NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
612872 | 5mxl | 34090 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 3.348 3.323 -0.724 2 H2 GLY 1 H2 GLY 1 2.171 4.404 -1.120 3 H3 GLY 1 H3 GLY 1 1.848 2.786 -1.123 4 HA2 GLY 1 HA2 GLY 1 2.503 4.410 1.232 5 HA3 GLY 1 HA3 GLY 1 0.885 3.814 0.804 6 H LEU 2 H LEU 2 1.323 2.989 3.147 7 HA LEU 2 HA LEU 2 1.959 0.134 2.933 8 HB2 LEU 2 HB2 LEU 2 4.170 1.132 3.369 9 HB3 LEU 2 HB3 LEU 2 3.497 2.030 4.740 10 HG LEU 2 HG LEU 2 3.044 -0.070 5.941 11 HD11 LEU 2 HD11 LEU 2 2.678 -1.585 4.023 12 HD12 LEU 2 HD12 LEU 2 4.377 -1.391 3.530 13 HD13 LEU 2 HD13 LEU 2 3.980 -2.198 5.062 14 HD21 LEU 2 HD21 LEU 2 5.216 1.073 6.202 15 HD22 LEU 2 HD22 LEU 2 5.385 -0.689 6.361 16 HD23 LEU 2 HD23 LEU 2 5.884 0.120 4.856 17 H PHE 3 H PHE 3 0.720 2.918 4.776 18 HA PHE 3 HA PHE 3 -0.024 1.513 7.059 19 HB2 PHE 3 HB2 PHE 3 -0.905 4.108 5.913 20 HB3 PHE 3 HB3 PHE 3 -1.800 3.393 7.254 21 HD1 PHE 3 HD1 PHE 3 -0.763 2.899 9.390 22 HD2 PHE 3 HD2 PHE 3 1.355 4.993 6.299 23 HE1 PHE 3 HE1 PHE 3 0.896 3.681 11.066 24 HE2 PHE 3 HE2 PHE 3 3.023 5.776 7.966 25 HZ PHE 3 HZ PHE 3 2.786 5.123 10.354 26 H ASP 4 H ASP 4 -1.736 1.447 4.002 27 HA ASP 4 HA ASP 4 -4.191 0.558 5.132 28 HB2 ASP 4 HB2 ASP 4 -2.967 0.075 2.399 29 HB3 ASP 4 HB3 ASP 4 -4.604 -0.419 2.849 30 H ILE 5 H ILE 5 -1.165 -1.086 4.519 31 HA ILE 5 HA ILE 5 -2.259 -3.760 4.961 32 HB ILE 5 HB ILE 5 0.560 -2.636 4.773 33 HG12 ILE 5 HG12 ILE 5 -1.085 -4.332 2.844 34 HG13 ILE 5 HG13 ILE 5 -0.836 -2.583 2.702 35 HG21 ILE 5 HG21 ILE 5 1.315 -4.987 4.656 36 HG22 ILE 5 HG22 ILE 5 0.524 -4.647 6.201 37 HG23 ILE 5 HG23 ILE 5 -0.354 -5.539 4.933 38 HD11 ILE 5 HD11 ILE 5 0.701 -3.726 1.224 39 HD12 ILE 5 HD12 ILE 5 1.610 -2.935 2.530 40 HD13 ILE 5 HD13 ILE 5 1.341 -4.700 2.567 41 H VAL 6 H VAL 6 -0.549 -1.228 6.833 42 HA VAL 6 HA VAL 6 -0.053 -2.847 9.133 43 HB VAL 6 HB VAL 6 -0.398 0.168 8.878 44 HG11 VAL 6 HG11 VAL 6 0.913 -1.520 11.048 45 HG12 VAL 6 HG12 VAL 6 0.964 0.260 10.944 46 HG13 VAL 6 HG13 VAL 6 -0.578 -0.568 11.218 47 HG21 VAL 6 HG21 VAL 6 1.389 -0.739 7.425 48 HG22 VAL 6 HG22 VAL 6 2.064 0.195 8.770 49 HG23 VAL 6 HG23 VAL 6 2.096 -1.587 8.819 50 H LYS 7 H LYS 7 -2.850 -0.776 8.202 51 HA LYS 7 HA LYS 7 -4.182 -1.072 10.725 52 HB2 LYS 7 HB2 LYS 7 -5.244 -0.454 7.943 53 HB3 LYS 7 HB3 LYS 7 -6.203 -0.358 9.424 54 HG2 LYS 7 HG2 LYS 7 -3.688 1.277 8.861 55 HG3 LYS 7 HG3 LYS 7 -5.360 1.854 8.740 56 HD2 LYS 7 HD2 LYS 7 -5.659 1.339 11.181 57 HD3 LYS 7 HD3 LYS 7 -3.927 0.920 11.262 58 HE2 LYS 7 HE2 LYS 7 -3.341 3.184 10.466 59 HE3 LYS 7 HE3 LYS 7 -5.059 3.601 10.371 60 HZ1 LYS 7 HZ1 LYS 7 -3.630 2.850 12.835 61 HZ2 LYS 7 HZ2 LYS 7 -4.075 4.373 12.406 62 HZ3 LYS 7 HZ3 LYS 7 -5.221 3.239 12.739 63 H LYS 8 H LYS 8 -3.956 -3.156 7.865 64 HA LYS 8 HA LYS 8 -6.187 -4.843 8.644 65 HB2 LYS 8 HB2 LYS 8 -5.419 -4.649 6.308 66 HB3 LYS 8 HB3 LYS 8 -3.844 -5.328 6.762 67 HG2 LYS 8 HG2 LYS 8 -4.900 -7.455 7.378 68 HG3 LYS 8 HG3 LYS 8 -6.513 -6.759 7.142 69 HD2 LYS 8 HD2 LYS 8 -5.917 -8.120 5.213 70 HD3 LYS 8 HD3 LYS 8 -6.028 -6.413 4.750 71 HE2 LYS 8 HE2 LYS 8 -4.088 -7.420 3.688 72 HE3 LYS 8 HE3 LYS 8 -3.549 -6.232 4.882 73 HZ1 LYS 8 HZ1 LYS 8 -3.657 -9.149 5.280 74 HZ2 LYS 8 HZ2 LYS 8 -2.295 -8.278 5.016 75 HZ3 LYS 8 HZ3 LYS 8 -3.144 -8.069 6.406 76 H VAL 9 H VAL 9 -2.717 -4.723 9.379 77 HA VAL 9 HA VAL 9 -2.640 -7.382 10.587 78 HB VAL 9 HB VAL 9 -0.825 -4.939 10.693 79 HG11 VAL 9 HG11 VAL 9 -0.392 -7.705 11.889 80 HG12 VAL 9 HG12 VAL 9 0.859 -6.445 11.713 81 HG13 VAL 9 HG13 VAL 9 -0.528 -6.175 12.786 82 HG21 VAL 9 HG21 VAL 9 -0.948 -6.158 8.532 83 HG22 VAL 9 HG22 VAL 9 0.647 -6.350 9.297 84 HG23 VAL 9 HG23 VAL 9 -0.538 -7.672 9.370 85 H VAL 10 H VAL 10 -3.131 -4.003 11.728 86 HA VAL 10 HA VAL 10 -3.247 -4.706 14.528 87 HB VAL 10 HB VAL 10 -4.242 -2.342 12.880 88 HG11 VAL 10 HG11 VAL 10 -5.655 -2.468 14.877 89 HG12 VAL 10 HG12 VAL 10 -4.217 -2.683 15.900 90 HG13 VAL 10 HG13 VAL 10 -4.492 -1.147 15.047 91 HG21 VAL 10 HG21 VAL 10 -2.344 -1.187 13.936 92 HG22 VAL 10 HG22 VAL 10 -1.929 -2.662 14.836 93 HG23 VAL 10 HG23 VAL 10 -1.775 -2.629 13.063 94 H GLY 11 H GLY 11 -5.552 -4.736 11.827 95 HA2 GLY 11 HA2 GLY 11 -7.964 -4.829 13.327 96 HA3 GLY 11 HA3 GLY 11 -7.715 -5.457 11.684 97 H ALA 12 H ALA 12 -5.552 -7.323 12.545 98 HA ALA 12 HA ALA 12 -7.204 -9.571 13.257 99 HB1 ALA 12 HB1 ALA 12 -4.169 -9.249 13.209 100 HB2 ALA 12 HB2 ALA 12 -5.053 -10.788 13.243 101 HB3 ALA 12 HB3 ALA 12 -5.183 -9.726 11.823 102 H LEU 13 H LEU 13 -5.235 -7.256 15.055 103 HA LEU 13 HA LEU 13 -5.221 -8.835 17.507 104 HB2 LEU 13 HB2 LEU 13 -4.559 -5.896 17.089 105 HB3 LEU 13 HB3 LEU 13 -4.111 -6.893 18.477 106 HG LEU 13 HG LEU 13 -3.136 -7.290 15.608 107 HD11 LEU 13 HD11 LEU 13 -1.727 -6.259 18.103 108 HD12 LEU 13 HD12 LEU 13 -0.979 -6.532 16.510 109 HD13 LEU 13 HD13 LEU 13 -2.228 -5.277 16.706 110 HD21 LEU 13 HD21 LEU 13 -3.239 -9.427 16.835 111 HD22 LEU 13 HD22 LEU 13 -1.556 -8.905 16.641 112 HD23 LEU 13 HD23 LEU 13 -2.380 -8.694 18.210 113 H GLY 14 H GLY 14 -7.714 -7.426 15.938 114 HA2 GLY 14 HA2 GLY 14 -9.848 -6.975 16.697 115 HA3 GLY 14 HA3 GLY 14 -9.275 -7.058 18.377 116 HN1 NH2 15 HN1 NH2 15 -7.240 -5.007 16.545 117 HN2 NH2 15 HN2 NH2 15 -7.978 -3.479 16.977 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 3.422 4.018 -0.133 2 H2 GLY 1 H2 GLY 1 2.181 4.902 -0.752 3 H3 GLY 1 H3 GLY 1 2.167 3.263 -0.891 4 HA2 GLY 1 HA2 GLY 1 2.005 4.769 1.626 5 HA3 GLY 1 HA3 GLY 1 0.641 3.965 0.817 6 H LEU 2 H LEU 2 1.149 3.278 3.386 7 HA LEU 2 HA LEU 2 1.914 0.449 3.129 8 HB2 LEU 2 HB2 LEU 2 4.058 1.572 3.592 9 HB3 LEU 2 HB3 LEU 2 3.331 2.384 4.988 10 HG LEU 2 HG LEU 2 3.005 0.219 6.122 11 HD11 LEU 2 HD11 LEU 2 4.436 -0.938 3.691 12 HD12 LEU 2 HD12 LEU 2 4.058 -1.817 5.193 13 HD13 LEU 2 HD13 LEU 2 2.744 -1.250 4.147 14 HD21 LEU 2 HD21 LEU 2 5.091 1.483 6.446 15 HD22 LEU 2 HD22 LEU 2 5.374 -0.269 6.536 16 HD23 LEU 2 HD23 LEU 2 5.831 0.635 5.072 17 H PHE 3 H PHE 3 0.499 3.137 4.989 18 HA PHE 3 HA PHE 3 -0.181 1.715 7.277 19 HB2 PHE 3 HB2 PHE 3 -1.321 4.152 5.986 20 HB3 PHE 3 HB3 PHE 3 -2.155 3.407 7.344 21 HD1 PHE 3 HD1 PHE 3 -1.222 3.272 9.548 22 HD2 PHE 3 HD2 PHE 3 0.889 5.240 6.361 23 HE1 PHE 3 HE1 PHE 3 0.268 4.345 11.207 24 HE2 PHE 3 HE2 PHE 3 2.387 6.316 8.022 25 HZ PHE 3 HZ PHE 3 2.085 5.872 10.442 26 H ASP 4 H ASP 4 -1.930 1.611 4.208 27 HA ASP 4 HA ASP 4 -4.212 0.376 5.404 28 HB2 ASP 4 HB2 ASP 4 -3.276 0.575 2.545 29 HB3 ASP 4 HB3 ASP 4 -4.714 -0.340 3.000 30 H ILE 5 H ILE 5 -1.135 -0.927 4.547 31 HA ILE 5 HA ILE 5 -2.063 -3.698 4.630 32 HB ILE 5 HB ILE 5 0.698 -2.420 4.673 33 HG12 ILE 5 HG12 ILE 5 -0.884 -3.846 2.492 34 HG13 ILE 5 HG13 ILE 5 -0.586 -2.102 2.585 35 HG21 ILE 5 HG21 ILE 5 -0.085 -5.352 4.397 36 HG22 ILE 5 HG22 ILE 5 1.565 -4.701 4.264 37 HG23 ILE 5 HG23 ILE 5 0.715 -4.622 5.807 38 HD11 ILE 5 HD11 ILE 5 1.520 -4.272 2.199 39 HD12 ILE 5 HD12 ILE 5 0.958 -3.096 0.997 40 HD13 ILE 5 HD13 ILE 5 1.870 -2.535 2.421 41 H VAL 6 H VAL 6 -0.466 -1.339 6.811 42 HA VAL 6 HA VAL 6 -0.063 -3.221 8.948 43 HB VAL 6 HB VAL 6 -0.227 -0.184 8.974 44 HG11 VAL 6 HG11 VAL 6 0.949 -2.143 10.982 45 HG12 VAL 6 HG12 VAL 6 1.118 -0.379 11.056 46 HG13 VAL 6 HG13 VAL 6 -0.486 -1.116 11.233 47 HG21 VAL 6 HG21 VAL 6 2.244 -0.293 8.895 48 HG22 VAL 6 HG22 VAL 6 2.162 -2.065 8.772 49 HG23 VAL 6 HG23 VAL 6 1.540 -1.050 7.457 50 H LYS 7 H LYS 7 -2.732 -1.031 8.052 51 HA LYS 7 HA LYS 7 -4.187 -1.219 10.488 52 HB2 LYS 7 HB2 LYS 7 -4.899 -0.590 7.618 53 HB3 LYS 7 HB3 LYS 7 -6.132 -0.609 8.901 54 HG2 LYS 7 HG2 LYS 7 -5.134 1.157 10.087 55 HG3 LYS 7 HG3 LYS 7 -3.573 0.962 9.289 56 HD2 LYS 7 HD2 LYS 7 -4.786 2.981 8.511 57 HD3 LYS 7 HD3 LYS 7 -4.451 1.840 7.201 58 HE2 LYS 7 HE2 LYS 7 -6.760 0.947 7.404 59 HE3 LYS 7 HE3 LYS 7 -7.106 2.160 8.652 60 HZ1 LYS 7 HZ1 LYS 7 -7.827 2.875 6.481 61 HZ2 LYS 7 HZ2 LYS 7 -6.629 3.863 7.020 62 HZ3 LYS 7 HZ3 LYS 7 -6.306 2.733 5.873 63 H LYS 8 H LYS 8 -3.904 -3.478 7.771 64 HA LYS 8 HA LYS 8 -6.174 -5.091 8.636 65 HB2 LYS 8 HB2 LYS 8 -3.879 -5.630 6.712 66 HB3 LYS 8 HB3 LYS 8 -5.254 -6.713 6.964 67 HG2 LYS 8 HG2 LYS 8 -6.819 -4.968 6.240 68 HG3 LYS 8 HG3 LYS 8 -5.486 -3.814 6.045 69 HD2 LYS 8 HD2 LYS 8 -4.462 -5.292 4.331 70 HD3 LYS 8 HD3 LYS 8 -5.833 -6.418 4.505 71 HE2 LYS 8 HE2 LYS 8 -7.388 -4.617 3.836 72 HE3 LYS 8 HE3 LYS 8 -6.025 -3.498 3.674 73 HZ1 LYS 8 HZ1 LYS 8 -6.405 -5.965 2.114 74 HZ2 LYS 8 HZ2 LYS 8 -6.656 -4.440 1.564 75 HZ3 LYS 8 HZ3 LYS 8 -5.138 -4.925 1.964 76 H VAL 9 H VAL 9 -2.696 -4.976 9.329 77 HA VAL 9 HA VAL 9 -2.633 -7.597 10.605 78 HB VAL 9 HB VAL 9 -0.762 -5.194 10.641 79 HG11 VAL 9 HG11 VAL 9 -0.443 -6.499 12.696 80 HG12 VAL 9 HG12 VAL 9 -0.349 -8.001 11.747 81 HG13 VAL 9 HG13 VAL 9 0.916 -6.761 11.580 82 HG21 VAL 9 HG21 VAL 9 -0.593 -7.889 9.235 83 HG22 VAL 9 HG22 VAL 9 -0.979 -6.335 8.455 84 HG23 VAL 9 HG23 VAL 9 0.626 -6.599 9.173 85 H VAL 10 H VAL 10 -2.970 -4.185 11.668 86 HA VAL 10 HA VAL 10 -3.107 -4.823 14.487 87 HB VAL 10 HB VAL 10 -3.990 -2.402 12.857 88 HG11 VAL 10 HG11 VAL 10 -5.263 -2.452 14.945 89 HG12 VAL 10 HG12 VAL 10 -3.775 -2.754 15.875 90 HG13 VAL 10 HG13 VAL 10 -4.011 -1.202 15.037 91 HG21 VAL 10 HG21 VAL 10 -1.538 -2.860 12.879 92 HG22 VAL 10 HG22 VAL 10 -1.941 -1.388 13.779 93 HG23 VAL 10 HG23 VAL 10 -1.574 -2.886 14.659 94 H GLY 11 H GLY 11 -5.436 -4.742 11.809 95 HA2 GLY 11 HA2 GLY 11 -7.826 -4.645 13.357 96 HA3 GLY 11 HA3 GLY 11 -7.661 -5.297 11.714 97 H ALA 12 H ALA 12 -5.597 -7.304 12.560 98 HA ALA 12 HA ALA 12 -7.365 -9.443 13.325 99 HB1 ALA 12 HB1 ALA 12 -5.294 -10.780 13.321 100 HB2 ALA 12 HB2 ALA 12 -5.372 -9.742 11.881 101 HB3 ALA 12 HB3 ALA 12 -4.322 -9.293 13.244 102 H LEU 13 H LEU 13 -5.289 -7.202 15.075 103 HA LEU 13 HA LEU 13 -5.354 -8.738 17.559 104 HB2 LEU 13 HB2 LEU 13 -4.517 -5.856 17.078 105 HB3 LEU 13 HB3 LEU 13 -4.132 -6.858 18.483 106 HG LEU 13 HG LEU 13 -3.176 -7.372 15.625 107 HD11 LEU 13 HD11 LEU 13 -1.722 -6.384 18.111 108 HD12 LEU 13 HD12 LEU 13 -0.976 -6.722 16.530 109 HD13 LEU 13 HD13 LEU 13 -2.144 -5.394 16.694 110 HD21 LEU 13 HD21 LEU 13 -3.417 -9.473 16.889 111 HD22 LEU 13 HD22 LEU 13 -1.702 -9.058 16.701 112 HD23 LEU 13 HD23 LEU 13 -2.522 -8.770 18.256 113 H GLY 14 H GLY 14 -7.752 -7.217 15.961 114 HA2 GLY 14 HA2 GLY 14 -9.863 -6.638 16.705 115 HA3 GLY 14 HA3 GLY 14 -9.295 -6.709 18.388 116 HN1 NH2 15 HN1 NH2 15 -7.163 -4.825 16.489 117 HN2 NH2 15 HN2 NH2 15 -7.801 -3.245 16.895 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 3.504 3.736 -0.228 2 H2 GLY 1 H2 GLY 1 2.301 4.776 -0.655 3 H3 GLY 1 H3 GLY 1 2.038 3.151 -0.693 4 HA2 GLY 1 HA2 GLY 1 2.549 4.756 1.713 5 HA3 GLY 1 HA3 GLY 1 0.971 4.116 1.214 6 H LEU 2 H LEU 2 1.304 3.246 3.543 7 HA LEU 2 HA LEU 2 2.115 0.433 3.301 8 HB2 LEU 2 HB2 LEU 2 4.216 1.539 3.938 9 HB3 LEU 2 HB3 LEU 2 3.382 2.369 5.265 10 HG LEU 2 HG LEU 2 2.957 0.222 6.393 11 HD11 LEU 2 HD11 LEU 2 4.568 -0.954 4.078 12 HD12 LEU 2 HD12 LEU 2 4.083 -1.829 5.550 13 HD13 LEU 2 HD13 LEU 2 2.847 -1.263 4.414 14 HD21 LEU 2 HD21 LEU 2 5.858 0.610 5.562 15 HD22 LEU 2 HD22 LEU 2 5.019 1.487 6.863 16 HD23 LEU 2 HD23 LEU 2 5.283 -0.263 7.005 17 H PHE 3 H PHE 3 0.561 3.087 5.112 18 HA PHE 3 HA PHE 3 -0.319 1.571 7.281 19 HB2 PHE 3 HB2 PHE 3 -1.250 4.116 6.052 20 HB3 PHE 3 HB3 PHE 3 -2.259 3.326 7.263 21 HD1 PHE 3 HD1 PHE 3 -1.526 2.990 9.532 22 HD2 PHE 3 HD2 PHE 3 0.928 5.094 6.706 23 HE1 PHE 3 HE1 PHE 3 -0.173 3.902 11.401 24 HE2 PHE 3 HE2 PHE 3 2.303 5.992 8.573 25 HZ PHE 3 HZ PHE 3 1.751 5.401 10.919 26 H ASP 4 H ASP 4 -1.734 1.551 4.054 27 HA ASP 4 HA ASP 4 -4.178 0.406 4.955 28 HB2 ASP 4 HB2 ASP 4 -2.826 0.424 2.254 29 HB3 ASP 4 HB3 ASP 4 -4.368 -0.395 2.543 30 H ILE 5 H ILE 5 -1.036 -0.975 4.493 31 HA ILE 5 HA ILE 5 -2.019 -3.735 4.629 32 HB ILE 5 HB ILE 5 0.751 -2.487 4.774 33 HG12 ILE 5 HG12 ILE 5 -0.659 -4.067 2.580 34 HG13 ILE 5 HG13 ILE 5 -0.443 -2.311 2.593 35 HG21 ILE 5 HG21 ILE 5 -0.041 -5.425 4.607 36 HG22 ILE 5 HG22 ILE 5 1.619 -4.781 4.541 37 HG23 ILE 5 HG23 ILE 5 0.676 -4.631 6.026 38 HD11 ILE 5 HD11 ILE 5 1.783 -4.385 2.474 39 HD12 ILE 5 HD12 ILE 5 1.264 -3.279 1.183 40 HD13 ILE 5 HD13 ILE 5 2.032 -2.628 2.641 41 H VAL 6 H VAL 6 -0.509 -1.307 6.805 42 HA VAL 6 HA VAL 6 -0.164 -3.133 8.987 43 HB VAL 6 HB VAL 6 -0.347 -0.093 8.931 44 HG11 VAL 6 HG11 VAL 6 0.762 -1.995 11.043 45 HG12 VAL 6 HG12 VAL 6 0.931 -0.223 11.054 46 HG13 VAL 6 HG13 VAL 6 -0.676 -0.961 11.206 47 HG21 VAL 6 HG21 VAL 6 1.450 -1.009 7.499 48 HG22 VAL 6 HG22 VAL 6 2.115 -0.190 8.928 49 HG23 VAL 6 HG23 VAL 6 2.059 -1.965 8.866 50 H LYS 7 H LYS 7 -2.860 -0.966 8.036 51 HA LYS 7 HA LYS 7 -4.248 -1.168 10.524 52 HB2 LYS 7 HB2 LYS 7 -5.120 -0.503 7.702 53 HB3 LYS 7 HB3 LYS 7 -6.246 -0.496 9.081 54 HG2 LYS 7 HG2 LYS 7 -4.875 1.129 10.276 55 HG3 LYS 7 HG3 LYS 7 -3.657 1.112 9.000 56 HD2 LYS 7 HD2 LYS 7 -6.540 2.051 8.700 57 HD3 LYS 7 HD3 LYS 7 -5.105 3.087 8.830 58 HE2 LYS 7 HE2 LYS 7 -4.201 2.062 6.751 59 HE3 LYS 7 HE3 LYS 7 -5.663 1.075 6.610 60 HZ1 LYS 7 HZ1 LYS 7 -5.761 3.041 5.251 61 HZ2 LYS 7 HZ2 LYS 7 -6.930 3.084 6.400 62 HZ3 LYS 7 HZ3 LYS 7 -5.578 4.015 6.563 63 H LYS 8 H LYS 8 -3.992 -3.401 7.812 64 HA LYS 8 HA LYS 8 -6.274 -5.008 8.683 65 HB2 LYS 8 HB2 LYS 8 -4.019 -5.561 6.720 66 HB3 LYS 8 HB3 LYS 8 -5.410 -6.625 7.006 67 HG2 LYS 8 HG2 LYS 8 -6.950 -4.765 6.376 68 HG3 LYS 8 HG3 LYS 8 -5.545 -3.754 5.992 69 HD2 LYS 8 HD2 LYS 8 -6.242 -6.419 4.680 70 HD3 LYS 8 HD3 LYS 8 -6.509 -4.811 3.971 71 HE2 LYS 8 HE2 LYS 8 -4.073 -4.372 4.055 72 HE3 LYS 8 HE3 LYS 8 -3.809 -5.992 4.736 73 HZ1 LYS 8 HZ1 LYS 8 -3.463 -5.944 2.356 74 HZ2 LYS 8 HZ2 LYS 8 -4.737 -6.913 2.723 75 HZ3 LYS 8 HZ3 LYS 8 -5.000 -5.423 2.101 76 H VAL 9 H VAL 9 -2.781 -4.914 9.287 77 HA VAL 9 HA VAL 9 -2.665 -7.539 10.533 78 HB VAL 9 HB VAL 9 -0.836 -5.101 10.597 79 HG11 VAL 9 HG11 VAL 9 -0.474 -6.419 12.633 80 HG12 VAL 9 HG12 VAL 9 -0.361 -7.913 11.667 81 HG13 VAL 9 HG13 VAL 9 0.879 -6.643 11.513 82 HG21 VAL 9 HG21 VAL 9 0.568 -6.459 9.099 83 HG22 VAL 9 HG22 VAL 9 -0.631 -7.777 9.150 84 HG23 VAL 9 HG23 VAL 9 -1.037 -6.220 8.391 85 H VAL 10 H VAL 10 -3.050 -4.148 11.663 86 HA VAL 10 HA VAL 10 -3.098 -4.845 14.465 87 HB VAL 10 HB VAL 10 -4.038 -2.411 12.894 88 HG11 VAL 10 HG11 VAL 10 -3.776 -2.803 15.907 89 HG12 VAL 10 HG12 VAL 10 -4.029 -1.238 15.099 90 HG13 VAL 10 HG13 VAL 10 -5.277 -2.490 15.009 91 HG21 VAL 10 HG21 VAL 10 -1.979 -1.392 13.797 92 HG22 VAL 10 HG22 VAL 10 -1.586 -2.911 14.636 93 HG23 VAL 10 HG23 VAL 10 -1.590 -2.849 12.862 94 H GLY 11 H GLY 11 -5.498 -4.700 11.847 95 HA2 GLY 11 HA2 GLY 11 -7.855 -4.669 13.436 96 HA3 GLY 11 HA3 GLY 11 -7.701 -5.297 11.777 97 H ALA 12 H ALA 12 -5.602 -7.286 12.570 98 HA ALA 12 HA ALA 12 -7.348 -9.445 13.330 99 HB1 ALA 12 HB1 ALA 12 -5.281 -10.776 13.244 100 HB2 ALA 12 HB2 ALA 12 -5.395 -9.706 11.827 101 HB3 ALA 12 HB3 ALA 12 -4.311 -9.285 13.175 102 H LEU 13 H LEU 13 -5.258 -7.217 15.080 103 HA LEU 13 HA LEU 13 -5.262 -8.805 17.528 104 HB2 LEU 13 HB2 LEU 13 -4.424 -5.916 17.093 105 HB3 LEU 13 HB3 LEU 13 -4.015 -6.948 18.469 106 HG LEU 13 HG LEU 13 -3.133 -7.392 15.580 107 HD11 LEU 13 HD11 LEU 13 -0.902 -6.776 16.443 108 HD12 LEU 13 HD12 LEU 13 -2.059 -5.443 16.640 109 HD13 LEU 13 HD13 LEU 13 -1.606 -6.446 18.038 110 HD21 LEU 13 HD21 LEU 13 -2.385 -8.844 18.160 111 HD22 LEU 13 HD22 LEU 13 -3.331 -9.525 16.814 112 HD23 LEU 13 HD23 LEU 13 -1.628 -9.106 16.568 113 H GLY 14 H GLY 14 -7.727 -7.288 16.025 114 HA2 GLY 14 HA2 GLY 14 -9.805 -6.720 16.850 115 HA3 GLY 14 HA3 GLY 14 -9.168 -6.780 18.512 116 HN1 NH2 15 HN1 NH2 15 -7.098 -4.892 16.566 117 HN2 NH2 15 HN2 NH2 15 -7.734 -3.317 16.986 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 3.061 3.502 -0.638 2 H2 GLY 1 H2 GLY 1 1.783 4.358 -1.225 3 H3 GLY 1 H3 GLY 1 1.744 2.707 -1.218 4 HA2 GLY 1 HA2 GLY 1 1.820 4.432 1.161 5 HA3 GLY 1 HA3 GLY 1 0.381 3.591 0.545 6 H LEU 2 H LEU 2 1.015 3.062 3.096 7 HA LEU 2 HA LEU 2 1.790 0.227 2.988 8 HB2 LEU 2 HB2 LEU 2 3.936 1.380 3.294 9 HB3 LEU 2 HB3 LEU 2 3.261 2.299 4.654 10 HG LEU 2 HG LEU 2 2.989 0.225 5.960 11 HD11 LEU 2 HD11 LEU 2 2.686 -1.396 4.111 12 HD12 LEU 2 HD12 LEU 2 4.352 -1.092 3.569 13 HD13 LEU 2 HD13 LEU 2 4.045 -1.869 5.143 14 HD21 LEU 2 HD21 LEU 2 5.067 1.540 6.112 15 HD22 LEU 2 HD22 LEU 2 5.377 -0.195 6.331 16 HD23 LEU 2 HD23 LEU 2 5.771 0.584 4.780 17 H PHE 3 H PHE 3 0.401 3.019 4.699 18 HA PHE 3 HA PHE 3 -0.193 1.707 7.092 19 HB2 PHE 3 HB2 PHE 3 -1.299 4.134 5.771 20 HB3 PHE 3 HB3 PHE 3 -2.100 3.469 7.192 21 HD1 PHE 3 HD1 PHE 3 0.906 5.195 5.987 22 HD2 PHE 3 HD2 PHE 3 -0.978 3.278 9.337 23 HE1 PHE 3 HE1 PHE 3 2.543 6.269 7.523 24 HE2 PHE 3 HE2 PHE 3 0.658 4.345 10.874 25 HZ PHE 3 HZ PHE 3 2.415 5.849 9.962 26 H ASP 4 H ASP 4 -1.931 1.375 4.072 27 HA ASP 4 HA ASP 4 -4.287 0.343 5.315 28 HB2 ASP 4 HB2 ASP 4 -3.163 -0.020 2.523 29 HB3 ASP 4 HB3 ASP 4 -4.728 -0.665 3.038 30 H ILE 5 H ILE 5 -1.179 -1.095 4.566 31 HA ILE 5 HA ILE 5 -2.090 -3.835 4.992 32 HB ILE 5 HB ILE 5 0.649 -2.538 4.745 33 HG12 ILE 5 HG12 ILE 5 -0.975 -4.268 2.829 34 HG13 ILE 5 HG13 ILE 5 -0.804 -2.511 2.712 35 HG21 ILE 5 HG21 ILE 5 1.540 -4.826 4.534 36 HG22 ILE 5 HG22 ILE 5 0.783 -4.592 6.115 37 HG23 ILE 5 HG23 ILE 5 -0.077 -5.500 4.852 38 HD11 ILE 5 HD11 ILE 5 1.665 -2.786 2.482 39 HD12 ILE 5 HD12 ILE 5 1.436 -4.552 2.441 40 HD13 ILE 5 HD13 ILE 5 0.738 -3.540 1.165 41 H VAL 6 H VAL 6 -0.420 -1.263 6.860 42 HA VAL 6 HA VAL 6 0.162 -2.912 9.129 43 HB VAL 6 HB VAL 6 -0.223 0.098 8.883 44 HG11 VAL 6 HG11 VAL 6 1.066 -1.566 11.083 45 HG12 VAL 6 HG12 VAL 6 1.131 0.207 10.966 46 HG13 VAL 6 HG13 VAL 6 -0.423 -0.608 11.231 47 HG21 VAL 6 HG21 VAL 6 2.298 -1.615 8.881 48 HG22 VAL 6 HG22 VAL 6 1.594 -0.814 7.456 49 HG23 VAL 6 HG23 VAL 6 2.232 0.163 8.793 50 H LYS 7 H LYS 7 -2.630 -0.826 8.261 51 HA LYS 7 HA LYS 7 -3.975 -1.156 10.770 52 HB2 LYS 7 HB2 LYS 7 -4.900 -0.326 7.999 53 HB3 LYS 7 HB3 LYS 7 -5.975 -0.364 9.414 54 HG2 LYS 7 HG2 LYS 7 -4.589 1.226 10.610 55 HG3 LYS 7 HG3 LYS 7 -3.336 1.160 9.362 56 HD2 LYS 7 HD2 LYS 7 -4.655 3.198 9.115 57 HD3 LYS 7 HD3 LYS 7 -4.902 2.128 7.721 58 HE2 LYS 7 HE2 LYS 7 -7.023 1.321 8.708 59 HE3 LYS 7 HE3 LYS 7 -6.770 2.359 10.117 60 HZ1 LYS 7 HZ1 LYS 7 -7.110 3.294 7.345 61 HZ2 LYS 7 HZ2 LYS 7 -8.240 3.378 8.535 62 HZ3 LYS 7 HZ3 LYS 7 -6.859 4.259 8.651 63 H LYS 8 H LYS 8 -3.775 -3.166 7.877 64 HA LYS 8 HA LYS 8 -6.073 -4.810 8.528 65 HB2 LYS 8 HB2 LYS 8 -5.211 -4.589 6.254 66 HB3 LYS 8 HB3 LYS 8 -3.656 -5.295 6.738 67 HG2 LYS 8 HG2 LYS 8 -4.769 -7.411 7.339 68 HG3 LYS 8 HG3 LYS 8 -6.345 -6.729 6.894 69 HD2 LYS 8 HD2 LYS 8 -3.964 -7.135 5.028 70 HD3 LYS 8 HD3 LYS 8 -5.410 -8.166 5.112 71 HE2 LYS 8 HE2 LYS 8 -6.823 -6.220 4.487 72 HE3 LYS 8 HE3 LYS 8 -5.368 -5.219 4.359 73 HZ1 LYS 8 HZ1 LYS 8 -6.059 -6.064 2.228 74 HZ2 LYS 8 HZ2 LYS 8 -4.591 -6.684 2.619 75 HZ3 LYS 8 HZ3 LYS 8 -5.936 -7.617 2.739 76 H VAL 9 H VAL 9 -2.621 -4.844 9.377 77 HA VAL 9 HA VAL 9 -2.711 -7.513 10.547 78 HB VAL 9 HB VAL 9 -0.739 -5.186 10.682 79 HG11 VAL 9 HG11 VAL 9 -0.473 -7.992 11.842 80 HG12 VAL 9 HG12 VAL 9 0.845 -6.807 11.703 81 HG13 VAL 9 HG13 VAL 9 -0.536 -6.477 12.767 82 HG21 VAL 9 HG21 VAL 9 -0.926 -6.371 8.505 83 HG22 VAL 9 HG22 VAL 9 0.641 -6.688 9.284 84 HG23 VAL 9 HG23 VAL 9 -0.635 -7.919 9.329 85 H VAL 10 H VAL 10 -3.013 -4.115 11.721 86 HA VAL 10 HA VAL 10 -3.172 -4.845 14.507 87 HB VAL 10 HB VAL 10 -4.038 -2.398 12.909 88 HG11 VAL 10 HG11 VAL 10 -3.954 -2.796 15.930 89 HG12 VAL 10 HG12 VAL 10 -4.172 -1.237 15.108 90 HG13 VAL 10 HG13 VAL 10 -5.407 -2.504 14.943 91 HG21 VAL 10 HG21 VAL 10 -2.047 -1.381 13.953 92 HG22 VAL 10 HG22 VAL 10 -1.708 -2.899 14.813 93 HG23 VAL 10 HG23 VAL 10 -1.586 -2.825 13.038 94 H GLY 11 H GLY 11 -5.485 -4.700 11.816 95 HA2 GLY 11 HA2 GLY 11 -7.888 -4.694 13.340 96 HA3 GLY 11 HA3 GLY 11 -7.684 -5.301 11.677 97 H ALA 12 H ALA 12 -5.598 -7.290 12.499 98 HA ALA 12 HA ALA 12 -7.349 -9.470 13.180 99 HB1 ALA 12 HB1 ALA 12 -4.308 -9.283 13.147 100 HB2 ALA 12 HB2 ALA 12 -5.262 -10.782 13.160 101 HB3 ALA 12 HB3 ALA 12 -5.337 -9.694 11.756 102 H LEU 13 H LEU 13 -5.308 -7.253 15.022 103 HA LEU 13 HA LEU 13 -5.389 -8.861 17.456 104 HB2 LEU 13 HB2 LEU 13 -4.565 -5.961 17.067 105 HB3 LEU 13 HB3 LEU 13 -4.183 -6.992 18.448 106 HG LEU 13 HG LEU 13 -3.207 -7.423 15.586 107 HD11 LEU 13 HD11 LEU 13 -1.756 -6.483 18.096 108 HD12 LEU 13 HD12 LEU 13 -1.013 -6.773 16.507 109 HD13 LEU 13 HD13 LEU 13 -2.194 -5.462 16.710 110 HD21 LEU 13 HD21 LEU 13 -3.437 -9.557 16.801 111 HD22 LEU 13 HD22 LEU 13 -1.729 -9.124 16.610 112 HD23 LEU 13 HD23 LEU 13 -2.537 -8.880 18.179 113 H GLY 14 H GLY 14 -7.803 -7.312 15.890 114 HA2 GLY 14 HA2 GLY 14 -9.912 -6.737 16.649 115 HA3 GLY 14 HA3 GLY 14 -9.347 -6.870 18.327 116 HN1 NH2 15 HN1 NH2 15 -7.190 -4.938 16.500 117 HN2 NH2 15 HN2 NH2 15 -7.805 -3.370 16.973 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 0.541 2.749 -0.795 2 H2 GLY 1 H2 GLY 1 -0.310 4.158 -0.793 3 H3 GLY 1 H3 GLY 1 -1.021 2.762 -0.281 4 HA2 GLY 1 HA2 GLY 1 1.205 4.144 1.041 5 HA3 GLY 1 HA3 GLY 1 -0.484 4.139 1.586 6 H LEU 2 H LEU 2 1.956 3.162 2.976 7 HA LEU 2 HA LEU 2 1.774 0.237 2.945 8 HB2 LEU 2 HB2 LEU 2 3.937 1.388 3.257 9 HB3 LEU 2 HB3 LEU 2 3.286 2.245 4.663 10 HG LEU 2 HG LEU 2 3.049 0.134 5.902 11 HD11 LEU 2 HD11 LEU 2 2.668 -1.419 4.020 12 HD12 LEU 2 HD12 LEU 2 4.323 -1.121 3.434 13 HD13 LEU 2 HD13 LEU 2 4.062 -1.942 4.990 14 HD21 LEU 2 HD21 LEU 2 5.798 0.499 4.645 15 HD22 LEU 2 HD22 LEU 2 5.148 1.420 6.024 16 HD23 LEU 2 HD23 LEU 2 5.453 -0.322 6.185 17 H PHE 3 H PHE 3 0.450 2.958 4.692 18 HA PHE 3 HA PHE 3 -0.190 1.710 7.105 19 HB2 PHE 3 HB2 PHE 3 -1.216 4.108 5.664 20 HB3 PHE 3 HB3 PHE 3 -2.074 3.512 7.083 21 HD1 PHE 3 HD1 PHE 3 -0.922 3.272 9.260 22 HD2 PHE 3 HD2 PHE 3 0.896 5.261 5.915 23 HE1 PHE 3 HE1 PHE 3 0.694 4.376 10.800 24 HE2 PHE 3 HE2 PHE 3 2.509 6.370 7.451 25 HZ PHE 3 HZ PHE 3 2.408 5.927 9.887 26 H ASP 4 H ASP 4 -1.894 1.342 4.060 27 HA ASP 4 HA ASP 4 -4.285 0.356 5.295 28 HB2 ASP 4 HB2 ASP 4 -3.139 -0.070 2.515 29 HB3 ASP 4 HB3 ASP 4 -4.740 -0.617 3.021 30 H ILE 5 H ILE 5 -1.187 -1.106 4.538 31 HA ILE 5 HA ILE 5 -2.127 -3.840 4.953 32 HB ILE 5 HB ILE 5 0.627 -2.576 4.706 33 HG12 ILE 5 HG12 ILE 5 -1.010 -4.254 2.761 34 HG13 ILE 5 HG13 ILE 5 -0.824 -2.491 2.689 35 HG21 ILE 5 HG21 ILE 5 1.484 -4.883 4.456 36 HG22 ILE 5 HG22 ILE 5 0.741 -4.650 6.046 37 HG23 ILE 5 HG23 ILE 5 -0.142 -5.525 4.772 38 HD11 ILE 5 HD11 ILE 5 1.631 -2.762 2.420 39 HD12 ILE 5 HD12 ILE 5 1.410 -4.532 2.396 40 HD13 ILE 5 HD13 ILE 5 0.701 -3.534 1.116 41 H VAL 6 H VAL 6 -0.442 -1.285 6.826 42 HA VAL 6 HA VAL 6 0.137 -2.957 9.088 43 HB VAL 6 HB VAL 6 -0.192 0.055 8.826 44 HG11 VAL 6 HG11 VAL 6 -0.410 -0.636 11.184 45 HG12 VAL 6 HG12 VAL 6 1.080 -1.606 11.049 46 HG13 VAL 6 HG13 VAL 6 1.149 0.164 10.914 47 HG21 VAL 6 HG21 VAL 6 2.284 -1.726 8.845 48 HG22 VAL 6 HG22 VAL 6 1.613 -0.912 7.420 49 HG23 VAL 6 HG23 VAL 6 2.280 0.051 8.756 50 H LYS 7 H LYS 7 -2.631 -0.804 8.260 51 HA LYS 7 HA LYS 7 -3.946 -1.152 10.785 52 HB2 LYS 7 HB2 LYS 7 -4.917 -0.304 8.034 53 HB3 LYS 7 HB3 LYS 7 -5.955 -0.333 9.476 54 HG2 LYS 7 HG2 LYS 7 -4.519 1.249 10.632 55 HG3 LYS 7 HG3 LYS 7 -3.313 1.188 9.342 56 HD2 LYS 7 HD2 LYS 7 -4.651 3.224 9.131 57 HD3 LYS 7 HD3 LYS 7 -4.930 2.158 7.748 58 HE2 LYS 7 HE2 LYS 7 -7.048 3.096 8.511 59 HE3 LYS 7 HE3 LYS 7 -7.027 1.349 8.766 60 HZ1 LYS 7 HZ1 LYS 7 -6.488 1.766 11.078 61 HZ2 LYS 7 HZ2 LYS 7 -6.510 3.394 10.826 62 HZ3 LYS 7 HZ3 LYS 7 -7.889 2.517 10.663 63 H LYS 8 H LYS 8 -3.773 -3.158 7.894 64 HA LYS 8 HA LYS 8 -6.082 -4.770 8.576 65 HB2 LYS 8 HB2 LYS 8 -5.245 -4.582 6.282 66 HB3 LYS 8 HB3 LYS 8 -3.698 -5.301 6.761 67 HG2 LYS 8 HG2 LYS 8 -4.796 -7.405 7.340 68 HG3 LYS 8 HG3 LYS 8 -6.394 -6.691 7.030 69 HD2 LYS 8 HD2 LYS 8 -5.705 -8.072 5.142 70 HD3 LYS 8 HD3 LYS 8 -5.786 -6.369 4.644 71 HE2 LYS 8 HE2 LYS 8 -3.339 -6.170 4.899 72 HE3 LYS 8 HE3 LYS 8 -3.247 -7.857 5.436 73 HZ1 LYS 8 HZ1 LYS 8 -2.728 -7.647 3.115 74 HZ2 LYS 8 HZ2 LYS 8 -4.110 -8.518 3.301 75 HZ3 LYS 8 HZ3 LYS 8 -4.182 -6.956 2.794 76 H VAL 9 H VAL 9 -2.619 -4.825 9.398 77 HA VAL 9 HA VAL 9 -2.712 -7.480 10.587 78 HB VAL 9 HB VAL 9 -0.753 -5.150 10.737 79 HG11 VAL 9 HG11 VAL 9 0.835 -6.758 11.750 80 HG12 VAL 9 HG12 VAL 9 -0.552 -6.453 12.807 81 HG13 VAL 9 HG13 VAL 9 -0.472 -7.963 11.872 82 HG21 VAL 9 HG21 VAL 9 -0.639 -7.873 9.360 83 HG22 VAL 9 HG22 VAL 9 -0.928 -6.320 8.548 84 HG23 VAL 9 HG23 VAL 9 0.638 -6.634 9.323 85 H VAL 10 H VAL 10 -3.014 -4.088 11.742 86 HA VAL 10 HA VAL 10 -3.199 -4.794 14.536 87 HB VAL 10 HB VAL 10 -4.090 -2.364 12.925 88 HG11 VAL 10 HG11 VAL 10 -3.959 -2.733 15.945 89 HG12 VAL 10 HG12 VAL 10 -4.222 -1.186 15.107 90 HG13 VAL 10 HG13 VAL 10 -5.431 -2.476 14.983 91 HG21 VAL 10 HG21 VAL 10 -1.634 -2.777 13.023 92 HG22 VAL 10 HG22 VAL 10 -2.098 -1.326 13.932 93 HG23 VAL 10 HG23 VAL 10 -1.736 -2.837 14.800 94 H GLY 11 H GLY 11 -5.498 -4.676 11.822 95 HA2 GLY 11 HA2 GLY 11 -7.901 -4.690 13.345 96 HA3 GLY 11 HA3 GLY 11 -7.694 -5.289 11.686 97 H ALA 12 H ALA 12 -5.592 -7.264 12.502 98 HA ALA 12 HA ALA 12 -7.332 -9.454 13.179 99 HB1 ALA 12 HB1 ALA 12 -4.291 -9.263 13.101 100 HB2 ALA 12 HB2 ALA 12 -5.242 -10.764 13.139 101 HB3 ALA 12 HB3 ALA 12 -5.348 -9.682 11.732 102 H LEU 13 H LEU 13 -5.293 -7.239 15.012 103 HA LEU 13 HA LEU 13 -5.346 -8.851 17.444 104 HB2 LEU 13 HB2 LEU 13 -4.561 -5.939 17.057 105 HB3 LEU 13 HB3 LEU 13 -4.176 -6.968 18.447 106 HG LEU 13 HG LEU 13 -3.179 -7.382 15.591 107 HD11 LEU 13 HD11 LEU 13 -1.761 -6.435 18.113 108 HD12 LEU 13 HD12 LEU 13 -0.998 -6.735 16.535 109 HD13 LEU 13 HD13 LEU 13 -2.186 -5.424 16.707 110 HD21 LEU 13 HD21 LEU 13 -3.382 -9.529 16.786 111 HD22 LEU 13 HD22 LEU 13 -1.675 -9.061 16.634 112 HD23 LEU 13 HD23 LEU 13 -2.513 -8.844 18.181 113 H GLY 14 H GLY 14 -7.782 -7.361 15.880 114 HA2 GLY 14 HA2 GLY 14 -9.904 -6.834 16.627 115 HA3 GLY 14 HA3 GLY 14 -9.341 -6.951 18.309 116 HN1 NH2 15 HN1 NH2 15 -7.242 -4.957 16.476 117 HN2 NH2 15 HN2 NH2 15 -7.910 -3.409 16.942 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 1.366 4.379 -1.223 2 H2 GLY 1 H2 GLY 1 1.039 2.769 -1.074 3 H3 GLY 1 H3 GLY 1 2.590 3.309 -0.958 4 HA2 GLY 1 HA2 GLY 1 2.091 4.516 1.048 5 HA3 GLY 1 HA3 GLY 1 0.422 3.930 0.921 6 H LEU 2 H LEU 2 1.017 3.138 3.157 7 HA LEU 2 HA LEU 2 1.792 0.315 2.970 8 HB2 LEU 2 HB2 LEU 2 3.956 1.450 3.302 9 HB3 LEU 2 HB3 LEU 2 3.281 2.335 4.686 10 HG LEU 2 HG LEU 2 3.004 0.221 5.934 11 HD11 LEU 2 HD11 LEU 2 4.332 -1.035 3.491 12 HD12 LEU 2 HD12 LEU 2 4.037 -1.854 5.039 13 HD13 LEU 2 HD13 LEU 2 2.662 -1.337 4.040 14 HD21 LEU 2 HD21 LEU 2 5.402 -0.259 6.248 15 HD22 LEU 2 HD22 LEU 2 5.774 0.589 4.728 16 HD23 LEU 2 HD23 LEU 2 5.108 1.490 6.112 17 H PHE 3 H PHE 3 0.435 3.064 4.775 18 HA PHE 3 HA PHE 3 -0.187 1.687 7.119 19 HB2 PHE 3 HB2 PHE 3 -1.277 4.165 5.872 20 HB3 PHE 3 HB3 PHE 3 -2.080 3.453 7.265 21 HD1 PHE 3 HD1 PHE 3 -0.983 3.182 9.401 22 HD2 PHE 3 HD2 PHE 3 0.944 5.211 6.145 23 HE1 PHE 3 HE1 PHE 3 0.648 4.176 10.993 24 HE2 PHE 3 HE2 PHE 3 2.572 6.221 7.740 25 HZ PHE 3 HZ PHE 3 2.422 5.699 10.153 26 H ASP 4 H ASP 4 -1.918 1.438 4.080 27 HA ASP 4 HA ASP 4 -4.273 0.390 5.298 28 HB2 ASP 4 HB2 ASP 4 -3.155 0.087 2.496 29 HB3 ASP 4 HB3 ASP 4 -4.719 -0.561 3.005 30 H ILE 5 H ILE 5 -1.176 -1.049 4.510 31 HA ILE 5 HA ILE 5 -2.106 -3.795 4.894 32 HB ILE 5 HB ILE 5 0.636 -2.503 4.649 33 HG12 ILE 5 HG12 ILE 5 -1.001 -4.193 2.711 34 HG13 ILE 5 HG13 ILE 5 -0.827 -2.435 2.637 35 HG21 ILE 5 HG21 ILE 5 1.509 -4.815 4.394 36 HG22 ILE 5 HG22 ILE 5 0.766 -4.596 5.983 37 HG23 ILE 5 HG23 ILE 5 -0.115 -5.468 4.709 38 HD11 ILE 5 HD11 ILE 5 1.411 -4.474 2.311 39 HD12 ILE 5 HD12 ILE 5 0.704 -3.449 1.051 40 HD13 ILE 5 HD13 ILE 5 1.645 -2.710 2.366 41 H VAL 6 H VAL 6 -0.426 -1.263 6.809 42 HA VAL 6 HA VAL 6 0.156 -2.986 9.032 43 HB VAL 6 HB VAL 6 -0.178 0.039 8.848 44 HG11 VAL 6 HG11 VAL 6 1.210 0.080 10.915 45 HG12 VAL 6 HG12 VAL 6 -0.349 -0.715 11.186 46 HG13 VAL 6 HG13 VAL 6 1.129 -1.693 10.995 47 HG21 VAL 6 HG21 VAL 6 1.593 -0.866 7.371 48 HG22 VAL 6 HG22 VAL 6 2.292 0.043 8.725 49 HG23 VAL 6 HG23 VAL 6 2.303 -1.735 8.750 50 H LYS 7 H LYS 7 -2.614 -0.836 8.239 51 HA LYS 7 HA LYS 7 -3.937 -1.197 10.755 52 HB2 LYS 7 HB2 LYS 7 -4.890 -0.348 8.005 53 HB3 LYS 7 HB3 LYS 7 -5.955 -0.391 9.430 54 HG2 LYS 7 HG2 LYS 7 -4.533 1.174 10.627 55 HG3 LYS 7 HG3 LYS 7 -3.321 1.142 9.344 56 HD2 LYS 7 HD2 LYS 7 -4.671 3.171 9.176 57 HD3 LYS 7 HD3 LYS 7 -4.931 2.135 7.760 58 HE2 LYS 7 HE2 LYS 7 -7.027 1.274 8.782 59 HE3 LYS 7 HE3 LYS 7 -6.746 2.290 10.206 60 HZ1 LYS 7 HZ1 LYS 7 -6.892 4.215 8.779 61 HZ2 LYS 7 HZ2 LYS 7 -7.155 3.271 7.462 62 HZ3 LYS 7 HZ3 LYS 7 -8.267 3.316 8.663 63 H LYS 8 H LYS 8 -3.769 -3.194 7.856 64 HA LYS 8 HA LYS 8 -6.082 -4.810 8.523 65 HB2 LYS 8 HB2 LYS 8 -5.211 -4.587 6.236 66 HB3 LYS 8 HB3 LYS 8 -3.685 -5.356 6.732 67 HG2 LYS 8 HG2 LYS 8 -4.866 -7.443 7.258 68 HG3 LYS 8 HG3 LYS 8 -6.427 -6.666 6.925 69 HD2 LYS 8 HD2 LYS 8 -5.750 -8.034 5.017 70 HD3 LYS 8 HD3 LYS 8 -5.741 -6.320 4.563 71 HE2 LYS 8 HE2 LYS 8 -3.282 -6.241 4.886 72 HE3 LYS 8 HE3 LYS 8 -3.293 -7.934 5.403 73 HZ1 LYS 8 HZ1 LYS 8 -2.694 -7.705 3.090 74 HZ2 LYS 8 HZ2 LYS 8 -4.111 -8.522 3.217 75 HZ3 LYS 8 HZ3 LYS 8 -4.114 -6.951 2.748 76 H VAL 9 H VAL 9 -2.627 -4.867 9.363 77 HA VAL 9 HA VAL 9 -2.725 -7.542 10.523 78 HB VAL 9 HB VAL 9 -0.745 -5.228 10.689 79 HG11 VAL 9 HG11 VAL 9 -0.528 -6.549 12.731 80 HG12 VAL 9 HG12 VAL 9 -0.510 -8.061 11.785 81 HG13 VAL 9 HG13 VAL 9 0.828 -6.904 11.653 82 HG21 VAL 9 HG21 VAL 9 -0.927 -6.331 8.477 83 HG22 VAL 9 HG22 VAL 9 0.627 -6.700 9.247 84 HG23 VAL 9 HG23 VAL 9 -0.675 -7.913 9.244 85 H VAL 10 H VAL 10 -2.994 -4.161 11.699 86 HA VAL 10 HA VAL 10 -3.140 -4.862 14.497 87 HB VAL 10 HB VAL 10 -4.033 -2.432 12.888 88 HG11 VAL 10 HG11 VAL 10 -3.892 -2.795 15.906 89 HG12 VAL 10 HG12 VAL 10 -4.129 -1.242 15.059 90 HG13 VAL 10 HG13 VAL 10 -5.362 -2.513 14.946 91 HG21 VAL 10 HG21 VAL 10 -1.575 -2.870 12.985 92 HG22 VAL 10 HG22 VAL 10 -2.021 -1.404 13.886 93 HG23 VAL 10 HG23 VAL 10 -1.665 -2.907 14.757 94 H GLY 11 H GLY 11 -5.475 -4.753 11.811 95 HA2 GLY 11 HA2 GLY 11 -7.865 -4.714 13.349 96 HA3 GLY 11 HA3 GLY 11 -7.674 -5.358 11.702 97 H ALA 12 H ALA 12 -5.588 -7.338 12.570 98 HA ALA 12 HA ALA 12 -7.360 -9.493 13.281 99 HB1 ALA 12 HB1 ALA 12 -4.322 -9.339 13.239 100 HB2 ALA 12 HB2 ALA 12 -5.303 -10.825 13.272 101 HB3 ALA 12 HB3 ALA 12 -5.362 -9.756 11.852 102 H LEU 13 H LEU 13 -5.363 -7.234 15.090 103 HA LEU 13 HA LEU 13 -5.415 -8.810 17.553 104 HB2 LEU 13 HB2 LEU 13 -4.605 -5.914 17.115 105 HB3 LEU 13 HB3 LEU 13 -4.214 -6.930 18.508 106 HG LEU 13 HG LEU 13 -3.254 -7.397 15.652 107 HD11 LEU 13 HD11 LEU 13 -1.060 -6.743 16.559 108 HD12 LEU 13 HD12 LEU 13 -2.247 -5.425 16.736 109 HD13 LEU 13 HD13 LEU 13 -1.799 -6.423 18.144 110 HD21 LEU 13 HD21 LEU 13 -3.460 -9.520 16.910 111 HD22 LEU 13 HD22 LEU 13 -1.754 -9.082 16.720 112 HD23 LEU 13 HD23 LEU 13 -2.575 -8.806 18.277 113 H GLY 14 H GLY 14 -7.833 -7.332 15.959 114 HA2 GLY 14 HA2 GLY 14 -9.961 -6.797 16.716 115 HA3 GLY 14 HA3 GLY 14 -9.368 -6.813 18.393 116 HN1 NH2 15 HN1 NH2 15 -7.269 -4.930 16.486 117 HN2 NH2 15 HN2 NH2 15 -7.943 -3.357 16.853 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 3.022 3.229 -0.840 2 H2 GLY 1 H2 GLY 1 1.763 4.167 -1.343 3 H3 GLY 1 H3 GLY 1 1.590 2.530 -1.245 4 HA2 GLY 1 HA2 GLY 1 2.020 4.335 1.029 5 HA3 GLY 1 HA3 GLY 1 0.478 3.580 0.581 6 H LEU 2 H LEU 2 1.048 2.999 3.027 7 HA LEU 2 HA LEU 2 1.823 0.166 2.971 8 HB2 LEU 2 HB2 LEU 2 3.972 1.310 3.278 9 HB3 LEU 2 HB3 LEU 2 3.294 2.255 4.616 10 HG LEU 2 HG LEU 2 3.002 0.211 5.961 11 HD11 LEU 2 HD11 LEU 2 4.037 -1.911 5.184 12 HD12 LEU 2 HD12 LEU 2 2.678 -1.440 4.147 13 HD13 LEU 2 HD13 LEU 2 4.351 -1.177 3.597 14 HD21 LEU 2 HD21 LEU 2 5.106 1.495 6.081 15 HD22 LEU 2 HD22 LEU 2 5.385 -0.237 6.348 16 HD23 LEU 2 HD23 LEU 2 5.795 0.500 4.777 17 H PHE 3 H PHE 3 0.437 2.991 4.633 18 HA PHE 3 HA PHE 3 -0.178 1.719 7.042 19 HB2 PHE 3 HB2 PHE 3 -1.248 4.144 5.687 20 HB3 PHE 3 HB3 PHE 3 -2.070 3.498 7.108 21 HD1 PHE 3 HD1 PHE 3 -0.985 3.331 9.265 22 HD2 PHE 3 HD2 PHE 3 0.962 5.192 5.922 23 HE1 PHE 3 HE1 PHE 3 0.651 4.389 10.815 24 HE2 PHE 3 HE2 PHE 3 2.593 6.257 7.459 25 HZ PHE 3 HZ PHE 3 2.438 5.859 9.906 26 H ASP 4 H ASP 4 -1.909 1.350 4.029 27 HA ASP 4 HA ASP 4 -4.282 0.366 5.282 28 HB2 ASP 4 HB2 ASP 4 -3.160 -0.063 2.496 29 HB3 ASP 4 HB3 ASP 4 -4.733 -0.665 3.029 30 H ILE 5 H ILE 5 -1.193 -1.110 4.552 31 HA ILE 5 HA ILE 5 -2.117 -3.840 5.022 32 HB ILE 5 HB ILE 5 0.632 -2.568 4.762 33 HG12 ILE 5 HG12 ILE 5 -1.016 -4.280 2.847 34 HG13 ILE 5 HG13 ILE 5 -0.801 -2.520 2.737 35 HG21 ILE 5 HG21 ILE 5 0.757 -4.622 6.139 36 HG22 ILE 5 HG22 ILE 5 -0.133 -5.511 4.882 37 HG23 ILE 5 HG23 ILE 5 1.502 -4.871 4.560 38 HD11 ILE 5 HD11 ILE 5 1.393 -4.614 2.472 39 HD12 ILE 5 HD12 ILE 5 0.715 -3.601 1.187 40 HD13 ILE 5 HD13 ILE 5 1.659 -2.856 2.496 41 H VAL 6 H VAL 6 -0.443 -1.243 6.856 42 HA VAL 6 HA VAL 6 0.153 -2.874 9.144 43 HB VAL 6 HB VAL 6 -0.228 0.134 8.855 44 HG11 VAL 6 HG11 VAL 6 -0.448 -0.529 11.213 45 HG12 VAL 6 HG12 VAL 6 1.033 -1.504 11.100 46 HG13 VAL 6 HG13 VAL 6 1.110 0.270 10.939 47 HG21 VAL 6 HG21 VAL 6 2.233 0.178 8.799 48 HG22 VAL 6 HG22 VAL 6 2.279 -1.598 8.889 49 HG23 VAL 6 HG23 VAL 6 1.593 -0.795 7.458 50 H LYS 7 H LYS 7 -2.651 -0.775 8.274 51 HA LYS 7 HA LYS 7 -3.980 -1.109 10.789 52 HB2 LYS 7 HB2 LYS 7 -4.934 -0.308 8.029 53 HB3 LYS 7 HB3 LYS 7 -5.983 -0.327 9.463 54 HG2 LYS 7 HG2 LYS 7 -4.573 1.273 10.620 55 HG3 LYS 7 HG3 LYS 7 -3.347 1.200 9.348 56 HD2 LYS 7 HD2 LYS 7 -4.686 3.236 9.125 57 HD3 LYS 7 HD3 LYS 7 -4.938 2.174 7.730 58 HE2 LYS 7 HE2 LYS 7 -7.039 1.346 8.739 59 HE3 LYS 7 HE3 LYS 7 -6.778 2.387 10.150 60 HZ1 LYS 7 HZ1 LYS 7 -6.907 4.285 8.691 61 HZ2 LYS 7 HZ2 LYS 7 -7.153 3.321 7.385 62 HZ3 LYS 7 HZ3 LYS 7 -8.275 3.381 8.581 63 H LYS 8 H LYS 8 -3.773 -3.135 7.901 64 HA LYS 8 HA LYS 8 -6.077 -4.758 8.553 65 HB2 LYS 8 HB2 LYS 8 -5.211 -4.546 6.272 66 HB3 LYS 8 HB3 LYS 8 -3.662 -5.248 6.770 67 HG2 LYS 8 HG2 LYS 8 -4.774 -7.368 7.353 68 HG3 LYS 8 HG3 LYS 8 -6.353 -6.675 6.920 69 HD2 LYS 8 HD2 LYS 8 -3.999 -7.059 5.022 70 HD3 LYS 8 HD3 LYS 8 -5.432 -8.107 5.124 71 HE2 LYS 8 HE2 LYS 8 -6.875 -6.174 4.525 72 HE3 LYS 8 HE3 LYS 8 -5.433 -5.155 4.376 73 HZ1 LYS 8 HZ1 LYS 8 -5.998 -7.560 2.779 74 HZ2 LYS 8 HZ2 LYS 8 -6.144 -6.010 2.261 75 HZ3 LYS 8 HZ3 LYS 8 -4.660 -6.619 2.636 76 H VAL 9 H VAL 9 -2.616 -4.811 9.384 77 HA VAL 9 HA VAL 9 -2.692 -7.481 10.544 78 HB VAL 9 HB VAL 9 -0.747 -5.142 10.688 79 HG11 VAL 9 HG11 VAL 9 -0.468 -7.947 11.850 80 HG12 VAL 9 HG12 VAL 9 0.848 -6.762 11.712 81 HG13 VAL 9 HG13 VAL 9 -0.533 -6.428 12.774 82 HG21 VAL 9 HG21 VAL 9 -0.624 -7.870 9.327 83 HG22 VAL 9 HG22 VAL 9 -0.908 -6.314 8.510 84 HG23 VAL 9 HG23 VAL 9 0.651 -6.628 9.295 85 H VAL 10 H VAL 10 -3.019 -4.105 11.719 86 HA VAL 10 HA VAL 10 -3.177 -4.826 14.517 87 HB VAL 10 HB VAL 10 -4.041 -2.376 12.921 88 HG11 VAL 10 HG11 VAL 10 -3.967 -2.779 15.936 89 HG12 VAL 10 HG12 VAL 10 -4.182 -1.218 15.112 90 HG13 VAL 10 HG13 VAL 10 -5.417 -2.470 14.948 91 HG21 VAL 10 HG21 VAL 10 -1.592 -2.833 13.047 92 HG22 VAL 10 HG22 VAL 10 -2.035 -1.378 13.958 93 HG23 VAL 10 HG23 VAL 10 -1.714 -2.896 14.822 94 H GLY 11 H GLY 11 -5.481 -4.708 11.815 95 HA2 GLY 11 HA2 GLY 11 -7.883 -4.692 13.337 96 HA3 GLY 11 HA3 GLY 11 -7.680 -5.303 11.677 97 H ALA 12 H ALA 12 -5.578 -7.273 12.540 98 HA ALA 12 HA ALA 12 -7.341 -9.468 13.185 99 HB1 ALA 12 HB1 ALA 12 -4.299 -9.282 13.144 100 HB2 ALA 12 HB2 ALA 12 -5.261 -10.779 13.150 101 HB3 ALA 12 HB3 ALA 12 -5.334 -9.687 11.751 102 H LEU 13 H LEU 13 -5.321 -7.259 15.036 103 HA LEU 13 HA LEU 13 -5.363 -8.882 17.463 104 HB2 LEU 13 HB2 LEU 13 -4.595 -5.967 17.065 105 HB3 LEU 13 HB3 LEU 13 -4.200 -6.988 18.456 106 HG LEU 13 HG LEU 13 -3.214 -7.419 15.595 107 HD11 LEU 13 HD11 LEU 13 -1.797 -6.414 18.096 108 HD12 LEU 13 HD12 LEU 13 -1.039 -6.716 16.520 109 HD13 LEU 13 HD13 LEU 13 -2.246 -5.424 16.687 110 HD21 LEU 13 HD21 LEU 13 -3.385 -9.543 16.837 111 HD22 LEU 13 HD22 LEU 13 -1.683 -9.062 16.654 112 HD23 LEU 13 HD23 LEU 13 -2.510 -8.816 18.210 113 H GLY 14 H GLY 14 -7.809 -7.368 15.903 114 HA2 GLY 14 HA2 GLY 14 -9.933 -6.848 16.667 115 HA3 GLY 14 HA3 GLY 14 -9.356 -6.963 18.345 116 HN1 NH2 15 HN1 NH2 15 -7.236 -4.997 16.534 117 HN2 NH2 15 HN2 NH2 15 -7.898 -3.437 16.979 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -0.091 3.882 -1.022 2 H2 GLY 1 H2 GLY 1 -0.856 2.529 -0.476 3 H3 GLY 1 H3 GLY 1 0.711 2.442 -0.980 4 HA2 GLY 1 HA2 GLY 1 1.440 3.826 0.825 5 HA3 GLY 1 HA3 GLY 1 -0.248 3.940 1.357 6 H LEU 2 H LEU 2 2.118 2.857 2.774 7 HA LEU 2 HA LEU 2 1.754 -0.054 2.838 8 HB2 LEU 2 HB2 LEU 2 3.988 0.949 3.070 9 HB3 LEU 2 HB3 LEU 2 3.426 1.913 4.446 10 HG LEU 2 HG LEU 2 3.074 -0.127 5.782 11 HD11 LEU 2 HD11 LEU 2 3.932 -2.292 4.935 12 HD12 LEU 2 HD12 LEU 2 2.566 -1.715 3.959 13 HD13 LEU 2 HD13 LEU 2 4.231 -1.554 3.346 14 HD21 LEU 2 HD21 LEU 2 5.258 1.031 5.829 15 HD22 LEU 2 HD22 LEU 2 5.454 -0.724 6.031 16 HD23 LEU 2 HD23 LEU 2 5.819 0.041 4.466 17 H PHE 3 H PHE 3 0.631 2.811 4.491 18 HA PHE 3 HA PHE 3 -0.019 1.693 6.963 19 HB2 PHE 3 HB2 PHE 3 -0.917 4.119 5.495 20 HB3 PHE 3 HB3 PHE 3 -1.770 3.624 6.952 21 HD1 PHE 3 HD1 PHE 3 1.289 5.126 5.664 22 HD2 PHE 3 HD2 PHE 3 -0.564 3.316 9.090 23 HE1 PHE 3 HE1 PHE 3 3.037 6.114 7.127 24 HE2 PHE 3 HE2 PHE 3 1.184 4.311 10.565 25 HZ PHE 3 HZ PHE 3 2.981 5.714 9.578 26 H ASP 4 H ASP 4 -1.834 1.338 3.982 27 HA ASP 4 HA ASP 4 -4.235 0.536 5.302 28 HB2 ASP 4 HB2 ASP 4 -3.170 -0.061 2.523 29 HB3 ASP 4 HB3 ASP 4 -4.777 -0.537 3.080 30 H ILE 5 H ILE 5 -1.249 -1.139 4.548 31 HA ILE 5 HA ILE 5 -2.322 -3.780 5.164 32 HB ILE 5 HB ILE 5 0.487 -2.686 4.758 33 HG12 ILE 5 HG12 ILE 5 -1.263 -4.474 3.013 34 HG13 ILE 5 HG13 ILE 5 -1.072 -2.726 2.793 35 HG21 ILE 5 HG21 ILE 5 -0.405 -5.577 5.124 36 HG22 ILE 5 HG22 ILE 5 1.235 -5.044 4.676 37 HG23 ILE 5 HG23 ILE 5 0.582 -4.631 6.264 38 HD11 ILE 5 HD11 ILE 5 0.395 -3.889 1.251 39 HD12 ILE 5 HD12 ILE 5 1.371 -3.035 2.466 40 HD13 ILE 5 HD13 ILE 5 1.145 -4.797 2.573 41 H VAL 6 H VAL 6 -0.533 -1.184 6.860 42 HA VAL 6 HA VAL 6 0.069 -2.716 9.200 43 HB VAL 6 HB VAL 6 -0.345 0.280 8.838 44 HG11 VAL 6 HG11 VAL 6 1.010 0.486 10.905 45 HG12 VAL 6 HG12 VAL 6 -0.537 -0.339 11.202 46 HG13 VAL 6 HG13 VAL 6 0.968 -1.282 11.095 47 HG21 VAL 6 HG21 VAL 6 2.124 0.338 8.745 48 HG22 VAL 6 HG22 VAL 6 2.183 -1.433 8.880 49 HG23 VAL 6 HG23 VAL 6 1.474 -0.677 7.440 50 H LYS 7 H LYS 7 -2.773 -0.687 8.296 51 HA LYS 7 HA LYS 7 -4.097 -1.046 10.820 52 HB2 LYS 7 HB2 LYS 7 -5.144 -0.370 8.046 53 HB3 LYS 7 HB3 LYS 7 -6.135 -0.331 9.502 54 HG2 LYS 7 HG2 LYS 7 -3.632 1.346 9.034 55 HG3 LYS 7 HG3 LYS 7 -5.297 1.915 8.877 56 HD2 LYS 7 HD2 LYS 7 -3.973 0.932 11.446 57 HD3 LYS 7 HD3 LYS 7 -4.325 2.607 11.019 58 HE2 LYS 7 HE2 LYS 7 -6.753 2.066 10.911 59 HE3 LYS 7 HE3 LYS 7 -6.389 0.404 11.404 60 HZ1 LYS 7 HZ1 LYS 7 -5.806 2.824 12.983 61 HZ2 LYS 7 HZ2 LYS 7 -7.034 1.774 13.265 62 HZ3 LYS 7 HZ3 LYS 7 -5.476 1.283 13.448 63 H LYS 8 H LYS 8 -3.830 -3.070 7.944 64 HA LYS 8 HA LYS 8 -6.071 -4.775 8.647 65 HB2 LYS 8 HB2 LYS 8 -5.280 -4.527 6.341 66 HB3 LYS 8 HB3 LYS 8 -3.697 -5.188 6.782 67 HG2 LYS 8 HG2 LYS 8 -4.727 -7.335 7.401 68 HG3 LYS 8 HG3 LYS 8 -6.334 -6.691 7.001 69 HD2 LYS 8 HD2 LYS 8 -4.009 -6.998 5.051 70 HD3 LYS 8 HD3 LYS 8 -5.398 -8.094 5.178 71 HE2 LYS 8 HE2 LYS 8 -6.922 -6.222 4.621 72 HE3 LYS 8 HE3 LYS 8 -5.528 -5.139 4.457 73 HZ1 LYS 8 HZ1 LYS 8 -6.021 -7.547 2.836 74 HZ2 LYS 8 HZ2 LYS 8 -6.249 -5.995 2.349 75 HZ3 LYS 8 HZ3 LYS 8 -4.732 -6.536 2.675 76 H VAL 9 H VAL 9 -2.594 -4.709 9.413 77 HA VAL 9 HA VAL 9 -2.548 -7.377 10.566 78 HB VAL 9 HB VAL 9 -0.729 -4.945 10.722 79 HG11 VAL 9 HG11 VAL 9 -0.299 -7.716 11.915 80 HG12 VAL 9 HG12 VAL 9 0.946 -6.456 11.762 81 HG13 VAL 9 HG13 VAL 9 -0.449 -6.192 12.818 82 HG21 VAL 9 HG21 VAL 9 -0.837 -6.161 8.557 83 HG22 VAL 9 HG22 VAL 9 0.752 -6.349 9.339 84 HG23 VAL 9 HG23 VAL 9 -0.431 -7.676 9.397 85 H VAL 10 H VAL 10 -3.063 -4.019 11.777 86 HA VAL 10 HA VAL 10 -3.191 -4.811 14.558 87 HB VAL 10 HB VAL 10 -4.117 -2.360 13.006 88 HG11 VAL 10 HG11 VAL 10 -4.074 -2.820 16.022 89 HG12 VAL 10 HG12 VAL 10 -4.320 -1.251 15.236 90 HG13 VAL 10 HG13 VAL 10 -5.517 -2.536 15.020 91 HG21 VAL 10 HG21 VAL 10 -1.662 -2.714 13.152 92 HG22 VAL 10 HG22 VAL 10 -2.175 -1.297 14.095 93 HG23 VAL 10 HG23 VAL 10 -1.787 -2.827 14.919 94 H GLY 11 H GLY 11 -5.484 -4.687 11.845 95 HA2 GLY 11 HA2 GLY 11 -7.900 -4.779 13.340 96 HA3 GLY 11 HA3 GLY 11 -7.661 -5.354 11.677 97 H ALA 12 H ALA 12 -5.535 -7.299 12.494 98 HA ALA 12 HA ALA 12 -7.221 -9.535 13.127 99 HB1 ALA 12 HB1 ALA 12 -4.186 -9.252 13.156 100 HB2 ALA 12 HB2 ALA 12 -5.095 -10.780 13.128 101 HB3 ALA 12 HB3 ALA 12 -5.180 -9.676 11.736 102 H LEU 13 H LEU 13 -5.303 -7.272 15.031 103 HA LEU 13 HA LEU 13 -5.375 -8.923 17.439 104 HB2 LEU 13 HB2 LEU 13 -4.619 -5.994 17.118 105 HB3 LEU 13 HB3 LEU 13 -4.240 -7.052 18.486 106 HG LEU 13 HG LEU 13 -3.205 -7.383 15.631 107 HD11 LEU 13 HD11 LEU 13 -1.823 -6.500 18.195 108 HD12 LEU 13 HD12 LEU 13 -1.047 -6.742 16.611 109 HD13 LEU 13 HD13 LEU 13 -2.249 -5.451 16.817 110 HD21 LEU 13 HD21 LEU 13 -3.411 -9.565 16.783 111 HD22 LEU 13 HD22 LEU 13 -1.709 -9.088 16.645 112 HD23 LEU 13 HD23 LEU 13 -2.555 -8.906 18.199 113 H GLY 14 H GLY 14 -7.798 -7.421 15.841 114 HA2 GLY 14 HA2 GLY 14 -9.939 -6.944 16.560 115 HA3 GLY 14 HA3 GLY 14 -9.405 -7.060 18.251 116 HN1 NH2 15 HN1 NH2 15 -7.270 -5.046 16.517 117 HN2 NH2 15 HN2 NH2 15 -7.973 -3.502 16.948 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 2.761 2.940 -1.164 2 H2 GLY 1 H2 GLY 1 1.552 4.026 -1.459 3 H3 GLY 1 H3 GLY 1 1.201 2.427 -1.287 4 HA2 GLY 1 HA2 GLY 1 2.277 4.182 0.813 5 HA3 GLY 1 HA3 GLY 1 0.590 3.642 0.685 6 H LEU 2 H LEU 2 1.145 2.871 2.940 7 HA LEU 2 HA LEU 2 1.778 0.008 2.808 8 HB2 LEU 2 HB2 LEU 2 4.002 1.031 3.074 9 HB3 LEU 2 HB3 LEU 2 3.403 1.977 4.449 10 HG LEU 2 HG LEU 2 3.034 -0.096 5.744 11 HD11 LEU 2 HD11 LEU 2 2.603 -1.668 3.888 12 HD12 LEU 2 HD12 LEU 2 4.283 -1.460 3.314 13 HD13 LEU 2 HD13 LEU 2 3.956 -2.234 4.880 14 HD21 LEU 2 HD21 LEU 2 5.404 -0.660 6.067 15 HD22 LEU 2 HD22 LEU 2 5.811 0.115 4.521 16 HD23 LEU 2 HD23 LEU 2 5.188 1.092 5.879 17 H PHE 3 H PHE 3 0.641 2.874 4.600 18 HA PHE 3 HA PHE 3 -0.003 1.557 6.966 19 HB2 PHE 3 HB2 PHE 3 -0.931 4.093 5.741 20 HB3 PHE 3 HB3 PHE 3 -1.782 3.445 7.143 21 HD1 PHE 3 HD1 PHE 3 1.335 5.003 6.005 22 HD2 PHE 3 HD2 PHE 3 -0.665 3.061 9.274 23 HE1 PHE 3 HE1 PHE 3 3.065 5.848 7.562 24 HE2 PHE 3 HE2 PHE 3 1.055 3.929 10.841 25 HZ PHE 3 HZ PHE 3 2.929 5.313 9.981 26 H ASP 4 H ASP 4 -1.860 1.369 3.988 27 HA ASP 4 HA ASP 4 -4.248 0.505 5.279 28 HB2 ASP 4 HB2 ASP 4 -3.161 -0.087 2.504 29 HB3 ASP 4 HB3 ASP 4 -4.773 -0.544 3.058 30 H ILE 5 H ILE 5 -1.246 -1.145 4.542 31 HA ILE 5 HA ILE 5 -2.291 -3.807 5.149 32 HB ILE 5 HB ILE 5 0.494 -2.672 4.731 33 HG12 ILE 5 HG12 ILE 5 -1.263 -4.471 2.997 34 HG13 ILE 5 HG13 ILE 5 -1.064 -2.729 2.761 35 HG21 ILE 5 HG21 ILE 5 -0.366 -5.577 5.076 36 HG22 ILE 5 HG22 ILE 5 1.264 -5.011 4.653 37 HG23 ILE 5 HG23 ILE 5 0.590 -4.626 6.241 38 HD11 ILE 5 HD11 ILE 5 1.133 -4.824 2.559 39 HD12 ILE 5 HD12 ILE 5 0.391 -3.917 1.226 40 HD13 ILE 5 HD13 ILE 5 1.378 -3.061 2.425 41 H VAL 6 H VAL 6 -0.506 -1.193 6.836 42 HA VAL 6 HA VAL 6 0.130 -2.719 9.163 43 HB VAL 6 HB VAL 6 -0.341 0.274 8.845 44 HG11 VAL 6 HG11 VAL 6 -0.410 -0.423 11.216 45 HG12 VAL 6 HG12 VAL 6 1.123 -1.302 11.004 46 HG13 VAL 6 HG13 VAL 6 1.081 0.470 10.864 47 HG21 VAL 6 HG21 VAL 6 1.439 -0.610 7.355 48 HG22 VAL 6 HG22 VAL 6 2.118 0.384 8.665 49 HG23 VAL 6 HG23 VAL 6 2.221 -1.387 8.750 50 H LYS 7 H LYS 7 -2.723 -0.691 8.326 51 HA LYS 7 HA LYS 7 -3.995 -1.081 10.890 52 HB2 LYS 7 HB2 LYS 7 -5.139 -0.315 8.174 53 HB3 LYS 7 HB3 LYS 7 -6.027 -0.242 9.698 54 HG2 LYS 7 HG2 LYS 7 -3.518 1.353 9.035 55 HG3 LYS 7 HG3 LYS 7 -5.173 1.967 9.071 56 HD2 LYS 7 HD2 LYS 7 -5.310 1.358 11.505 57 HD3 LYS 7 HD3 LYS 7 -3.588 0.897 11.446 58 HE2 LYS 7 HE2 LYS 7 -3.009 3.185 10.690 59 HE3 LYS 7 HE3 LYS 7 -4.715 3.642 10.763 60 HZ1 LYS 7 HZ1 LYS 7 -4.683 3.156 13.119 61 HZ2 LYS 7 HZ2 LYS 7 -3.097 2.743 13.054 62 HZ3 LYS 7 HZ3 LYS 7 -3.563 4.295 12.745 63 H LYS 8 H LYS 8 -3.833 -3.012 7.946 64 HA LYS 8 HA LYS 8 -6.083 -4.697 8.595 65 HB2 LYS 8 HB2 LYS 8 -5.264 -4.442 6.311 66 HB3 LYS 8 HB3 LYS 8 -3.677 -5.083 6.773 67 HG2 LYS 8 HG2 LYS 8 -4.673 -7.266 7.305 68 HG3 LYS 8 HG3 LYS 8 -6.292 -6.629 6.924 69 HD2 LYS 8 HD2 LYS 8 -5.566 -6.155 4.609 70 HD3 LYS 8 HD3 LYS 8 -3.954 -6.804 4.970 71 HE2 LYS 8 HE2 LYS 8 -6.578 -8.343 5.126 72 HE3 LYS 8 HE3 LYS 8 -5.406 -8.445 3.801 73 HZ1 LYS 8 HZ1 LYS 8 -5.128 -10.238 5.352 74 HZ2 LYS 8 HZ2 LYS 8 -3.795 -9.274 5.385 75 HZ3 LYS 8 HZ3 LYS 8 -4.899 -9.198 6.601 76 H VAL 9 H VAL 9 -2.620 -4.695 9.424 77 HA VAL 9 HA VAL 9 -2.658 -7.371 10.573 78 HB VAL 9 HB VAL 9 -0.759 -4.992 10.740 79 HG11 VAL 9 HG11 VAL 9 -0.429 -7.778 11.923 80 HG12 VAL 9 HG12 VAL 9 0.860 -6.559 11.787 81 HG13 VAL 9 HG13 VAL 9 -0.541 -6.254 12.831 82 HG21 VAL 9 HG21 VAL 9 -0.544 -7.731 9.410 83 HG22 VAL 9 HG22 VAL 9 -0.883 -6.207 8.563 84 HG23 VAL 9 HG23 VAL 9 0.683 -6.445 9.364 85 H VAL 10 H VAL 10 -3.108 -4.017 11.761 86 HA VAL 10 HA VAL 10 -3.257 -4.755 14.555 87 HB VAL 10 HB VAL 10 -4.206 -2.351 12.944 88 HG11 VAL 10 HG11 VAL 10 -4.180 -2.741 15.969 89 HG12 VAL 10 HG12 VAL 10 -4.448 -1.193 15.134 90 HG13 VAL 10 HG13 VAL 10 -5.617 -2.513 14.951 91 HG21 VAL 10 HG21 VAL 10 -1.748 -2.694 13.133 92 HG22 VAL 10 HG22 VAL 10 -2.285 -1.254 14.034 93 HG23 VAL 10 HG23 VAL 10 -1.903 -2.755 14.902 94 H GLY 11 H GLY 11 -5.540 -4.704 11.834 95 HA2 GLY 11 HA2 GLY 11 -7.965 -4.832 13.318 96 HA3 GLY 11 HA3 GLY 11 -7.704 -5.412 11.659 97 H ALA 12 H ALA 12 -5.528 -7.295 12.533 98 HA ALA 12 HA ALA 12 -7.172 -9.575 13.169 99 HB1 ALA 12 HB1 ALA 12 -4.141 -9.238 13.184 100 HB2 ALA 12 HB2 ALA 12 -5.027 -10.776 13.168 101 HB3 ALA 12 HB3 ALA 12 -5.124 -9.684 11.768 102 H LEU 13 H LEU 13 -5.298 -7.256 15.042 103 HA LEU 13 HA LEU 13 -5.325 -8.875 17.477 104 HB2 LEU 13 HB2 LEU 13 -4.633 -5.937 17.101 105 HB3 LEU 13 HB3 LEU 13 -4.229 -6.947 18.487 106 HG LEU 13 HG LEU 13 -3.187 -7.336 15.645 107 HD11 LEU 13 HD11 LEU 13 -2.302 -5.322 16.766 108 HD12 LEU 13 HD12 LEU 13 -1.834 -6.301 18.173 109 HD13 LEU 13 HD13 LEU 13 -1.049 -6.576 16.605 110 HD21 LEU 13 HD21 LEU 13 -1.630 -8.953 16.699 111 HD22 LEU 13 HD22 LEU 13 -2.466 -8.740 18.257 112 HD23 LEU 13 HD23 LEU 13 -3.317 -9.475 16.874 113 H GLY 14 H GLY 14 -7.788 -7.474 15.871 114 HA2 GLY 14 HA2 GLY 14 -9.940 -7.011 16.605 115 HA3 GLY 14 HA3 GLY 14 -9.382 -7.087 18.290 116 HN1 NH2 15 HN1 NH2 15 -7.306 -5.062 16.500 117 HN2 NH2 15 HN2 NH2 15 -8.034 -3.526 16.930 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 3.807 3.425 -0.419 2 H2 GLY 1 H2 GLY 1 2.703 4.588 -0.798 3 H3 GLY 1 H3 GLY 1 2.284 2.994 -0.875 4 HA2 GLY 1 HA2 GLY 1 2.984 4.478 1.561 5 HA3 GLY 1 HA3 GLY 1 1.345 3.997 1.075 6 H LEU 2 H LEU 2 1.631 3.034 3.365 7 HA LEU 2 HA LEU 2 2.131 0.163 3.030 8 HB2 LEU 2 HB2 LEU 2 4.366 1.022 3.631 9 HB3 LEU 2 HB3 LEU 2 3.665 1.876 5.021 10 HG LEU 2 HG LEU 2 3.042 -0.266 6.060 11 HD11 LEU 2 HD11 LEU 2 2.731 -1.652 4.034 12 HD12 LEU 2 HD12 LEU 2 4.470 -1.507 3.668 13 HD13 LEU 2 HD13 LEU 2 3.928 -2.385 5.118 14 HD21 LEU 2 HD21 LEU 2 5.946 -0.152 5.160 15 HD22 LEU 2 HD22 LEU 2 5.242 0.764 6.509 16 HD23 LEU 2 HD23 LEU 2 5.320 -1.011 6.590 17 H PHE 3 H PHE 3 0.979 2.924 4.981 18 HA PHE 3 HA PHE 3 0.033 1.435 7.132 19 HB2 PHE 3 HB2 PHE 3 -0.612 4.139 6.108 20 HB3 PHE 3 HB3 PHE 3 -1.632 3.421 7.353 21 HD1 PHE 3 HD1 PHE 3 -0.707 2.670 9.492 22 HD2 PHE 3 HD2 PHE 3 1.652 4.890 6.672 23 HE1 PHE 3 HE1 PHE 3 0.908 3.245 11.299 24 HE2 PHE 3 HE2 PHE 3 3.264 5.467 8.467 25 HZ PHE 3 HZ PHE 3 2.894 4.645 10.783 26 H ASP 4 H ASP 4 -1.537 1.656 4.010 27 HA ASP 4 HA ASP 4 -4.089 0.860 4.964 28 HB2 ASP 4 HB2 ASP 4 -2.744 0.410 2.278 29 HB3 ASP 4 HB3 ASP 4 -4.434 0.009 2.617 30 H ILE 5 H ILE 5 -1.139 -0.950 4.417 31 HA ILE 5 HA ILE 5 -2.415 -3.563 4.711 32 HB ILE 5 HB ILE 5 0.479 -2.625 4.697 33 HG12 ILE 5 HG12 ILE 5 -1.182 -4.098 2.608 34 HG13 ILE 5 HG13 ILE 5 -0.812 -2.366 2.579 35 HG21 ILE 5 HG21 ILE 5 1.094 -4.999 4.501 36 HG22 ILE 5 HG22 ILE 5 0.243 -4.699 6.019 37 HG23 ILE 5 HG23 ILE 5 -0.621 -5.464 4.666 38 HD11 ILE 5 HD11 ILE 5 1.616 -2.882 2.502 39 HD12 ILE 5 HD12 ILE 5 1.231 -4.620 2.418 40 HD13 ILE 5 HD13 ILE 5 0.723 -3.530 1.107 41 H VAL 6 H VAL 6 -0.648 -1.209 6.753 42 HA VAL 6 HA VAL 6 -0.257 -2.936 8.977 43 HB VAL 6 HB VAL 6 -0.545 0.092 8.878 44 HG11 VAL 6 HG11 VAL 6 0.805 0.020 10.964 45 HG12 VAL 6 HG12 VAL 6 -0.783 -0.742 11.178 46 HG13 VAL 6 HG13 VAL 6 0.672 -1.751 10.982 47 HG21 VAL 6 HG21 VAL 6 1.241 -0.766 7.409 48 HG22 VAL 6 HG22 VAL 6 1.921 0.064 8.824 49 HG23 VAL 6 HG23 VAL 6 1.910 -1.713 8.758 50 H LYS 7 H LYS 7 -3.056 -0.882 8.049 51 HA LYS 7 HA LYS 7 -4.396 -1.160 10.567 52 HB2 LYS 7 HB2 LYS 7 -5.491 -0.657 7.776 53 HB3 LYS 7 HB3 LYS 7 -6.432 -0.518 9.270 54 HG2 LYS 7 HG2 LYS 7 -3.979 1.148 8.564 55 HG3 LYS 7 HG3 LYS 7 -5.664 1.680 8.507 56 HD2 LYS 7 HD2 LYS 7 -5.841 1.233 10.974 57 HD3 LYS 7 HD3 LYS 7 -4.097 0.858 10.986 58 HE2 LYS 7 HE2 LYS 7 -3.598 3.093 10.092 59 HE3 LYS 7 HE3 LYS 7 -5.323 3.487 10.078 60 HZ1 LYS 7 HZ1 LYS 7 -3.741 2.821 12.476 61 HZ2 LYS 7 HZ2 LYS 7 -4.225 4.328 12.037 62 HZ3 LYS 7 HZ3 LYS 7 -5.341 3.200 12.463 63 H LYS 8 H LYS 8 -4.073 -3.341 7.811 64 HA LYS 8 HA LYS 8 -6.273 -5.057 8.641 65 HB2 LYS 8 HB2 LYS 8 -3.910 -5.616 6.800 66 HB3 LYS 8 HB3 LYS 8 -5.377 -6.601 6.968 67 HG2 LYS 8 HG2 LYS 8 -6.754 -4.704 6.182 68 HG3 LYS 8 HG3 LYS 8 -5.298 -3.697 6.040 69 HD2 LYS 8 HD2 LYS 8 -4.350 -5.328 4.412 70 HD3 LYS 8 HD3 LYS 8 -5.852 -6.268 4.497 71 HE2 LYS 8 HE2 LYS 8 -5.619 -3.364 3.608 72 HE3 LYS 8 HE3 LYS 8 -5.804 -4.750 2.524 73 HZ1 LYS 8 HZ1 LYS 8 -7.903 -3.694 2.929 74 HZ2 LYS 8 HZ2 LYS 8 -7.919 -5.204 3.571 75 HZ3 LYS 8 HZ3 LYS 8 -7.758 -3.894 4.552 76 H VAL 9 H VAL 9 -2.812 -4.785 9.362 77 HA VAL 9 HA VAL 9 -2.609 -7.405 10.608 78 HB VAL 9 HB VAL 9 -0.874 -4.900 10.724 79 HG11 VAL 9 HG11 VAL 9 -0.314 -7.712 11.741 80 HG12 VAL 9 HG12 VAL 9 0.880 -6.402 11.621 81 HG13 VAL 9 HG13 VAL 9 -0.493 -6.246 12.736 82 HG21 VAL 9 HG21 VAL 9 0.595 -6.177 9.214 83 HG22 VAL 9 HG22 VAL 9 -0.555 -7.533 9.216 84 HG23 VAL 9 HG23 VAL 9 -1.019 -5.977 8.495 85 H VAL 10 H VAL 10 -3.154 -4.038 11.715 86 HA VAL 10 HA VAL 10 -3.247 -4.685 14.520 87 HB VAL 10 HB VAL 10 -4.347 -2.372 12.870 88 HG11 VAL 10 HG11 VAL 10 -4.133 -2.660 15.898 89 HG12 VAL 10 HG12 VAL 10 -4.505 -1.155 15.021 90 HG13 VAL 10 HG13 VAL 10 -5.633 -2.522 14.959 91 HG21 VAL 10 HG21 VAL 10 -1.910 -2.633 14.679 92 HG22 VAL 10 HG22 VAL 10 -1.874 -2.587 12.905 93 HG23 VAL 10 HG23 VAL 10 -2.413 -1.164 13.816 94 H GLY 11 H GLY 11 -5.583 -4.823 11.846 95 HA2 GLY 11 HA2 GLY 11 -7.975 -4.949 13.379 96 HA3 GLY 11 HA3 GLY 11 -7.723 -5.610 11.749 97 H ALA 12 H ALA 12 -5.497 -7.402 12.636 98 HA ALA 12 HA ALA 12 -7.075 -9.664 13.434 99 HB1 ALA 12 HB1 ALA 12 -4.056 -9.258 13.375 100 HB2 ALA 12 HB2 ALA 12 -4.899 -10.820 13.451 101 HB3 ALA 12 HB3 ALA 12 -5.049 -9.795 12.001 102 H LEU 13 H LEU 13 -5.184 -7.235 15.159 103 HA LEU 13 HA LEU 13 -5.160 -8.722 17.669 104 HB2 LEU 13 HB2 LEU 13 -4.551 -5.797 17.141 105 HB3 LEU 13 HB3 LEU 13 -4.088 -6.736 18.566 106 HG LEU 13 HG LEU 13 -3.099 -7.207 15.716 107 HD11 LEU 13 HD11 LEU 13 -1.722 -6.081 18.187 108 HD12 LEU 13 HD12 LEU 13 -0.950 -6.388 16.613 109 HD13 LEU 13 HD13 LEU 13 -2.219 -5.149 16.753 110 HD21 LEU 13 HD21 LEU 13 -2.315 -8.519 18.357 111 HD22 LEU 13 HD22 LEU 13 -3.180 -9.305 17.012 112 HD23 LEU 13 HD23 LEU 13 -1.500 -8.772 16.799 113 H GLY 14 H GLY 14 -7.664 -7.416 16.019 114 HA2 GLY 14 HA2 GLY 14 -9.817 -6.972 16.736 115 HA3 GLY 14 HA3 GLY 14 -9.264 -6.971 18.422 116 HN1 NH2 15 HN1 NH2 15 -7.229 -4.975 16.562 117 HN2 NH2 15 HN2 NH2 15 -7.984 -3.438 16.929 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 1.292 2.336 -1.336 2 H2 GLY 1 H2 GLY 1 2.769 3.002 -1.056 3 H3 GLY 1 H3 GLY 1 1.501 3.963 -1.486 4 HA2 GLY 1 HA2 GLY 1 1.953 4.185 0.846 5 HA3 GLY 1 HA3 GLY 1 0.351 3.481 0.548 6 H LEU 2 H LEU 2 1.012 2.921 2.939 7 HA LEU 2 HA LEU 2 1.743 0.073 2.924 8 HB2 LEU 2 HB2 LEU 2 3.915 1.206 3.151 9 HB3 LEU 2 HB3 LEU 2 3.287 2.167 4.495 10 HG LEU 2 HG LEU 2 2.992 0.134 5.860 11 HD11 LEU 2 HD11 LEU 2 2.611 -1.527 4.071 12 HD12 LEU 2 HD12 LEU 2 4.271 -1.276 3.468 13 HD13 LEU 2 HD13 LEU 2 3.996 -2.001 5.068 14 HD21 LEU 2 HD21 LEU 2 5.102 1.396 5.946 15 HD22 LEU 2 HD22 LEU 2 5.384 -0.344 6.180 16 HD23 LEU 2 HD23 LEU 2 5.758 0.408 4.617 17 H PHE 3 H PHE 3 0.458 2.949 4.575 18 HA PHE 3 HA PHE 3 -0.143 1.742 7.016 19 HB2 PHE 3 HB2 PHE 3 -1.220 4.136 5.607 20 HB3 PHE 3 HB3 PHE 3 -2.022 3.547 7.061 21 HD1 PHE 3 HD1 PHE 3 -0.886 3.424 9.203 22 HD2 PHE 3 HD2 PHE 3 0.993 5.184 5.766 23 HE1 PHE 3 HE1 PHE 3 0.778 4.533 10.681 24 HE2 PHE 3 HE2 PHE 3 2.662 6.287 7.233 25 HZ PHE 3 HZ PHE 3 2.549 5.969 9.695 26 H ASP 4 H ASP 4 -1.943 1.318 4.034 27 HA ASP 4 HA ASP 4 -4.293 0.388 5.369 28 HB2 ASP 4 HB2 ASP 4 -3.238 -0.114 2.571 29 HB3 ASP 4 HB3 ASP 4 -4.813 -0.679 3.153 30 H ILE 5 H ILE 5 -1.243 -1.138 4.570 31 HA ILE 5 HA ILE 5 -2.189 -3.849 5.120 32 HB ILE 5 HB ILE 5 0.565 -2.618 4.718 33 HG12 ILE 5 HG12 ILE 5 -1.192 -4.354 2.923 34 HG13 ILE 5 HG13 ILE 5 -0.957 -2.610 2.755 35 HG21 ILE 5 HG21 ILE 5 0.701 -4.635 6.152 36 HG22 ILE 5 HG22 ILE 5 -0.224 -5.551 4.938 37 HG23 ILE 5 HG23 ILE 5 1.405 -4.930 4.563 38 HD11 ILE 5 HD11 ILE 5 1.186 -4.755 2.455 39 HD12 ILE 5 HD12 ILE 5 0.483 -3.752 1.178 40 HD13 ILE 5 HD13 ILE 5 1.495 -2.997 2.426 41 H VAL 6 H VAL 6 -0.435 -1.242 6.848 42 HA VAL 6 HA VAL 6 0.223 -2.820 9.151 43 HB VAL 6 HB VAL 6 -0.198 0.174 8.786 44 HG11 VAL 6 HG11 VAL 6 -0.410 -0.411 11.166 45 HG12 VAL 6 HG12 VAL 6 1.104 -1.345 11.085 46 HG13 VAL 6 HG13 VAL 6 1.129 0.417 10.864 47 HG21 VAL 6 HG21 VAL 6 2.269 0.224 8.695 48 HG22 VAL 6 HG22 VAL 6 2.316 -1.547 8.884 49 HG23 VAL 6 HG23 VAL 6 1.622 -0.830 7.418 50 H LYS 7 H LYS 7 -2.600 -0.755 8.299 51 HA LYS 7 HA LYS 7 -3.917 -1.101 10.831 52 HB2 LYS 7 HB2 LYS 7 -4.884 -0.277 8.079 53 HB3 LYS 7 HB3 LYS 7 -5.913 -0.280 9.526 54 HG2 LYS 7 HG2 LYS 7 -4.484 1.324 10.649 55 HG3 LYS 7 HG3 LYS 7 -3.265 1.215 9.374 56 HD2 LYS 7 HD2 LYS 7 -4.565 3.267 9.107 57 HD3 LYS 7 HD3 LYS 7 -4.825 2.180 7.739 58 HE2 LYS 7 HE2 LYS 7 -6.940 3.178 8.444 59 HE3 LYS 7 HE3 LYS 7 -6.972 1.435 8.741 60 HZ1 LYS 7 HZ1 LYS 7 -6.473 1.893 11.053 61 HZ2 LYS 7 HZ2 LYS 7 -6.435 3.511 10.759 62 HZ3 LYS 7 HZ3 LYS 7 -7.838 2.677 10.594 63 H LYS 8 H LYS 8 -3.752 -3.061 7.901 64 HA LYS 8 HA LYS 8 -6.039 -4.714 8.535 65 HB2 LYS 8 HB2 LYS 8 -5.203 -4.488 6.268 66 HB3 LYS 8 HB3 LYS 8 -3.622 -5.149 6.746 67 HG2 LYS 8 HG2 LYS 8 -4.649 -7.309 7.288 68 HG3 LYS 8 HG3 LYS 8 -6.261 -6.665 6.912 69 HD2 LYS 8 HD2 LYS 8 -5.551 -6.262 4.571 70 HD3 LYS 8 HD3 LYS 8 -3.922 -6.858 4.962 71 HE2 LYS 8 HE2 LYS 8 -5.227 -8.616 3.855 72 HE3 LYS 8 HE3 LYS 8 -4.866 -9.068 5.527 73 HZ1 LYS 8 HZ1 LYS 8 -7.083 -8.391 6.128 74 HZ2 LYS 8 HZ2 LYS 8 -7.418 -7.935 4.581 75 HZ3 LYS 8 HZ3 LYS 8 -7.147 -9.512 4.934 76 H VAL 9 H VAL 9 -2.580 -4.761 9.407 77 HA VAL 9 HA VAL 9 -2.692 -7.441 10.545 78 HB VAL 9 HB VAL 9 -0.730 -5.117 10.728 79 HG11 VAL 9 HG11 VAL 9 -0.481 -7.928 11.874 80 HG12 VAL 9 HG12 VAL 9 0.843 -6.742 11.747 81 HG13 VAL 9 HG13 VAL 9 -0.540 -6.413 12.807 82 HG21 VAL 9 HG21 VAL 9 -0.889 -6.288 8.541 83 HG22 VAL 9 HG22 VAL 9 0.674 -6.589 9.329 84 HG23 VAL 9 HG23 VAL 9 -0.586 -7.839 9.356 85 H VAL 10 H VAL 10 -3.008 -4.070 11.758 86 HA VAL 10 HA VAL 10 -3.198 -4.817 14.538 87 HB VAL 10 HB VAL 10 -4.086 -2.375 12.949 88 HG11 VAL 10 HG11 VAL 10 -5.476 -2.503 14.977 89 HG12 VAL 10 HG12 VAL 10 -4.024 -2.784 15.969 90 HG13 VAL 10 HG13 VAL 10 -4.256 -1.226 15.146 91 HG21 VAL 10 HG21 VAL 10 -2.111 -1.337 14.010 92 HG22 VAL 10 HG22 VAL 10 -1.775 -2.850 14.881 93 HG23 VAL 10 HG23 VAL 10 -1.630 -2.787 13.109 94 H GLY 11 H GLY 11 -5.490 -4.682 11.827 95 HA2 GLY 11 HA2 GLY 11 -7.911 -4.729 13.314 96 HA3 GLY 11 HA3 GLY 11 -7.677 -5.318 11.656 97 H ALA 12 H ALA 12 -5.555 -7.276 12.530 98 HA ALA 12 HA ALA 12 -7.302 -9.485 13.152 99 HB1 ALA 12 HB1 ALA 12 -5.293 -9.687 11.736 100 HB2 ALA 12 HB2 ALA 12 -4.265 -9.280 13.141 101 HB3 ALA 12 HB3 ALA 12 -5.214 -10.785 13.133 102 H LEU 13 H LEU 13 -5.331 -7.257 15.027 103 HA LEU 13 HA LEU 13 -5.395 -8.888 17.452 104 HB2 LEU 13 HB2 LEU 13 -4.622 -5.966 17.090 105 HB3 LEU 13 HB3 LEU 13 -4.242 -7.000 18.469 106 HG LEU 13 HG LEU 13 -3.217 -7.403 15.623 107 HD11 LEU 13 HD11 LEU 13 -1.833 -6.423 18.151 108 HD12 LEU 13 HD12 LEU 13 -1.058 -6.713 16.571 109 HD13 LEU 13 HD13 LEU 13 -2.270 -5.428 16.744 110 HD21 LEU 13 HD21 LEU 13 -3.419 -9.541 16.855 111 HD22 LEU 13 HD22 LEU 13 -1.718 -9.072 16.675 112 HD23 LEU 13 HD23 LEU 13 -2.543 -8.835 18.235 113 H GLY 14 H GLY 14 -7.828 -7.400 15.877 114 HA2 GLY 14 HA2 GLY 14 -9.958 -6.916 16.628 115 HA3 GLY 14 HA3 GLY 14 -9.401 -7.003 18.309 116 HN1 NH2 15 HN1 NH2 15 -7.312 -5.006 16.479 117 HN2 NH2 15 HN2 NH2 15 -8.000 -3.458 16.927 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 2.633 4.476 -0.903 2 H2 GLY 1 H2 GLY 1 2.296 2.868 -1.022 3 H3 GLY 1 H3 GLY 1 3.757 3.366 -0.439 4 HA2 GLY 1 HA2 GLY 1 2.724 4.349 1.474 5 HA3 GLY 1 HA3 GLY 1 1.153 3.819 0.847 6 H LEU 2 H LEU 2 1.553 2.940 3.272 7 HA LEU 2 HA LEU 2 1.982 0.052 2.949 8 HB2 LEU 2 HB2 LEU 2 4.257 0.890 3.419 9 HB3 LEU 2 HB3 LEU 2 3.645 1.761 4.835 10 HG LEU 2 HG LEU 2 3.050 -0.359 5.927 11 HD11 LEU 2 HD11 LEU 2 3.874 -2.497 4.947 12 HD12 LEU 2 HD12 LEU 2 2.608 -1.764 3.944 13 HD13 LEU 2 HD13 LEU 2 4.317 -1.628 3.458 14 HD21 LEU 2 HD21 LEU 2 5.896 -0.271 4.859 15 HD22 LEU 2 HD22 LEU 2 5.281 0.632 6.265 16 HD23 LEU 2 HD23 LEU 2 5.355 -1.141 6.318 17 H PHE 3 H PHE 3 0.969 2.855 4.917 18 HA PHE 3 HA PHE 3 0.130 1.403 7.142 19 HB2 PHE 3 HB2 PHE 3 -0.570 4.106 6.107 20 HB3 PHE 3 HB3 PHE 3 -1.491 3.416 7.441 21 HD1 PHE 3 HD1 PHE 3 -0.417 2.742 9.536 22 HD2 PHE 3 HD2 PHE 3 1.723 4.857 6.474 23 HE1 PHE 3 HE1 PHE 3 1.352 3.336 11.187 24 HE2 PHE 3 HE2 PHE 3 3.478 5.472 8.128 25 HZ PHE 3 HZ PHE 3 3.292 4.708 10.479 26 H ASP 4 H ASP 4 -1.595 1.644 4.104 27 HA ASP 4 HA ASP 4 -4.101 0.866 5.204 28 HB2 ASP 4 HB2 ASP 4 -2.938 0.466 2.425 29 HB3 ASP 4 HB3 ASP 4 -4.607 0.073 2.871 30 H ILE 5 H ILE 5 -1.211 -0.972 4.458 31 HA ILE 5 HA ILE 5 -2.517 -3.566 4.811 32 HB ILE 5 HB ILE 5 0.383 -2.666 4.657 33 HG12 ILE 5 HG12 ILE 5 -1.379 -4.162 2.664 34 HG13 ILE 5 HG13 ILE 5 -1.006 -2.435 2.586 35 HG21 ILE 5 HG21 ILE 5 0.213 -4.713 6.013 36 HG22 ILE 5 HG22 ILE 5 -0.759 -5.488 4.737 37 HG23 ILE 5 HG23 ILE 5 0.949 -5.075 4.450 38 HD11 ILE 5 HD11 ILE 5 0.461 -3.633 1.070 39 HD12 ILE 5 HD12 ILE 5 1.415 -2.958 2.402 40 HD13 ILE 5 HD13 ILE 5 1.023 -4.699 2.372 41 H VAL 6 H VAL 6 -0.643 -1.226 6.787 42 HA VAL 6 HA VAL 6 -0.268 -2.937 9.029 43 HB VAL 6 HB VAL 6 -0.555 0.096 8.927 44 HG11 VAL 6 HG11 VAL 6 0.713 -1.728 11.007 45 HG12 VAL 6 HG12 VAL 6 0.802 0.052 10.989 46 HG13 VAL 6 HG13 VAL 6 -0.759 -0.747 11.225 47 HG21 VAL 6 HG21 VAL 6 1.918 -1.684 8.775 48 HG22 VAL 6 HG22 VAL 6 1.231 -0.753 7.429 49 HG23 VAL 6 HG23 VAL 6 1.911 0.091 8.832 50 H LYS 7 H LYS 7 -3.038 -0.886 8.039 51 HA LYS 7 HA LYS 7 -4.467 -1.109 10.501 52 HB2 LYS 7 HB2 LYS 7 -5.081 -0.321 7.688 53 HB3 LYS 7 HB3 LYS 7 -6.448 -0.884 8.663 54 HG2 LYS 7 HG2 LYS 7 -6.292 1.502 8.921 55 HG3 LYS 7 HG3 LYS 7 -5.841 0.732 10.454 56 HD2 LYS 7 HD2 LYS 7 -3.437 1.065 9.903 57 HD3 LYS 7 HD3 LYS 7 -3.917 1.829 8.372 58 HE2 LYS 7 HE2 LYS 7 -3.407 3.548 10.025 59 HE3 LYS 7 HE3 LYS 7 -5.125 3.582 9.606 60 HZ1 LYS 7 HZ1 LYS 7 -3.991 2.329 12.020 61 HZ2 LYS 7 HZ2 LYS 7 -4.786 3.766 11.962 62 HZ3 LYS 7 HZ3 LYS 7 -5.587 2.371 11.621 63 H LYS 8 H LYS 8 -4.034 -3.378 7.827 64 HA LYS 8 HA LYS 8 -6.217 -5.103 8.707 65 HB2 LYS 8 HB2 LYS 8 -3.884 -5.608 6.813 66 HB3 LYS 8 HB3 LYS 8 -5.289 -6.669 7.027 67 HG2 LYS 8 HG2 LYS 8 -6.788 -4.854 6.251 68 HG3 LYS 8 HG3 LYS 8 -5.385 -3.785 6.038 69 HD2 LYS 8 HD2 LYS 8 -4.424 -5.371 4.395 70 HD3 LYS 8 HD3 LYS 8 -5.844 -6.427 4.593 71 HE2 LYS 8 HE2 LYS 8 -7.314 -4.578 3.832 72 HE3 LYS 8 HE3 LYS 8 -5.895 -3.534 3.629 73 HZ1 LYS 8 HZ1 LYS 8 -6.578 -4.543 1.565 74 HZ2 LYS 8 HZ2 LYS 8 -5.080 -5.071 1.979 75 HZ3 LYS 8 HZ3 LYS 8 -6.385 -6.052 2.184 76 H VAL 9 H VAL 9 -2.755 -4.772 9.357 77 HA VAL 9 HA VAL 9 -2.480 -7.369 10.638 78 HB VAL 9 HB VAL 9 -0.811 -4.815 10.690 79 HG11 VAL 9 HG11 VAL 9 -0.178 -7.574 11.806 80 HG12 VAL 9 HG12 VAL 9 0.993 -6.248 11.626 81 HG13 VAL 9 HG13 VAL 9 -0.372 -6.074 12.746 82 HG21 VAL 9 HG21 VAL 9 0.692 -6.104 9.220 83 HG22 VAL 9 HG22 VAL 9 -0.411 -7.490 9.281 84 HG23 VAL 9 HG23 VAL 9 -0.925 -5.974 8.498 85 H VAL 10 H VAL 10 -3.107 -3.999 11.712 86 HA VAL 10 HA VAL 10 -3.193 -4.656 14.527 87 HB VAL 10 HB VAL 10 -4.258 -2.323 12.876 88 HG11 VAL 10 HG11 VAL 10 -4.075 -2.646 15.900 89 HG12 VAL 10 HG12 VAL 10 -4.436 -1.125 15.051 90 HG13 VAL 10 HG13 VAL 10 -5.571 -2.483 14.954 91 HG21 VAL 10 HG21 VAL 10 -1.778 -2.567 12.961 92 HG22 VAL 10 HG22 VAL 10 -2.321 -1.136 13.862 93 HG23 VAL 10 HG23 VAL 10 -1.858 -2.619 14.733 94 H GLY 11 H GLY 11 -5.500 -4.754 11.825 95 HA2 GLY 11 HA2 GLY 11 -7.906 -4.865 13.338 96 HA3 GLY 11 HA3 GLY 11 -7.649 -5.515 11.700 97 H ALA 12 H ALA 12 -5.451 -7.336 12.578 98 HA ALA 12 HA ALA 12 -7.043 -9.607 13.324 99 HB1 ALA 12 HB1 ALA 12 -4.027 -9.186 13.322 100 HB2 ALA 12 HB2 ALA 12 -4.857 -10.756 13.387 101 HB3 ALA 12 HB3 ALA 12 -5.005 -9.746 11.936 102 H LEU 13 H LEU 13 -5.233 -7.185 15.125 103 HA LEU 13 HA LEU 13 -5.211 -8.731 17.602 104 HB2 LEU 13 HB2 LEU 13 -4.592 -5.788 17.142 105 HB3 LEU 13 HB3 LEU 13 -4.147 -6.751 18.551 106 HG LEU 13 HG LEU 13 -3.124 -7.203 15.711 107 HD11 LEU 13 HD11 LEU 13 -1.771 -6.093 18.203 108 HD12 LEU 13 HD12 LEU 13 -0.986 -6.381 16.630 109 HD13 LEU 13 HD13 LEU 13 -2.258 -5.146 16.779 110 HD21 LEU 13 HD21 LEU 13 -3.219 -9.301 16.993 111 HD22 LEU 13 HD22 LEU 13 -1.537 -8.762 16.800 112 HD23 LEU 13 HD23 LEU 13 -2.373 -8.526 18.355 113 H GLY 14 H GLY 14 -7.719 -7.444 15.975 114 HA2 GLY 14 HA2 GLY 14 -9.874 -7.045 16.697 115 HA3 GLY 14 HA3 GLY 14 -9.319 -7.025 18.384 116 HN1 NH2 15 HN1 NH2 15 -7.317 -5.003 16.515 117 HN2 NH2 15 HN2 NH2 15 -8.099 -3.474 16.863 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 1.496 2.246 -1.282 2 H2 GLY 1 H2 GLY 1 3.042 2.774 -1.052 3 H3 GLY 1 H3 GLY 1 1.858 3.848 -1.457 4 HA2 GLY 1 HA2 GLY 1 2.388 4.052 0.854 5 HA3 GLY 1 HA3 GLY 1 0.728 3.464 0.611 6 H LEU 2 H LEU 2 1.233 2.795 2.956 7 HA LEU 2 HA LEU 2 1.869 -0.067 2.926 8 HB2 LEU 2 HB2 LEU 2 4.086 0.969 3.238 9 HB3 LEU 2 HB3 LEU 2 3.444 1.952 4.568 10 HG LEU 2 HG LEU 2 3.015 -0.090 5.901 11 HD11 LEU 2 HD11 LEU 2 2.650 -1.706 4.072 12 HD12 LEU 2 HD12 LEU 2 4.345 -1.529 3.557 13 HD13 LEU 2 HD13 LEU 2 3.949 -2.258 5.132 14 HD21 LEU 2 HD21 LEU 2 5.171 1.083 6.103 15 HD22 LEU 2 HD22 LEU 2 5.383 -0.667 6.312 16 HD23 LEU 2 HD23 LEU 2 5.839 0.105 4.777 17 H PHE 3 H PHE 3 0.681 2.850 4.588 18 HA PHE 3 HA PHE 3 -0.024 1.620 6.992 19 HB2 PHE 3 HB2 PHE 3 -0.934 4.114 5.645 20 HB3 PHE 3 HB3 PHE 3 -1.773 3.522 7.079 21 HD1 PHE 3 HD1 PHE 3 -0.608 3.195 9.204 22 HD2 PHE 3 HD2 PHE 3 1.305 5.074 5.854 23 HE1 PHE 3 HE1 PHE 3 1.133 4.126 10.722 24 HE2 PHE 3 HE2 PHE 3 3.042 6.013 7.368 25 HZ PHE 3 HZ PHE 3 2.953 5.531 9.800 26 H ASP 4 H ASP 4 -1.789 1.342 3.980 27 HA ASP 4 HA ASP 4 -4.211 0.522 5.247 28 HB2 ASP 4 HB2 ASP 4 -3.101 -0.110 2.490 29 HB3 ASP 4 HB3 ASP 4 -4.731 -0.538 3.032 30 H ILE 5 H ILE 5 -1.208 -1.153 4.581 31 HA ILE 5 HA ILE 5 -2.300 -3.795 5.173 32 HB ILE 5 HB ILE 5 0.519 -2.699 4.846 33 HG12 ILE 5 HG12 ILE 5 -1.208 -4.458 3.058 34 HG13 ILE 5 HG13 ILE 5 -0.932 -2.726 2.820 35 HG21 ILE 5 HG21 ILE 5 -0.394 -5.584 5.179 36 HG22 ILE 5 HG22 ILE 5 1.264 -5.058 4.802 37 HG23 ILE 5 HG23 ILE 5 0.546 -4.646 6.364 38 HD11 ILE 5 HD11 ILE 5 0.549 -3.966 1.353 39 HD12 ILE 5 HD12 ILE 5 1.512 -3.154 2.601 40 HD13 ILE 5 HD13 ILE 5 1.192 -4.904 2.716 41 H VAL 6 H VAL 6 -0.553 -1.187 6.903 42 HA VAL 6 HA VAL 6 -0.008 -2.691 9.267 43 HB VAL 6 HB VAL 6 -0.468 0.297 8.883 44 HG11 VAL 6 HG11 VAL 6 0.854 -1.240 11.159 45 HG12 VAL 6 HG12 VAL 6 0.862 0.525 10.970 46 HG13 VAL 6 HG13 VAL 6 -0.668 -0.324 11.259 47 HG21 VAL 6 HG21 VAL 6 2.002 0.405 8.823 48 HG22 VAL 6 HG22 VAL 6 2.083 -1.369 8.948 49 HG23 VAL 6 HG23 VAL 6 1.375 -0.604 7.504 50 H LYS 7 H LYS 7 -2.838 -0.713 8.256 51 HA LYS 7 HA LYS 7 -4.241 -1.015 10.742 52 HB2 LYS 7 HB2 LYS 7 -5.197 -0.435 7.920 53 HB3 LYS 7 HB3 LYS 7 -6.238 -0.366 9.347 54 HG2 LYS 7 HG2 LYS 7 -3.731 1.318 8.916 55 HG3 LYS 7 HG3 LYS 7 -5.384 1.875 8.668 56 HD2 LYS 7 HD2 LYS 7 -4.169 0.976 11.320 57 HD3 LYS 7 HD3 LYS 7 -4.515 2.635 10.822 58 HE2 LYS 7 HE2 LYS 7 -6.922 2.072 10.629 59 HE3 LYS 7 HE3 LYS 7 -6.584 0.425 11.190 60 HZ1 LYS 7 HZ1 LYS 7 -6.085 2.893 12.715 61 HZ2 LYS 7 HZ2 LYS 7 -7.312 1.839 12.978 62 HZ3 LYS 7 HZ3 LYS 7 -5.763 1.368 13.247 63 H LYS 8 H LYS 8 -3.880 -3.116 7.927 64 HA LYS 8 HA LYS 8 -6.126 -4.825 8.614 65 HB2 LYS 8 HB2 LYS 8 -5.305 -4.599 6.327 66 HB3 LYS 8 HB3 LYS 8 -3.720 -5.245 6.800 67 HG2 LYS 8 HG2 LYS 8 -4.758 -7.384 7.453 68 HG3 LYS 8 HG3 LYS 8 -6.355 -6.765 7.001 69 HD2 LYS 8 HD2 LYS 8 -3.970 -7.101 5.129 70 HD3 LYS 8 HD3 LYS 8 -5.355 -8.198 5.231 71 HE2 LYS 8 HE2 LYS 8 -5.466 -5.264 4.419 72 HE3 LYS 8 HE3 LYS 8 -5.531 -6.643 3.319 73 HZ1 LYS 8 HZ1 LYS 8 -7.524 -6.059 5.404 74 HZ2 LYS 8 HZ2 LYS 8 -7.710 -5.825 3.793 75 HZ3 LYS 8 HZ3 LYS 8 -7.550 -7.349 4.388 76 H VAL 9 H VAL 9 -2.640 -4.738 9.375 77 HA VAL 9 HA VAL 9 -2.570 -7.377 10.586 78 HB VAL 9 HB VAL 9 -0.770 -4.926 10.694 79 HG11 VAL 9 HG11 VAL 9 -0.308 -7.682 11.910 80 HG12 VAL 9 HG12 VAL 9 0.923 -6.414 11.752 81 HG13 VAL 9 HG13 VAL 9 -0.480 -6.152 12.801 82 HG21 VAL 9 HG21 VAL 9 0.717 -6.336 9.317 83 HG22 VAL 9 HG22 VAL 9 -0.458 -7.668 9.400 84 HG23 VAL 9 HG23 VAL 9 -0.867 -6.170 8.539 85 H VAL 10 H VAL 10 -3.065 -4.003 11.758 86 HA VAL 10 HA VAL 10 -3.199 -4.755 14.548 87 HB VAL 10 HB VAL 10 -4.117 -2.317 12.967 88 HG11 VAL 10 HG11 VAL 10 -4.056 -2.736 15.985 89 HG12 VAL 10 HG12 VAL 10 -4.305 -1.177 15.158 90 HG13 VAL 10 HG13 VAL 10 -5.503 -2.473 14.980 91 HG21 VAL 10 HG21 VAL 10 -1.663 -2.708 13.112 92 HG22 VAL 10 HG22 VAL 10 -2.154 -1.266 14.028 93 HG23 VAL 10 HG23 VAL 10 -1.789 -2.785 14.881 94 H GLY 11 H GLY 11 -5.502 -4.643 11.840 95 HA2 GLY 11 HA2 GLY 11 -7.914 -4.733 13.346 96 HA3 GLY 11 HA3 GLY 11 -7.683 -5.309 11.684 97 H ALA 12 H ALA 12 -5.530 -7.241 12.485 98 HA ALA 12 HA ALA 12 -7.222 -9.488 13.112 99 HB1 ALA 12 HB1 ALA 12 -4.192 -9.191 13.054 100 HB2 ALA 12 HB2 ALA 12 -5.086 -10.727 13.059 101 HB3 ALA 12 HB3 ALA 12 -5.222 -9.626 11.669 102 H LEU 13 H LEU 13 -5.267 -7.249 14.998 103 HA LEU 13 HA LEU 13 -5.274 -8.925 17.387 104 HB2 LEU 13 HB2 LEU 13 -4.585 -5.980 17.084 105 HB3 LEU 13 HB3 LEU 13 -4.164 -7.031 18.441 106 HG LEU 13 HG LEU 13 -3.154 -7.341 15.573 107 HD11 LEU 13 HD11 LEU 13 -1.001 -6.626 16.521 108 HD12 LEU 13 HD12 LEU 13 -2.237 -5.373 16.754 109 HD13 LEU 13 HD13 LEU 13 -1.753 -6.414 18.117 110 HD21 LEU 13 HD21 LEU 13 -3.292 -9.512 16.722 111 HD22 LEU 13 HD22 LEU 13 -1.601 -9.004 16.570 112 HD23 LEU 13 HD23 LEU 13 -2.435 -8.838 18.130 113 H GLY 14 H GLY 14 -7.746 -7.427 15.853 114 HA2 GLY 14 HA2 GLY 14 -9.886 -7.002 16.616 115 HA3 GLY 14 HA3 GLY 14 -9.327 -7.154 18.291 116 HN1 NH2 15 HN1 NH2 15 -7.282 -5.050 16.518 117 HN2 NH2 15 HN2 NH2 15 -7.987 -3.532 17.029 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 1.774 3.415 -1.832 2 H2 GLY 1 H2 GLY 1 1.488 1.801 -1.634 3 H3 GLY 1 H3 GLY 1 2.977 2.427 -1.301 4 HA2 GLY 1 HA2 GLY 1 2.124 3.698 0.512 5 HA3 GLY 1 HA3 GLY 1 0.510 3.039 0.169 6 H LEU 2 H LEU 2 1.178 2.580 2.639 7 HA LEU 2 HA LEU 2 1.679 -0.313 2.738 8 HB2 LEU 2 HB2 LEU 2 3.950 0.647 2.844 9 HB3 LEU 2 HB3 LEU 2 3.438 1.716 4.160 10 HG LEU 2 HG LEU 2 3.023 -0.235 5.618 11 HD11 LEU 2 HD11 LEU 2 4.131 -1.831 3.267 12 HD12 LEU 2 HD12 LEU 2 3.848 -2.472 4.900 13 HD13 LEU 2 HD13 LEU 2 2.471 -1.929 3.913 14 HD21 LEU 2 HD21 LEU 2 5.228 0.865 5.609 15 HD22 LEU 2 HD22 LEU 2 5.373 -0.876 5.925 16 HD23 LEU 2 HD23 LEU 2 5.769 -0.229 4.315 17 H PHE 3 H PHE 3 0.664 2.731 4.290 18 HA PHE 3 HA PHE 3 0.100 1.659 6.798 19 HB2 PHE 3 HB2 PHE 3 -0.826 4.100 5.378 20 HB3 PHE 3 HB3 PHE 3 -1.607 3.605 6.884 21 HD1 PHE 3 HD1 PHE 3 -0.360 3.385 8.964 22 HD2 PHE 3 HD2 PHE 3 1.460 4.965 5.412 23 HE1 PHE 3 HE1 PHE 3 1.476 4.356 10.339 24 HE2 PHE 3 HE2 PHE 3 3.295 5.928 6.780 25 HZ PHE 3 HZ PHE 3 3.299 5.636 9.241 26 H ASP 4 H ASP 4 -1.856 1.285 3.919 27 HA ASP 4 HA ASP 4 -4.210 0.574 5.357 28 HB2 ASP 4 HB2 ASP 4 -3.275 -0.145 2.559 29 HB3 ASP 4 HB3 ASP 4 -4.862 -0.588 3.212 30 H ILE 5 H ILE 5 -1.293 -1.198 4.585 31 HA ILE 5 HA ILE 5 -2.398 -3.792 5.363 32 HB ILE 5 HB ILE 5 0.398 -2.779 4.745 33 HG12 ILE 5 HG12 ILE 5 -1.467 -4.676 3.250 34 HG13 ILE 5 HG13 ILE 5 -1.260 -2.959 2.877 35 HG21 ILE 5 HG21 ILE 5 1.121 -5.141 4.812 36 HG22 ILE 5 HG22 ILE 5 0.554 -4.603 6.394 37 HG23 ILE 5 HG23 ILE 5 -0.502 -5.616 5.376 38 HD11 ILE 5 HD11 ILE 5 0.102 -4.276 1.363 39 HD12 ILE 5 HD12 ILE 5 1.166 -3.360 2.453 40 HD13 ILE 5 HD13 ILE 5 0.893 -5.105 2.716 41 H VAL 6 H VAL 6 -0.520 -1.137 6.859 42 HA VAL 6 HA VAL 6 0.161 -2.556 9.248 43 HB VAL 6 HB VAL 6 -0.302 0.413 8.768 44 HG11 VAL 6 HG11 VAL 6 -0.392 -0.107 11.176 45 HG12 VAL 6 HG12 VAL 6 1.118 -1.033 11.039 46 HG13 VAL 6 HG13 VAL 6 1.124 0.725 10.778 47 HG21 VAL 6 HG21 VAL 6 2.150 0.508 8.581 48 HG22 VAL 6 HG22 VAL 6 2.250 -1.252 8.792 49 HG23 VAL 6 HG23 VAL 6 1.465 -0.571 7.345 50 H LYS 7 H LYS 7 -2.719 -0.588 8.342 51 HA LYS 7 HA LYS 7 -3.984 -0.901 10.911 52 HB2 LYS 7 HB2 LYS 7 -5.085 -0.238 8.149 53 HB3 LYS 7 HB3 LYS 7 -6.025 -0.150 9.644 54 HG2 LYS 7 HG2 LYS 7 -3.506 1.461 9.029 55 HG3 LYS 7 HG3 LYS 7 -5.164 2.065 8.953 56 HD2 LYS 7 HD2 LYS 7 -3.711 1.085 11.450 57 HD3 LYS 7 HD3 LYS 7 -4.065 2.761 11.037 58 HE2 LYS 7 HE2 LYS 7 -6.143 0.597 11.564 59 HE3 LYS 7 HE3 LYS 7 -5.646 1.861 12.700 60 HZ1 LYS 7 HZ1 LYS 7 -6.930 2.330 10.095 61 HZ2 LYS 7 HZ2 LYS 7 -7.647 2.469 11.572 62 HZ3 LYS 7 HZ3 LYS 7 -6.444 3.499 11.141 63 H LYS 8 H LYS 8 -3.819 -2.914 8.004 64 HA LYS 8 HA LYS 8 -6.060 -4.592 8.696 65 HB2 LYS 8 HB2 LYS 8 -5.254 -4.368 6.409 66 HB3 LYS 8 HB3 LYS 8 -3.661 -4.991 6.877 67 HG2 LYS 8 HG2 LYS 8 -4.646 -7.166 7.450 68 HG3 LYS 8 HG3 LYS 8 -6.269 -6.559 7.045 69 HD2 LYS 8 HD2 LYS 8 -5.540 -6.149 4.721 70 HD3 LYS 8 HD3 LYS 8 -3.903 -6.728 5.124 71 HE2 LYS 8 HE2 LYS 8 -4.831 -8.938 5.710 72 HE3 LYS 8 HE3 LYS 8 -6.466 -8.360 5.333 73 HZ1 LYS 8 HZ1 LYS 8 -4.229 -8.530 3.423 74 HZ2 LYS 8 HZ2 LYS 8 -5.498 -9.577 3.505 75 HZ3 LYS 8 HZ3 LYS 8 -5.749 -8.019 3.065 76 H VAL 9 H VAL 9 -2.593 -4.585 9.497 77 HA VAL 9 HA VAL 9 -2.591 -7.262 10.629 78 HB VAL 9 HB VAL 9 -0.743 -4.854 10.779 79 HG11 VAL 9 HG11 VAL 9 -0.376 -7.598 12.060 80 HG12 VAL 9 HG12 VAL 9 0.902 -6.367 11.887 81 HG13 VAL 9 HG13 VAL 9 -0.502 -6.045 12.916 82 HG21 VAL 9 HG21 VAL 9 -0.453 -7.630 9.552 83 HG22 VAL 9 HG22 VAL 9 -0.834 -6.151 8.644 84 HG23 VAL 9 HG23 VAL 9 0.739 -6.313 9.456 85 H VAL 10 H VAL 10 -3.126 -3.921 11.835 86 HA VAL 10 HA VAL 10 -3.288 -4.696 14.624 87 HB VAL 10 HB VAL 10 -4.263 -2.281 13.046 88 HG11 VAL 10 HG11 VAL 10 -4.238 -2.734 16.058 89 HG12 VAL 10 HG12 VAL 10 -4.532 -1.173 15.257 90 HG13 VAL 10 HG13 VAL 10 -5.681 -2.500 15.041 91 HG21 VAL 10 HG21 VAL 10 -1.801 -2.570 13.234 92 HG22 VAL 10 HG22 VAL 10 -2.374 -1.165 14.159 93 HG23 VAL 10 HG23 VAL 10 -1.961 -2.679 15.000 94 H GLY 11 H GLY 11 -5.537 -4.640 11.870 95 HA2 GLY 11 HA2 GLY 11 -7.974 -4.829 13.337 96 HA3 GLY 11 HA3 GLY 11 -7.697 -5.369 11.664 97 H ALA 12 H ALA 12 -5.498 -7.234 12.489 98 HA ALA 12 HA ALA 12 -7.115 -9.552 13.039 99 HB1 ALA 12 HB1 ALA 12 -4.095 -9.167 13.087 100 HB2 ALA 12 HB2 ALA 12 -4.954 -10.720 13.009 101 HB3 ALA 12 HB3 ALA 12 -5.066 -9.575 11.652 102 H LEU 13 H LEU 13 -5.308 -7.276 15.031 103 HA LEU 13 HA LEU 13 -5.315 -8.994 17.387 104 HB2 LEU 13 HB2 LEU 13 -4.763 -6.016 17.154 105 HB3 LEU 13 HB3 LEU 13 -4.333 -7.063 18.505 106 HG LEU 13 HG LEU 13 -3.216 -7.285 15.672 107 HD11 LEU 13 HD11 LEU 13 -1.944 -6.348 18.281 108 HD12 LEU 13 HD12 LEU 13 -1.131 -6.484 16.706 109 HD13 LEU 13 HD13 LEU 13 -2.436 -5.299 16.930 110 HD21 LEU 13 HD21 LEU 13 -3.279 -9.483 16.803 111 HD22 LEU 13 HD22 LEU 13 -1.617 -8.880 16.702 112 HD23 LEU 13 HD23 LEU 13 -2.505 -8.774 18.242 113 H GLY 14 H GLY 14 -7.806 -7.607 15.803 114 HA2 GLY 14 HA2 GLY 14 -9.986 -7.273 16.505 115 HA3 GLY 14 HA3 GLY 14 -9.476 -7.411 18.192 116 HN1 NH2 15 HN1 NH2 15 -7.442 -5.207 16.525 117 HN2 NH2 15 HN2 NH2 15 -8.243 -3.729 17.017 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 3.163 2.865 -1.021 2 H2 GLY 1 H2 GLY 1 1.972 3.912 -1.481 3 H3 GLY 1 H3 GLY 1 1.667 2.296 -1.394 4 HA2 GLY 1 HA2 GLY 1 2.308 4.059 0.865 5 HA3 GLY 1 HA3 GLY 1 0.695 3.427 0.470 6 H LEU 2 H LEU 2 1.256 2.798 2.898 7 HA LEU 2 HA LEU 2 1.828 -0.085 2.844 8 HB2 LEU 2 HB2 LEU 2 4.067 0.906 3.124 9 HB3 LEU 2 HB3 LEU 2 3.463 1.890 4.473 10 HG LEU 2 HG LEU 2 3.025 -0.136 5.805 11 HD11 LEU 2 HD11 LEU 2 4.277 -1.592 3.424 12 HD12 LEU 2 HD12 LEU 2 3.916 -2.320 5.005 13 HD13 LEU 2 HD13 LEU 2 2.588 -1.747 3.981 14 HD21 LEU 2 HD21 LEU 2 5.825 -0.010 4.620 15 HD22 LEU 2 HD22 LEU 2 5.207 0.996 5.948 16 HD23 LEU 2 HD23 LEU 2 5.385 -0.758 6.170 17 H PHE 3 H PHE 3 0.697 2.849 4.531 18 HA PHE 3 HA PHE 3 0.043 1.621 6.940 19 HB2 PHE 3 HB2 PHE 3 -0.875 4.126 5.624 20 HB3 PHE 3 HB3 PHE 3 -1.695 3.542 7.072 21 HD1 PHE 3 HD1 PHE 3 -0.483 3.180 9.169 22 HD2 PHE 3 HD2 PHE 3 1.371 5.054 5.783 23 HE1 PHE 3 HE1 PHE 3 1.303 4.092 10.653 24 HE2 PHE 3 HE2 PHE 3 3.143 5.984 7.258 25 HZ PHE 3 HZ PHE 3 3.101 5.510 9.698 26 H ASP 4 H ASP 4 -1.796 1.372 3.968 27 HA ASP 4 HA ASP 4 -4.202 0.581 5.281 28 HB2 ASP 4 HB2 ASP 4 -3.147 -0.021 2.500 29 HB3 ASP 4 HB3 ASP 4 -4.754 -0.488 3.068 30 H ILE 5 H ILE 5 -1.233 -1.136 4.564 31 HA ILE 5 HA ILE 5 -2.346 -3.770 5.170 32 HB ILE 5 HB ILE 5 0.473 -2.708 4.784 33 HG12 ILE 5 HG12 ILE 5 -1.301 -4.480 3.044 34 HG13 ILE 5 HG13 ILE 5 -1.036 -2.746 2.798 35 HG21 ILE 5 HG21 ILE 5 0.507 -4.644 6.320 36 HG22 ILE 5 HG22 ILE 5 -0.457 -5.590 5.161 37 HG23 ILE 5 HG23 ILE 5 1.193 -5.078 4.749 38 HD11 ILE 5 HD11 ILE 5 0.411 -3.990 1.295 39 HD12 ILE 5 HD12 ILE 5 1.406 -3.163 2.513 40 HD13 ILE 5 HD13 ILE 5 1.096 -4.910 2.648 41 H VAL 6 H VAL 6 -0.551 -1.180 6.872 42 HA VAL 6 HA VAL 6 0.022 -2.691 9.224 43 HB VAL 6 HB VAL 6 -0.398 0.297 8.833 44 HG11 VAL 6 HG11 VAL 6 0.948 0.537 10.899 45 HG12 VAL 6 HG12 VAL 6 -0.580 -0.302 11.217 46 HG13 VAL 6 HG13 VAL 6 0.929 -1.232 11.111 47 HG21 VAL 6 HG21 VAL 6 2.077 0.359 8.745 48 HG22 VAL 6 HG22 VAL 6 2.130 -1.411 8.889 49 HG23 VAL 6 HG23 VAL 6 1.423 -0.661 7.442 50 H LYS 7 H LYS 7 -2.816 -0.690 8.276 51 HA LYS 7 HA LYS 7 -4.157 -0.999 10.795 52 HB2 LYS 7 HB2 LYS 7 -5.190 -0.388 7.994 53 HB3 LYS 7 HB3 LYS 7 -6.178 -0.305 9.458 54 HG2 LYS 7 HG2 LYS 7 -3.665 1.340 8.921 55 HG3 LYS 7 HG3 LYS 7 -5.320 1.918 8.746 56 HD2 LYS 7 HD2 LYS 7 -3.997 1.023 11.344 57 HD3 LYS 7 HD3 LYS 7 -4.361 2.684 10.850 58 HE2 LYS 7 HE2 LYS 7 -6.789 2.117 10.788 59 HE3 LYS 7 HE3 LYS 7 -6.410 0.483 11.336 60 HZ1 LYS 7 HZ1 LYS 7 -7.047 1.888 13.162 61 HZ2 LYS 7 HZ2 LYS 7 -5.479 1.446 13.342 62 HZ3 LYS 7 HZ3 LYS 7 -5.852 2.962 12.825 63 H LYS 8 H LYS 8 -3.885 -3.069 7.940 64 HA LYS 8 HA LYS 8 -6.119 -4.772 8.672 65 HB2 LYS 8 HB2 LYS 8 -5.323 -4.540 6.358 66 HB3 LYS 8 HB3 LYS 8 -3.739 -5.181 6.813 67 HG2 LYS 8 HG2 LYS 8 -4.748 -7.335 7.441 68 HG3 LYS 8 HG3 LYS 8 -6.364 -6.714 7.047 69 HD2 LYS 8 HD2 LYS 8 -4.034 -7.029 5.108 70 HD3 LYS 8 HD3 LYS 8 -5.424 -8.117 5.236 71 HE2 LYS 8 HE2 LYS 8 -5.548 -5.170 4.463 72 HE3 LYS 8 HE3 LYS 8 -5.644 -6.534 3.343 73 HZ1 LYS 8 HZ1 LYS 8 -7.639 -7.243 4.461 74 HZ2 LYS 8 HZ2 LYS 8 -7.569 -5.967 5.502 75 HZ3 LYS 8 HZ3 LYS 8 -7.803 -5.714 3.894 76 H VAL 9 H VAL 9 -2.640 -4.699 9.400 77 HA VAL 9 HA VAL 9 -2.566 -7.350 10.579 78 HB VAL 9 HB VAL 9 -0.765 -4.895 10.709 79 HG11 VAL 9 HG11 VAL 9 -0.313 -7.651 11.923 80 HG12 VAL 9 HG12 VAL 9 0.922 -6.380 11.769 81 HG13 VAL 9 HG13 VAL 9 -0.474 -6.122 12.822 82 HG21 VAL 9 HG21 VAL 9 -0.862 -6.127 8.560 83 HG22 VAL 9 HG22 VAL 9 0.721 -6.303 9.348 84 HG23 VAL 9 HG23 VAL 9 -0.459 -7.635 9.408 85 H VAL 10 H VAL 10 -3.108 -3.995 11.777 86 HA VAL 10 HA VAL 10 -3.233 -4.773 14.565 87 HB VAL 10 HB VAL 10 -4.193 -2.345 12.991 88 HG11 VAL 10 HG11 VAL 10 -4.157 -2.787 16.002 89 HG12 VAL 10 HG12 VAL 10 -4.424 -1.223 15.189 90 HG13 VAL 10 HG13 VAL 10 -5.602 -2.531 14.992 91 HG21 VAL 10 HG21 VAL 10 -2.266 -1.265 14.084 92 HG22 VAL 10 HG22 VAL 10 -1.885 -2.781 14.934 93 HG23 VAL 10 HG23 VAL 10 -1.736 -2.681 13.160 94 H GLY 11 H GLY 11 -5.524 -4.692 11.850 95 HA2 GLY 11 HA2 GLY 11 -7.940 -4.838 13.342 96 HA3 GLY 11 HA3 GLY 11 -7.686 -5.415 11.678 97 H ALA 12 H ALA 12 -5.519 -7.311 12.510 98 HA ALA 12 HA ALA 12 -7.158 -9.587 13.147 99 HB1 ALA 12 HB1 ALA 12 -5.102 -9.676 11.746 100 HB2 ALA 12 HB2 ALA 12 -4.130 -9.231 13.169 101 HB3 ALA 12 HB3 ALA 12 -4.997 -10.780 13.140 102 H LEU 13 H LEU 13 -5.277 -7.282 15.035 103 HA LEU 13 HA LEU 13 -5.319 -8.909 17.461 104 HB2 LEU 13 HB2 LEU 13 -4.631 -5.974 17.089 105 HB3 LEU 13 HB3 LEU 13 -4.219 -6.995 18.482 106 HG LEU 13 HG LEU 13 -3.182 -7.364 15.635 107 HD11 LEU 13 HD11 LEU 13 -1.829 -6.349 18.168 108 HD12 LEU 13 HD12 LEU 13 -1.040 -6.609 16.593 109 HD13 LEU 13 HD13 LEU 13 -2.288 -5.358 16.762 110 HD21 LEU 13 HD21 LEU 13 -3.300 -9.508 16.832 111 HD22 LEU 13 HD22 LEU 13 -1.615 -8.973 16.696 112 HD23 LEU 13 HD23 LEU 13 -2.476 -8.784 18.239 113 H GLY 14 H GLY 14 -7.774 -7.468 15.851 114 HA2 GLY 14 HA2 GLY 14 -9.916 -6.992 16.572 115 HA3 GLY 14 HA3 GLY 14 -9.376 -7.103 18.260 116 HN1 NH2 15 HN1 NH2 15 -7.273 -5.069 16.507 117 HN2 NH2 15 HN2 NH2 15 -7.977 -3.531 16.957 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 2.237 3.978 -1.355 2 H2 GLY 1 H2 GLY 1 2.064 2.341 -1.326 3 H3 GLY 1 H3 GLY 1 3.437 3.030 -0.738 4 HA2 GLY 1 HA2 GLY 1 2.229 4.095 1.029 5 HA3 GLY 1 HA3 GLY 1 0.748 3.337 0.401 6 H LEU 2 H LEU 2 1.276 2.818 2.963 7 HA LEU 2 HA LEU 2 1.846 -0.063 2.928 8 HB2 LEU 2 HB2 LEU 2 4.077 0.940 3.231 9 HB3 LEU 2 HB3 LEU 2 3.455 1.922 4.573 10 HG LEU 2 HG LEU 2 3.018 -0.110 5.898 11 HD11 LEU 2 HD11 LEU 2 3.932 -2.286 5.121 12 HD12 LEU 2 HD12 LEU 2 2.613 -1.731 4.071 13 HD13 LEU 2 HD13 LEU 2 4.299 -1.553 3.538 14 HD21 LEU 2 HD21 LEU 2 5.831 0.041 4.731 15 HD22 LEU 2 HD22 LEU 2 5.198 1.037 6.066 16 HD23 LEU 2 HD23 LEU 2 5.384 -0.719 6.274 17 H PHE 3 H PHE 3 0.682 2.859 4.592 18 HA PHE 3 HA PHE 3 -0.002 1.647 7.010 19 HB2 PHE 3 HB2 PHE 3 -0.922 4.119 5.640 20 HB3 PHE 3 HB3 PHE 3 -1.759 3.548 7.089 21 HD1 PHE 3 HD1 PHE 3 -0.580 3.236 9.211 22 HD2 PHE 3 HD2 PHE 3 1.328 5.067 5.827 23 HE1 PHE 3 HE1 PHE 3 1.169 4.187 10.712 24 HE2 PHE 3 HE2 PHE 3 3.077 6.008 7.321 25 HZ PHE 3 HZ PHE 3 2.993 5.581 9.757 26 H ASP 4 H ASP 4 -1.793 1.371 4.014 27 HA ASP 4 HA ASP 4 -4.210 0.563 5.300 28 HB2 ASP 4 HB2 ASP 4 -3.132 0.024 2.518 29 HB3 ASP 4 HB3 ASP 4 -4.736 -0.487 3.052 30 H ILE 5 H ILE 5 -1.236 -1.123 4.586 31 HA ILE 5 HA ILE 5 -2.324 -3.774 5.150 32 HB ILE 5 HB ILE 5 0.493 -2.681 4.823 33 HG12 ILE 5 HG12 ILE 5 -1.281 -4.385 3.020 34 HG13 ILE 5 HG13 ILE 5 -0.960 -2.654 2.809 35 HG21 ILE 5 HG21 ILE 5 -0.435 -5.570 5.110 36 HG22 ILE 5 HG22 ILE 5 1.226 -5.048 4.753 37 HG23 ILE 5 HG23 ILE 5 0.505 -4.653 6.314 38 HD11 ILE 5 HD11 ILE 5 1.103 -4.880 2.637 39 HD12 ILE 5 HD12 ILE 5 0.457 -3.905 1.301 40 HD13 ILE 5 HD13 ILE 5 1.461 -3.133 2.540 41 H VAL 6 H VAL 6 -0.555 -1.188 6.902 42 HA VAL 6 HA VAL 6 -0.001 -2.722 9.237 43 HB VAL 6 HB VAL 6 -0.444 0.272 8.890 44 HG11 VAL 6 HG11 VAL 6 -0.628 -0.384 11.262 45 HG12 VAL 6 HG12 VAL 6 0.898 -1.292 11.134 46 HG13 VAL 6 HG13 VAL 6 0.896 0.477 10.970 47 HG21 VAL 6 HG21 VAL 6 2.109 -1.400 8.942 48 HG22 VAL 6 HG22 VAL 6 1.387 -0.655 7.494 49 HG23 VAL 6 HG23 VAL 6 2.023 0.365 8.805 50 H LYS 7 H LYS 7 -2.832 -0.720 8.271 51 HA LYS 7 HA LYS 7 -4.209 -1.058 10.772 52 HB2 LYS 7 HB2 LYS 7 -5.194 -0.402 7.969 53 HB3 LYS 7 HB3 LYS 7 -6.217 -0.361 9.404 54 HG2 LYS 7 HG2 LYS 7 -3.712 1.330 8.974 55 HG3 LYS 7 HG3 LYS 7 -5.377 1.887 8.788 56 HD2 LYS 7 HD2 LYS 7 -4.056 0.925 11.359 57 HD3 LYS 7 HD3 LYS 7 -4.450 2.594 10.941 58 HE2 LYS 7 HE2 LYS 7 -6.483 0.355 11.326 59 HE3 LYS 7 HE3 LYS 7 -6.094 1.623 12.499 60 HZ1 LYS 7 HZ1 LYS 7 -7.229 2.075 9.819 61 HZ2 LYS 7 HZ2 LYS 7 -8.049 2.161 11.237 62 HZ3 LYS 7 HZ3 LYS 7 -6.867 3.249 10.909 63 H LYS 8 H LYS 8 -3.907 -3.094 7.892 64 HA LYS 8 HA LYS 8 -6.131 -4.815 8.595 65 HB2 LYS 8 HB2 LYS 8 -5.325 -4.571 6.299 66 HB3 LYS 8 HB3 LYS 8 -3.735 -5.212 6.762 67 HG2 LYS 8 HG2 LYS 8 -4.757 -7.369 7.385 68 HG3 LYS 8 HG3 LYS 8 -6.359 -6.749 6.937 69 HD2 LYS 8 HD2 LYS 8 -3.970 -7.052 5.073 70 HD3 LYS 8 HD3 LYS 8 -5.341 -8.159 5.149 71 HE2 LYS 8 HE2 LYS 8 -5.487 -5.211 4.384 72 HE3 LYS 8 HE3 LYS 8 -5.528 -6.577 3.263 73 HZ1 LYS 8 HZ1 LYS 8 -7.523 -6.035 5.363 74 HZ2 LYS 8 HZ2 LYS 8 -7.725 -5.781 3.757 75 HZ3 LYS 8 HZ3 LYS 8 -7.554 -7.311 4.330 76 H VAL 9 H VAL 9 -2.654 -4.723 9.376 77 HA VAL 9 HA VAL 9 -2.622 -7.389 10.543 78 HB VAL 9 HB VAL 9 -0.772 -4.977 10.675 79 HG11 VAL 9 HG11 VAL 9 -0.356 -7.759 11.837 80 HG12 VAL 9 HG12 VAL 9 0.903 -6.511 11.676 81 HG13 VAL 9 HG13 VAL 9 -0.475 -6.237 12.756 82 HG21 VAL 9 HG21 VAL 9 0.673 -6.398 9.262 83 HG22 VAL 9 HG22 VAL 9 -0.523 -7.711 9.334 84 HG23 VAL 9 HG23 VAL 9 -0.913 -6.184 8.500 85 H VAL 10 H VAL 10 -3.073 -4.027 11.731 86 HA VAL 10 HA VAL 10 -3.198 -4.767 14.522 87 HB VAL 10 HB VAL 10 -4.159 -2.358 12.917 88 HG11 VAL 10 HG11 VAL 10 -4.160 -2.760 15.937 89 HG12 VAL 10 HG12 VAL 10 -4.408 -1.204 15.105 90 HG13 VAL 10 HG13 VAL 10 -5.581 -2.521 14.909 91 HG21 VAL 10 HG21 VAL 10 -2.243 -1.251 14.012 92 HG22 VAL 10 HG22 VAL 10 -1.858 -2.750 14.890 93 HG23 VAL 10 HG23 VAL 10 -1.693 -2.687 13.122 94 H GLY 11 H GLY 11 -5.492 -4.737 11.814 95 HA2 GLY 11 HA2 GLY 11 -7.912 -4.820 13.308 96 HA3 GLY 11 HA3 GLY 11 -7.666 -5.423 11.656 97 H ALA 12 H ALA 12 -5.511 -7.319 12.520 98 HA ALA 12 HA ALA 12 -7.179 -9.571 13.191 99 HB1 ALA 12 HB1 ALA 12 -4.144 -9.252 13.165 100 HB2 ALA 12 HB2 ALA 12 -5.029 -10.789 13.197 101 HB3 ALA 12 HB3 ALA 12 -5.155 -9.731 11.778 102 H LEU 13 H LEU 13 -5.261 -7.260 15.021 103 HA LEU 13 HA LEU 13 -5.295 -8.852 17.468 104 HB2 LEU 13 HB2 LEU 13 -4.565 -5.930 17.061 105 HB3 LEU 13 HB3 LEU 13 -4.155 -6.940 18.450 106 HG LEU 13 HG LEU 13 -3.149 -7.343 15.595 107 HD11 LEU 13 HD11 LEU 13 -0.986 -6.635 16.545 108 HD12 LEU 13 HD12 LEU 13 -2.211 -5.359 16.738 109 HD13 LEU 13 HD13 LEU 13 -1.754 -6.378 18.125 110 HD21 LEU 13 HD21 LEU 13 -3.325 -9.484 16.813 111 HD22 LEU 13 HD22 LEU 13 -1.627 -9.003 16.638 112 HD23 LEU 13 HD23 LEU 13 -2.460 -8.768 18.199 113 H GLY 14 H GLY 14 -7.735 -7.411 15.866 114 HA2 GLY 14 HA2 GLY 14 -9.882 -6.950 16.599 115 HA3 GLY 14 HA3 GLY 14 -9.326 -7.017 18.285 116 HN1 NH2 15 HN1 NH2 15 -7.248 -5.004 16.461 117 HN2 NH2 15 HN2 NH2 15 -7.971 -3.466 16.871 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 2.526 4.815 -0.773 2 H2 GLY 1 H2 GLY 1 2.216 3.208 -0.951 3 H3 GLY 1 H3 GLY 1 3.670 3.709 -0.356 4 HA2 GLY 1 HA2 GLY 1 2.640 4.596 1.601 5 HA3 GLY 1 HA3 GLY 1 1.068 4.073 0.958 6 H LEU 2 H LEU 2 1.498 3.106 3.347 7 HA LEU 2 HA LEU 2 1.939 0.239 2.902 8 HB2 LEU 2 HB2 LEU 2 4.220 1.062 3.372 9 HB3 LEU 2 HB3 LEU 2 3.627 1.871 4.834 10 HG LEU 2 HG LEU 2 3.062 -0.314 5.844 11 HD11 LEU 2 HD11 LEU 2 3.858 -2.396 4.741 12 HD12 LEU 2 HD12 LEU 2 2.584 -1.601 3.797 13 HD13 LEU 2 HD13 LEU 2 4.287 -1.456 3.292 14 HD21 LEU 2 HD21 LEU 2 5.886 -0.147 4.724 15 HD22 LEU 2 HD22 LEU 2 5.293 0.679 6.186 16 HD23 LEU 2 HD23 LEU 2 5.387 -1.097 6.140 17 H PHE 3 H PHE 3 0.940 2.952 4.992 18 HA PHE 3 HA PHE 3 0.149 1.409 7.171 19 HB2 PHE 3 HB2 PHE 3 -0.578 4.146 6.263 20 HB3 PHE 3 HB3 PHE 3 -1.476 3.397 7.576 21 HD1 PHE 3 HD1 PHE 3 -0.361 2.607 9.608 22 HD2 PHE 3 HD2 PHE 3 1.716 4.892 6.626 23 HE1 PHE 3 HE1 PHE 3 1.421 3.152 11.269 24 HE2 PHE 3 HE2 PHE 3 3.494 5.438 8.275 25 HZ PHE 3 HZ PHE 3 3.336 4.569 10.601 26 H ASP 4 H ASP 4 -1.633 1.756 4.182 27 HA ASP 4 HA ASP 4 -4.113 0.918 5.289 28 HB2 ASP 4 HB2 ASP 4 -2.977 0.660 2.484 29 HB3 ASP 4 HB3 ASP 4 -4.631 0.192 2.921 30 H ILE 5 H ILE 5 -1.228 -0.874 4.439 31 HA ILE 5 HA ILE 5 -2.503 -3.488 4.690 32 HB ILE 5 HB ILE 5 0.386 -2.551 4.531 33 HG12 ILE 5 HG12 ILE 5 -1.428 -3.946 2.519 34 HG13 ILE 5 HG13 ILE 5 -1.030 -2.221 2.503 35 HG21 ILE 5 HG21 ILE 5 -0.730 -5.382 4.468 36 HG22 ILE 5 HG22 ILE 5 0.975 -4.926 4.199 37 HG23 ILE 5 HG23 ILE 5 0.237 -4.672 5.783 38 HD11 ILE 5 HD11 ILE 5 0.395 -3.365 0.906 39 HD12 ILE 5 HD12 ILE 5 1.385 -2.787 2.259 40 HD13 ILE 5 HD13 ILE 5 0.946 -4.513 2.138 41 H VAL 6 H VAL 6 -0.633 -1.227 6.731 42 HA VAL 6 HA VAL 6 -0.189 -3.007 8.916 43 HB VAL 6 HB VAL 6 -0.531 0.017 8.906 44 HG11 VAL 6 HG11 VAL 6 -0.711 -0.901 11.173 45 HG12 VAL 6 HG12 VAL 6 0.765 -1.865 10.918 46 HG13 VAL 6 HG13 VAL 6 0.853 -0.087 10.967 47 HG21 VAL 6 HG21 VAL 6 1.952 -1.737 8.696 48 HG22 VAL 6 HG22 VAL 6 1.264 -0.760 7.379 49 HG23 VAL 6 HG23 VAL 6 1.944 0.040 8.811 50 H LYS 7 H LYS 7 -3.001 -0.988 8.014 51 HA LYS 7 HA LYS 7 -4.404 -1.306 10.482 52 HB2 LYS 7 HB2 LYS 7 -5.037 -0.413 7.705 53 HB3 LYS 7 HB3 LYS 7 -6.396 -1.032 8.655 54 HG2 LYS 7 HG2 LYS 7 -6.265 1.341 9.014 55 HG3 LYS 7 HG3 LYS 7 -5.814 0.504 10.511 56 HD2 LYS 7 HD2 LYS 7 -3.407 0.884 9.979 57 HD3 LYS 7 HD3 LYS 7 -3.893 1.714 8.482 58 HE2 LYS 7 HE2 LYS 7 -3.399 3.361 10.216 59 HE3 LYS 7 HE3 LYS 7 -5.113 3.404 9.787 60 HZ1 LYS 7 HZ1 LYS 7 -5.564 2.099 11.766 61 HZ2 LYS 7 HZ2 LYS 7 -3.966 2.048 12.146 62 HZ3 LYS 7 HZ3 LYS 7 -4.773 3.479 12.160 63 H LYS 8 H LYS 8 -3.938 -3.495 7.756 64 HA LYS 8 HA LYS 8 -6.121 -5.262 8.509 65 HB2 LYS 8 HB2 LYS 8 -3.630 -5.913 6.893 66 HB3 LYS 8 HB3 LYS 8 -5.170 -6.781 6.880 67 HG2 LYS 8 HG2 LYS 8 -4.676 -3.955 5.867 68 HG3 LYS 8 HG3 LYS 8 -4.943 -5.397 4.881 69 HD2 LYS 8 HD2 LYS 8 -7.230 -5.624 5.869 70 HD3 LYS 8 HD3 LYS 8 -6.957 -4.152 6.814 71 HE2 LYS 8 HE2 LYS 8 -8.228 -3.611 4.809 72 HE3 LYS 8 HE3 LYS 8 -6.622 -2.867 4.727 73 HZ1 LYS 8 HZ1 LYS 8 -7.439 -5.355 3.371 74 HZ2 LYS 8 HZ2 LYS 8 -7.226 -3.893 2.657 75 HZ3 LYS 8 HZ3 LYS 8 -5.941 -4.685 3.298 76 H VAL 9 H VAL 9 -2.711 -4.862 9.393 77 HA VAL 9 HA VAL 9 -2.485 -7.458 10.699 78 HB VAL 9 HB VAL 9 -0.792 -4.928 10.818 79 HG11 VAL 9 HG11 VAL 9 -0.218 -7.743 11.830 80 HG12 VAL 9 HG12 VAL 9 0.960 -6.410 11.753 81 HG13 VAL 9 HG13 VAL 9 -0.446 -6.288 12.828 82 HG21 VAL 9 HG21 VAL 9 -0.449 -7.549 9.300 83 HG22 VAL 9 HG22 VAL 9 -0.870 -5.975 8.583 84 HG23 VAL 9 HG23 VAL 9 0.719 -6.214 9.335 85 H VAL 10 H VAL 10 -3.074 -4.063 11.734 86 HA VAL 10 HA VAL 10 -3.246 -4.694 14.539 87 HB VAL 10 HB VAL 10 -4.291 -2.367 12.869 88 HG11 VAL 10 HG11 VAL 10 -4.068 -2.662 15.890 89 HG12 VAL 10 HG12 VAL 10 -4.431 -1.146 15.027 90 HG13 VAL 10 HG13 VAL 10 -5.576 -2.496 14.959 91 HG21 VAL 10 HG21 VAL 10 -1.816 -2.626 12.906 92 HG22 VAL 10 HG22 VAL 10 -2.335 -1.187 13.815 93 HG23 VAL 10 HG23 VAL 10 -1.854 -2.657 14.682 94 H GLY 11 H GLY 11 -5.528 -4.806 11.817 95 HA2 GLY 11 HA2 GLY 11 -7.948 -4.854 13.301 96 HA3 GLY 11 HA3 GLY 11 -7.686 -5.552 11.690 97 H ALA 12 H ALA 12 -5.506 -7.359 12.652 98 HA ALA 12 HA ALA 12 -7.138 -9.603 13.440 99 HB1 ALA 12 HB1 ALA 12 -4.109 -9.250 13.399 100 HB2 ALA 12 HB2 ALA 12 -4.982 -10.791 13.502 101 HB3 ALA 12 HB3 ALA 12 -5.114 -9.794 12.032 102 H LEU 13 H LEU 13 -5.235 -7.192 15.163 103 HA LEU 13 HA LEU 13 -5.237 -8.663 17.683 104 HB2 LEU 13 HB2 LEU 13 -4.594 -5.742 17.135 105 HB3 LEU 13 HB3 LEU 13 -4.152 -6.673 18.571 106 HG LEU 13 HG LEU 13 -3.132 -7.195 15.745 107 HD11 LEU 13 HD11 LEU 13 -1.770 -6.032 18.209 108 HD12 LEU 13 HD12 LEU 13 -1.000 -6.365 16.637 109 HD13 LEU 13 HD13 LEU 13 -2.266 -5.123 16.762 110 HD21 LEU 13 HD21 LEU 13 -3.242 -9.270 17.072 111 HD22 LEU 13 HD22 LEU 13 -1.557 -8.739 16.875 112 HD23 LEU 13 HD23 LEU 13 -2.397 -8.468 18.417 113 H GLY 14 H GLY 14 -7.724 -7.360 16.019 114 HA2 GLY 14 HA2 GLY 14 -9.872 -6.901 16.724 115 HA3 GLY 14 HA3 GLY 14 -9.328 -6.886 18.417 116 HN1 NH2 15 HN1 NH2 15 -7.279 -4.922 16.519 117 HN2 NH2 15 HN2 NH2 15 -8.026 -3.377 16.858 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 2.781 3.446 -0.991 2 H2 GLY 1 H2 GLY 1 1.527 4.468 -1.318 3 H3 GLY 1 H3 GLY 1 1.285 2.841 -1.322 4 HA2 GLY 1 HA2 GLY 1 1.987 4.471 1.019 5 HA3 GLY 1 HA3 GLY 1 0.380 3.808 0.666 6 H LEU 2 H LEU 2 1.225 3.091 3.036 7 HA LEU 2 HA LEU 2 1.851 0.225 2.736 8 HB2 LEU 2 HB2 LEU 2 3.923 1.897 3.166 9 HB3 LEU 2 HB3 LEU 2 3.372 1.757 4.831 10 HG LEU 2 HG LEU 2 5.162 0.198 4.386 11 HD11 LEU 2 HD11 LEU 2 2.610 -1.449 4.467 12 HD12 LEU 2 HD12 LEU 2 4.211 -1.887 5.094 13 HD13 LEU 2 HD13 LEU 2 3.288 -0.583 5.868 14 HD21 LEU 2 HD21 LEU 2 4.852 0.023 1.937 15 HD22 LEU 2 HD22 LEU 2 5.039 -1.563 2.713 16 HD23 LEU 2 HD23 LEU 2 3.432 -1.017 2.200 17 H PHE 3 H PHE 3 0.646 2.973 4.663 18 HA PHE 3 HA PHE 3 0.045 1.549 6.979 19 HB2 PHE 3 HB2 PHE 3 -0.974 4.105 5.848 20 HB3 PHE 3 HB3 PHE 3 -1.787 3.382 7.235 21 HD1 PHE 3 HD1 PHE 3 -0.465 2.745 9.268 22 HD2 PHE 3 HD2 PHE 3 1.083 5.309 6.193 23 HE1 PHE 3 HE1 PHE 3 1.228 3.624 10.863 24 HE2 PHE 3 HE2 PHE 3 2.794 6.178 7.777 25 HZ PHE 3 HZ PHE 3 2.859 5.343 10.108 26 H ASP 4 H ASP 4 -1.808 1.430 4.001 27 HA ASP 4 HA ASP 4 -4.173 0.474 5.228 28 HB2 ASP 4 HB2 ASP 4 -3.048 0.032 2.449 29 HB3 ASP 4 HB3 ASP 4 -4.639 -0.539 2.968 30 H ILE 5 H ILE 5 -1.135 -1.124 4.554 31 HA ILE 5 HA ILE 5 -2.171 -3.814 5.029 32 HB ILE 5 HB ILE 5 0.613 -2.613 4.835 33 HG12 ILE 5 HG12 ILE 5 -0.935 -4.381 2.888 34 HG13 ILE 5 HG13 ILE 5 -0.795 -2.620 2.754 35 HG21 ILE 5 HG21 ILE 5 -0.199 -5.541 5.027 36 HG22 ILE 5 HG22 ILE 5 1.444 -4.939 4.696 37 HG23 ILE 5 HG23 ILE 5 0.679 -4.606 6.255 38 HD11 ILE 5 HD11 ILE 5 0.840 -3.663 1.290 39 HD12 ILE 5 HD12 ILE 5 1.681 -2.834 2.610 40 HD13 ILE 5 HD13 ILE 5 1.510 -4.608 2.636 41 H VAL 6 H VAL 6 -0.564 -1.203 6.872 42 HA VAL 6 HA VAL 6 0.024 -2.798 9.177 43 HB VAL 6 HB VAL 6 -0.412 0.199 8.928 44 HG11 VAL 6 HG11 VAL 6 1.031 -1.452 11.040 45 HG12 VAL 6 HG12 VAL 6 1.020 0.321 10.941 46 HG13 VAL 6 HG13 VAL 6 -0.486 -0.557 11.273 47 HG21 VAL 6 HG21 VAL 6 1.347 -0.621 7.397 48 HG22 VAL 6 HG22 VAL 6 2.056 0.300 8.734 49 HG23 VAL 6 HG23 VAL 6 2.129 -1.476 8.746 50 H LYS 7 H LYS 7 -2.803 -0.727 8.306 51 HA LYS 7 HA LYS 7 -4.108 -1.116 10.844 52 HB2 LYS 7 HB2 LYS 7 -5.244 -0.394 8.118 53 HB3 LYS 7 HB3 LYS 7 -6.118 -0.284 9.652 54 HG2 LYS 7 HG2 LYS 7 -3.620 1.291 8.883 55 HG3 LYS 7 HG3 LYS 7 -5.274 1.911 8.967 56 HD2 LYS 7 HD2 LYS 7 -5.301 1.350 11.428 57 HD3 LYS 7 HD3 LYS 7 -3.598 0.872 11.300 58 HE2 LYS 7 HE2 LYS 7 -3.757 3.158 12.134 59 HE3 LYS 7 HE3 LYS 7 -2.992 3.129 10.541 60 HZ1 LYS 7 HZ1 LYS 7 -5.810 3.787 11.071 61 HZ2 LYS 7 HZ2 LYS 7 -4.621 4.870 10.724 62 HZ3 LYS 7 HZ3 LYS 7 -5.100 3.781 9.591 63 H LYS 8 H LYS 8 -3.892 -3.082 7.924 64 HA LYS 8 HA LYS 8 -6.150 -4.768 8.599 65 HB2 LYS 8 HB2 LYS 8 -5.322 -4.512 6.302 66 HB3 LYS 8 HB3 LYS 8 -3.752 -5.191 6.769 67 HG2 LYS 8 HG2 LYS 8 -4.815 -7.337 7.350 68 HG3 LYS 8 HG3 LYS 8 -6.406 -6.676 6.926 69 HD2 LYS 8 HD2 LYS 8 -4.045 -6.992 5.029 70 HD3 LYS 8 HD3 LYS 8 -5.446 -8.074 5.115 71 HE2 LYS 8 HE2 LYS 8 -6.938 -6.161 4.543 72 HE3 LYS 8 HE3 LYS 8 -5.511 -5.112 4.397 73 HZ1 LYS 8 HZ1 LYS 8 -4.721 -6.532 2.640 74 HZ2 LYS 8 HZ2 LYS 8 -6.041 -7.503 2.769 75 HZ3 LYS 8 HZ3 LYS 8 -6.208 -5.947 2.270 76 H VAL 9 H VAL 9 -2.680 -4.739 9.401 77 HA VAL 9 HA VAL 9 -2.694 -7.421 10.554 78 HB VAL 9 HB VAL 9 -0.805 -5.035 10.683 79 HG11 VAL 9 HG11 VAL 9 -0.432 -7.822 11.860 80 HG12 VAL 9 HG12 VAL 9 0.839 -6.591 11.705 81 HG13 VAL 9 HG13 VAL 9 -0.544 -6.296 12.772 82 HG21 VAL 9 HG21 VAL 9 -0.591 -7.778 9.359 83 HG22 VAL 9 HG22 VAL 9 -0.966 -6.264 8.511 84 HG23 VAL 9 HG23 VAL 9 0.620 -6.471 9.280 85 H VAL 10 H VAL 10 -3.094 -4.052 11.744 86 HA VAL 10 HA VAL 10 -3.221 -4.785 14.532 87 HB VAL 10 HB VAL 10 -4.189 -2.374 12.939 88 HG11 VAL 10 HG11 VAL 10 -4.106 -2.788 15.954 89 HG12 VAL 10 HG12 VAL 10 -4.378 -1.229 15.144 90 HG13 VAL 10 HG13 VAL 10 -5.564 -2.528 14.959 91 HG21 VAL 10 HG21 VAL 10 -1.855 -2.776 14.861 92 HG22 VAL 10 HG22 VAL 10 -1.717 -2.723 13.089 93 HG23 VAL 10 HG23 VAL 10 -2.247 -1.283 13.989 94 H GLY 11 H GLY 11 -5.536 -4.737 11.841 95 HA2 GLY 11 HA2 GLY 11 -7.945 -4.819 13.353 96 HA3 GLY 11 HA3 GLY 11 -7.712 -5.433 11.698 97 H ALA 12 H ALA 12 -5.557 -7.333 12.549 98 HA ALA 12 HA ALA 12 -7.230 -9.574 13.233 99 HB1 ALA 12 HB1 ALA 12 -5.101 -10.809 13.218 100 HB2 ALA 12 HB2 ALA 12 -5.209 -9.741 11.804 101 HB3 ALA 12 HB3 ALA 12 -4.197 -9.282 13.195 102 H LEU 13 H LEU 13 -5.298 -7.266 15.066 103 HA LEU 13 HA LEU 13 -5.312 -8.865 17.511 104 HB2 LEU 13 HB2 LEU 13 -4.609 -5.938 17.093 105 HB3 LEU 13 HB3 LEU 13 -4.189 -6.948 18.489 106 HG LEU 13 HG LEU 13 -3.201 -7.364 15.630 107 HD11 LEU 13 HD11 LEU 13 -1.788 -6.338 18.127 108 HD12 LEU 13 HD12 LEU 13 -1.038 -6.624 16.535 109 HD13 LEU 13 HD13 LEU 13 -2.263 -5.351 16.727 110 HD21 LEU 13 HD21 LEU 13 -1.631 -8.975 16.686 111 HD22 LEU 13 HD22 LEU 13 -2.460 -8.754 18.243 112 HD23 LEU 13 HD23 LEU 13 -3.321 -9.489 16.866 113 H GLY 14 H GLY 14 -7.781 -7.432 15.918 114 HA2 GLY 14 HA2 GLY 14 -9.915 -6.938 16.658 115 HA3 GLY 14 HA3 GLY 14 -9.355 -7.039 18.342 116 HN1 NH2 15 HN1 NH2 15 -7.259 -5.034 16.546 117 HN2 NH2 15 HN2 NH2 15 -7.952 -3.489 16.986 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 1.728 4.457 -1.291 2 H2 GLY 1 H2 GLY 1 1.428 2.836 -1.330 3 H3 GLY 1 H3 GLY 1 2.943 3.385 -0.990 4 HA2 GLY 1 HA2 GLY 1 2.195 4.390 1.040 5 HA3 GLY 1 HA3 GLY 1 0.557 3.802 0.676 6 H LEU 2 H LEU 2 1.373 2.996 3.033 7 HA LEU 2 HA LEU 2 1.859 0.114 2.676 8 HB2 LEU 2 HB2 LEU 2 4.033 1.643 3.068 9 HB3 LEU 2 HB3 LEU 2 3.506 1.563 4.745 10 HG LEU 2 HG LEU 2 5.193 -0.122 4.284 11 HD11 LEU 2 HD11 LEU 2 4.123 -2.129 5.047 12 HD12 LEU 2 HD12 LEU 2 3.313 -0.750 5.822 13 HD13 LEU 2 HD13 LEU 2 2.542 -1.593 4.448 14 HD21 LEU 2 HD21 LEU 2 4.819 -0.317 1.847 15 HD22 LEU 2 HD22 LEU 2 4.903 -1.898 2.650 16 HD23 LEU 2 HD23 LEU 2 3.330 -1.244 2.160 17 H PHE 3 H PHE 3 0.915 2.904 4.703 18 HA PHE 3 HA PHE 3 0.266 1.465 6.992 19 HB2 PHE 3 HB2 PHE 3 -0.602 4.118 5.952 20 HB3 PHE 3 HB3 PHE 3 -1.408 3.416 7.355 21 HD1 PHE 3 HD1 PHE 3 0.032 2.562 9.283 22 HD2 PHE 3 HD2 PHE 3 1.467 5.261 6.264 23 HE1 PHE 3 HE1 PHE 3 1.871 3.280 10.802 24 HE2 PHE 3 HE2 PHE 3 3.302 5.975 7.771 25 HZ PHE 3 HZ PHE 3 3.502 4.986 10.044 26 H ASP 4 H ASP 4 -1.671 1.563 4.068 27 HA ASP 4 HA ASP 4 -4.063 0.756 5.369 28 HB2 ASP 4 HB2 ASP 4 -3.108 0.368 2.519 29 HB3 ASP 4 HB3 ASP 4 -4.712 -0.098 3.090 30 H ILE 5 H ILE 5 -1.188 -1.031 4.527 31 HA ILE 5 HA ILE 5 -2.421 -3.650 4.896 32 HB ILE 5 HB ILE 5 0.453 -2.662 4.737 33 HG12 ILE 5 HG12 ILE 5 -1.275 -4.181 2.739 34 HG13 ILE 5 HG13 ILE 5 -0.920 -2.448 2.670 35 HG21 ILE 5 HG21 ILE 5 0.338 -4.718 6.085 36 HG22 ILE 5 HG22 ILE 5 -0.583 -5.519 4.791 37 HG23 ILE 5 HG23 ILE 5 1.111 -5.022 4.530 38 HD11 ILE 5 HD11 ILE 5 0.564 -3.607 1.151 39 HD12 ILE 5 HD12 ILE 5 1.516 -2.968 2.509 40 HD13 ILE 5 HD13 ILE 5 1.116 -4.700 2.434 41 H VAL 6 H VAL 6 -0.620 -1.246 6.828 42 HA VAL 6 HA VAL 6 -0.170 -2.936 9.086 43 HB VAL 6 HB VAL 6 -0.399 0.092 8.969 44 HG11 VAL 6 HG11 VAL 6 0.962 -1.774 10.950 45 HG12 VAL 6 HG12 VAL 6 1.077 0.002 10.958 46 HG13 VAL 6 HG13 VAL 6 -0.485 -0.795 11.261 47 HG21 VAL 6 HG21 VAL 6 2.025 -1.724 8.660 48 HG22 VAL 6 HG22 VAL 6 1.277 -0.761 7.363 49 HG23 VAL 6 HG23 VAL 6 2.048 0.053 8.739 50 H LYS 7 H LYS 7 -2.902 -0.827 8.143 51 HA LYS 7 HA LYS 7 -4.280 -1.032 10.645 52 HB2 LYS 7 HB2 LYS 7 -4.948 -0.186 7.854 53 HB3 LYS 7 HB3 LYS 7 -6.299 -0.683 8.885 54 HG2 LYS 7 HG2 LYS 7 -5.984 1.708 9.083 55 HG3 LYS 7 HG3 LYS 7 -5.605 0.908 10.622 56 HD2 LYS 7 HD2 LYS 7 -3.180 1.089 10.108 57 HD3 LYS 7 HD3 LYS 7 -3.583 1.854 8.554 58 HE2 LYS 7 HE2 LYS 7 -2.970 3.555 10.202 59 HE3 LYS 7 HE3 LYS 7 -4.666 3.725 9.729 60 HZ1 LYS 7 HZ1 LYS 7 -4.363 3.912 12.098 61 HZ2 LYS 7 HZ2 LYS 7 -5.274 2.590 11.759 62 HZ3 LYS 7 HZ3 LYS 7 -3.694 2.413 12.180 63 H LYS 8 H LYS 8 -4.004 -3.229 7.883 64 HA LYS 8 HA LYS 8 -6.218 -4.907 8.758 65 HB2 LYS 8 HB2 LYS 8 -5.533 -4.763 6.406 66 HB3 LYS 8 HB3 LYS 8 -3.928 -5.411 6.818 67 HG2 LYS 8 HG2 LYS 8 -4.929 -7.534 7.526 68 HG3 LYS 8 HG3 LYS 8 -6.560 -6.869 7.290 69 HD2 LYS 8 HD2 LYS 8 -5.969 -8.277 5.389 70 HD3 LYS 8 HD3 LYS 8 -6.113 -6.592 4.877 71 HE2 LYS 8 HE2 LYS 8 -4.154 -7.584 3.832 72 HE3 LYS 8 HE3 LYS 8 -3.632 -6.361 5.000 73 HZ1 LYS 8 HZ1 LYS 8 -2.344 -8.380 5.167 74 HZ2 LYS 8 HZ2 LYS 8 -3.183 -8.141 6.558 75 HZ3 LYS 8 HZ3 LYS 8 -3.691 -9.269 5.471 76 H VAL 9 H VAL 9 -2.730 -4.728 9.406 77 HA VAL 9 HA VAL 9 -2.560 -7.344 10.659 78 HB VAL 9 HB VAL 9 -0.828 -4.841 10.739 79 HG11 VAL 9 HG11 VAL 9 -0.273 -7.598 11.910 80 HG12 VAL 9 HG12 VAL 9 0.913 -6.288 11.738 81 HG13 VAL 9 HG13 VAL 9 -0.475 -6.083 12.824 82 HG21 VAL 9 HG21 VAL 9 -0.919 -6.040 8.565 83 HG22 VAL 9 HG22 VAL 9 0.675 -6.205 9.329 84 HG23 VAL 9 HG23 VAL 9 -0.484 -7.553 9.394 85 H VAL 10 H VAL 10 -3.138 -3.976 11.768 86 HA VAL 10 HA VAL 10 -3.269 -4.660 14.575 87 HB VAL 10 HB VAL 10 -4.318 -2.319 12.928 88 HG11 VAL 10 HG11 VAL 10 -4.233 -2.663 15.948 89 HG12 VAL 10 HG12 VAL 10 -4.552 -1.137 15.102 90 HG13 VAL 10 HG13 VAL 10 -5.694 -2.487 14.936 91 HG21 VAL 10 HG21 VAL 10 -1.842 -2.568 13.083 92 HG22 VAL 10 HG22 VAL 10 -2.408 -1.133 13.962 93 HG23 VAL 10 HG23 VAL 10 -1.966 -2.606 14.854 94 H GLY 11 H GLY 11 -5.535 -4.749 11.849 95 HA2 GLY 11 HA2 GLY 11 -7.960 -4.923 13.319 96 HA3 GLY 11 HA3 GLY 11 -7.681 -5.547 11.678 97 H ALA 12 H ALA 12 -5.440 -7.330 12.602 98 HA ALA 12 HA ALA 12 -7.014 -9.639 13.271 99 HB1 ALA 12 HB1 ALA 12 -4.951 -9.723 11.909 100 HB2 ALA 12 HB2 ALA 12 -4.002 -9.190 13.323 101 HB3 ALA 12 HB3 ALA 12 -4.824 -10.767 13.341 102 H LEU 13 H LEU 13 -5.252 -7.220 15.124 103 HA LEU 13 HA LEU 13 -5.257 -8.776 17.596 104 HB2 LEU 13 HB2 LEU 13 -4.685 -5.819 17.161 105 HB3 LEU 13 HB3 LEU 13 -4.258 -6.792 18.572 106 HG LEU 13 HG LEU 13 -3.160 -7.186 15.753 107 HD11 LEU 13 HD11 LEU 13 -1.069 -6.310 16.716 108 HD12 LEU 13 HD12 LEU 13 -2.379 -5.114 16.845 109 HD13 LEU 13 HD13 LEU 13 -1.883 -6.053 18.275 110 HD21 LEU 13 HD21 LEU 13 -3.216 -9.305 17.024 111 HD22 LEU 13 HD22 LEU 13 -1.550 -8.711 16.872 112 HD23 LEU 13 HD23 LEU 13 -2.428 -8.501 18.406 113 H GLY 14 H GLY 14 -7.750 -7.485 15.914 114 HA2 GLY 14 HA2 GLY 14 -9.927 -7.089 16.593 115 HA3 GLY 14 HA3 GLY 14 -9.406 -7.143 18.291 116 HN1 NH2 15 HN1 NH2 15 -7.386 -5.044 16.491 117 HN2 NH2 15 HN2 NH2 15 -8.169 -3.536 16.908 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 2.311 4.275 -1.109 2 H2 GLY 1 H2 GLY 1 1.941 2.664 -1.129 3 H3 GLY 1 H3 GLY 1 3.448 3.160 -0.696 4 HA2 GLY 1 HA2 GLY 1 2.596 4.265 1.251 5 HA3 GLY 1 HA3 GLY 1 0.973 3.710 0.794 6 H LEU 2 H LEU 2 1.432 2.904 3.172 7 HA LEU 2 HA LEU 2 1.957 0.021 2.935 8 HB2 LEU 2 HB2 LEU 2 4.198 0.950 3.373 9 HB3 LEU 2 HB3 LEU 2 3.559 1.856 4.751 10 HG LEU 2 HG LEU 2 3.032 -0.241 5.935 11 HD11 LEU 2 HD11 LEU 2 2.646 -1.730 4.002 12 HD12 LEU 2 HD12 LEU 2 4.353 -1.570 3.526 13 HD13 LEU 2 HD13 LEU 2 3.917 -2.392 5.043 14 HD21 LEU 2 HD21 LEU 2 5.224 0.856 6.228 15 HD22 LEU 2 HD22 LEU 2 5.364 -0.909 6.367 16 HD23 LEU 2 HD23 LEU 2 5.879 -0.097 4.873 17 H PHE 3 H PHE 3 0.821 2.840 4.799 18 HA PHE 3 HA PHE 3 0.014 1.417 7.060 19 HB2 PHE 3 HB2 PHE 3 -0.675 4.093 5.986 20 HB3 PHE 3 HB3 PHE 3 -1.657 3.407 7.283 21 HD1 PHE 3 HD1 PHE 3 1.598 4.862 6.457 22 HD2 PHE 3 HD2 PHE 3 -0.663 2.720 9.410 23 HE1 PHE 3 HE1 PHE 3 3.274 5.483 8.190 24 HE2 PHE 3 HE2 PHE 3 1.007 3.330 11.145 25 HZ PHE 3 HZ PHE 3 2.981 4.714 10.530 26 H ASP 4 H ASP 4 -1.646 1.408 4.004 27 HA ASP 4 HA ASP 4 -4.208 0.730 5.089 28 HB2 ASP 4 HB2 ASP 4 -3.725 1.464 2.729 29 HB3 ASP 4 HB3 ASP 4 -2.911 -0.074 2.443 30 H ILE 5 H ILE 5 -1.217 -1.054 4.492 31 HA ILE 5 HA ILE 5 -2.409 -3.681 4.974 32 HB ILE 5 HB ILE 5 0.454 -2.680 4.749 33 HG12 ILE 5 HG12 ILE 5 -1.269 -4.310 2.844 34 HG13 ILE 5 HG13 ILE 5 -0.970 -2.570 2.691 35 HG21 ILE 5 HG21 ILE 5 1.109 -5.051 4.626 36 HG22 ILE 5 HG22 ILE 5 0.363 -4.682 6.182 37 HG23 ILE 5 HG23 ILE 5 -0.577 -5.538 4.935 38 HD11 ILE 5 HD11 ILE 5 0.517 -3.785 1.199 39 HD12 ILE 5 HD12 ILE 5 1.464 -3.012 2.484 40 HD13 ILE 5 HD13 ILE 5 1.141 -4.764 2.540 41 H VAL 6 H VAL 6 -0.594 -1.203 6.820 42 HA VAL 6 HA VAL 6 -0.121 -2.822 9.119 43 HB VAL 6 HB VAL 6 -0.458 0.198 8.902 44 HG11 VAL 6 HG11 VAL 6 0.867 -1.518 11.047 45 HG12 VAL 6 HG12 VAL 6 0.908 0.257 10.966 46 HG13 VAL 6 HG13 VAL 6 -0.635 -0.570 11.235 47 HG21 VAL 6 HG21 VAL 6 1.316 -0.683 7.433 48 HG22 VAL 6 HG22 VAL 6 2.010 0.202 8.806 49 HG23 VAL 6 HG23 VAL 6 2.012 -1.579 8.802 50 H LYS 7 H LYS 7 -2.931 -0.783 8.173 51 HA LYS 7 HA LYS 7 -4.288 -1.067 10.690 52 HB2 LYS 7 HB2 LYS 7 -5.289 -0.496 7.872 53 HB3 LYS 7 HB3 LYS 7 -6.321 -0.469 9.303 54 HG2 LYS 7 HG2 LYS 7 -3.911 1.330 8.825 55 HG3 LYS 7 HG3 LYS 7 -5.620 1.788 8.718 56 HD2 LYS 7 HD2 LYS 7 -5.827 1.035 11.166 57 HD3 LYS 7 HD3 LYS 7 -4.050 1.002 11.200 58 HE2 LYS 7 HE2 LYS 7 -5.798 3.390 10.496 59 HE3 LYS 7 HE3 LYS 7 -4.965 3.144 12.037 60 HZ1 LYS 7 HZ1 LYS 7 -3.728 4.594 10.600 61 HZ2 LYS 7 HZ2 LYS 7 -2.878 3.216 10.859 62 HZ3 LYS 7 HZ3 LYS 7 -3.649 3.459 9.420 63 H LYS 8 H LYS 8 -3.995 -3.189 7.879 64 HA LYS 8 HA LYS 8 -6.193 -4.910 8.683 65 HB2 LYS 8 HB2 LYS 8 -5.478 -4.721 6.354 66 HB3 LYS 8 HB3 LYS 8 -3.860 -5.320 6.768 67 HG2 LYS 8 HG2 LYS 8 -4.805 -7.464 7.521 68 HG3 LYS 8 HG3 LYS 8 -6.436 -6.916 7.111 69 HD2 LYS 8 HD2 LYS 8 -4.178 -7.059 5.068 70 HD3 LYS 8 HD3 LYS 8 -5.203 -8.440 5.454 71 HE2 LYS 8 HE2 LYS 8 -6.109 -7.457 3.497 72 HE3 LYS 8 HE3 LYS 8 -7.219 -7.127 4.826 73 HZ1 LYS 8 HZ1 LYS 8 -5.238 -5.231 3.737 74 HZ2 LYS 8 HZ2 LYS 8 -6.843 -5.217 3.404 75 HZ3 LYS 8 HZ3 LYS 8 -6.340 -4.900 4.927 76 H VAL 9 H VAL 9 -2.705 -4.739 9.355 77 HA VAL 9 HA VAL 9 -2.566 -7.369 10.591 78 HB VAL 9 HB VAL 9 -0.794 -4.891 10.679 79 HG11 VAL 9 HG11 VAL 9 -0.277 -7.664 11.823 80 HG12 VAL 9 HG12 VAL 9 0.935 -6.371 11.658 81 HG13 VAL 9 HG13 VAL 9 -0.446 -6.155 12.751 82 HG21 VAL 9 HG21 VAL 9 0.671 -6.264 9.240 83 HG22 VAL 9 HG22 VAL 9 -0.501 -7.606 9.315 84 HG23 VAL 9 HG23 VAL 9 -0.928 -6.088 8.494 85 H VAL 10 H VAL 10 -3.093 -3.999 11.733 86 HA VAL 10 HA VAL 10 -3.201 -4.707 14.535 87 HB VAL 10 HB VAL 10 -4.199 -2.331 12.913 88 HG11 VAL 10 HG11 VAL 10 -4.110 -2.701 15.940 89 HG12 VAL 10 HG12 VAL 10 -4.415 -1.164 15.106 90 HG13 VAL 10 HG13 VAL 10 -5.575 -2.494 14.948 91 HG21 VAL 10 HG21 VAL 10 -1.733 -2.623 13.056 92 HG22 VAL 10 HG22 VAL 10 -2.271 -1.201 13.980 93 HG23 VAL 10 HG23 VAL 10 -1.857 -2.703 14.828 94 H GLY 11 H GLY 11 -5.513 -4.721 11.837 95 HA2 GLY 11 HA2 GLY 11 -7.918 -4.849 13.350 96 HA3 GLY 11 HA3 GLY 11 -7.674 -5.461 11.700 97 H ALA 12 H ALA 12 -5.482 -7.316 12.555 98 HA ALA 12 HA ALA 12 -7.111 -9.583 13.252 99 HB1 ALA 12 HB1 ALA 12 -4.082 -9.223 13.234 100 HB2 ALA 12 HB2 ALA 12 -4.955 -10.774 13.263 101 HB3 ALA 12 HB3 ALA 12 -5.074 -9.718 11.842 102 H LEU 13 H LEU 13 -5.223 -7.240 15.079 103 HA LEU 13 HA LEU 13 -5.242 -8.811 17.540 104 HB2 LEU 13 HB2 LEU 13 -4.598 -5.870 17.107 105 HB3 LEU 13 HB3 LEU 13 -4.175 -6.850 18.512 106 HG LEU 13 HG LEU 13 -3.132 -7.261 15.668 107 HD11 LEU 13 HD11 LEU 13 -1.788 -6.176 18.173 108 HD12 LEU 13 HD12 LEU 13 -1.002 -6.462 16.606 109 HD13 LEU 13 HD13 LEU 13 -2.273 -5.225 16.749 110 HD21 LEU 13 HD21 LEU 13 -1.547 -8.830 16.758 111 HD22 LEU 13 HD22 LEU 13 -2.402 -8.613 18.306 112 HD23 LEU 13 HD23 LEU 13 -3.225 -9.378 16.927 113 H GLY 14 H GLY 14 -7.713 -7.428 15.897 114 HA2 GLY 14 HA2 GLY 14 -9.870 -7.000 16.609 115 HA3 GLY 14 HA3 GLY 14 -9.332 -7.066 18.299 116 HN1 NH2 15 HN1 NH2 15 -7.275 -5.009 16.500 117 HN2 NH2 15 HN2 NH2 15 -8.033 -3.487 16.914
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