NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3961 | 1egs | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ACE 1 1HA ACE 1 1.665 -6.191 2.584 2 2H ACE 1 2HA ACE 1 2.393 -6.110 4.215 3 3H ACE 1 3HA ACE 1 3.300 -6.857 2.868 4 H THR 2 H THR 2 3.266 -5.320 0.898 5 HA THR 2 HA THR 2 4.651 -2.723 1.730 6 HB THR 2 HB THR 2 5.351 -2.553 -0.712 7 HG1 THR 2 HG1 THR 2 4.301 -5.189 -0.776 8 1HG2 THR 2 1HG2 THR 2 6.998 -3.541 0.872 9 2HG2 THR 2 3HG2 THR 2 6.303 -5.162 0.601 10 3HG2 THR 2 2HG2 THR 2 7.099 -4.297 -0.741 11 H LYS 3 H LYS 3 3.531 -0.868 1.623 12 HA LYS 3 HA LYS 3 0.959 -0.605 0.199 13 1HB LYS 3 1HB LYS 3 2.408 0.059 2.813 14 2HB LYS 3 2HB LYS 3 1.718 1.398 2.024 15 1HG LYS 3 1HG LYS 3 -0.550 0.061 2.028 16 2HG LYS 3 2HG LYS 3 0.369 -1.164 2.941 17 1HD LYS 3 2HD LYS 3 0.772 0.228 4.789 18 2HD LYS 3 1HD LYS 3 0.101 1.668 4.022 19 1HE LYS 3 1HE LYS 3 -1.607 1.060 5.476 20 2HE LYS 3 2HE LYS 3 -2.203 0.401 3.960 21 1HZ LYS 3 2HZ LYS 3 -0.824 -1.147 6.117 22 2HZ LYS 3 3HZ LYS 3 -2.443 -1.170 5.787 23 3HZ LYS 3 1HZ LYS 3 -1.370 -1.800 4.701 24 H SER 4 H SER 4 0.416 1.577 -0.499 25 HA SER 4 HA SER 4 2.486 2.782 -2.387 26 1HB SER 4 2HB SER 4 0.561 3.927 -3.360 27 2HB SER 4 1HB SER 4 0.056 2.249 -3.130 28 HG SER 4 HG SER 4 -0.406 4.433 -1.382 29 H ALA 5 H ALA 5 2.676 5.219 -2.415 30 HA ALA 5 HA ALA 5 3.181 6.472 0.217 31 1HB ALA 5 3HB ALA 5 4.500 7.047 -1.792 32 2HB ALA 5 2HB ALA 5 3.040 7.654 -2.620 33 3HB ALA 5 1HB ALA 5 3.664 8.498 -1.177 34 H GLY 6 H GLY 6 1.337 6.409 1.366 35 1HA GLY 6 2HA GLY 6 -1.013 7.644 1.688 36 2HA GLY 6 1HA GLY 6 -1.354 6.893 0.106 37 H GLY 7 H GLY 7 -0.759 4.479 0.052 38 1HA GLY 7 1HA GLY 7 -0.046 2.635 1.177 39 2HA GLY 7 2HA GLY 7 -1.010 3.014 2.610 40 H ILE 8 H ILE 8 -1.597 2.223 -0.863 41 HA ILE 8 HA ILE 8 -4.140 1.184 -0.299 42 HB ILE 8 HB ILE 8 -2.481 1.707 -2.807 43 1HG1 ILE 8 2HG1 ILE 8 -2.992 3.627 -1.393 44 2HG1 ILE 8 1HG1 ILE 8 -3.383 3.764 -3.034 45 1HG2 ILE 8 2HG2 ILE 8 -4.179 0.047 -3.598 46 2HG2 ILE 8 1HG2 ILE 8 -5.478 1.070 -2.938 47 3HG2 ILE 8 3HG2 ILE 8 -4.467 1.645 -4.290 48 1HD1 ILE 8 1HD1 ILE 8 -5.084 3.345 -0.517 49 2HD1 ILE 8 2HD1 ILE 8 -4.856 4.914 -1.382 50 3HD1 ILE 8 3HD1 ILE 8 -5.837 3.567 -2.143 51 H VAL 9 H VAL 9 -2.775 -0.307 0.862 52 HA VAL 9 HA VAL 9 -1.422 -2.155 0.963 53 HB VAL 9 HB VAL 9 -3.017 -1.716 2.770 54 1HG1 VAL 9 3HG2 VAL 9 -5.125 -2.636 1.826 55 2HG1 VAL 9 2HG2 VAL 9 -4.476 -4.289 1.960 56 3HG1 VAL 9 1HG2 VAL 9 -4.768 -3.307 3.445 57 1HG2 VAL 9 3HG1 VAL 9 -0.982 -3.043 3.098 58 2HG2 VAL 9 2HG1 VAL 9 -2.268 -3.637 4.162 59 3HG2 VAL 9 1HG1 VAL 9 -1.829 -4.536 2.665 60 H LEU 10 H LEU 10 -1.101 -2.424 -1.046 61 HA LEU 10 HA LEU 10 -2.186 -3.690 -2.960 62 1HB LEU 10 2HB LEU 10 0.775 -3.520 -2.335 63 2HB LEU 10 1HB LEU 10 0.206 -3.848 -3.944 64 HG LEU 10 HG LEU 10 -1.008 -1.413 -2.626 65 1HD1 LEU 10 2HD2 LEU 10 1.316 -1.177 -1.937 66 2HD1 LEU 10 1HD2 LEU 10 1.831 -1.185 -3.644 67 3HD1 LEU 10 3HD2 LEU 10 0.774 0.130 -2.992 68 1HD2 LEU 10 1HD1 LEU 10 -1.823 -1.974 -4.764 69 2HD2 LEU 10 2HD1 LEU 10 -1.113 -0.345 -4.704 70 3HD2 LEU 10 3HD1 LEU 10 -0.194 -1.703 -5.482 71 1HN NH2 11 1HN NH2 11 -0.498 -7.339 -1.768 72 2HN NH2 11 2HN NH2 11 0.050 -5.799 -0.934 Start of MODEL 2 1 1H ACE 1 1HA ACE 1 3.988 -7.430 0.904 2 2H ACE 1 2HA ACE 1 2.374 -6.988 1.534 3 3H ACE 1 3HA ACE 1 3.619 -7.637 2.641 4 H THR 2 H THR 2 3.332 -5.132 0.185 5 HA THR 2 HA THR 2 4.317 -2.974 2.112 6 HB THR 2 HB THR 2 5.286 -3.009 -0.797 7 HG1 THR 2 HG1 THR 2 7.213 -3.969 -0.046 8 1HG2 THR 2 1HG2 THR 2 5.699 -0.897 0.464 9 2HG2 THR 2 3HG2 THR 2 6.605 -1.804 1.705 10 3HG2 THR 2 2HG2 THR 2 7.233 -1.704 0.038 11 H LYS 3 H LYS 3 3.696 -0.913 1.580 12 HA LYS 3 HA LYS 3 0.958 -0.657 0.417 13 1HB LYS 3 1HB LYS 3 2.647 0.144 2.868 14 2HB LYS 3 2HB LYS 3 1.950 1.415 2.046 15 1HG LYS 3 2HG LYS 3 0.539 0.780 3.846 16 2HG LYS 3 1HG LYS 3 -0.331 0.317 2.398 17 1HD LYS 3 2HD LYS 3 -0.705 -1.249 4.032 18 2HD LYS 3 1HD LYS 3 0.314 -2.096 2.860 19 1HE LYS 3 2HE LYS 3 2.272 -1.814 4.509 20 2HE LYS 3 1HE LYS 3 1.167 -1.017 5.643 21 1HZ LYS 3 3HZ LYS 3 -0.182 -3.057 5.664 22 2HZ LYS 3 2HZ LYS 3 0.849 -3.798 4.607 23 3HZ LYS 3 1HZ LYS 3 1.372 -3.387 6.119 24 H SER 4 H SER 4 0.431 1.512 -0.326 25 HA SER 4 HA SER 4 2.376 2.633 -2.415 26 1HB SER 4 2HB SER 4 0.099 2.002 -3.191 27 2HB SER 4 1HB SER 4 -0.629 3.085 -1.976 28 HG SER 4 HG SER 4 -0.405 4.051 -4.012 29 H ALA 5 H ALA 5 2.435 5.076 -2.567 30 HA ALA 5 HA ALA 5 3.130 6.406 -0.031 31 1HB ALA 5 1HB ALA 5 4.245 6.950 -2.167 32 2HB ALA 5 3HB ALA 5 2.706 7.524 -2.866 33 3HB ALA 5 2HB ALA 5 3.453 8.406 -1.507 34 H GLY 6 H GLY 6 1.429 6.412 1.306 35 1HA GLY 6 1HA GLY 6 -0.863 7.601 1.874 36 2HA GLY 6 2HA GLY 6 -1.394 6.893 0.328 37 H GLY 7 H GLY 7 -0.823 4.464 0.162 38 1HA GLY 7 1HA GLY 7 -0.004 2.617 1.259 39 2HA GLY 7 2HA GLY 7 -0.968 2.946 2.710 40 H ILE 8 H ILE 8 -1.498 2.269 -0.778 41 HA ILE 8 HA ILE 8 -4.126 1.433 -0.343 42 HB ILE 8 HB ILE 8 -2.373 1.898 -2.777 43 1HG1 ILE 8 2HG1 ILE 8 -2.665 3.797 -1.319 44 2HG1 ILE 8 1HG1 ILE 8 -3.071 4.040 -2.944 45 1HG2 ILE 8 1HG2 ILE 8 -4.239 0.419 -3.585 46 2HG2 ILE 8 2HG2 ILE 8 -5.417 1.592 -2.948 47 3HG2 ILE 8 3HG2 ILE 8 -4.321 2.050 -4.279 48 1HD1 ILE 8 1HD1 ILE 8 -4.844 3.707 -0.447 49 2HD1 ILE 8 2HD1 ILE 8 -4.460 5.275 -1.248 50 3HD1 ILE 8 3HD1 ILE 8 -5.540 4.054 -2.067 51 H VAL 9 H VAL 9 -3.062 -0.228 0.794 52 HA VAL 9 HA VAL 9 -1.826 -2.150 0.932 53 HB VAL 9 HB VAL 9 -3.596 -1.723 2.571 54 1HG1 VAL 9 1HG2 VAL 9 -5.626 -2.446 1.331 55 2HG1 VAL 9 2HG2 VAL 9 -5.096 -4.143 1.431 56 3HG1 VAL 9 3HG2 VAL 9 -5.508 -3.231 2.933 57 1HG2 VAL 9 1HG1 VAL 9 -1.695 -3.215 3.037 58 2HG2 VAL 9 3HG1 VAL 9 -3.133 -3.750 3.922 59 3HG2 VAL 9 2HG1 VAL 9 -2.595 -4.613 2.436 60 H LEU 10 H LEU 10 -1.379 -2.308 -1.081 61 HA LEU 10 HA LEU 10 -1.928 -3.268 -3.159 62 1HB LEU 10 1HB LEU 10 0.707 -3.470 -2.191 63 2HB LEU 10 2HB LEU 10 0.211 -3.571 -3.895 64 HG LEU 10 HG LEU 10 -0.635 -1.197 -2.226 65 1HD1 LEU 10 3HD1 LEU 10 1.758 -1.400 -2.159 66 2HD1 LEU 10 1HD1 LEU 10 1.798 -1.450 -3.984 67 3HD1 LEU 10 2HD1 LEU 10 1.221 0.044 -3.078 68 1HD2 LEU 10 2HD2 LEU 10 -1.978 -1.424 -4.149 69 2HD2 LEU 10 3HD2 LEU 10 -1.027 0.068 -4.166 70 3HD2 LEU 10 1HD2 LEU 10 -0.546 -1.368 -5.217 71 1HN NH2 11 1HN NH2 11 -2.166 -6.931 -3.534 72 2HN NH2 11 2HN NH2 11 -2.840 -5.266 -3.909 Start of MODEL 3 1 1H ACE 1 1HA ACE 1 1.903 -7.525 -0.228 2 2H ACE 1 2HA ACE 1 2.699 -6.661 -1.576 3 3H ACE 1 3HA ACE 1 3.674 -7.640 -0.442 4 H THR 2 H THR 2 4.625 -5.347 -0.718 5 HA THR 2 HA THR 2 4.020 -3.783 1.837 6 HB THR 2 HB THR 2 6.180 -2.537 1.346 7 HG1 THR 2 HG1 THR 2 7.536 -3.489 -0.197 8 1HG2 THR 2 2HG2 THR 2 6.317 -4.445 2.937 9 2HG2 THR 2 3HG2 THR 2 6.613 -5.569 1.583 10 3HG2 THR 2 1HG2 THR 2 7.803 -4.295 1.962 11 H LYS 3 H LYS 3 2.825 -1.983 1.668 12 HA LYS 3 HA LYS 3 1.622 -1.127 -0.462 13 1HB LYS 3 2HB LYS 3 0.448 -0.242 1.198 14 2HB LYS 3 1HB LYS 3 1.368 -1.147 2.254 15 1HG LYS 3 2HG LYS 3 2.744 0.650 2.930 16 2HG LYS 3 1HG LYS 3 2.002 1.795 1.768 17 1HD LYS 3 1HD LYS 3 -0.182 1.385 3.117 18 2HD LYS 3 2HD LYS 3 0.793 0.412 4.223 19 1HE LYS 3 1HE LYS 3 1.391 3.404 3.693 20 2HE LYS 3 2HE LYS 3 0.217 2.868 4.884 21 1HZ LYS 3 1HZ LYS 3 1.967 1.654 6.050 22 2HZ LYS 3 3HZ LYS 3 3.098 2.135 4.946 23 3HZ LYS 3 2HZ LYS 3 2.355 3.253 5.909 24 H SER 4 H SER 4 1.180 1.062 -1.143 25 HA SER 4 HA SER 4 3.675 2.721 -1.881 26 1HB SER 4 2HB SER 4 2.459 1.810 -3.880 27 2HB SER 4 1HB SER 4 1.003 2.687 -3.363 28 HG SER 4 HG SER 4 2.235 4.600 -3.406 29 H ALA 5 H ALA 5 3.415 5.036 -1.664 30 HA ALA 5 HA ALA 5 2.651 5.854 0.893 31 1HB ALA 5 3HB ALA 5 4.249 7.069 -0.573 32 2HB ALA 5 2HB ALA 5 2.912 7.617 -1.622 33 3HB ALA 5 1HB ALA 5 3.030 8.200 0.060 34 H GLY 6 H GLY 6 0.916 6.651 1.885 35 1HA GLY 6 1HA GLY 6 -1.288 7.540 2.276 36 2HA GLY 6 2HA GLY 6 -1.578 7.667 0.553 37 H GLY 7 H GLY 7 -0.663 4.575 2.255 38 1HA GLY 7 2HA GLY 7 -1.855 2.862 3.074 39 2HA GLY 7 1HA GLY 7 -3.347 3.804 2.940 40 H ILE 8 H ILE 8 -1.209 2.796 0.292 41 HA ILE 8 HA ILE 8 -3.289 1.478 -1.109 42 HB ILE 8 HB ILE 8 -0.508 2.409 -1.783 43 1HG1 ILE 8 2HG1 ILE 8 -2.091 4.151 -1.085 44 2HG1 ILE 8 1HG1 ILE 8 -1.251 4.386 -2.528 45 1HG2 ILE 8 1HG2 ILE 8 -1.165 0.570 -3.399 46 2HG2 ILE 8 3HG2 ILE 8 -2.619 1.493 -3.833 47 3HG2 ILE 8 2HG2 ILE 8 -1.007 2.152 -4.211 48 1HD1 ILE 8 1HD1 ILE 8 -4.176 3.554 -2.021 49 2HD1 ILE 8 3HD1 ILE 8 -3.636 5.220 -2.477 50 3HD1 ILE 8 2HD1 ILE 8 -3.541 3.844 -3.673 51 H VAL 9 H VAL 9 -3.184 -0.092 0.384 52 HA VAL 9 HA VAL 9 -1.101 -2.000 0.915 53 HB VAL 9 HB VAL 9 -3.849 -1.502 2.162 54 1HG1 VAL 9 3HG2 VAL 9 -3.260 -3.930 2.595 55 2HG1 VAL 9 2HG2 VAL 9 -1.733 -3.455 3.351 56 3HG1 VAL 9 1HG2 VAL 9 -3.296 -3.018 4.118 57 1HG2 VAL 9 1HG1 VAL 9 -2.153 0.277 2.600 58 2HG2 VAL 9 2HG1 VAL 9 -2.629 -0.503 4.118 59 3HG2 VAL 9 3HG1 VAL 9 -1.056 -0.891 3.347 60 H LEU 10 H LEU 10 -1.349 -2.467 -1.166 61 HA LEU 10 HA LEU 10 -2.955 -3.681 -2.697 62 1HB LEU 10 1HB LEU 10 0.058 -4.039 -2.558 63 2HB LEU 10 2HB LEU 10 -0.832 -4.419 -3.994 64 HG LEU 10 HG LEU 10 -1.406 -1.656 -2.890 65 1HD1 LEU 10 3HD2 LEU 10 0.994 -1.742 -2.489 66 2HD1 LEU 10 1HD2 LEU 10 1.310 -2.224 -4.174 67 3HD1 LEU 10 2HD2 LEU 10 0.663 -0.588 -3.788 68 1HD2 LEU 10 2HD1 LEU 10 -2.574 -2.290 -4.805 69 2HD2 LEU 10 3HD1 LEU 10 -1.557 -0.858 -5.097 70 3HD2 LEU 10 1HD1 LEU 10 -1.043 -2.478 -5.735 71 1HN NH2 11 1HN NH2 11 -1.775 -7.459 -1.316 72 2HN NH2 11 2HN NH2 11 -0.762 -6.004 -0.845 Start of MODEL 4 1 1H ACE 1 1HA ACE 1 2.934 -7.419 2.020 2 2H ACE 1 2HA ACE 1 3.909 -7.651 0.540 3 3H ACE 1 3HA ACE 1 2.267 -6.954 0.429 4 H THR 2 H THR 2 3.939 -5.556 -0.792 5 HA THR 2 HA THR 2 5.173 -3.353 0.937 6 HB THR 2 HB THR 2 6.040 -2.398 -1.258 7 HG1 THR 2 HG1 THR 2 5.975 -3.802 -3.025 8 1HG2 THR 2 1HG2 THR 2 7.608 -3.812 0.065 9 2HG2 THR 2 3HG2 THR 2 7.003 -5.273 -0.761 10 3HG2 THR 2 2HG2 THR 2 7.858 -4.013 -1.690 11 H LYS 3 H LYS 3 3.984 -1.626 1.324 12 HA LYS 3 HA LYS 3 1.378 -1.074 -0.017 13 1HB LYS 3 1HB LYS 3 2.022 -1.071 2.590 14 2HB LYS 3 2HB LYS 3 2.660 0.516 2.086 15 1HG LYS 3 1HG LYS 3 0.313 1.181 1.397 16 2HG LYS 3 2HG LYS 3 -0.177 -0.406 1.963 17 1HD LYS 3 2HD LYS 3 -0.833 0.913 3.696 18 2HD LYS 3 1HD LYS 3 0.626 0.181 4.324 19 1HE LYS 3 1HE LYS 3 1.883 2.359 3.827 20 2HE LYS 3 2HE LYS 3 0.376 3.071 3.229 21 1HZ LYS 3 3HZ LYS 3 0.796 2.023 5.990 22 2HZ LYS 3 1HZ LYS 3 0.748 3.617 5.560 23 3HZ LYS 3 2HZ LYS 3 -0.611 2.686 5.433 24 H SER 4 H SER 4 0.944 1.205 -0.278 25 HA SER 4 HA SER 4 2.913 2.742 -2.081 26 1HB SER 4 1HB SER 4 -0.150 2.869 -1.980 27 2HB SER 4 2HB SER 4 0.896 3.888 -2.982 28 HG SER 4 HG SER 4 0.109 2.087 -4.115 29 H ALA 5 H ALA 5 3.046 5.048 -1.683 30 HA ALA 5 HA ALA 5 2.728 6.014 1.088 31 1HB ALA 5 1HB ALA 5 4.545 6.824 -0.401 32 2HB ALA 5 3HB ALA 5 3.349 7.502 -1.540 33 3HB ALA 5 2HB ALA 5 3.512 8.191 0.099 34 H GLY 6 H GLY 6 0.933 6.918 1.932 35 1HA GLY 6 1HA GLY 6 -1.318 8.034 1.835 36 2HA GLY 6 2HA GLY 6 -1.542 7.404 0.192 37 H GLY 7 H GLY 7 -1.348 4.941 0.068 38 1HA GLY 7 1HA GLY 7 -0.874 3.083 1.363 39 2HA GLY 7 2HA GLY 7 -2.211 3.428 2.481 40 H ILE 8 H ILE 8 -2.381 2.953 -1.256 41 HA ILE 8 HA ILE 8 -4.158 1.323 -1.335 42 HB ILE 8 HB ILE 8 -1.801 2.005 -3.152 43 1HG1 ILE 8 1HG1 ILE 8 -3.242 3.509 -4.278 44 2HG1 ILE 8 2HG1 ILE 8 -4.725 2.888 -3.484 45 1HG2 ILE 8 2HG2 ILE 8 -2.658 -0.193 -3.960 46 2HG2 ILE 8 1HG2 ILE 8 -4.299 0.468 -4.092 47 3HG2 ILE 8 3HG2 ILE 8 -2.979 1.091 -5.128 48 1HD1 ILE 8 1HD1 ILE 8 -2.703 4.675 -2.180 49 2HD1 ILE 8 2HD1 ILE 8 -4.343 5.139 -2.837 50 3HD1 ILE 8 3HD1 ILE 8 -4.178 3.989 -1.471 51 H VAL 9 H VAL 9 -3.704 -0.018 0.112 52 HA VAL 9 HA VAL 9 -1.639 -1.654 0.851 53 HB VAL 9 HB VAL 9 -3.337 -0.533 2.320 54 1HG1 VAL 9 1HG1 VAL 9 -5.429 -1.576 1.522 55 2HG1 VAL 9 3HG1 VAL 9 -4.924 -3.141 2.202 56 3HG1 VAL 9 2HG1 VAL 9 -5.231 -1.737 3.292 57 1HG2 VAL 9 1HG2 VAL 9 -1.421 -1.810 3.205 58 2HG2 VAL 9 2HG2 VAL 9 -2.815 -1.983 4.282 59 3HG2 VAL 9 3HG2 VAL 9 -2.354 -3.312 3.158 60 H LEU 10 H LEU 10 -1.608 -2.375 -1.185 61 HA LEU 10 HA LEU 10 -2.598 -4.441 -2.387 62 1HB LEU 10 2HB LEU 10 0.304 -3.544 -2.221 63 2HB LEU 10 1HB LEU 10 -0.233 -4.585 -3.500 64 HG LEU 10 HG LEU 10 -1.883 -2.077 -3.082 65 1HD1 LEU 10 3HD2 LEU 10 0.446 -1.223 -2.902 66 2HD1 LEU 10 1HD2 LEU 10 0.806 -1.886 -4.522 67 3HD1 LEU 10 2HD2 LEU 10 -0.422 -0.568 -4.296 68 1HD2 LEU 10 3HD1 LEU 10 -2.691 -3.570 -4.684 69 2HD2 LEU 10 2HD1 LEU 10 -2.314 -1.974 -5.372 70 3HD2 LEU 10 1HD1 LEU 10 -1.196 -3.377 -5.674 71 1HN NH2 11 1HN NH2 11 -0.193 -7.047 -0.152 72 2HN NH2 11 2HN NH2 11 0.154 -5.247 -0.063 Start of MODEL 5 1 1H ACE 1 1HA ACE 1 3.310 -8.016 0.217 2 2H ACE 1 2HA ACE 1 2.599 -6.814 -0.898 3 3H ACE 1 3HA ACE 1 4.357 -7.135 -0.932 4 H THR 2 H THR 2 3.887 -4.690 -0.779 5 HA THR 2 HA THR 2 3.645 -3.625 2.062 6 HB THR 2 HB THR 2 5.711 -2.157 1.768 7 HG1 THR 2 HG1 THR 2 7.236 -2.902 0.269 8 1HG2 THR 2 1HG2 THR 2 5.929 -4.130 3.273 9 2HG2 THR 2 3HG2 THR 2 6.406 -5.148 1.888 10 3HG2 THR 2 2HG2 THR 2 7.451 -3.797 2.403 11 H LYS 3 H LYS 3 2.302 -1.934 1.907 12 HA LYS 3 HA LYS 3 1.135 -1.085 -0.257 13 1HB LYS 3 2HB LYS 3 -0.183 -0.390 1.348 14 2HB LYS 3 1HB LYS 3 0.645 -1.363 2.369 15 1HG LYS 3 1HG LYS 3 0.988 1.681 2.290 16 2HG LYS 3 2HG LYS 3 -0.019 0.693 3.386 17 1HD LYS 3 2HD LYS 3 1.791 -0.379 4.418 18 2HD LYS 3 1HD LYS 3 2.996 0.372 3.359 19 1HE LYS 3 2HE LYS 3 3.211 1.625 5.322 20 2HE LYS 3 1HE LYS 3 2.225 2.689 4.331 21 1HZ LYS 3 2HZ LYS 3 1.218 0.888 6.498 22 2HZ LYS 3 3HZ LYS 3 1.387 2.528 6.597 23 3HZ LYS 3 1HZ LYS 3 0.259 1.874 5.582 24 H SER 4 H SER 4 0.495 1.137 -0.721 25 HA SER 4 HA SER 4 2.710 2.529 -2.190 26 1HB SER 4 1HB SER 4 0.836 3.698 -3.300 27 2HB SER 4 2HB SER 4 0.366 2.008 -3.170 28 HG SER 4 HG SER 4 -0.757 2.592 -1.245 29 H ALA 5 H ALA 5 2.777 4.993 -2.238 30 HA ALA 5 HA ALA 5 3.026 6.268 0.437 31 1HB ALA 5 2HB ALA 5 4.517 6.895 -1.446 32 2HB ALA 5 3HB ALA 5 3.118 7.430 -2.416 33 3HB ALA 5 1HB ALA 5 3.560 8.310 -0.927 34 H GLY 6 H GLY 6 1.271 6.927 1.511 35 1HA GLY 6 1HA GLY 6 -1.085 7.790 1.755 36 2HA GLY 6 2HA GLY 6 -1.451 7.172 0.131 37 H GLY 7 H GLY 7 -1.104 4.765 -0.142 38 1HA GLY 7 1HA GLY 7 -0.311 2.817 0.657 39 2HA GLY 7 2HA GLY 7 -0.902 3.104 2.295 40 H ILE 8 H ILE 8 -2.709 2.829 -0.914 41 HA ILE 8 HA ILE 8 -4.538 1.342 -0.066 42 HB ILE 8 HB ILE 8 -3.176 2.273 -2.711 43 1HG1 ILE 8 1HG1 ILE 8 -4.954 3.868 -2.923 44 2HG1 ILE 8 2HG1 ILE 8 -5.925 3.058 -1.644 45 1HG2 ILE 8 1HG2 ILE 8 -4.277 0.247 -3.533 46 2HG2 ILE 8 2HG2 ILE 8 -5.860 0.876 -3.020 47 3HG2 ILE 8 3HG2 ILE 8 -4.897 1.735 -4.267 48 1HD1 ILE 8 3HD1 ILE 8 -3.504 4.767 -1.161 49 2HD1 ILE 8 2HD1 ILE 8 -5.249 5.232 -0.931 50 3HD1 ILE 8 1HD1 ILE 8 -4.505 3.927 0.044 51 H VAL 9 H VAL 9 -2.620 -0.007 0.687 52 HA VAL 9 HA VAL 9 -1.507 -2.176 1.031 53 HB VAL 9 HB VAL 9 -4.220 -1.431 1.934 54 1HG1 VAL 9 2HG1 VAL 9 -4.805 -3.846 1.518 55 2HG1 VAL 9 1HG1 VAL 9 -3.488 -4.358 2.589 56 3HG1 VAL 9 3HG1 VAL 9 -4.883 -3.438 3.250 57 1HG2 VAL 9 2HG2 VAL 9 -2.163 -0.778 3.132 58 2HG2 VAL 9 1HG2 VAL 9 -3.275 -1.635 4.213 59 3HG2 VAL 9 3HG2 VAL 9 -1.834 -2.468 3.546 60 H LEU 10 H LEU 10 -0.969 -2.343 -1.066 61 HA LEU 10 HA LEU 10 -1.787 -3.807 -2.974 62 1HB LEU 10 1HB LEU 10 0.977 -3.383 -1.695 63 2HB LEU 10 2HB LEU 10 0.732 -3.936 -3.323 64 HG LEU 10 HG LEU 10 -0.362 -2.115 -4.038 65 1HD1 LEU 10 3HD1 LEU 10 -1.771 -1.172 -2.575 66 2HD1 LEU 10 2HD1 LEU 10 -0.493 -0.393 -1.616 67 3HD1 LEU 10 1HD1 LEU 10 -0.820 0.118 -3.327 68 1HD2 LEU 10 1HD2 LEU 10 2.246 -2.007 -3.794 69 2HD2 LEU 10 3HD2 LEU 10 1.595 -0.329 -3.821 70 3HD2 LEU 10 2HD2 LEU 10 1.983 -1.130 -2.263 71 1HN NH2 11 1HN NH2 11 -0.339 -7.266 -1.077 72 2HN NH2 11 2HN NH2 11 0.080 -5.633 -0.352 Start of MODEL 6 1 1H ACE 1 1HA ACE 1 3.547 -5.263 5.160 2 2H ACE 1 2HA ACE 1 4.133 -6.287 3.817 3 3H ACE 1 3HA ACE 1 2.462 -5.653 3.794 4 H THR 2 H THR 2 3.646 -5.193 1.642 5 HA THR 2 HA THR 2 5.106 -2.509 1.594 6 HB THR 2 HB THR 2 5.243 -2.856 -0.920 7 HG1 THR 2 HG1 THR 2 4.265 -5.426 -0.215 8 1HG2 THR 2 1HG2 THR 2 7.223 -3.541 0.422 9 2HG2 THR 2 2HG2 THR 2 6.523 -5.167 0.647 10 3HG2 THR 2 3HG2 THR 2 6.981 -4.611 -0.985 11 H LYS 3 H LYS 3 3.929 -0.703 1.383 12 HA LYS 3 HA LYS 3 1.164 -0.618 0.299 13 1HB LYS 3 1HB LYS 3 2.808 0.178 2.741 14 2HB LYS 3 2HB LYS 3 2.083 1.498 1.951 15 1HG LYS 3 1HG LYS 3 -0.175 0.210 2.243 16 2HG LYS 3 2HG LYS 3 0.752 -1.025 3.080 17 1HD LYS 3 1HD LYS 3 0.461 1.822 4.091 18 2HD LYS 3 2HD LYS 3 -0.558 0.436 4.474 19 1HE LYS 3 2HE LYS 3 2.425 0.496 5.197 20 2HE LYS 3 1HE LYS 3 1.168 1.134 6.257 21 1HZ LYS 3 1HZ LYS 3 0.149 -1.078 6.326 22 2HZ LYS 3 3HZ LYS 3 1.320 -1.694 5.337 23 3HZ LYS 3 2HZ LYS 3 1.718 -1.138 6.840 24 H SER 4 H SER 4 0.549 1.539 -0.422 25 HA SER 4 HA SER 4 2.443 2.799 -2.468 26 1HB SER 4 1HB SER 4 0.196 2.217 -3.276 27 2HB SER 4 2HB SER 4 -0.578 3.124 -1.955 28 HG SER 4 HG SER 4 -0.431 4.296 -3.887 29 H ALA 5 H ALA 5 2.490 5.242 -2.494 30 HA ALA 5 HA ALA 5 3.100 6.473 0.128 31 1HB ALA 5 1HB ALA 5 4.322 7.094 -1.930 32 2HB ALA 5 3HB ALA 5 2.817 7.681 -2.688 33 3HB ALA 5 2HB ALA 5 3.486 8.522 -1.265 34 H GLY 6 H GLY 6 1.340 6.456 1.377 35 1HA GLY 6 2HA GLY 6 -1.034 7.552 1.819 36 2HA GLY 6 1HA GLY 6 -1.432 6.836 0.236 37 H GLY 7 H GLY 7 -0.703 4.438 0.090 38 1HA GLY 7 1HA GLY 7 0.078 2.579 1.151 39 2HA GLY 7 2HA GLY 7 -0.849 2.905 2.617 40 H ILE 8 H ILE 8 -1.504 2.234 -0.858 41 HA ILE 8 HA ILE 8 -4.096 1.423 -0.259 42 HB ILE 8 HB ILE 8 -2.469 1.834 -2.804 43 1HG1 ILE 8 2HG1 ILE 8 -2.646 3.741 -1.360 44 2HG1 ILE 8 1HG1 ILE 8 -3.157 3.986 -2.957 45 1HG2 ILE 8 1HG2 ILE 8 -4.386 0.420 -3.582 46 2HG2 ILE 8 3HG2 ILE 8 -5.525 1.572 -2.842 47 3HG2 ILE 8 2HG2 ILE 8 -4.499 2.065 -4.214 48 1HD1 ILE 8 1HD1 ILE 8 -4.751 3.703 -0.340 49 2HD1 ILE 8 2HD1 ILE 8 -4.389 5.257 -1.178 50 3HD1 ILE 8 3HD1 ILE 8 -5.554 4.058 -1.910 51 H VAL 9 H VAL 9 -2.783 -0.253 0.773 52 HA VAL 9 HA VAL 9 -1.600 -2.133 0.761 53 HB VAL 9 HB VAL 9 -3.104 -1.707 2.657 54 1HG1 VAL 9 3HG1 VAL 9 -5.279 -2.542 1.774 55 2HG1 VAL 9 2HG1 VAL 9 -4.665 -4.213 1.819 56 3HG1 VAL 9 1HG1 VAL 9 -4.870 -3.281 3.349 57 1HG2 VAL 9 1HG2 VAL 9 -1.096 -3.091 2.849 58 2HG2 VAL 9 3HG2 VAL 9 -2.350 -3.692 3.948 59 3HG2 VAL 9 2HG2 VAL 9 -1.998 -4.548 2.404 60 H LEU 10 H LEU 10 -1.160 -2.380 -1.248 61 HA LEU 10 HA LEU 10 -1.832 -3.678 -3.350 62 1HB LEU 10 2HB LEU 10 0.663 -3.770 -1.568 63 2HB LEU 10 1HB LEU 10 0.647 -4.212 -3.246 64 HG LEU 10 HG LEU 10 0.027 -2.214 -4.033 65 1HD1 LEU 10 3HD1 LEU 10 -1.457 -1.056 -2.824 66 2HD1 LEU 10 1HD1 LEU 10 -0.294 -0.592 -1.561 67 3HD1 LEU 10 2HD1 LEU 10 -0.157 0.051 -3.257 68 1HD2 LEU 10 2HD2 LEU 10 2.531 -2.575 -3.258 69 2HD2 LEU 10 1HD2 LEU 10 2.179 -0.813 -3.355 70 3HD2 LEU 10 3HD2 LEU 10 2.091 -1.671 -1.782 71 1HN NH2 11 1HN NH2 11 -1.021 -5.827 -0.486 72 2HN NH2 11 2HN NH2 11 -1.386 -7.371 -1.407 Start of MODEL 7 1 1H ACE 1 1HA ACE 1 4.027 -5.285 3.017 2 2H ACE 1 2HA ACE 1 2.482 -6.150 3.265 3 3H ACE 1 3HA ACE 1 2.476 -4.453 2.704 4 H THR 2 H THR 2 3.492 -5.839 -0.801 5 HA THR 2 HA THR 2 4.792 -3.827 1.048 6 HB THR 2 HB THR 2 5.876 -2.906 -1.089 7 HG1 THR 2 HG1 THR 2 5.743 -4.263 -2.890 8 1HG2 THR 2 3HG2 THR 2 7.212 -4.510 0.273 9 2HG2 THR 2 2HG2 THR 2 6.492 -5.880 -0.615 10 3HG2 THR 2 1HG2 THR 2 7.527 -4.706 -1.472 11 H LYS 3 H LYS 3 3.807 -1.963 1.425 12 HA LYS 3 HA LYS 3 1.360 -1.079 -0.052 13 1HB LYS 3 1HB LYS 3 1.834 -1.314 2.590 14 2HB LYS 3 2HB LYS 3 2.576 0.283 2.212 15 1HG LYS 3 1HG LYS 3 0.495 1.268 1.689 16 2HG LYS 3 2HG LYS 3 -0.247 -0.347 1.738 17 1HD LYS 3 1HD LYS 3 -0.964 0.934 3.665 18 2HD LYS 3 2HD LYS 3 -0.176 -0.577 4.030 19 1HE LYS 3 1HE LYS 3 0.406 0.986 5.764 20 2HE LYS 3 2HE LYS 3 1.873 0.687 4.835 21 1HZ LYS 3 3HZ LYS 3 0.132 3.092 4.571 22 2HZ LYS 3 1HZ LYS 3 1.597 3.032 5.331 23 3HZ LYS 3 2HZ LYS 3 1.506 2.821 3.695 24 H SER 4 H SER 4 1.190 1.217 -0.403 25 HA SER 4 HA SER 4 3.636 2.701 -1.467 26 1HB SER 4 1HB SER 4 1.207 1.896 -3.149 27 2HB SER 4 2HB SER 4 2.263 3.274 -3.538 28 HG SER 4 HG SER 4 3.081 0.600 -3.060 29 H ALA 5 H ALA 5 3.280 4.971 -1.708 30 HA ALA 5 HA ALA 5 2.511 6.228 0.605 31 1HB ALA 5 2HB ALA 5 3.948 7.226 -1.166 32 2HB ALA 5 1HB ALA 5 2.525 7.483 -2.215 33 3HB ALA 5 3HB ALA 5 2.690 8.387 -0.686 34 H GLY 6 H GLY 6 0.836 7.362 1.488 35 1HA GLY 6 2HA GLY 6 -1.467 7.967 1.907 36 2HA GLY 6 1HA GLY 6 -1.912 7.528 0.271 37 H GLY 7 H GLY 7 -0.205 4.841 1.606 38 1HA GLY 7 2HA GLY 7 -0.730 2.949 2.639 39 2HA GLY 7 1HA GLY 7 -2.235 3.635 3.262 40 H ILE 8 H ILE 8 -0.884 2.736 0.144 41 HA ILE 8 HA ILE 8 -3.265 1.808 -1.024 42 HB ILE 8 HB ILE 8 -0.439 2.334 -1.942 43 1HG1 ILE 8 2HG1 ILE 8 -1.624 4.244 -1.066 44 2HG1 ILE 8 1HG1 ILE 8 -0.956 4.411 -2.610 45 1HG2 ILE 8 3HG2 ILE 8 -1.474 0.674 -3.556 46 2HG2 ILE 8 2HG2 ILE 8 -2.784 1.837 -3.859 47 3HG2 ILE 8 1HG2 ILE 8 -1.106 2.248 -4.304 48 1HD1 ILE 8 2HD1 ILE 8 -3.876 4.024 -1.712 49 2HD1 ILE 8 3HD1 ILE 8 -3.141 5.597 -2.209 50 3HD1 ILE 8 1HD1 ILE 8 -3.436 4.277 -3.435 51 H VAL 9 H VAL 9 -3.251 0.173 0.316 52 HA VAL 9 HA VAL 9 -1.572 -1.937 0.857 53 HB VAL 9 HB VAL 9 -3.191 -0.792 2.401 54 1HG1 VAL 9 3HG2 VAL 9 -5.341 -1.253 1.279 55 2HG1 VAL 9 2HG2 VAL 9 -5.187 -2.984 1.665 56 3HG1 VAL 9 1HG2 VAL 9 -5.350 -1.772 2.991 57 1HG2 VAL 9 3HG1 VAL 9 -1.621 -2.540 3.134 58 2HG2 VAL 9 1HG1 VAL 9 -3.126 -2.659 4.060 59 3HG2 VAL 9 2HG1 VAL 9 -2.781 -3.812 2.721 60 H LEU 10 H LEU 10 -1.442 -2.255 -1.260 61 HA LEU 10 HA LEU 10 -2.686 -3.722 -2.981 62 1HB LEU 10 1HB LEU 10 0.300 -3.630 -2.383 63 2HB LEU 10 2HB LEU 10 -0.281 -4.191 -3.918 64 HG LEU 10 HG LEU 10 -1.377 -1.507 -3.046 65 1HD1 LEU 10 3HD2 LEU 10 1.003 -1.294 -2.416 66 2HD1 LEU 10 2HD2 LEU 10 1.496 -1.729 -4.076 67 3HD1 LEU 10 1HD2 LEU 10 0.588 -0.198 -3.740 68 1HD2 LEU 10 1HD1 LEU 10 -2.235 -2.367 -5.033 69 2HD2 LEU 10 2HD1 LEU 10 -1.408 -0.808 -5.269 70 3HD2 LEU 10 3HD1 LEU 10 -0.600 -2.351 -5.795 71 1HN NH2 11 1HN NH2 11 -2.363 -7.350 -2.740 72 2HN NH2 11 2HN NH2 11 -2.963 -5.886 -3.668 Start of MODEL 8 1 1H ACE 1 1HA ACE 1 3.525 -7.655 0.203 2 2H ACE 1 2HA ACE 1 2.594 -7.476 1.719 3 3H ACE 1 3HA ACE 1 1.934 -6.840 0.184 4 H THR 2 H THR 2 3.680 -5.467 -0.960 5 HA THR 2 HA THR 2 5.094 -3.500 0.910 6 HB THR 2 HB THR 2 5.994 -2.437 -1.221 7 HG1 THR 2 HG1 THR 2 5.804 -3.689 -3.091 8 1HG2 THR 2 2HG2 THR 2 7.477 -4.057 -0.045 9 2HG2 THR 2 1HG2 THR 2 6.758 -5.402 -0.970 10 3HG2 THR 2 3HG2 THR 2 7.687 -4.135 -1.815 11 H LYS 3 H LYS 3 4.069 -1.709 1.424 12 HA LYS 3 HA LYS 3 1.403 -0.934 0.340 13 1HB LYS 3 1HB LYS 3 2.286 -1.029 2.852 14 2HB LYS 3 2HB LYS 3 3.021 0.511 2.323 15 1HG LYS 3 1HG LYS 3 0.730 1.383 1.913 16 2HG LYS 3 2HG LYS 3 0.072 -0.147 2.458 17 1HD LYS 3 1HD LYS 3 1.645 1.788 4.223 18 2HD LYS 3 2HD LYS 3 -0.106 1.698 3.985 19 1HE LYS 3 1HE LYS 3 -0.250 -0.534 5.041 20 2HE LYS 3 2HE LYS 3 1.507 -0.566 5.273 21 1HZ LYS 3 1HZ LYS 3 1.301 1.428 6.670 22 2HZ LYS 3 2HZ LYS 3 -0.337 1.460 6.455 23 3HZ LYS 3 3HZ LYS 3 0.366 0.205 7.268 24 H SER 4 H SER 4 1.135 1.403 0.188 25 HA SER 4 HA SER 4 3.036 2.809 -1.802 26 1HB SER 4 2HB SER 4 1.022 2.122 -3.006 27 2HB SER 4 1HB SER 4 -0.048 2.883 -1.807 28 HG SER 4 HG SER 4 1.923 4.170 -3.393 29 H ALA 5 H ALA 5 2.988 5.203 -1.676 30 HA ALA 5 HA ALA 5 2.745 6.387 1.051 31 1HB ALA 5 2HB ALA 5 4.515 7.134 -0.525 32 2HB ALA 5 1HB ALA 5 3.283 7.639 -1.714 33 3HB ALA 5 3HB ALA 5 3.415 8.490 -0.151 34 H GLY 6 H GLY 6 0.831 7.067 1.801 35 1HA GLY 6 1HA GLY 6 -1.586 7.707 1.684 36 2HA GLY 6 2HA GLY 6 -1.640 7.158 -0.004 37 H GLY 7 H GLY 7 -1.090 4.789 -0.338 38 1HA GLY 7 2HA GLY 7 -0.316 2.826 0.421 39 2HA GLY 7 1HA GLY 7 -1.014 3.035 2.027 40 H ILE 8 H ILE 8 -2.393 2.705 -1.333 41 HA ILE 8 HA ILE 8 -4.523 1.517 -0.751 42 HB ILE 8 HB ILE 8 -2.780 1.852 -3.277 43 1HG1 ILE 8 1HG1 ILE 8 -4.113 3.762 -3.799 44 2HG1 ILE 8 2HG1 ILE 8 -5.361 3.362 -2.569 45 1HG2 ILE 8 3HG2 ILE 8 -4.330 0.026 -3.935 46 2HG2 ILE 8 1HG2 ILE 8 -5.730 1.000 -3.439 47 3HG2 ILE 8 2HG2 ILE 8 -4.697 1.505 -4.809 48 1HD1 ILE 8 3HD1 ILE 8 -2.690 4.561 -1.950 49 2HD1 ILE 8 2HD1 ILE 8 -4.304 5.410 -2.010 50 3HD1 ILE 8 1HD1 ILE 8 -3.980 4.111 -0.821 51 H VAL 9 H VAL 9 -3.370 0.121 0.578 52 HA VAL 9 HA VAL 9 -1.762 -1.578 0.855 53 HB VAL 9 HB VAL 9 -4.353 -1.340 2.282 54 1HG1 VAL 9 3HG1 VAL 9 -4.332 -3.848 2.351 55 2HG1 VAL 9 2HG1 VAL 9 -2.729 -3.822 3.109 56 3HG1 VAL 9 1HG1 VAL 9 -4.151 -3.142 3.972 57 1HG2 VAL 9 3HG2 VAL 9 -2.337 -0.001 2.832 58 2HG2 VAL 9 2HG2 VAL 9 -2.966 -0.855 4.252 59 3HG2 VAL 9 1HG2 VAL 9 -1.507 -1.457 3.400 60 H LEU 10 H LEU 10 -1.473 -2.170 -1.014 61 HA LEU 10 HA LEU 10 -2.336 -3.856 -2.725 62 1HB LEU 10 1HB LEU 10 0.541 -3.409 -1.830 63 2HB LEU 10 2HB LEU 10 0.195 -4.097 -3.378 64 HG LEU 10 HG LEU 10 -1.274 -1.523 -2.813 65 1HD1 LEU 10 3HD2 LEU 10 0.834 -0.926 -1.832 66 2HD1 LEU 10 1HD2 LEU 10 1.702 -1.353 -3.335 67 3HD1 LEU 10 2HD2 LEU 10 0.523 0.013 -3.299 68 1HD2 LEU 10 3HD1 LEU 10 -1.739 -2.572 -4.846 69 2HD2 LEU 10 1HD1 LEU 10 -1.082 -0.932 -5.056 70 3HD2 LEU 10 2HD1 LEU 10 -0.025 -2.376 -5.373 71 1HN NH2 11 1HN NH2 11 -2.278 -6.068 -3.334 72 2HN NH2 11 2HN NH2 11 -1.635 -7.413 -2.264 Start of MODEL 9 1 1H ACE 1 1HA ACE 1 5.674 -6.173 2.160 2 2H ACE 1 2HA ACE 1 4.241 -6.704 1.232 3 3H ACE 1 3HA ACE 1 4.381 -7.105 2.969 4 H THR 2 H THR 2 4.664 -4.275 0.894 5 HA THR 2 HA THR 2 2.423 -2.767 2.216 6 HB THR 2 HB THR 2 3.832 -0.650 2.605 7 HG1 THR 2 HG1 THR 2 5.608 -1.411 1.399 8 1HG2 THR 2 1HG2 THR 2 3.156 -1.956 4.616 9 2HG2 THR 2 2HG2 THR 2 4.620 -2.966 4.464 10 3HG2 THR 2 3HG2 THR 2 4.771 -1.223 4.816 11 H LYS 3 H LYS 3 1.409 -1.722 0.594 12 HA LYS 3 HA LYS 3 2.460 -1.256 -2.036 13 1HB LYS 3 1HB LYS 3 0.193 -1.701 -1.572 14 2HB LYS 3 2HB LYS 3 0.080 -0.099 -0.877 15 1HG LYS 3 2HG LYS 3 -0.991 -0.193 -2.905 16 2HG LYS 3 1HG LYS 3 0.350 0.839 -3.245 17 1HD LYS 3 2HD LYS 3 -0.166 -2.028 -4.114 18 2HD LYS 3 1HD LYS 3 -0.366 -0.557 -5.053 19 1HE LYS 3 1HE LYS 3 2.193 -0.202 -4.955 20 2HE LYS 3 2HE LYS 3 2.328 -1.793 -4.185 21 1HZ LYS 3 2HZ LYS 3 1.263 -2.781 -6.140 22 2HZ LYS 3 1HZ LYS 3 1.135 -1.306 -6.871 23 3HZ LYS 3 3HZ LYS 3 2.625 -1.956 -6.580 24 H SER 4 H SER 4 1.907 1.138 -2.584 25 HA SER 4 HA SER 4 2.272 3.660 -2.580 26 1HB SER 4 2HB SER 4 0.286 2.270 -0.748 27 2HB SER 4 1HB SER 4 0.293 4.017 -0.826 28 HG SER 4 HG SER 4 -1.025 3.110 -2.389 29 H ALA 5 H ALA 5 3.038 5.534 -1.673 30 HA ALA 5 HA ALA 5 3.138 5.800 1.352 31 1HB ALA 5 2HB ALA 5 4.895 6.983 0.043 32 2HB ALA 5 3HB ALA 5 3.645 7.791 -0.946 33 3HB ALA 5 1HB ALA 5 3.768 8.148 0.796 34 H GLY 6 H GLY 6 0.990 5.180 1.670 35 1HA GLY 6 2HA GLY 6 -1.234 5.885 2.288 36 2HA GLY 6 1HA GLY 6 -1.130 7.256 1.200 37 H GLY 7 H GLY 7 -1.444 3.676 1.115 38 1HA GLY 7 1HA GLY 7 -3.321 3.794 -1.214 39 2HA GLY 7 2HA GLY 7 -2.048 2.577 -0.872 40 H ILE 8 H ILE 8 -2.819 1.669 2.044 41 HA ILE 8 HA ILE 8 -1.477 0.867 0.499 42 HB ILE 8 HB ILE 8 -1.439 2.465 2.454 43 1HG1 ILE 8 1HG1 ILE 8 0.215 1.450 3.775 44 2HG1 ILE 8 2HG1 ILE 8 -0.018 -0.066 2.843 45 1HG2 ILE 8 3HG2 ILE 8 -3.286 1.519 3.884 46 2HG2 ILE 8 2HG2 ILE 8 -2.242 0.124 4.296 47 3HG2 ILE 8 1HG2 ILE 8 -1.785 1.802 4.782 48 1HD1 ILE 8 1HD1 ILE 8 1.052 2.543 1.673 49 2HD1 ILE 8 2HD1 ILE 8 2.082 1.178 2.244 50 3HD1 ILE 8 3HD1 ILE 8 0.944 0.932 0.895 51 H VAL 9 H VAL 9 -0.513 -0.859 1.121 52 HA VAL 9 HA VAL 9 -0.104 -2.842 -0.040 53 HB VAL 9 HB VAL 9 0.212 -2.887 2.397 54 1HG1 VAL 9 3HG2 VAL 9 -2.082 -3.297 3.229 55 2HG1 VAL 9 2HG2 VAL 9 -2.074 -4.931 2.520 56 3HG1 VAL 9 1HG2 VAL 9 -0.947 -4.522 3.869 57 1HG2 VAL 9 1HG1 VAL 9 1.406 -4.417 0.876 58 2HG2 VAL 9 3HG1 VAL 9 1.085 -5.279 2.391 59 3HG2 VAL 9 2HG1 VAL 9 0.086 -5.593 0.926 60 H LEU 10 H LEU 10 -1.811 -2.155 -1.312 61 HA LEU 10 HA LEU 10 -4.078 -3.149 -1.957 62 1HB LEU 10 2HB LEU 10 -2.353 -1.714 -3.636 63 2HB LEU 10 1HB LEU 10 -4.079 -2.038 -3.872 64 HG LEU 10 HG LEU 10 -2.841 -0.691 -1.500 65 1HD1 LEU 10 2HD1 LEU 10 -2.841 0.595 -3.635 66 2HD1 LEU 10 1HD1 LEU 10 -4.641 0.423 -3.659 67 3HD1 LEU 10 3HD1 LEU 10 -3.796 1.380 -2.325 68 1HD2 LEU 10 1HD2 LEU 10 -5.775 -1.052 -1.786 69 2HD2 LEU 10 2HD2 LEU 10 -4.645 -1.666 -0.538 70 3HD2 LEU 10 3HD2 LEU 10 -4.973 0.077 -0.581 71 1HN NH2 11 1HN NH2 11 -3.733 -6.254 -3.912 72 2HN NH2 11 2HN NH2 11 -4.564 -5.351 -2.547 Start of MODEL 10 1 1H ACE 1 1HA ACE 1 2.587 -6.248 2.734 2 2H ACE 1 2HA ACE 1 4.293 -6.759 2.879 3 3H ACE 1 3HA ACE 1 3.457 -6.030 4.281 4 H THR 2 H THR 2 3.935 -5.323 0.866 5 HA THR 2 HA THR 2 5.162 -2.587 1.455 6 HB THR 2 HB THR 2 5.597 -2.468 -1.052 7 HG1 THR 2 HG1 THR 2 3.982 -3.978 -1.596 8 1HG2 THR 2 2HG2 THR 2 7.473 -3.243 0.388 9 2HG2 THR 2 3HG2 THR 2 6.898 -4.926 0.251 10 3HG2 THR 2 1HG2 THR 2 7.477 -4.061 -1.198 11 H LYS 3 H LYS 3 3.875 -0.860 1.404 12 HA LYS 3 HA LYS 3 1.202 -0.798 0.041 13 1HB LYS 3 1HB LYS 3 2.364 -0.375 2.752 14 2HB LYS 3 2HB LYS 3 1.945 1.127 2.035 15 1HG LYS 3 1HG LYS 3 -0.476 0.063 1.720 16 2HG LYS 3 2HG LYS 3 0.203 -1.307 2.618 17 1HD LYS 3 2HD LYS 3 0.605 -0.076 4.576 18 2HD LYS 3 1HD LYS 3 0.148 1.472 3.856 19 1HE LYS 3 2HE LYS 3 -1.737 0.985 5.111 20 2HE LYS 3 1HE LYS 3 -2.261 0.413 3.536 21 1HZ LYS 3 3HZ LYS 3 -1.199 -1.294 5.745 22 2HZ LYS 3 2HZ LYS 3 -2.781 -1.169 5.287 23 3HZ LYS 3 1HZ LYS 3 -1.679 -1.865 4.272 24 H SER 4 H SER 4 0.536 1.461 -0.422 25 HA SER 4 HA SER 4 2.487 2.821 -2.352 26 1HB SER 4 2HB SER 4 -0.530 3.158 -1.895 27 2HB SER 4 1HB SER 4 0.446 4.109 -3.026 28 HG SER 4 HG SER 4 1.080 2.167 -4.023 29 H ALA 5 H ALA 5 2.610 5.242 -2.297 30 HA ALA 5 HA ALA 5 3.121 6.388 0.389 31 1HB ALA 5 3HB ALA 5 4.493 7.001 -1.575 32 2HB ALA 5 1HB ALA 5 3.062 7.662 -2.412 33 3HB ALA 5 2HB ALA 5 3.671 8.448 -0.931 34 H GLY 6 H GLY 6 1.297 6.450 1.533 35 1HA GLY 6 1HA GLY 6 -1.077 7.585 1.837 36 2HA GLY 6 2HA GLY 6 -1.387 6.903 0.220 37 H GLY 7 H GLY 7 -0.683 4.485 0.082 38 1HA GLY 7 1HA GLY 7 -0.052 2.570 1.126 39 2HA GLY 7 2HA GLY 7 -1.004 2.926 2.571 40 H ILE 8 H ILE 8 -1.531 2.235 -0.916 41 HA ILE 8 HA ILE 8 -4.167 1.449 -0.441 42 HB ILE 8 HB ILE 8 -2.420 1.862 -2.901 43 1HG1 ILE 8 2HG1 ILE 8 -2.621 3.764 -1.465 44 2HG1 ILE 8 1HG1 ILE 8 -3.072 4.029 -3.074 45 1HG2 ILE 8 3HG2 ILE 8 -4.339 0.490 -3.762 46 2HG2 ILE 8 1HG2 ILE 8 -5.480 1.663 -3.060 47 3HG2 ILE 8 2HG2 ILE 8 -4.391 2.138 -4.391 48 1HD1 ILE 8 2HD1 ILE 8 -4.732 3.752 -0.501 49 2HD1 ILE 8 1HD1 ILE 8 -4.322 5.307 -1.314 50 3HD1 ILE 8 3HD1 ILE 8 -5.498 4.139 -2.084 51 H VAL 9 H VAL 9 -2.874 -0.248 0.620 52 HA VAL 9 HA VAL 9 -1.664 -2.119 0.555 53 HB VAL 9 HB VAL 9 -3.065 -1.707 2.503 54 1HG1 VAL 9 2HG2 VAL 9 -5.300 -2.464 1.715 55 2HG1 VAL 9 1HG2 VAL 9 -4.739 -4.154 1.713 56 3HG1 VAL 9 3HG2 VAL 9 -4.843 -3.235 3.262 57 1HG2 VAL 9 3HG1 VAL 9 -1.092 -3.165 2.587 58 2HG2 VAL 9 1HG1 VAL 9 -2.313 -3.733 3.739 59 3HG2 VAL 9 2HG1 VAL 9 -2.065 -4.584 2.171 60 H LEU 10 H LEU 10 -1.324 -2.391 -1.486 61 HA LEU 10 HA LEU 10 -1.966 -3.900 -3.504 62 1HB LEU 10 1HB LEU 10 0.518 -3.666 -1.717 63 2HB LEU 10 2HB LEU 10 0.561 -4.273 -3.335 64 HG LEU 10 HG LEU 10 -0.112 -2.456 -4.339 65 1HD1 LEU 10 3HD1 LEU 10 -1.762 -1.269 -3.469 66 2HD1 LEU 10 2HD1 LEU 10 -0.762 -0.555 -2.173 67 3HD1 LEU 10 1HD1 LEU 10 -0.502 -0.122 -3.919 68 1HD2 LEU 10 3HD2 LEU 10 2.364 -2.490 -3.355 69 2HD2 LEU 10 2HD2 LEU 10 1.891 -0.792 -3.710 70 3HD2 LEU 10 1HD2 LEU 10 1.730 -1.452 -2.053 71 1HN NH2 11 1HN NH2 11 -1.590 -7.524 -3.162 72 2HN NH2 11 2HN NH2 11 -1.703 -6.066 -4.270 Start of MODEL 11 1 1H ACE 1 1HA ACE 1 4.287 -7.710 0.365 2 2H ACE 1 2HA ACE 1 2.812 -7.681 -0.643 3 3H ACE 1 3HA ACE 1 2.746 -7.120 1.053 4 H THR 2 H THR 2 4.536 -5.477 1.484 5 HA THR 2 HA THR 2 5.304 -3.290 1.413 6 HB THR 2 HB THR 2 6.107 -2.192 -0.741 7 HG1 THR 2 HG1 THR 2 4.591 -3.270 -2.052 8 1HG2 THR 2 1HG2 THR 2 7.209 -5.039 -0.386 9 2HG2 THR 2 2HG2 THR 2 7.996 -3.697 -1.261 10 3HG2 THR 2 3HG2 THR 2 7.754 -3.591 0.503 11 H LYS 3 H LYS 3 4.245 -1.467 1.752 12 HA LYS 3 HA LYS 3 1.516 -0.959 0.598 13 1HB LYS 3 1HB LYS 3 2.395 -0.892 3.157 14 2HB LYS 3 2HB LYS 3 2.965 0.683 2.553 15 1HG LYS 3 1HG LYS 3 0.546 1.255 2.025 16 2HG LYS 3 2HG LYS 3 0.139 -0.312 2.697 17 1HD LYS 3 2HD LYS 3 -0.399 1.052 4.433 18 2HD LYS 3 1HD LYS 3 1.148 0.427 4.958 19 1HE LYS 3 2HE LYS 3 2.236 2.631 4.227 20 2HE LYS 3 1HE LYS 3 0.643 3.230 3.735 21 1HZ LYS 3 2HZ LYS 3 1.373 2.373 6.499 22 2HZ LYS 3 3HZ LYS 3 1.198 3.934 5.988 23 3HZ LYS 3 1HZ LYS 3 -0.113 2.930 6.042 24 H SER 4 H SER 4 1.109 1.392 0.346 25 HA SER 4 HA SER 4 2.932 2.609 -1.838 26 1HB SER 4 1HB SER 4 0.903 1.688 -2.850 27 2HB SER 4 2HB SER 4 -0.153 2.582 -1.737 28 HG SER 4 HG SER 4 0.140 3.630 -3.717 29 H ALA 5 H ALA 5 2.754 5.009 -2.039 30 HA ALA 5 HA ALA 5 2.810 6.470 0.547 31 1HB ALA 5 2HB ALA 5 4.340 7.058 -1.317 32 2HB ALA 5 3HB ALA 5 2.954 7.441 -2.374 33 3HB ALA 5 1HB ALA 5 3.281 8.444 -0.935 34 H GLY 6 H GLY 6 0.999 7.175 1.489 35 1HA GLY 6 2HA GLY 6 -1.412 7.766 1.682 36 2HA GLY 6 1HA GLY 6 -1.692 7.173 0.033 37 H GLY 7 H GLY 7 -1.111 4.793 -0.296 38 1HA GLY 7 2HA GLY 7 -0.302 2.844 0.467 39 2HA GLY 7 1HA GLY 7 -0.914 3.087 2.099 40 H ILE 8 H ILE 8 -2.508 2.729 -1.172 41 HA ILE 8 HA ILE 8 -4.579 1.546 -0.359 42 HB ILE 8 HB ILE 8 -3.080 1.962 -3.041 43 1HG1 ILE 8 1HG1 ILE 8 -4.491 3.867 -3.397 44 2HG1 ILE 8 2HG1 ILE 8 -5.600 3.413 -2.054 45 1HG2 ILE 8 2HG2 ILE 8 -4.625 0.161 -3.680 46 2HG2 ILE 8 1HG2 ILE 8 -6.011 1.071 -3.035 47 3HG2 ILE 8 3HG2 ILE 8 -5.087 1.668 -4.448 48 1HD1 ILE 8 3HD1 ILE 8 -2.873 4.590 -1.686 49 2HD1 ILE 8 2HD1 ILE 8 -4.470 5.465 -1.567 50 3HD1 ILE 8 1HD1 ILE 8 -4.047 4.133 -0.447 51 H VAL 9 H VAL 9 -3.056 0.104 0.711 52 HA VAL 9 HA VAL 9 -1.645 -1.628 0.795 53 HB VAL 9 HB VAL 9 -3.041 -1.167 2.754 54 1HG1 VAL 9 1HG1 VAL 9 -5.169 -2.314 2.155 55 2HG1 VAL 9 3HG1 VAL 9 -4.371 -3.898 2.309 56 3HG1 VAL 9 2HG1 VAL 9 -4.561 -2.834 3.753 57 1HG2 VAL 9 1HG2 VAL 9 -0.880 -2.319 2.903 58 2HG2 VAL 9 2HG2 VAL 9 -1.972 -2.908 4.167 59 3HG2 VAL 9 3HG2 VAL 9 -1.655 -3.896 2.696 60 H LEU 10 H LEU 10 -1.344 -2.034 -1.201 61 HA LEU 10 HA LEU 10 -1.972 -3.591 -3.137 62 1HB LEU 10 1HB LEU 10 0.591 -3.258 -1.498 63 2HB LEU 10 2HB LEU 10 0.549 -3.844 -3.130 64 HG LEU 10 HG LEU 10 -0.300 -2.009 -4.050 65 1HD1 LEU 10 3HD1 LEU 10 -1.885 -0.916 -2.906 66 2HD1 LEU 10 2HD1 LEU 10 -0.755 -0.205 -1.734 67 3HD1 LEU 10 1HD1 LEU 10 -0.732 0.293 -3.483 68 1HD2 LEU 10 2HD2 LEU 10 2.252 -2.001 -3.326 69 2HD2 LEU 10 1HD2 LEU 10 1.700 -0.306 -3.550 70 3HD2 LEU 10 3HD2 LEU 10 1.735 -1.042 -1.911 71 1HN NH2 11 1HN NH2 11 -0.804 -5.361 -0.140 72 2HN NH2 11 2HN NH2 11 -1.036 -7.016 -0.898 Start of MODEL 12 1 1H ACE 1 1HA ACE 1 1.819 -5.883 1.253 2 2H ACE 1 2HA ACE 1 1.124 -4.694 0.113 3 3H ACE 1 3HA ACE 1 0.848 -6.442 -0.139 4 H THR 2 H THR 2 4.713 -5.268 -1.290 5 HA THR 2 HA THR 2 3.697 -4.084 1.297 6 HB THR 2 HB THR 2 5.906 -2.788 1.312 7 HG1 THR 2 HG1 THR 2 6.210 -2.929 -0.940 8 1HG2 THR 2 1HG2 THR 2 5.829 -4.913 2.607 9 2HG2 THR 2 2HG2 THR 2 6.316 -5.829 1.155 10 3HG2 THR 2 3HG2 THR 2 7.436 -4.645 1.881 11 H LYS 3 H LYS 3 2.532 -2.262 1.246 12 HA LYS 3 HA LYS 3 1.614 -1.071 -0.889 13 1HB LYS 3 2HB LYS 3 0.234 -0.502 0.667 14 2HB LYS 3 1HB LYS 3 0.973 -1.528 1.706 15 1HG LYS 3 1HG LYS 3 1.330 1.505 1.782 16 2HG LYS 3 2HG LYS 3 0.211 0.484 2.726 17 1HD LYS 3 2HD LYS 3 1.885 -0.656 3.886 18 2HD LYS 3 1HD LYS 3 3.223 0.111 2.994 19 1HE LYS 3 1HE LYS 3 2.546 2.361 3.969 20 2HE LYS 3 2HE LYS 3 1.247 1.571 4.885 21 1HZ LYS 3 2HZ LYS 3 4.150 0.941 5.145 22 2HZ LYS 3 3HZ LYS 3 3.248 1.810 6.222 23 3HZ LYS 3 1HZ LYS 3 2.938 0.204 5.993 24 H SER 4 H SER 4 1.294 1.194 -1.290 25 HA SER 4 HA SER 4 3.864 2.883 -1.468 26 1HB SER 4 1HB SER 4 1.500 2.700 -3.420 27 2HB SER 4 2HB SER 4 2.809 3.891 -3.490 28 HG SER 4 HG SER 4 4.286 2.158 -3.588 29 H ALA 5 H ALA 5 3.550 5.183 -1.258 30 HA ALA 5 HA ALA 5 2.474 5.993 1.159 31 1HB ALA 5 2HB ALA 5 4.156 7.266 -0.165 32 2HB ALA 5 3HB ALA 5 2.902 7.752 -1.340 33 3HB ALA 5 1HB ALA 5 2.839 8.349 0.338 34 H GLY 6 H GLY 6 0.671 6.975 1.985 35 1HA GLY 6 2HA GLY 6 -1.652 7.688 2.075 36 2HA GLY 6 1HA GLY 6 -1.863 7.356 0.370 37 H GLY 7 H GLY 7 -0.427 4.520 1.631 38 1HA GLY 7 1HA GLY 7 -1.126 2.610 2.609 39 2HA GLY 7 2HA GLY 7 -2.727 3.292 2.957 40 H ILE 8 H ILE 8 -1.469 3.181 -0.450 41 HA ILE 8 HA ILE 8 -3.152 1.714 -1.516 42 HB ILE 8 HB ILE 8 -0.318 2.721 -2.153 43 1HG1 ILE 8 1HG1 ILE 8 -1.349 4.476 -3.362 44 2HG1 ILE 8 2HG1 ILE 8 -2.960 3.681 -3.358 45 1HG2 ILE 8 1HG2 ILE 8 -0.597 0.810 -3.715 46 2HG2 ILE 8 3HG2 ILE 8 -2.117 1.501 -4.327 47 3HG2 ILE 8 2HG2 ILE 8 -0.563 2.353 -4.577 48 1HD1 ILE 8 1HD1 ILE 8 -1.788 5.139 -1.025 49 2HD1 ILE 8 2HD1 ILE 8 -3.082 5.713 -2.167 50 3HD1 ILE 8 3HD1 ILE 8 -3.348 4.290 -1.118 51 H VAL 9 H VAL 9 -3.135 0.144 -0.084 52 HA VAL 9 HA VAL 9 -1.311 -2.064 0.192 53 HB VAL 9 HB VAL 9 -2.013 -0.420 1.957 54 1HG1 VAL 9 1HG1 VAL 9 -4.446 -0.428 1.709 55 2HG1 VAL 9 3HG1 VAL 9 -4.540 -2.087 2.340 56 3HG1 VAL 9 2HG1 VAL 9 -3.961 -0.743 3.401 57 1HG2 VAL 9 3HG2 VAL 9 -0.721 -2.571 2.460 58 2HG2 VAL 9 1HG2 VAL 9 -1.685 -2.014 3.835 59 3HG2 VAL 9 2HG2 VAL 9 -2.238 -3.379 2.800 60 H LEU 10 H LEU 10 -2.149 -2.550 -1.812 61 HA LEU 10 HA LEU 10 -3.025 -4.701 -3.003 62 1HB LEU 10 2HB LEU 10 -0.430 -3.683 -1.731 63 2HB LEU 10 1HB LEU 10 -0.464 -4.954 -2.909 64 HG LEU 10 HG LEU 10 -1.290 -3.787 -4.536 65 1HD1 LEU 10 1HD1 LEU 10 -2.974 -2.338 -4.046 66 2HD1 LEU 10 3HD1 LEU 10 -1.851 -1.051 -3.573 67 3HD1 LEU 10 2HD1 LEU 10 -1.855 -1.659 -5.258 68 1HD2 LEU 10 1HD2 LEU 10 1.243 -3.325 -3.872 69 2HD2 LEU 10 2HD2 LEU 10 0.658 -1.963 -4.885 70 3HD2 LEU 10 3HD2 LEU 10 0.644 -1.836 -3.097 71 1HN NH2 11 1HN NH2 11 -2.743 -6.968 -2.858 72 2HN NH2 11 2HN NH2 11 -2.486 -7.853 -1.272 Start of MODEL 13 1 1H ACE 1 1HA ACE 1 2.910 -2.614 3.986 2 2H ACE 1 2HA ACE 1 4.625 -3.001 4.310 3 3H ACE 1 3HA ACE 1 3.331 -3.886 5.169 4 H THR 2 H THR 2 3.830 -5.216 1.216 5 HA THR 2 HA THR 2 4.959 -2.485 1.847 6 HB THR 2 HB THR 2 5.602 -2.425 -0.635 7 HG1 THR 2 HG1 THR 2 4.744 -5.127 -0.482 8 1HG2 THR 2 3HG2 THR 2 7.347 -3.176 0.975 9 2HG2 THR 2 1HG2 THR 2 6.766 -4.858 0.838 10 3HG2 THR 2 2HG2 THR 2 7.472 -4.040 -0.582 11 H LYS 3 H LYS 3 3.715 -0.723 1.639 12 HA LYS 3 HA LYS 3 1.128 -0.695 0.198 13 1HB LYS 3 1HB LYS 3 2.446 0.064 2.832 14 2HB LYS 3 2HB LYS 3 1.718 1.372 2.026 15 1HG LYS 3 1HG LYS 3 -0.487 -0.064 1.965 16 2HG LYS 3 2HG LYS 3 0.472 -1.270 2.858 17 1HD LYS 3 2HD LYS 3 0.767 0.060 4.758 18 2HD LYS 3 1HD LYS 3 0.047 1.513 4.041 19 1HE LYS 3 2HE LYS 3 -2.187 0.287 3.916 20 2HE LYS 3 1HE LYS 3 -1.442 -1.130 4.681 21 1HZ LYS 3 1HZ LYS 3 -1.600 1.588 5.899 22 2HZ LYS 3 2HZ LYS 3 -2.528 0.286 6.315 23 3HZ LYS 3 3HZ LYS 3 -0.903 0.268 6.609 24 H SER 4 H SER 4 0.462 1.445 -0.520 25 HA SER 4 HA SER 4 2.432 2.766 -2.436 26 1HB SER 4 1HB SER 4 -0.572 3.180 -1.966 27 2HB SER 4 2HB SER 4 0.401 4.017 -3.181 28 HG SER 4 HG SER 4 0.937 1.989 -4.063 29 H ALA 5 H ALA 5 2.513 5.209 -2.483 30 HA ALA 5 HA ALA 5 3.113 6.452 0.129 31 1HB ALA 5 2HB ALA 5 4.329 7.061 -1.934 32 2HB ALA 5 3HB ALA 5 2.824 7.655 -2.688 33 3HB ALA 5 1HB ALA 5 3.503 8.495 -1.269 34 H GLY 6 H GLY 6 1.349 6.415 1.380 35 1HA GLY 6 2HA GLY 6 -0.998 7.562 1.844 36 2HA GLY 6 1HA GLY 6 -1.421 6.861 0.261 37 H GLY 7 H GLY 7 -0.770 4.450 0.099 38 1HA GLY 7 2HA GLY 7 0.017 2.593 1.187 39 2HA GLY 7 1HA GLY 7 -0.981 2.903 2.619 40 H ILE 8 H ILE 8 -1.440 2.242 -0.885 41 HA ILE 8 HA ILE 8 -4.051 1.341 -0.494 42 HB ILE 8 HB ILE 8 -2.211 1.768 -2.890 43 1HG1 ILE 8 2HG1 ILE 8 -2.679 3.706 -1.508 44 2HG1 ILE 8 1HG1 ILE 8 -2.992 3.867 -3.165 45 1HG2 ILE 8 2HG2 ILE 8 -3.932 0.199 -3.795 46 2HG2 ILE 8 1HG2 ILE 8 -5.219 1.285 -3.216 47 3HG2 ILE 8 3HG2 ILE 8 -4.095 1.813 -4.495 48 1HD1 ILE 8 3HD1 ILE 8 -4.896 3.539 -0.770 49 2HD1 ILE 8 1HD1 ILE 8 -4.532 5.094 -1.607 50 3HD1 ILE 8 2HD1 ILE 8 -5.504 3.795 -2.442 51 H VAL 9 H VAL 9 -2.866 -0.223 0.739 52 HA VAL 9 HA VAL 9 -1.608 -2.115 0.916 53 HB VAL 9 HB VAL 9 -3.240 -1.559 2.661 54 1HG1 VAL 9 3HG1 VAL 9 -5.356 -2.409 1.668 55 2HG1 VAL 9 2HG1 VAL 9 -4.785 -4.084 1.866 56 3HG1 VAL 9 1HG1 VAL 9 -5.079 -3.050 3.314 57 1HG2 VAL 9 3HG2 VAL 9 -1.276 -2.958 3.084 58 2HG2 VAL 9 1HG2 VAL 9 -2.619 -3.469 4.120 59 3HG2 VAL 9 2HG2 VAL 9 -2.173 -4.425 2.661 60 H LEU 10 H LEU 10 -1.204 -2.472 -1.047 61 HA LEU 10 HA LEU 10 -2.288 -3.650 -3.001 62 1HB LEU 10 1HB LEU 10 0.637 -3.753 -2.219 63 2HB LEU 10 2HB LEU 10 0.130 -4.037 -3.858 64 HG LEU 10 HG LEU 10 -0.914 -1.490 -2.607 65 1HD1 LEU 10 2HD2 LEU 10 1.397 -1.487 -1.820 66 2HD1 LEU 10 3HD2 LEU 10 1.978 -1.563 -3.502 67 3HD1 LEU 10 1HD2 LEU 10 1.040 -0.140 -2.896 68 1HD2 LEU 10 1HD1 LEU 10 -1.677 -1.985 -4.785 69 2HD2 LEU 10 2HD1 LEU 10 -0.814 -0.433 -4.694 70 3HD2 LEU 10 3HD1 LEU 10 0.003 -1.879 -5.423 71 1HN NH2 11 1HN NH2 11 -0.377 -5.948 -0.854 72 2HN NH2 11 2HN NH2 11 -1.014 -7.435 -1.719 Start of MODEL 14 1 1H ACE 1 1HA ACE 1 2.086 -7.571 0.515 2 2H ACE 1 2HA ACE 1 1.967 -6.696 -1.039 3 3H ACE 1 3HA ACE 1 3.465 -7.578 -0.622 4 H THR 2 H THR 2 3.910 -5.207 -1.349 5 HA THR 2 HA THR 2 4.757 -3.674 1.151 6 HB THR 2 HB THR 2 6.185 -2.284 -0.441 7 HG1 THR 2 HG1 THR 2 5.392 -4.309 -2.262 8 1HG2 THR 2 2HG2 THR 2 7.306 -4.166 0.742 9 2HG2 THR 2 3HG2 THR 2 6.845 -5.281 -0.573 10 3HG2 THR 2 1HG2 THR 2 7.965 -3.931 -0.899 11 H LYS 3 H LYS 3 3.609 -1.979 1.726 12 HA LYS 3 HA LYS 3 1.407 -0.857 0.252 13 1HB LYS 3 2HB LYS 3 1.216 -1.099 2.394 14 2HB LYS 3 1HB LYS 3 2.735 -0.323 2.982 15 1HG LYS 3 2HG LYS 3 1.659 1.835 2.648 16 2HG LYS 3 1HG LYS 3 0.210 1.037 2.048 17 1HD LYS 3 2HD LYS 3 -0.199 1.807 4.169 18 2HD LYS 3 1HD LYS 3 -0.122 0.055 4.341 19 1HE LYS 3 2HE LYS 3 0.894 0.900 6.324 20 2HE LYS 3 1HE LYS 3 2.273 0.412 5.340 21 1HZ LYS 3 3HZ LYS 3 1.257 3.207 5.633 22 2HZ LYS 3 1HZ LYS 3 2.611 2.589 6.349 23 3HZ LYS 3 2HZ LYS 3 2.555 2.770 4.708 24 H SER 4 H SER 4 1.082 1.219 0.145 25 HA SER 4 HA SER 4 3.058 2.762 -1.726 26 1HB SER 4 2HB SER 4 1.067 2.000 -2.918 27 2HB SER 4 1HB SER 4 -0.026 2.788 -1.762 28 HG SER 4 HG SER 4 0.971 4.769 -2.325 29 H ALA 5 H ALA 5 2.983 5.151 -1.689 30 HA ALA 5 HA ALA 5 2.715 6.429 0.998 31 1HB ALA 5 1HB ALA 5 4.516 7.110 -0.574 32 2HB ALA 5 2HB ALA 5 3.306 7.579 -1.800 33 3HB ALA 5 3HB ALA 5 3.416 8.483 -0.266 34 H GLY 6 H GLY 6 0.789 7.141 1.685 35 1HA GLY 6 1HA GLY 6 -1.629 7.761 1.503 36 2HA GLY 6 2HA GLY 6 -1.648 7.153 -0.166 37 H GLY 7 H GLY 7 -1.063 4.777 -0.406 38 1HA GLY 7 1HA GLY 7 -0.284 2.849 0.440 39 2HA GLY 7 2HA GLY 7 -1.008 3.115 2.022 40 H ILE 8 H ILE 8 -2.344 2.650 -1.346 41 HA ILE 8 HA ILE 8 -4.471 1.465 -0.714 42 HB ILE 8 HB ILE 8 -2.734 1.724 -3.254 43 1HG1 ILE 8 1HG1 ILE 8 -4.083 3.605 -3.842 44 2HG1 ILE 8 2HG1 ILE 8 -5.325 3.237 -2.596 45 1HG2 ILE 8 2HG2 ILE 8 -4.266 -0.130 -3.863 46 2HG2 ILE 8 1HG2 ILE 8 -5.675 0.844 -3.394 47 3HG2 ILE 8 3HG2 ILE 8 -4.647 1.319 -4.778 48 1HD1 ILE 8 1HD1 ILE 8 -2.662 4.473 -2.024 49 2HD1 ILE 8 3HD1 ILE 8 -4.280 5.313 -2.115 50 3HD1 ILE 8 2HD1 ILE 8 -3.951 4.059 -0.879 51 H VAL 9 H VAL 9 -3.199 0.127 0.608 52 HA VAL 9 HA VAL 9 -1.671 -1.500 0.918 53 HB VAL 9 HB VAL 9 -3.169 -0.845 2.743 54 1HG1 VAL 9 2HG1 VAL 9 -5.242 -2.096 2.185 55 2HG1 VAL 9 1HG1 VAL 9 -4.431 -3.631 2.583 56 3HG1 VAL 9 3HG1 VAL 9 -4.705 -2.392 3.865 57 1HG2 VAL 9 3HG2 VAL 9 -0.998 -1.905 3.129 58 2HG2 VAL 9 1HG2 VAL 9 -2.138 -2.374 4.401 59 3HG2 VAL 9 2HG2 VAL 9 -1.724 -3.519 3.075 60 H LEU 10 H LEU 10 -1.381 -2.199 -0.948 61 HA LEU 10 HA LEU 10 -2.308 -3.938 -2.558 62 1HB LEU 10 2HB LEU 10 0.611 -3.483 -1.833 63 2HB LEU 10 1HB LEU 10 0.161 -4.216 -3.337 64 HG LEU 10 HG LEU 10 -1.261 -1.612 -2.765 65 1HD1 LEU 10 2HD2 LEU 10 0.898 -0.995 -1.915 66 2HD1 LEU 10 3HD2 LEU 10 1.686 -1.465 -3.447 67 3HD1 LEU 10 1HD2 LEU 10 0.514 -0.093 -3.387 68 1HD2 LEU 10 3HD1 LEU 10 -1.827 -2.719 -4.744 69 2HD2 LEU 10 2HD1 LEU 10 -1.184 -1.085 -5.031 70 3HD2 LEU 10 1HD1 LEU 10 -0.143 -2.537 -5.363 71 1HN NH2 11 1HN NH2 11 -0.605 -7.126 -0.445 72 2HN NH2 11 2HN NH2 11 -0.181 -5.410 0.049 Start of MODEL 15 1 1H ACE 1 1HA ACE 1 1.842 -6.117 0.922 2 2H ACE 1 2HA ACE 1 0.612 -6.601 -0.282 3 3H ACE 1 3HA ACE 1 0.925 -4.869 0.030 4 H THR 2 H THR 2 4.191 -5.329 -2.072 5 HA THR 2 HA THR 2 3.708 -4.401 0.772 6 HB THR 2 HB THR 2 5.974 -3.237 0.545 7 HG1 THR 2 HG1 THR 2 5.907 -3.157 -1.731 8 1HG2 THR 2 1HG2 THR 2 5.956 -5.479 1.627 9 2HG2 THR 2 3HG2 THR 2 6.143 -6.263 0.035 10 3HG2 THR 2 2HG2 THR 2 7.443 -5.222 0.675 11 H LYS 3 H LYS 3 2.673 -2.521 1.084 12 HA LYS 3 HA LYS 3 1.555 -1.049 -0.746 13 1HB LYS 3 2HB LYS 3 0.444 -0.518 1.105 14 2HB LYS 3 1HB LYS 3 1.283 -1.754 1.864 15 1HG LYS 3 2HG LYS 3 2.883 -0.271 2.799 16 2HG LYS 3 1HG LYS 3 2.036 1.189 2.209 17 1HD LYS 3 2HD LYS 3 1.073 -0.949 4.203 18 2HD LYS 3 1HD LYS 3 1.926 0.492 4.698 19 1HE LYS 3 1HE LYS 3 0.114 1.992 3.913 20 2HE LYS 3 2HE LYS 3 -0.814 0.605 3.326 21 1HZ LYS 3 2HZ LYS 3 -0.879 -0.252 5.614 22 2HZ LYS 3 1HZ LYS 3 -0.012 1.042 6.164 23 3HZ LYS 3 3HZ LYS 3 -1.527 1.266 5.546 24 H SER 4 H SER 4 1.315 1.286 -0.838 25 HA SER 4 HA SER 4 3.932 2.857 -1.167 26 1HB SER 4 2HB SER 4 1.598 2.631 -3.150 27 2HB SER 4 1HB SER 4 2.910 3.819 -3.237 28 HG SER 4 HG SER 4 3.212 0.997 -3.179 29 H ALA 5 H ALA 5 3.628 5.173 -1.044 30 HA ALA 5 HA ALA 5 2.501 6.032 1.338 31 1HB ALA 5 2HB ALA 5 4.237 7.263 0.047 32 2HB ALA 5 1HB ALA 5 3.025 7.750 -1.170 33 3HB ALA 5 3HB ALA 5 2.921 8.371 0.499 34 H GLY 6 H GLY 6 0.657 6.889 2.095 35 1HA GLY 6 1HA GLY 6 -1.625 7.663 2.180 36 2HA GLY 6 2HA GLY 6 -1.725 7.664 0.433 37 H GLY 7 H GLY 7 -0.709 4.637 2.103 38 1HA GLY 7 2HA GLY 7 -1.754 2.778 2.764 39 2HA GLY 7 1HA GLY 7 -3.313 3.625 2.762 40 H ILE 8 H ILE 8 -1.108 2.871 0.114 41 HA ILE 8 HA ILE 8 -3.100 1.728 -1.521 42 HB ILE 8 HB ILE 8 -0.211 2.572 -1.866 43 1HG1 ILE 8 2HG1 ILE 8 -1.774 4.318 -1.238 44 2HG1 ILE 8 1HG1 ILE 8 -0.829 4.596 -2.607 45 1HG2 ILE 8 3HG2 ILE 8 -0.617 0.868 -3.641 46 2HG2 ILE 8 1HG2 ILE 8 -2.055 1.772 -4.186 47 3HG2 ILE 8 2HG2 ILE 8 -0.430 2.495 -4.333 48 1HD1 ILE 8 2HD1 ILE 8 -3.813 3.862 -2.337 49 2HD1 ILE 8 1HD1 ILE 8 -3.180 5.517 -2.668 50 3HD1 ILE 8 3HD1 ILE 8 -3.064 4.208 -3.931 51 H VAL 9 H VAL 9 -3.223 0.113 -0.104 52 HA VAL 9 HA VAL 9 -1.297 -1.958 0.405 53 HB VAL 9 HB VAL 9 -2.367 -0.258 2.032 54 1HG1 VAL 9 1HG2 VAL 9 -4.744 -0.694 1.631 55 2HG1 VAL 9 2HG2 VAL 9 -4.591 -2.309 2.363 56 3HG1 VAL 9 3HG2 VAL 9 -4.317 -0.833 3.364 57 1HG2 VAL 9 1HG1 VAL 9 -0.745 -1.992 2.740 58 2HG2 VAL 9 3HG1 VAL 9 -1.943 -1.738 4.014 59 3HG2 VAL 9 2HG1 VAL 9 -2.041 -3.175 2.933 60 H LEU 10 H LEU 10 -1.962 -2.567 -1.644 61 HA LEU 10 HA LEU 10 -2.638 -4.802 -2.815 62 1HB LEU 10 1HB LEU 10 -0.165 -3.578 -1.481 63 2HB LEU 10 2HB LEU 10 -0.072 -4.870 -2.633 64 HG LEU 10 HG LEU 10 -0.926 -3.792 -4.310 65 1HD1 LEU 10 2HD1 LEU 10 -2.718 -2.453 -3.900 66 2HD1 LEU 10 3HD1 LEU 10 -1.702 -1.087 -3.408 67 3HD1 LEU 10 1HD1 LEU 10 -1.609 -1.713 -5.085 68 1HD2 LEU 10 1HD2 LEU 10 1.547 -3.147 -3.579 69 2HD2 LEU 10 3HD2 LEU 10 0.904 -1.845 -4.634 70 3HD2 LEU 10 2HD2 LEU 10 0.826 -1.690 -2.851 71 1HN NH2 11 1HN NH2 11 -1.935 -7.873 -0.995 72 2HN NH2 11 2HN NH2 11 -2.193 -7.041 -2.610 Start of MODEL 16 1 1H ACE 1 1HA ACE 1 2.784 -4.225 2.526 2 2H ACE 1 2HA ACE 1 2.908 -5.939 3.017 3 3H ACE 1 3HA ACE 1 4.390 -4.979 2.742 4 H THR 2 H THR 2 3.705 -5.409 -1.072 5 HA THR 2 HA THR 2 4.929 -3.364 0.793 6 HB THR 2 HB THR 2 5.831 -2.283 -1.353 7 HG1 THR 2 HG1 THR 2 4.250 -3.215 -2.694 8 1HG2 THR 2 1HG2 THR 2 7.357 -3.818 -0.116 9 2HG2 THR 2 2HG2 THR 2 6.708 -5.210 -1.023 10 3HG2 THR 2 3HG2 THR 2 7.601 -3.926 -1.881 11 H LYS 3 H LYS 3 3.833 -1.595 1.270 12 HA LYS 3 HA LYS 3 1.194 -0.904 0.053 13 1HB LYS 3 1HB LYS 3 1.966 -1.027 2.636 14 2HB LYS 3 2HB LYS 3 2.592 0.575 2.140 15 1HG LYS 3 1HG LYS 3 0.269 1.276 1.592 16 2HG LYS 3 2HG LYS 3 -0.256 -0.326 2.098 17 1HD LYS 3 2HD LYS 3 -0.834 0.926 3.911 18 2HD LYS 3 1HD LYS 3 0.635 0.149 4.461 19 1HE LYS 3 1HE LYS 3 1.908 2.326 4.025 20 2HE LYS 3 2HE LYS 3 0.399 3.085 3.494 21 1HZ LYS 3 3HZ LYS 3 0.871 1.919 6.200 22 2HZ LYS 3 2HZ LYS 3 0.838 3.530 5.836 23 3HZ LYS 3 1HZ LYS 3 -0.539 2.626 5.706 24 H SER 4 H SER 4 0.786 1.449 -0.160 25 HA SER 4 HA SER 4 2.837 2.852 -1.979 26 1HB SER 4 1HB SER 4 1.168 3.569 -3.298 27 2HB SER 4 2HB SER 4 0.151 2.310 -2.631 28 HG SER 4 HG SER 4 0.389 4.990 -1.714 29 H ALA 5 H ALA 5 2.899 5.287 -1.659 30 HA ALA 5 HA ALA 5 3.192 6.079 1.209 31 1HB ALA 5 3HB ALA 5 4.747 6.898 -0.537 32 2HB ALA 5 2HB ALA 5 3.401 7.682 -1.412 33 3HB ALA 5 1HB ALA 5 3.875 8.266 0.204 34 H GLY 6 H GLY 6 1.068 5.528 1.847 35 1HA GLY 6 2HA GLY 6 -1.089 6.198 2.691 36 2HA GLY 6 1HA GLY 6 -1.016 7.681 1.730 37 H GLY 7 H GLY 7 -2.474 4.433 -0.516 38 1HA GLY 7 1HA GLY 7 -0.361 3.372 0.378 39 2HA GLY 7 2HA GLY 7 -1.159 3.640 1.970 40 H ILE 8 H ILE 8 -1.555 2.093 -1.193 41 HA ILE 8 HA ILE 8 -4.167 1.456 -0.645 42 HB ILE 8 HB ILE 8 -2.393 1.237 -3.088 43 1HG1 ILE 8 2HG1 ILE 8 -2.370 3.361 -2.167 44 2HG1 ILE 8 1HG1 ILE 8 -2.941 3.378 -3.760 45 1HG2 ILE 8 3HG2 ILE 8 -4.497 -0.107 -3.600 46 2HG2 ILE 8 1HG2 ILE 8 -5.472 1.328 -3.204 47 3HG2 ILE 8 2HG2 ILE 8 -4.371 1.338 -4.607 48 1HD1 ILE 8 1HD1 ILE 8 -4.336 3.788 -1.058 49 2HD1 ILE 8 3HD1 ILE 8 -3.873 5.094 -2.201 50 3HD1 ILE 8 2HD1 ILE 8 -5.238 3.946 -2.610 51 H VAL 9 H VAL 9 -3.058 -0.007 0.789 52 HA VAL 9 HA VAL 9 -1.682 -1.772 1.076 53 HB VAL 9 HB VAL 9 -3.227 -1.138 2.880 54 1HG1 VAL 9 2HG2 VAL 9 -5.327 -2.262 2.161 55 2HG1 VAL 9 3HG2 VAL 9 -4.598 -3.853 2.490 56 3HG1 VAL 9 1HG2 VAL 9 -4.880 -2.689 3.838 57 1HG2 VAL 9 3HG1 VAL 9 -1.125 -2.320 3.296 58 2HG2 VAL 9 1HG1 VAL 9 -2.342 -2.814 4.486 59 3HG2 VAL 9 2HG1 VAL 9 -1.917 -3.893 3.109 60 H LEU 10 H LEU 10 -1.431 -2.297 -0.891 61 HA LEU 10 HA LEU 10 -2.549 -3.876 -2.556 62 1HB LEU 10 2HB LEU 10 0.425 -3.421 -2.144 63 2HB LEU 10 1HB LEU 10 -0.200 -3.996 -3.658 64 HG LEU 10 HG LEU 10 -1.524 -1.498 -2.603 65 1HD1 LEU 10 1HD2 LEU 10 0.783 -0.982 -2.071 66 2HD1 LEU 10 3HD2 LEU 10 1.243 -1.201 -3.779 67 3HD1 LEU 10 2HD2 LEU 10 0.106 0.114 -3.277 68 1HD2 LEU 10 3HD1 LEU 10 -2.395 -2.396 -4.596 69 2HD2 LEU 10 1HD1 LEU 10 -1.812 -0.727 -4.788 70 3HD2 LEU 10 2HD1 LEU 10 -0.828 -2.107 -5.436 71 1HN NH2 11 1HN NH2 11 -1.721 -7.433 -2.430 72 2HN NH2 11 2HN NH2 11 -2.580 -6.049 -3.276 Start of MODEL 17 1 1H ACE 1 1HA ACE 1 2.996 -7.716 -0.328 2 2H ACE 1 2HA ACE 1 1.392 -7.511 0.433 3 3H ACE 1 3HA ACE 1 1.741 -6.737 -1.140 4 H THR 2 H THR 2 3.891 -5.494 -1.002 5 HA THR 2 HA THR 2 4.201 -3.825 1.538 6 HB THR 2 HB THR 2 6.165 -2.733 0.329 7 HG1 THR 2 HG1 THR 2 5.669 -4.835 -1.510 8 1HG2 THR 2 1HG2 THR 2 6.689 -4.594 1.897 9 2HG2 THR 2 2HG2 THR 2 6.479 -5.778 0.579 10 3HG2 THR 2 3HG2 THR 2 7.796 -4.576 0.498 11 H LYS 3 H LYS 3 3.134 -1.978 1.654 12 HA LYS 3 HA LYS 3 1.491 -0.874 -0.253 13 1HB LYS 3 2HB LYS 3 0.835 -0.553 1.770 14 2HB LYS 3 1HB LYS 3 2.436 -0.216 2.547 15 1HG LYS 3 2HG LYS 3 2.132 2.087 1.758 16 2HG LYS 3 1HG LYS 3 0.537 1.684 1.172 17 1HD LYS 3 2HD LYS 3 0.246 2.746 3.098 18 2HD LYS 3 1HD LYS 3 -0.051 1.102 3.615 19 1HE LYS 3 1HE LYS 3 1.097 2.050 5.465 20 2HE LYS 3 2HE LYS 3 2.367 1.145 4.640 21 1HZ LYS 3 1HZ LYS 3 1.909 4.090 4.411 22 2HZ LYS 3 3HZ LYS 3 3.109 3.361 5.281 23 3HZ LYS 3 2HZ LYS 3 3.107 3.261 3.632 24 H SER 4 H SER 4 1.296 1.153 -0.820 25 HA SER 4 HA SER 4 3.720 2.774 -1.829 26 1HB SER 4 1HB SER 4 2.680 1.798 -3.853 27 2HB SER 4 2HB SER 4 1.125 2.537 -3.434 28 HG SER 4 HG SER 4 2.174 4.563 -3.448 29 H ALA 5 H ALA 5 3.402 5.064 -1.665 30 HA ALA 5 HA ALA 5 2.700 5.842 0.877 31 1HB ALA 5 3HB ALA 5 4.187 7.121 -0.648 32 2HB ALA 5 1HB ALA 5 2.783 7.659 -1.611 33 3HB ALA 5 2HB ALA 5 2.983 8.212 0.074 34 H GLY 6 H GLY 6 1.021 6.560 1.989 35 1HA GLY 6 1HA GLY 6 -1.154 7.391 2.577 36 2HA GLY 6 2HA GLY 6 -1.505 7.713 0.891 37 H GLY 7 H GLY 7 -0.659 4.430 2.255 38 1HA GLY 7 1HA GLY 7 -1.897 2.653 2.873 39 2HA GLY 7 2HA GLY 7 -3.354 3.632 2.885 40 H ILE 8 H ILE 8 -1.202 2.822 0.143 41 HA ILE 8 HA ILE 8 -3.269 1.549 -1.312 42 HB ILE 8 HB ILE 8 -0.420 2.302 -1.897 43 1HG1 ILE 8 2HG1 ILE 8 -1.844 4.158 -1.281 44 2HG1 ILE 8 1HG1 ILE 8 -1.002 4.311 -2.731 45 1HG2 ILE 8 3HG2 ILE 8 -1.193 0.476 -3.520 46 2HG2 ILE 8 2HG2 ILE 8 -2.539 1.527 -4.005 47 3HG2 ILE 8 1HG2 ILE 8 -0.865 2.028 -4.342 48 1HD1 ILE 8 2HD1 ILE 8 -3.964 3.711 -2.154 49 2HD1 ILE 8 1HD1 ILE 8 -3.311 5.324 -2.646 50 3HD1 ILE 8 3HD1 ILE 8 -3.353 3.928 -3.830 51 H VAL 9 H VAL 9 -3.265 0.032 0.262 52 HA VAL 9 HA VAL 9 -1.183 -1.729 1.063 53 HB VAL 9 HB VAL 9 -4.036 -1.268 2.068 54 1HG1 VAL 9 3HG1 VAL 9 -3.568 -3.685 2.640 55 2HG1 VAL 9 2HG1 VAL 9 -2.093 -3.227 3.501 56 3HG1 VAL 9 1HG1 VAL 9 -3.699 -2.710 4.116 57 1HG2 VAL 9 2HG2 VAL 9 -2.294 0.477 2.584 58 2HG2 VAL 9 1HG2 VAL 9 -2.969 -0.211 4.070 59 3HG2 VAL 9 3HG2 VAL 9 -1.345 -0.705 3.488 60 H LEU 10 H LEU 10 -1.241 -2.355 -1.027 61 HA LEU 10 HA LEU 10 -2.649 -3.845 -2.539 62 1HB LEU 10 2HB LEU 10 0.368 -3.910 -2.203 63 2HB LEU 10 1HB LEU 10 -0.390 -4.505 -3.643 64 HG LEU 10 HG LEU 10 -1.270 -1.719 -2.852 65 1HD1 LEU 10 2HD2 LEU 10 1.107 -1.547 -2.337 66 2HD1 LEU 10 1HD2 LEU 10 1.553 -2.161 -3.949 67 3HD1 LEU 10 3HD2 LEU 10 0.747 -0.557 -3.756 68 1HD2 LEU 10 1HD1 LEU 10 -2.275 -2.633 -4.736 69 2HD2 LEU 10 3HD1 LEU 10 -1.385 -1.135 -5.103 70 3HD2 LEU 10 2HD1 LEU 10 -0.687 -2.744 -5.583 71 1HN NH2 11 1HN NH2 11 -1.255 -7.360 -0.742 72 2HN NH2 11 2HN NH2 11 -0.415 -5.780 -0.335 Start of MODEL 18 1 1H ACE 1 1HA ACE 1 3.281 -6.455 -3.551 2 2H ACE 1 2HA ACE 1 3.411 -8.018 -2.694 3 3H ACE 1 3HA ACE 1 4.882 -7.063 -3.039 4 H THR 2 H THR 2 4.565 -4.718 -2.293 5 HA THR 2 HA THR 2 3.368 -4.524 0.512 6 HB THR 2 HB THR 2 6.156 -3.396 -0.102 7 HG1 THR 2 HG1 THR 2 7.002 -5.257 0.905 8 1HG2 THR 2 2HG2 THR 2 5.114 -2.579 2.020 9 2HG2 THR 2 3HG2 THR 2 4.929 -4.261 2.586 10 3HG2 THR 2 1HG2 THR 2 6.558 -3.572 2.352 11 H LYS 3 H LYS 3 2.995 -2.484 1.163 12 HA LYS 3 HA LYS 3 1.527 -0.979 -0.724 13 1HB LYS 3 2HB LYS 3 0.634 -1.197 1.200 14 2HB LYS 3 1HB LYS 3 1.969 -0.913 2.331 15 1HG LYS 3 1HG LYS 3 0.059 0.948 0.957 16 2HG LYS 3 2HG LYS 3 0.012 0.439 2.631 17 1HD LYS 3 1HD LYS 3 2.156 2.270 1.488 18 2HD LYS 3 2HD LYS 3 0.611 2.696 2.221 19 1HE LYS 3 1HE LYS 3 2.766 1.164 3.794 20 2HE LYS 3 2HE LYS 3 2.771 2.923 3.682 21 1HZ LYS 3 2HZ LYS 3 0.564 2.966 4.710 22 2HZ LYS 3 3HZ LYS 3 0.541 1.318 4.828 23 3HZ LYS 3 1HZ LYS 3 1.651 2.192 5.684 24 H SER 4 H SER 4 1.362 1.147 -0.783 25 HA SER 4 HA SER 4 3.902 2.847 -1.263 26 1HB SER 4 2HB SER 4 3.272 1.977 -3.484 27 2HB SER 4 1HB SER 4 1.658 2.688 -3.353 28 HG SER 4 HG SER 4 2.668 4.719 -3.068 29 H ALA 5 H ALA 5 3.576 5.115 -1.078 30 HA ALA 5 HA ALA 5 2.536 5.847 1.331 31 1HB ALA 5 2HB ALA 5 4.177 7.173 0.012 32 2HB ALA 5 3HB ALA 5 2.889 7.712 -1.101 33 3HB ALA 5 1HB ALA 5 2.882 8.236 0.603 34 H GLY 6 H GLY 6 0.774 6.719 2.264 35 1HA GLY 6 1HA GLY 6 -1.506 7.410 2.593 36 2HA GLY 6 2HA GLY 6 -1.715 7.603 0.865 37 H GLY 7 H GLY 7 -0.609 4.381 1.979 38 1HA GLY 7 2HA GLY 7 -1.599 2.411 2.375 39 2HA GLY 7 1HA GLY 7 -3.162 3.206 2.633 40 H ILE 8 H ILE 8 -1.047 2.902 -0.222 41 HA ILE 8 HA ILE 8 -3.021 1.817 -1.900 42 HB ILE 8 HB ILE 8 -0.066 2.371 -2.140 43 1HG1 ILE 8 2HG1 ILE 8 -1.337 4.279 -1.582 44 2HG1 ILE 8 1HG1 ILE 8 -0.432 4.447 -2.994 45 1HG2 ILE 8 3HG2 ILE 8 -0.689 0.707 -3.945 46 2HG2 ILE 8 1HG2 ILE 8 -1.927 1.845 -4.537 47 3HG2 ILE 8 2HG2 ILE 8 -0.198 2.282 -4.617 48 1HD1 ILE 8 2HD1 ILE 8 -3.447 4.072 -2.516 49 2HD1 ILE 8 1HD1 ILE 8 -2.649 5.640 -2.904 50 3HD1 ILE 8 3HD1 ILE 8 -2.789 4.326 -4.171 51 H VAL 9 H VAL 9 -3.261 0.284 -0.375 52 HA VAL 9 HA VAL 9 -1.388 -1.707 0.406 53 HB VAL 9 HB VAL 9 -2.380 0.139 1.807 54 1HG1 VAL 9 1HG1 VAL 9 -4.784 -0.194 1.401 55 2HG1 VAL 9 3HG1 VAL 9 -4.743 -1.725 2.308 56 3HG1 VAL 9 2HG1 VAL 9 -4.400 -0.164 3.148 57 1HG2 VAL 9 1HG2 VAL 9 -0.895 -1.623 2.748 58 2HG2 VAL 9 3HG2 VAL 9 -2.081 -1.097 3.951 59 3HG2 VAL 9 2HG2 VAL 9 -2.291 -2.653 3.072 60 H LEU 10 H LEU 10 -2.016 -2.577 -1.567 61 HA LEU 10 HA LEU 10 -2.715 -4.934 -2.460 62 1HB LEU 10 1HB LEU 10 -0.236 -3.578 -1.277 63 2HB LEU 10 2HB LEU 10 -0.156 -5.006 -2.257 64 HG LEU 10 HG LEU 10 -0.996 -4.137 -4.058 65 1HD1 LEU 10 2HD1 LEU 10 -2.766 -2.706 -3.789 66 2HD1 LEU 10 3HD1 LEU 10 -1.700 -1.305 -3.561 67 3HD1 LEU 10 1HD1 LEU 10 -1.665 -2.213 -5.102 68 1HD2 LEU 10 2HD2 LEU 10 1.486 -3.454 -3.416 69 2HD2 LEU 10 3HD2 LEU 10 0.865 -2.283 -4.628 70 3HD2 LEU 10 1HD2 LEU 10 0.795 -1.902 -2.878 71 1HN NH2 11 1HN NH2 11 -3.095 -6.999 -1.679 72 2HN NH2 11 2HN NH2 11 -2.490 -7.664 -0.079 Start of MODEL 19 1 1H ACE 1 1HA ACE 1 3.314 -7.673 -1.570 2 2H ACE 1 2HA ACE 1 1.573 -7.566 -1.178 3 3H ACE 1 3HA ACE 1 2.269 -6.519 -2.449 4 H THR 2 H THR 2 4.321 -5.402 -1.568 5 HA THR 2 HA THR 2 3.972 -4.222 1.230 6 HB THR 2 HB THR 2 6.136 -2.975 0.754 7 HG1 THR 2 HG1 THR 2 6.161 -4.693 -1.506 8 1HG2 THR 2 3HG2 THR 2 6.318 -5.102 2.032 9 2HG2 THR 2 2HG2 THR 2 6.467 -6.019 0.508 10 3HG2 THR 2 1HG2 THR 2 7.731 -4.849 0.972 11 H LYS 3 H LYS 3 2.838 -2.389 1.421 12 HA LYS 3 HA LYS 3 1.516 -1.170 -0.473 13 1HB LYS 3 2HB LYS 3 0.507 -0.551 1.371 14 2HB LYS 3 1HB LYS 3 1.456 -1.619 2.233 15 1HG LYS 3 2HG LYS 3 2.885 0.064 3.075 16 2HG LYS 3 1HG LYS 3 2.083 1.372 2.165 17 1HD LYS 3 2HD LYS 3 0.946 -0.406 4.395 18 2HD LYS 3 1HD LYS 3 1.697 1.140 4.686 19 1HE LYS 3 1HE LYS 3 -0.074 2.378 3.463 20 2HE LYS 3 2HE LYS 3 -0.899 0.859 3.061 21 1HZ LYS 3 2HZ LYS 3 -0.396 1.856 5.829 22 2HZ LYS 3 3HZ LYS 3 -1.849 1.886 5.043 23 3HZ LYS 3 1HZ LYS 3 -1.163 0.441 5.455 24 H SER 4 H SER 4 1.127 1.099 -0.790 25 HA SER 4 HA SER 4 3.637 2.733 -1.528 26 1HB SER 4 2HB SER 4 0.954 2.500 -2.995 27 2HB SER 4 1HB SER 4 2.251 3.641 -3.391 28 HG SER 4 HG SER 4 2.364 1.726 -4.603 29 H ALA 5 H ALA 5 3.476 4.992 -1.256 30 HA ALA 5 HA ALA 5 2.466 5.920 1.207 31 1HB ALA 5 1HB ALA 5 4.333 6.974 -0.060 32 2HB ALA 5 2HB ALA 5 3.192 7.574 -1.295 33 3HB ALA 5 3HB ALA 5 3.124 8.206 0.371 34 H GLY 6 H GLY 6 0.724 7.100 1.929 35 1HA GLY 6 1HA GLY 6 -1.501 8.178 1.728 36 2HA GLY 6 2HA GLY 6 -1.726 7.457 0.125 37 H GLY 7 H GLY 7 -1.699 5.019 0.139 38 1HA GLY 7 2HA GLY 7 -1.229 3.319 1.772 39 2HA GLY 7 1HA GLY 7 -2.822 3.657 2.520 40 H ILE 8 H ILE 8 -2.202 3.104 -1.106 41 HA ILE 8 HA ILE 8 -3.803 1.324 -1.512 42 HB ILE 8 HB ILE 8 -1.242 2.279 -2.880 43 1HG1 ILE 8 1HG1 ILE 8 -2.606 3.683 -4.214 44 2HG1 ILE 8 2HG1 ILE 8 -4.135 2.891 -3.710 45 1HG2 ILE 8 3HG2 ILE 8 -1.751 0.031 -3.869 46 2HG2 ILE 8 2HG2 ILE 8 -3.380 0.568 -4.303 47 3HG2 ILE 8 1HG2 ILE 8 -1.943 1.331 -5.051 48 1HD1 ILE 8 3HD1 ILE 8 -2.581 4.829 -2.040 49 2HD1 ILE 8 1HD1 ILE 8 -4.121 5.135 -2.970 50 3HD1 ILE 8 2HD1 ILE 8 -4.073 3.964 -1.612 51 H VAL 9 H VAL 9 -3.441 0.062 0.096 52 HA VAL 9 HA VAL 9 -1.333 -1.607 0.878 53 HB VAL 9 HB VAL 9 -2.898 -0.275 2.325 54 1HG1 VAL 9 3HG1 VAL 9 -5.084 -1.203 1.664 55 2HG1 VAL 9 1HG1 VAL 9 -4.668 -2.761 2.418 56 3HG1 VAL 9 2HG1 VAL 9 -4.827 -1.278 3.433 57 1HG2 VAL 9 3HG2 VAL 9 -1.040 -1.632 3.214 58 2HG2 VAL 9 1HG2 VAL 9 -2.400 -1.667 4.346 59 3HG2 VAL 9 2HG2 VAL 9 -2.067 -3.072 3.272 60 H LEU 10 H LEU 10 -1.413 -2.406 -1.096 61 HA LEU 10 HA LEU 10 -2.692 -4.222 -2.339 62 1HB LEU 10 1HB LEU 10 0.325 -3.930 -2.102 63 2HB LEU 10 2HB LEU 10 -0.389 -4.790 -3.427 64 HG LEU 10 HG LEU 10 -1.538 -2.025 -2.969 65 1HD1 LEU 10 3HD2 LEU 10 0.821 -1.553 -2.584 66 2HD1 LEU 10 1HD2 LEU 10 1.275 -2.325 -4.127 67 3HD1 LEU 10 2HD2 LEU 10 0.306 -0.799 -4.098 68 1HD2 LEU 10 2HD1 LEU 10 -2.499 -3.283 -4.682 69 2HD2 LEU 10 3HD1 LEU 10 -1.782 -1.765 -5.275 70 3HD2 LEU 10 1HD1 LEU 10 -0.932 -3.343 -5.572 71 1HN NH2 11 1HN NH2 11 -0.882 -7.304 -0.149 72 2HN NH2 11 2HN NH2 11 -0.213 -5.604 0.015 Start of MODEL 20 1 1H ACE 1 1HA ACE 1 1.263 -7.445 -0.815 2 2H ACE 1 2HA ACE 1 3.028 -7.575 -1.070 3 3H ACE 1 3HA ACE 1 2.049 -6.513 -2.122 4 H THR 2 H THR 2 4.030 -5.304 -1.204 5 HA THR 2 HA THR 2 3.481 -3.879 1.443 6 HB THR 2 HB THR 2 5.671 -2.663 1.011 7 HG1 THR 2 HG1 THR 2 6.992 -3.559 -0.593 8 1HG2 THR 2 2HG2 THR 2 5.764 -4.664 2.487 9 2HG2 THR 2 1HG2 THR 2 6.022 -5.714 1.068 10 3HG2 THR 2 3HG2 THR 2 7.249 -4.497 1.512 11 H LYS 3 H LYS 3 2.333 -2.045 1.385 12 HA LYS 3 HA LYS 3 1.153 -1.014 -0.697 13 1HB LYS 3 2HB LYS 3 0.014 -0.225 1.002 14 2HB LYS 3 1HB LYS 3 0.917 -1.195 2.028 15 1HG LYS 3 2HG LYS 3 2.314 0.594 2.787 16 2HG LYS 3 1HG LYS 3 1.512 1.771 1.699 17 1HD LYS 3 1HD LYS 3 -0.668 1.187 3.078 18 2HD LYS 3 2HD LYS 3 0.405 0.211 4.097 19 1HE LYS 3 2HE LYS 3 1.713 2.260 4.750 20 2HE LYS 3 1HE LYS 3 0.685 3.256 3.702 21 1HZ LYS 3 2HZ LYS 3 -1.236 2.583 5.053 22 2HZ LYS 3 1HZ LYS 3 -0.279 1.652 6.025 23 3HZ LYS 3 3HZ LYS 3 -0.082 3.292 5.999 24 H SER 4 H SER 4 0.789 1.219 -1.270 25 HA SER 4 HA SER 4 3.369 2.776 -1.953 26 1HB SER 4 1HB SER 4 1.891 2.191 -3.913 27 2HB SER 4 2HB SER 4 0.611 3.193 -3.178 28 HG SER 4 HG SER 4 1.903 4.337 -4.641 29 H ALA 5 H ALA 5 3.453 4.998 -1.358 30 HA ALA 5 HA ALA 5 2.628 5.704 1.245 31 1HB ALA 5 1HB ALA 5 4.498 6.781 0.012 32 2HB ALA 5 3HB ALA 5 3.346 7.587 -1.087 33 3HB ALA 5 2HB ALA 5 3.392 8.026 0.642 34 H GLY 6 H GLY 6 0.902 6.672 2.153 35 1HA GLY 6 2HA GLY 6 -1.287 7.889 2.137 36 2HA GLY 6 1HA GLY 6 -1.559 7.363 0.462 37 H GLY 7 H GLY 7 -2.362 5.182 0.178 38 1HA GLY 7 2HA GLY 7 -2.488 3.324 2.509 39 2HA GLY 7 1HA GLY 7 -3.833 3.767 1.408 40 H ILE 8 H ILE 8 -3.323 3.082 -1.087 41 HA ILE 8 HA ILE 8 -3.857 1.086 -2.042 42 HB ILE 8 HB ILE 8 -1.433 2.871 -2.354 43 1HG1 ILE 8 1HG1 ILE 8 -2.582 3.883 -4.168 44 2HG1 ILE 8 2HG1 ILE 8 -3.864 2.622 -4.214 45 1HG2 ILE 8 1HG2 ILE 8 -0.606 0.840 -3.468 46 2HG2 ILE 8 2HG2 ILE 8 -2.081 0.715 -4.469 47 3HG2 ILE 8 3HG2 ILE 8 -0.922 2.065 -4.691 48 1HD1 ILE 8 3HD1 ILE 8 -3.507 4.765 -2.138 49 2HD1 ILE 8 2HD1 ILE 8 -4.703 4.751 -3.518 50 3HD1 ILE 8 1HD1 ILE 8 -4.777 3.518 -2.207 51 H VAL 9 H VAL 9 -3.855 -0.221 -0.379 52 HA VAL 9 HA VAL 9 -1.642 -1.663 0.705 53 HB VAL 9 HB VAL 9 -3.363 -0.258 1.917 54 1HG1 VAL 9 3HG2 VAL 9 -5.456 -1.298 1.160 55 2HG1 VAL 9 2HG2 VAL 9 -5.065 -2.783 2.060 56 3HG1 VAL 9 1HG2 VAL 9 -5.342 -1.236 2.945 57 1HG2 VAL 9 2HG1 VAL 9 -1.543 -1.484 3.054 58 2HG2 VAL 9 1HG1 VAL 9 -2.990 -1.488 4.073 59 3HG2 VAL 9 3HG1 VAL 9 -2.530 -2.951 3.133 60 H LEU 10 H LEU 10 -1.612 -2.566 -1.235 61 HA LEU 10 HA LEU 10 -2.797 -4.516 -2.394 62 1HB LEU 10 1HB LEU 10 0.193 -3.972 -2.168 63 2HB LEU 10 2HB LEU 10 -0.438 -4.942 -3.454 64 HG LEU 10 HG LEU 10 -1.794 -2.247 -3.109 65 1HD1 LEU 10 2HD2 LEU 10 1.031 -2.458 -4.264 66 2HD1 LEU 10 3HD2 LEU 10 -0.024 -1.015 -4.400 67 3HD1 LEU 10 1HD2 LEU 10 0.517 -1.583 -2.801 68 1HD2 LEU 10 2HD1 LEU 10 -2.696 -3.663 -4.746 69 2HD2 LEU 10 3HD1 LEU 10 -2.084 -2.139 -5.436 70 3HD2 LEU 10 1HD1 LEU 10 -1.139 -3.675 -5.653 71 1HN NH2 11 1HN NH2 11 -2.854 -6.797 -2.524 72 2HN NH2 11 2HN NH2 11 -2.002 -7.922 -1.351 No H/Q in entry = 72
Contact the webmaster for help, if required. Sunday, June 16, 2024 1:32:08 PM GMT (wattos1)