 32.922 159.029 51 HA LYS 8 HA LYS 8 -26.722 34.044 160.938 52 HB2 LYS 8 HB2 LYS 8 -26.848 31.785 161.830 53 HB3 LYS 8 HB3 LYS 8 -26.971 31.726 160.072 54 HG2 LYS 8 HG2 LYS 8 -24.298 31.517 160.311 55 HG3 LYS 8 HG3 LYS 8 -24.772 30.794 161.849 56 HD2 LYS 8 HD2 LYS 8 -26.340 29.291 160.594 57 HD3 LYS 8 HD3 LYS 8 -25.687 29.940 159.089 58 HE2 LYS 8 HE2 LYS 8 -23.384 29.289 160.382 59 HE3 LYS 8 HE3 LYS 8 -24.468 28.049 161.013 60 HZ1 LYS 8 HZ1 LYS 8 -24.632 28.549 158.158 61 HZ2 LYS 8 HZ2 LYS 8 -24.678 27.079 159.011 62 HZ3 LYS 8 HZ3 LYS 8 -23.190 27.835 158.695 63 HN1 NH2 9 HN1 NH2 9 -24.254 33.119 163.746 64 HN2 NH2 9 HN2 NH2 9 -25.660 32.351 163.185 Start of MODEL 62 1 H1 ACE 1 H1 ACE 1 -35.748 44.932 151.292 2 H2 ACE 1 H2 ACE 1 -35.085 43.808 152.479 3 H3 ACE 1 H3 ACE 1 -36.283 43.252 151.311 4 HA PRO 2 HA PRO 2 -32.496 44.387 148.416 5 HB2 PRO 2 HB2 PRO 2 -30.258 44.731 150.198 6 HB3 PRO 2 HB3 PRO 2 -30.944 45.904 149.063 7 HG2 PRO 2 HG2 PRO 2 -31.309 45.676 151.951 8 HG3 PRO 2 HG3 PRO 2 -31.608 47.051 150.879 9 HD2 PRO 2 HD2 PRO 2 -33.617 45.609 152.057 10 HD3 PRO 2 HD3 PRO 2 -33.807 46.451 150.502 11 H THR 3 H THR 3 -30.989 43.156 151.408 12 HA THR 3 HA THR 3 -30.326 40.667 149.981 13 HB THR 3 HB THR 3 -28.400 41.728 150.946 14 HG1 THR 3 HG1 THR 3 -28.977 39.366 151.391 15 HG21 THR 3 HG21 THR 3 -28.699 41.768 153.680 16 HG22 THR 3 HG22 THR 3 -30.296 42.272 153.126 17 HG23 THR 3 HG23 THR 3 -28.865 43.174 152.628 18 H THR 4 H THR 4 -30.530 38.629 151.136 19 HA THR 4 HA THR 4 -33.036 38.522 152.628 20 HB THR 4 HB THR 4 -32.953 36.866 150.966 21 HG1 THR 4 HG1 THR 4 -33.242 36.153 153.289 22 HG21 THR 4 HG21 THR 4 -30.074 36.678 151.770 23 HG22 THR 4 HG22 THR 4 -30.777 36.815 150.158 24 HG23 THR 4 HG23 THR 4 -30.841 35.278 151.021 25 H THR 5 H THR 5 -31.846 39.698 154.437 26 HA THR 5 HA THR 5 -30.905 39.684 156.534 27 HB THR 5 HB THR 5 -32.637 37.510 156.355 28 HG1 THR 5 HG1 THR 5 -32.709 38.999 157.991 29 HG21 THR 5 HG21 THR 5 -30.098 36.650 157.763 30 HG22 THR 5 HG22 THR 5 -30.565 36.086 156.158 31 HG23 THR 5 HG23 THR 5 -31.575 35.707 157.554 32 HA PRO 6 HA PRO 6 -26.751 38.301 156.194 33 HB2 PRO 6 HB2 PRO 6 -26.333 38.156 159.042 34 HB3 PRO 6 HB3 PRO 6 -25.884 39.461 157.934 35 HG2 PRO 6 HG2 PRO 6 -27.820 39.617 159.897 36 HG3 PRO 6 HG3 PRO 6 -27.666 40.704 158.510 37 HD2 PRO 6 HD2 PRO 6 -29.576 38.453 158.933 38 HD3 PRO 6 HD3 PRO 6 -29.782 39.953 157.999 39 H LEU 7 H LEU 7 -25.271 36.777 158.041 40 HA LEU 7 HA LEU 7 -26.670 34.186 158.151 41 HB2 LEU 7 HB2 LEU 7 -23.883 34.596 157.040 42 HB3 LEU 7 HB3 LEU 7 -24.714 33.051 157.225 43 HG LEU 7 HG LEU 7 -26.581 34.432 155.817 44 HD11 LEU 7 HD11 LEU 7 -23.878 35.400 154.833 45 HD12 LEU 7 HD12 LEU 7 -25.092 36.405 155.624 46 HD13 LEU 7 HD13 LEU 7 -25.429 35.693 154.046 47 HD21 LEU 7 HD21 LEU 7 -25.531 33.294 153.782 48 HD22 LEU 7 HD22 LEU 7 -25.859 32.246 155.162 49 HD23 LEU 7 HD23 LEU 7 -24.216 32.806 154.851 50 H LYS 8 H LYS 8 -25.685 32.652 159.616 51 HA LYS 8 HA LYS 8 -24.792 32.063 161.649 52 HB2 LYS 8 HB2 LYS 8 -22.726 33.058 160.253 53 HB3 LYS 8 HB3 LYS 8 -22.765 34.234 161.567 54 HG2 LYS 8 HG2 LYS 8 -21.377 32.573 162.451 55 HG3 LYS 8 HG3 LYS 8 -22.952 32.117 163.101 56 HD2 LYS 8 HD2 LYS 8 -22.397 30.077 162.220 57 HD3 LYS 8 HD3 LYS 8 -23.042 30.797 160.744 58 HE2 LYS 8 HE2 LYS 8 -20.155 30.514 161.579 59 HE3 LYS 8 HE3 LYS 8 -20.928 29.940 160.101 60 HZ1 LYS 8 HZ1 LYS 8 -20.996 32.045 159.212 61 HZ2 LYS 8 HZ2 LYS 8 -19.518 32.087 160.050 62 HZ3 LYS 8 HZ3 LYS 8 -20.899 32.817 160.719 63 HN1 NH2 9 HN1 NH2 9 -26.649 33.496 163.563 64 HN2 NH2 9 HN2 NH2 9 -25.116 33.199 164.231 Start of MODEL 63 1 H1 ACE 1 H1 ACE 1 -33.022 37.971 152.982 2 H2 ACE 1 H2 ACE 1 -34.661 38.416 153.457 3 H3 ACE 1 H3 ACE 1 -33.278 39.085 154.324 4 HA PRO 2 HA PRO 2 -34.497 42.100 151.018 5 HB2 PRO 2 HB2 PRO 2 -34.533 44.163 153.031 6 HB3 PRO 2 HB3 PRO 2 -35.894 43.511 152.105 7 HG2 PRO 2 HG2 PRO 2 -35.490 43.179 154.817 8 HG3 PRO 2 HG3 PRO 2 -36.551 42.190 153.803 9 HD2 PRO 2 HD2 PRO 2 -33.834 41.559 154.862 10 HD3 PRO 2 HD3 PRO 2 -35.186 40.466 154.487 11 H THR 3 H THR 3 -31.841 41.158 152.067 12 HA THR 3 HA THR 3 -30.280 43.403 151.099 13 HB THR 3 HB THR 3 -30.425 43.996 153.450 14 HG1 THR 3 HG1 THR 3 -28.269 43.680 152.149 15 HG21 THR 3 HG21 THR 3 -30.551 41.227 153.833 16 HG22 THR 3 HG22 THR 3 -30.510 42.460 155.093 17 HG23 THR 3 HG23 THR 3 -29.011 41.708 154.547 18 H THR 4 H THR 4 -28.183 41.781 152.937 19 HA THR 4 HA THR 4 -27.326 40.096 150.713 20 HB THR 4 HB THR 4 -25.233 40.340 151.540 21 HG1 THR 4 HG1 THR 4 -25.602 38.949 153.268 22 HG21 THR 4 HG21 THR 4 -24.893 42.408 152.665 23 HG22 THR 4 HG22 THR 4 -26.460 42.312 153.470 24 HG23 THR 4 HG23 THR 4 -26.376 42.622 151.736 25 H THR 5 H THR 5 -29.650 39.528 152.646 26 HA THR 5 HA THR 5 -30.531 37.737 153.803 27 HB THR 5 HB THR 5 -28.719 36.160 151.964 28 HG1 THR 5 HG1 THR 5 -29.840 37.319 150.573 29 HG21 THR 5 HG21 THR 5 -31.359 35.544 153.318 30 HG22 THR 5 HG22 THR 5 -29.797 34.809 153.684 31 HG23 THR 5 HG23 THR 5 -30.573 34.502 152.131 32 HA PRO 6 HA PRO 6 -26.782 37.194 156.457 33 HB2 PRO 6 HB2 PRO 6 -28.289 38.301 158.651 34 HB3 PRO 6 HB3 PRO 6 -26.879 38.990 157.832 35 HG2 PRO 6 HG2 PRO 6 -29.447 39.999 157.728 36 HG3 PRO 6 HG3 PRO 6 -28.145 40.373 156.591 37 HD2 PRO 6 HD2 PRO 6 -30.475 38.545 156.248 38 HD3 PRO 6 HD3 PRO 6 -29.589 39.490 155.030 39 H LEU 7 H LEU 7 -26.448 35.579 157.995 40 HA LEU 7 HA LEU 7 -28.811 34.171 159.043 41 HB2 LEU 7 HB2 LEU 7 -27.066 33.201 156.969 42 HB3 LEU 7 HB3 LEU 7 -26.917 32.181 158.400 43 HG LEU 7 HG LEU 7 -29.563 32.989 157.163 44 HD11 LEU 7 HD11 LEU 7 -28.096 30.341 156.978 45 HD12 LEU 7 HD12 LEU 7 -28.185 31.524 155.673 46 HD13 LEU 7 HD13 LEU 7 -29.653 30.733 156.247 47 HD21 LEU 7 HD21 LEU 7 -30.480 32.060 159.001 48 HD22 LEU 7 HD22 LEU 7 -28.862 31.912 159.688 49 HD23 LEU 7 HD23 LEU 7 -29.548 30.582 158.757 50 H LYS 8 H LYS 8 -25.765 35.498 159.506 51 HA LYS 8 HA LYS 8 -24.955 33.761 161.691 52 HB2 LYS 8 HB2 LYS 8 -23.819 36.242 160.423 53 HB3 LYS 8 HB3 LYS 8 -23.188 35.635 161.955 54 HG2 LYS 8 HG2 LYS 8 -21.905 34.728 160.050 55 HG3 LYS 8 HG3 LYS 8 -22.751 33.443 160.914 56 HD2 LYS 8 HD2 LYS 8 -24.397 33.233 159.235 57 HD3 LYS 8 HD3 LYS 8 -24.011 34.808 158.539 58 HE2 LYS 8 HE2 LYS 8 -21.949 32.613 158.598 59 HE3 LYS 8 HE3 LYS 8 -23.153 32.682 157.311 60 HZ1 LYS 8 HZ1 LYS 8 -21.573 35.067 158.025 61 HZ2 LYS 8 HZ2 LYS 8 -22.364 34.707 156.565 62 HZ3 LYS 8 HZ3 LYS 8 -20.932 33.892 156.982 63 HN1 NH2 9 HN1 NH2 9 -24.698 34.887 164.092 64 HN2 NH2 9 HN2 NH2 9 -26.372 35.051 164.312 Start of MODEL 64 1 H1 ACE 1 H1 ACE 1 -34.829 41.820 146.048 2 H2 ACE 1 H2 ACE 1 -34.298 43.450 145.633 3 H3 ACE 1 H3 ACE 1 -35.592 43.216 146.809 4 HA PRO 2 HA PRO 2 -31.126 43.719 148.635 5 HB2 PRO 2 HB2 PRO 2 -32.345 45.632 150.410 6 HB3 PRO 2 HB3 PRO 2 -31.093 45.913 149.191 7 HG2 PRO 2 HG2 PRO 2 -33.965 46.424 149.060 8 HG3 PRO 2 HG3 PRO 2 -32.654 47.080 148.069 9 HD2 PRO 2 HD2 PRO 2 -34.486 45.277 147.123 10 HD3 PRO 2 HD3 PRO 2 -32.829 45.401 146.491 11 H THR 3 H THR 3 -31.021 41.844 149.784 12 HA THR 3 HA THR 3 -32.995 41.358 151.910 13 HB THR 3 HB THR 3 -31.103 39.224 151.630 14 HG1 THR 3 HG1 THR 3 -31.221 40.502 149.446 15 HG21 THR 3 HG21 THR 3 -33.158 37.977 151.032 16 HG22 THR 3 HG22 THR 3 -34.023 39.505 150.865 17 HG23 THR 3 HG23 THR 3 -33.409 39.009 152.441 18 H THR 4 H THR 4 -31.900 40.067 153.821 19 HA THR 4 HA THR 4 -29.290 41.145 154.555 20 HB THR 4 HB THR 4 -30.151 42.058 156.698 21 HG1 THR 4 HG1 THR 4 -32.599 42.500 156.314 22 HG21 THR 4 HG21 THR 4 -30.905 44.124 155.783 23 HG22 THR 4 HG22 THR 4 -31.585 43.329 154.363 24 HG23 THR 4 HG23 THR 4 -29.837 43.429 154.564 25 H THR 5 H THR 5 -29.278 40.514 157.220 26 HA THR 5 HA THR 5 -28.841 38.723 158.594 27 HB THR 5 HB THR 5 -31.335 37.502 157.410 28 HG1 THR 5 HG1 THR 5 -32.490 38.948 158.443 29 HG21 THR 5 HG21 THR 5 -29.691 36.476 159.253 30 HG22 THR 5 HG22 THR 5 -31.440 36.276 159.357 31 HG23 THR 5 HG23 THR 5 -30.637 37.524 160.310 32 HA PRO 6 HA PRO 6 -27.173 36.178 155.107 33 HB2 PRO 6 HB2 PRO 6 -24.524 36.681 156.124 34 HB3 PRO 6 HB3 PRO 6 -25.233 37.227 154.597 35 HG2 PRO 6 HG2 PRO 6 -24.563 38.851 156.729 36 HG3 PRO 6 HG3 PRO 6 -25.666 39.279 155.411 37 HD2 PRO 6 HD2 PRO 6 -26.302 38.448 158.204 38 HD3 PRO 6 HD3 PRO 6 -27.204 39.521 157.108 39 H LEU 7 H LEU 7 -28.092 35.498 157.883 40 HA LEU 7 HA LEU 7 -28.038 33.649 159.250 41 HB2 LEU 7 HB2 LEU 7 -27.506 32.583 156.909 42 HB3 LEU 7 HB3 LEU 7 -25.883 32.409 157.579 43 HG LEU 7 HG LEU 7 -27.254 31.471 159.671 44 HD11 LEU 7 HD11 LEU 7 -29.192 30.162 158.911 45 HD12 LEU 7 HD12 LEU 7 -28.991 30.794 157.276 46 HD13 LEU 7 HD13 LEU 7 -29.449 31.877 158.591 47 HD21 LEU 7 HD21 LEU 7 -25.549 30.174 158.584 48 HD22 LEU 7 HD22 LEU 7 -26.521 30.005 157.122 49 HD23 LEU 7 HD23 LEU 7 -26.999 29.172 158.602 50 H LYS 8 H LYS 8 -25.506 32.016 159.489 51 HA LYS 8 HA LYS 8 -23.681 31.946 160.880 52 HB2 LYS 8 HB2 LYS 8 -23.346 34.876 160.213 53 HB3 LYS 8 HB3 LYS 8 -22.096 33.736 160.713 54 HG2 LYS 8 HG2 LYS 8 -23.310 32.540 158.484 55 HG3 LYS 8 HG3 LYS 8 -23.149 34.243 158.055 56 HD2 LYS 8 HD2 LYS 8 -21.104 33.154 157.398 57 HD3 LYS 8 HD3 LYS 8 -20.743 34.113 158.834 58 HE2 LYS 8 HE2 LYS 8 -19.955 32.235 159.796 59 HE3 LYS 8 HE3 LYS 8 -21.611 31.626 159.813 60 HZ1 LYS 8 HZ1 LYS 8 -20.968 30.083 158.381 61 HZ2 LYS 8 HZ2 LYS 8 -19.420 30.770 158.245 62 HZ3 LYS 8 HZ3 LYS 8 -20.678 31.294 157.230 63 HN1 NH2 9 HN1 NH2 9 -23.078 33.696 163.514 64 HN2 NH2 9 HN2 NH2 9 -23.552 35.119 162.719 Start of MODEL 65 1 H1 ACE 1 H1 ACE 1 -32.560 46.835 153.901 2 H2 ACE 1 H2 ACE 1 -34.297 47.137 153.956 3 H3 ACE 1 H3 ACE 1 -33.283 48.022 152.817 4 HA PRO 2 HA PRO 2 -33.501 44.725 149.880 5 HB2 PRO 2 HB2 PRO 2 -30.785 43.762 149.845 6 HB3 PRO 2 HB3 PRO 2 -31.556 44.909 148.739 7 HG2 PRO 2 HG2 PRO 2 -29.565 45.518 150.555 8 HG3 PRO 2 HG3 PRO 2 -30.650 46.683 149.783 9 HD2 PRO 2 HD2 PRO 2 -30.737 45.575 152.551 10 HD3 PRO 2 HD3 PRO 2 -31.273 47.160 151.948 11 H THR 3 H THR 3 -34.032 42.574 149.672 12 HA THR 3 HA THR 3 -34.239 40.954 151.946 13 HB THR 3 HB THR 3 -34.173 39.942 149.101 14 HG1 THR 3 HG1 THR 3 -36.612 40.509 150.097 15 HG21 THR 3 HG21 THR 3 -34.495 38.625 151.505 16 HG22 THR 3 HG22 THR 3 -35.075 38.046 149.944 17 HG23 THR 3 HG23 THR 3 -36.159 38.938 151.012 18 H THR 4 H THR 4 -32.056 41.091 152.826 19 HA THR 4 HA THR 4 -30.435 38.838 151.925 20 HB THR 4 HB THR 4 -28.494 40.769 152.398 21 HG1 THR 4 HG1 THR 4 -30.031 41.916 150.418 22 HG21 THR 4 HG21 THR 4 -28.287 39.038 150.736 23 HG22 THR 4 HG22 THR 4 -28.165 40.585 149.900 24 HG23 THR 4 HG23 THR 4 -29.667 39.664 149.835 25 H THR 5 H THR 5 -30.130 37.686 153.712 26 HA THR 5 HA THR 5 -29.049 38.925 156.097 27 HB THR 5 HB THR 5 -31.299 39.322 156.684 28 HG1 THR 5 HG1 THR 5 -31.642 37.811 158.336 29 HG21 THR 5 HG21 THR 5 -32.800 38.307 155.323 30 HG22 THR 5 HG22 THR 5 -32.754 36.996 156.503 31 HG23 THR 5 HG23 THR 5 -31.750 36.916 155.056 32 HA PRO 6 HA PRO 6 -27.765 34.554 155.283 33 HB2 PRO 6 HB2 PRO 6 -25.023 35.434 155.380 34 HB3 PRO 6 HB3 PRO 6 -25.921 34.800 153.994 35 HG2 PRO 6 HG2 PRO 6 -25.030 37.398 154.277 36 HG3 PRO 6 HG3 PRO 6 -26.290 36.855 153.159 37 HD2 PRO 6 HD2 PRO 6 -26.570 38.273 155.768 38 HD3 PRO 6 HD3 PRO 6 -27.616 38.329 154.331 39 H LEU 7 H LEU 7 -26.909 33.090 156.783 40 HA LEU 7 HA LEU 7 -26.723 34.083 159.506 41 HB2 LEU 7 HB2 LEU 7 -27.930 31.943 158.752 42 HB3 LEU 7 HB3 LEU 7 -26.321 31.229 158.628 43 HG LEU 7 HG LEU 7 -26.086 32.321 161.066 44 HD11 LEU 7 HD11 LEU 7 -28.955 31.428 161.131 45 HD12 LEU 7 HD12 LEU 7 -28.572 33.096 160.703 46 HD13 LEU 7 HD13 LEU 7 -28.084 32.454 162.272 47 HD21 LEU 7 HD21 LEU 7 -25.685 29.985 160.661 48 HD22 LEU 7 HD22 LEU 7 -27.388 29.691 160.309 49 HD23 LEU 7 HD23 LEU 7 -26.880 30.072 161.955 50 H LYS 8 H LYS 8 -24.867 34.719 160.379 51 HA LYS 8 HA LYS 8 -22.621 34.957 160.798 52 HB2 LYS 8 HB2 LYS 8 -22.602 32.050 159.951 53 HB3 LYS 8 HB3 LYS 8 -21.292 32.875 160.797 54 HG2 LYS 8 HG2 LYS 8 -24.032 33.027 161.979 55 HG3 LYS 8 HG3 LYS 8 -23.150 31.508 162.133 56 HD2 LYS 8 HD2 LYS 8 -21.236 32.716 163.121 57 HD3 LYS 8 HD3 LYS 8 -22.123 34.235 162.976 58 HE2 LYS 8 HE2 LYS 8 -22.755 33.738 165.119 59 HE3 LYS 8 HE3 LYS 8 -23.967 32.758 164.294 60 HZ1 LYS 8 HZ1 LYS 8 -21.312 31.631 164.883 61 HZ2 LYS 8 HZ2 LYS 8 -22.796 30.830 164.669 62 HZ3 LYS 8 HZ3 LYS 8 -22.490 31.691 166.102 63 HN1 NH2 9 HN1 NH2 9 -20.510 33.757 157.838 64 HN2 NH2 9 HN2 NH2 9 -21.737 32.629 158.160 Start of MODEL 66 1 H1 ACE 1 H1 ACE 1 -31.532 48.180 148.717 2 H2 ACE 1 H2 ACE 1 -32.065 47.507 147.176 3 H3 ACE 1 H3 ACE 1 -30.505 47.037 147.853 4 HA PRO 2 HA PRO 2 -34.232 44.092 148.847 5 HB2 PRO 2 HB2 PRO 2 -32.452 41.983 148.021 6 HB3 PRO 2 HB3 PRO 2 -33.982 42.478 147.281 7 HG2 PRO 2 HG2 PRO 2 -31.243 43.089 146.476 8 HG3 PRO 2 HG3 PRO 2 -32.743 43.185 145.543 9 HD2 PRO 2 HD2 PRO 2 -31.360 45.395 146.385 10 HD3 PRO 2 HD3 PRO 2 -33.119 45.390 146.125 11 H THR 3 H THR 3 -34.327 43.246 150.861 12 HA THR 3 HA THR 3 -32.030 43.389 152.583 13 HB THR 3 HB THR 3 -34.325 43.892 153.373 14 HG1 THR 3 HG1 THR 3 -33.077 43.348 155.029 15 HG21 THR 3 HG21 THR 3 -35.277 41.941 151.951 16 HG22 THR 3 HG22 THR 3 -36.000 42.246 153.530 17 HG23 THR 3 HG23 THR 3 -34.847 40.926 153.327 18 H THR 4 H THR 4 -31.314 41.558 153.927 19 HA THR 4 HA THR 4 -31.749 38.890 152.832 20 HB THR 4 HB THR 4 -29.312 38.488 152.561 21 HG1 THR 4 HG1 THR 4 -28.068 39.940 153.390 22 HG21 THR 4 HG21 THR 4 -30.872 39.239 150.681 23 HG22 THR 4 HG22 THR 4 -29.149 39.499 150.410 24 HG23 THR 4 HG23 THR 4 -30.180 40.848 150.887 25 H THR 5 H THR 5 -31.777 37.430 154.426 26 HA THR 5 HA THR 5 -31.157 38.276 157.130 27 HB THR 5 HB THR 5 -32.235 36.282 157.830 28 HG1 THR 5 HG1 THR 5 -31.542 34.618 156.740 29 HG21 THR 5 HG21 THR 5 -33.468 38.060 156.128 30 HG22 THR 5 HG22 THR 5 -34.298 36.810 157.057 31 HG23 THR 5 HG23 THR 5 -33.842 36.507 155.380 32 HA PRO 6 HA PRO 6 -27.045 36.551 156.724 33 HB2 PRO 6 HB2 PRO 6 -26.459 37.605 159.342 34 HB3 PRO 6 HB3 PRO 6 -25.922 38.215 157.770 35 HG2 PRO 6 HG2 PRO 6 -27.687 39.489 159.469 36 HG3 PRO 6 HG3 PRO 6 -27.488 39.828 157.744 37 HD2 PRO 6 HD2 PRO 6 -29.637 38.288 159.123 38 HD3 PRO 6 HD3 PRO 6 -29.712 39.244 157.625 39 H LEU 7 H LEU 7 -26.127 34.674 157.458 40 HA LEU 7 HA LEU 7 -27.588 33.228 159.566 41 HB2 LEU 7 HB2 LEU 7 -27.390 32.110 157.379 42 HB3 LEU 7 HB3 LEU 7 -25.633 32.203 157.494 43 HG LEU 7 HG LEU 7 -26.759 31.059 159.909 44 HD11 LEU 7 HD11 LEU 7 -27.342 29.625 157.299 45 HD12 LEU 7 HD12 LEU 7 -28.555 30.323 158.373 46 HD13 LEU 7 HD13 LEU 7 -27.576 28.959 158.915 47 HD21 LEU 7 HD21 LEU 7 -24.914 29.983 157.752 48 HD22 LEU 7 HD22 LEU 7 -25.137 29.272 159.350 49 HD23 LEU 7 HD23 LEU 7 -24.408 30.870 159.189 50 H LYS 8 H LYS 8 -24.202 33.301 158.432 51 HA LYS 8 HA LYS 8 -23.262 32.781 161.132 52 HB2 LYS 8 HB2 LYS 8 -22.205 31.688 159.173 53 HB3 LYS 8 HB3 LYS 8 -21.691 33.273 158.590 54 HG2 LYS 8 HG2 LYS 8 -20.330 33.626 160.563 55 HG3 LYS 8 HG3 LYS 8 -20.952 32.152 161.307 56 HD2 LYS 8 HD2 LYS 8 -20.004 30.876 159.332 57 HD3 LYS 8 HD3 LYS 8 -19.201 32.369 158.846 58 HE2 LYS 8 HE2 LYS 8 -17.682 30.969 160.186 59 HE3 LYS 8 HE3 LYS 8 -18.062 32.465 161.040 60 HZ1 LYS 8 HZ1 LYS 8 -19.938 30.375 161.585 61 HZ2 LYS 8 HZ2 LYS 8 -19.062 31.351 162.664 62 HZ3 LYS 8 HZ3 LYS 8 -18.358 29.944 162.023 63 HN1 NH2 9 HN1 NH2 9 -23.984 35.880 161.636 64 HN2 NH2 9 HN2 NH2 9 -22.764 35.137 162.551 Start of MODEL 67 1 H1 ACE 1 H1 ACE 1 -31.126 38.538 150.425 2 H2 ACE 1 H2 ACE 1 -29.651 38.915 149.535 3 H3 ACE 1 H3 ACE 1 -31.205 38.906 148.701 4 HA PRO 2 HA PRO 2 -32.036 43.062 149.959 5 HB2 PRO 2 HB2 PRO 2 -34.256 42.715 151.765 6 HB3 PRO 2 HB3 PRO 2 -34.297 43.139 150.046 7 HG2 PRO 2 HG2 PRO 2 -35.184 40.761 151.136 8 HG3 PRO 2 HG3 PRO 2 -34.790 41.033 149.432 9 HD2 PRO 2 HD2 PRO 2 -33.194 39.645 151.533 10 HD3 PRO 2 HD3 PRO 2 -33.244 39.362 149.779 11 H THR 3 H THR 3 -30.294 43.758 151.170 12 HA THR 3 HA THR 3 -29.215 44.627 153.007 13 HB THR 3 HB THR 3 -31.552 44.005 154.772 14 HG1 THR 3 HG1 THR 3 -31.573 46.273 153.131 15 HG21 THR 3 HG21 THR 3 -30.865 45.923 155.913 16 HG22 THR 3 HG22 THR 3 -30.088 46.613 154.488 17 HG23 THR 3 HG23 THR 3 -29.329 45.270 155.344 18 H THR 4 H THR 4 -31.305 42.097 154.416 19 HA THR 4 HA THR 4 -28.979 40.405 154.905 20 HB THR 4 HB THR 4 -30.213 40.346 157.383 21 HG1 THR 4 HG1 THR 4 -29.940 42.749 157.794 22 HG21 THR 4 HG21 THR 4 -28.142 41.511 158.130 23 HG22 THR 4 HG22 THR 4 -27.783 41.895 156.447 24 HG23 THR 4 HG23 THR 4 -27.811 40.215 156.981 25 H THR 5 H THR 5 -29.501 38.250 155.171 26 HA THR 5 HA THR 5 -32.245 37.414 155.569 27 HB THR 5 HB THR 5 -31.352 36.118 153.154 28 HG1 THR 5 HG1 THR 5 -31.761 38.907 152.943 29 HG21 THR 5 HG21 THR 5 -33.687 37.944 153.786 30 HG22 THR 5 HG22 THR 5 -33.667 36.192 153.980 31 HG23 THR 5 HG23 THR 5 -33.560 36.901 152.369 32 HA PRO 6 HA PRO 6 -29.206 33.701 155.407 33 HB2 PRO 6 HB2 PRO 6 -26.510 34.690 155.162 34 HB3 PRO 6 HB3 PRO 6 -27.414 33.680 154.025 35 HG2 PRO 6 HG2 PRO 6 -26.647 36.297 153.590 36 HG3 PRO 6 HG3 PRO 6 -27.909 35.431 152.703 37 HD2 PRO 6 HD2 PRO 6 -28.189 37.467 154.864 38 HD3 PRO 6 HD3 PRO 6 -29.276 37.101 153.505 39 H LEU 7 H LEU 7 -28.367 32.729 157.240 40 HA LEU 7 HA LEU 7 -28.482 33.955 159.691 41 HB2 LEU 7 HB2 LEU 7 -27.335 32.065 160.594 42 HB3 LEU 7 HB3 LEU 7 -28.259 31.474 159.212 43 HG LEU 7 HG LEU 7 -25.318 32.216 159.182 44 HD11 LEU 7 HD11 LEU 7 -26.764 29.761 159.802 45 HD12 LEU 7 HD12 LEU 7 -25.047 30.122 159.982 46 HD13 LEU 7 HD13 LEU 7 -25.670 29.547 158.436 47 HD21 LEU 7 HD21 LEU 7 -26.058 32.649 157.002 48 HD22 LEU 7 HD22 LEU 7 -27.297 31.394 157.070 49 HD23 LEU 7 HD23 LEU 7 -25.599 30.949 156.897 50 H LYS 8 H LYS 8 -26.138 34.443 157.291 51 HA LYS 8 HA LYS 8 -24.643 36.221 159.035 52 HB2 LYS 8 HB2 LYS 8 -23.642 33.580 158.281 53 HB3 LYS 8 HB3 LYS 8 -22.556 34.887 157.804 54 HG2 LYS 8 HG2 LYS 8 -22.597 35.778 160.096 55 HG3 LYS 8 HG3 LYS 8 -23.707 34.497 160.583 56 HD2 LYS 8 HD2 LYS 8 -22.057 32.798 160.180 57 HD3 LYS 8 HD3 LYS 8 -20.977 33.951 159.393 58 HE2 LYS 8 HE2 LYS 8 -20.428 35.010 161.417 59 HE3 LYS 8 HE3 LYS 8 -21.859 34.387 162.239 60 HZ1 LYS 8 HZ1 LYS 8 -19.729 33.267 162.837 61 HZ2 LYS 8 HZ2 LYS 8 -19.661 32.659 161.251 62 HZ3 LYS 8 HZ3 LYS 8 -20.941 32.220 162.279 63 HN1 NH2 9 HN1 NH2 9 -23.843 36.120 155.011 64 HN2 NH2 9 HN2 NH2 9 -23.462 34.785 155.986
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