NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
614402 | 5u9r | 30212 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -14.471 7.093 -4.924 2 H2 GLY 1 2HT GLY 1 -15.417 5.846 -5.585 3 H3 GLY 1 3HT GLY 1 -14.259 6.637 -6.543 4 HA2 GLY 1 2HA GLY 1 -13.816 4.739 -4.318 5 HA3 GLY 1 1HA GLY 1 -13.261 4.614 -5.988 6 H VAL 2 H VAL 2 -12.906 7.754 -5.452 7 HA VAL 2 HA VAL 2 -10.117 7.764 -5.343 8 HB VAL 2 HB VAL 2 -11.931 9.983 -4.377 9 HG11 VAL 2 1HG1 VAL 2 -9.178 9.998 -5.654 10 HG12 VAL 2 2HG1 VAL 2 -9.506 10.267 -3.942 11 HG13 VAL 2 3HG1 VAL 2 -10.089 11.419 -5.143 12 HG21 VAL 2 1HG2 VAL 2 -12.696 9.216 -6.565 13 HG22 VAL 2 2HG2 VAL 2 -11.043 9.228 -7.179 14 HG23 VAL 2 3HG2 VAL 2 -11.838 10.745 -6.759 15 H VAL 3 H VAL 3 -12.493 7.699 -2.780 16 HA VAL 3 HA VAL 3 -10.825 8.479 -0.643 17 HB VAL 3 HB VAL 3 -13.249 6.669 -0.633 18 HG11 VAL 3 1HG1 VAL 3 -11.727 8.097 1.560 19 HG12 VAL 3 2HG1 VAL 3 -12.072 6.372 1.434 20 HG13 VAL 3 3HG1 VAL 3 -13.377 7.510 1.768 21 HG21 VAL 3 1HG2 VAL 3 -13.463 9.048 -1.569 22 HG22 VAL 3 2HG2 VAL 3 -13.078 9.610 0.058 23 HG23 VAL 3 3HG2 VAL 3 -14.526 8.644 -0.221 24 H ASP 4 H ASP 4 -11.401 5.387 -2.214 25 HA ASP 4 HA ASP 4 -10.096 3.772 -0.267 26 HB2 ASP 4 2HB ASP 4 -11.690 2.904 -1.968 27 HB3 ASP 4 1HB ASP 4 -10.477 3.217 -3.216 28 H ILE 5 H ILE 5 -8.969 5.621 -3.020 29 HA ILE 5 HA ILE 5 -6.412 4.384 -3.170 30 HB ILE 5 HB ILE 5 -7.431 7.001 -4.265 31 HG12 ILE 5 2HG1 ILE 5 -6.842 4.358 -5.639 32 HG13 ILE 5 1HG1 ILE 5 -8.456 4.850 -5.106 33 HG21 ILE 5 1HG2 ILE 5 -5.385 6.723 -5.785 34 HG22 ILE 5 2HG2 ILE 5 -4.799 5.549 -4.607 35 HG23 ILE 5 3HG2 ILE 5 -5.058 7.226 -4.127 36 HD11 ILE 5 1HD1 ILE 5 -8.394 6.798 -6.562 37 HD12 ILE 5 2HD1 ILE 5 -8.017 5.366 -7.519 38 HD13 ILE 5 3HD1 ILE 5 -6.724 6.453 -7.013 39 H LEU 6 H LEU 6 -7.674 7.183 -1.464 40 HA LEU 6 HA LEU 6 -5.151 8.257 -0.774 41 HB2 LEU 6 2HB LEU 6 -6.322 9.892 0.307 42 HB3 LEU 6 1HB LEU 6 -7.619 9.251 -0.696 43 HG LEU 6 HG LEU 6 -8.146 7.694 1.293 44 HD11 LEU 6 1HD1 LEU 6 -7.259 9.542 3.302 45 HD12 LEU 6 2HD1 LEU 6 -5.855 9.067 2.351 46 HD13 LEU 6 3HD1 LEU 6 -6.844 7.839 3.135 47 HD21 LEU 6 1HD2 LEU 6 -9.627 9.313 2.225 48 HD22 LEU 6 2HD2 LEU 6 -9.395 9.808 0.550 49 HD23 LEU 6 3HD2 LEU 6 -8.534 10.642 1.841 50 H LYS 7 H LYS 7 -7.415 6.191 1.097 51 HA LYS 7 HA LYS 7 -5.546 5.923 3.251 52 HB2 LYS 7 2HB LYS 7 -7.224 4.305 4.095 53 HB3 LYS 7 1HB LYS 7 -7.905 5.879 3.733 54 HG2 LYS 7 2HG LYS 7 -8.153 4.571 1.322 55 HG3 LYS 7 1HG LYS 7 -8.434 3.266 2.473 56 HD2 LYS 7 2HD LYS 7 -9.860 5.944 2.506 57 HD3 LYS 7 1HD LYS 7 -10.540 4.447 1.868 58 HE2 LYS 7 2HE LYS 7 -10.006 3.451 4.202 59 HE3 LYS 7 1HE LYS 7 -9.859 5.129 4.725 60 HZ1 LYS 7 1HZ LYS 7 -12.195 4.675 3.139 61 HZ2 LYS 7 2HZ LYS 7 -12.049 5.395 4.671 62 HZ3 LYS 7 3HZ LYS 7 -12.175 3.707 4.532 63 H GLY 8 H GLY 8 -6.377 4.156 0.350 64 HA2 GLY 8 2HA GLY 8 -5.103 1.699 1.104 65 HA3 GLY 8 1HA GLY 8 -5.614 2.155 -0.518 66 H ALA 9 H ALA 9 -4.081 4.663 -0.473 67 HA ALA 9 HA ALA 9 -1.719 3.818 -1.692 68 HB1 ALA 9 1HB ALA 9 -2.480 6.035 -2.120 69 HB2 ALA 9 2HB ALA 9 -0.949 6.204 -1.260 70 HB3 ALA 9 3HB ALA 9 -2.473 6.443 -0.404 71 H ALA 10 H ALA 10 -2.248 4.961 1.635 72 HA ALA 10 HA ALA 10 0.453 4.698 2.447 73 HB1 ALA 10 1HB ALA 10 -2.044 4.619 4.154 74 HB2 ALA 10 2HB ALA 10 -1.216 6.090 3.643 75 HB3 ALA 10 3HB ALA 10 -0.405 4.948 4.715 76 H LYS 11 H LYS 11 -2.392 2.633 3.079 77 HA LYS 11 HA LYS 11 -1.102 0.586 4.433 78 HB2 LYS 11 2HB LYS 11 -3.606 0.881 2.874 79 HB3 LYS 11 1HB LYS 11 -3.039 -0.764 3.125 80 HG2 LYS 11 2HG LYS 11 -2.953 -0.402 5.548 81 HG3 LYS 11 1HG LYS 11 -3.427 1.282 5.326 82 HD2 LYS 11 2HD LYS 11 -5.486 0.313 5.821 83 HD3 LYS 11 1HD LYS 11 -5.493 0.221 4.061 84 HE2 LYS 11 2HE LYS 11 -6.160 -1.939 4.940 85 HE3 LYS 11 1HE LYS 11 -4.549 -2.101 4.242 86 HZ1 LYS 11 1HZ LYS 11 -5.375 -2.140 7.048 87 HZ2 LYS 11 2HZ LYS 11 -3.854 -1.478 6.680 88 HZ3 LYS 11 3HZ LYS 11 -4.212 -3.081 6.249 89 H ASP 12 H ASP 12 -1.284 1.278 1.024 90 HA ASP 12 HA ASP 12 -0.397 -1.197 0.009 91 HB2 ASP 12 2HB ASP 12 -1.372 0.647 -1.363 92 HB3 ASP 12 1HB ASP 12 0.126 1.550 -1.148 93 H ILE 13 H ILE 13 1.352 1.637 1.204 94 HA ILE 13 HA ILE 13 3.938 0.962 0.396 95 HB ILE 13 HB ILE 13 3.053 2.339 2.944 96 HG12 ILE 13 2HG1 ILE 13 4.018 3.522 0.322 97 HG13 ILE 13 1HG1 ILE 13 2.307 3.336 0.733 98 HG21 ILE 13 1HG2 ILE 13 5.375 3.352 2.762 99 HG22 ILE 13 2HG2 ILE 13 5.733 2.121 1.551 100 HG23 ILE 13 3HG2 ILE 13 5.340 1.645 3.203 101 HD11 ILE 13 1HD1 ILE 13 2.956 5.580 1.343 102 HD12 ILE 13 2HD1 ILE 13 4.376 4.991 2.206 103 HD13 ILE 13 3HD1 ILE 13 2.762 4.663 2.836 104 H ALA 14 H ALA 14 2.189 0.061 3.360 105 HA ALA 14 HA ALA 14 4.260 -1.416 4.558 106 HB1 ALA 14 1HB ALA 14 2.383 -2.544 5.806 107 HB2 ALA 14 2HB ALA 14 1.255 -1.643 4.794 108 HB3 ALA 14 3HB ALA 14 2.352 -0.782 5.873 109 H GLY 15 H GLY 15 1.629 -2.412 2.388 110 HA2 GLY 15 2HA GLY 15 2.308 -5.180 2.379 111 HA3 GLY 15 1HA GLY 15 1.275 -4.363 1.210 112 H HIS 16 H HIS 16 3.490 -2.399 0.662 113 HA HIS 16 HA HIS 16 4.650 -3.771 -1.547 114 HB2 HIS 16 2HB HIS 16 4.155 -1.213 -1.152 115 HB3 HIS 16 1HB HIS 16 5.789 -1.232 -0.504 116 HD2 HIS 16 2HD HIS 16 7.201 -0.163 -2.660 117 HE1 HIS 16 1HE HIS 16 5.763 -2.815 -5.613 118 HE2 HIS 16 2HE HIS 16 7.407 -0.936 -5.145 119 H LEU 17 H LEU 17 5.933 -2.614 1.558 120 HA LEU 17 HA LEU 17 8.597 -3.284 1.245 121 HB2 LEU 17 2HB LEU 17 7.854 -2.067 3.184 122 HB3 LEU 17 1HB LEU 17 6.875 -3.432 3.699 123 HG LEU 17 HG LEU 17 8.859 -4.792 4.071 124 HD11 LEU 17 1HD1 LEU 17 10.398 -4.167 2.409 125 HD12 LEU 17 2HD1 LEU 17 11.116 -3.485 3.867 126 HD13 LEU 17 3HD1 LEU 17 10.221 -2.447 2.757 127 HD21 LEU 17 1HD2 LEU 17 9.190 -2.012 5.243 128 HD22 LEU 17 2HD2 LEU 17 9.898 -3.491 5.892 129 HD23 LEU 17 3HD2 LEU 17 8.147 -3.278 5.892 130 H ALA 18 H ALA 18 5.875 -5.336 2.165 131 HA ALA 18 HA ALA 18 7.318 -7.660 2.810 132 HB1 ALA 18 1HB ALA 18 5.021 -7.624 3.396 133 HB2 ALA 18 2HB ALA 18 5.144 -8.827 2.113 134 HB3 ALA 18 3HB ALA 18 4.527 -7.214 1.754 135 H SER 19 H SER 19 6.187 -6.365 -0.271 136 HA SER 19 HA SER 19 6.677 -8.599 -1.892 137 HB2 SER 19 2HB SER 19 5.942 -7.193 -3.487 138 HB3 SER 19 1HB SER 19 5.900 -5.920 -2.273 139 HG SER 19 HG SER 19 8.169 -5.602 -2.770 140 H LYS 20 H LYS 20 8.813 -5.815 -1.174 141 HA LYS 20 HA LYS 20 11.041 -6.613 -2.616 142 HB2 LYS 20 2HB LYS 20 11.518 -5.444 0.073 143 HB3 LYS 20 1HB LYS 20 12.137 -4.936 -1.499 144 HG2 LYS 20 2HG LYS 20 9.239 -4.597 -0.684 145 HG3 LYS 20 1HG LYS 20 10.452 -3.370 -0.413 146 HD2 LYS 20 2HD LYS 20 10.835 -3.033 -2.704 147 HD3 LYS 20 1HD LYS 20 10.113 -4.585 -3.125 148 HE2 LYS 20 2HE LYS 20 8.709 -2.463 -3.582 149 HE3 LYS 20 1HE LYS 20 7.912 -3.795 -2.746 150 HZ1 LYS 20 1HZ LYS 20 7.381 -2.008 -1.428 151 HZ2 LYS 20 2HZ LYS 20 8.875 -1.234 -1.666 152 HZ3 LYS 20 3HZ LYS 20 8.769 -2.588 -0.644 153 H VAL 21 H VAL 21 10.065 -7.530 0.669 154 HA VAL 21 HA VAL 21 12.348 -9.067 1.287 155 HB VAL 21 HB VAL 21 9.512 -9.340 2.306 156 HG11 VAL 21 1HG1 VAL 21 10.761 -10.321 4.308 157 HG12 VAL 21 2HG1 VAL 21 12.167 -10.442 3.251 158 HG13 VAL 21 3HG1 VAL 21 10.697 -11.339 2.870 159 HG21 VAL 21 1HG2 VAL 21 10.713 -7.093 2.563 160 HG22 VAL 21 2HG2 VAL 21 11.868 -7.941 3.592 161 HG23 VAL 21 3HG2 VAL 21 10.170 -7.852 4.060 162 H MET 22 H MET 22 9.317 -9.843 -0.337 163 HA MET 22 HA MET 22 9.684 -12.654 -0.411 164 HB2 MET 22 2HB MET 22 8.034 -10.771 -2.098 165 HB3 MET 22 1HB MET 22 8.009 -12.522 -2.310 166 HG2 MET 22 2HG MET 22 7.150 -12.879 -0.118 167 HG3 MET 22 1HG MET 22 7.513 -11.225 0.375 168 HE1 MET 22 1HE MET 22 5.851 -12.183 -3.209 169 HE2 MET 22 2HE MET 22 4.301 -12.677 -2.532 170 HE3 MET 22 3HE MET 22 5.779 -13.483 -2.011 171 H ASN 23 H ASN 23 10.401 -10.073 -2.743 172 HA ASN 23 HA ASN 23 11.229 -11.439 -4.943 173 HB2 ASN 23 2HB ASN 23 12.358 -8.999 -3.602 174 HB3 ASN 23 1HB ASN 23 13.084 -9.623 -5.082 175 HD21 ASN 23 1HD2 ASN 23 9.939 -8.504 -3.747 176 HD22 ASN 23 2HD2 ASN 23 9.321 -7.988 -5.241 177 HN1 NH2 24 HN1 NH2 24 13.331 -10.872 -2.064 178 HN2 NH2 24 HN2 NH2 24 14.418 -12.120 -2.440 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -15.390 6.759 -2.105 2 H2 GLY 1 2HT GLY 1 -16.664 7.068 -1.025 3 H3 GLY 1 3HT GLY 1 -15.127 6.651 -0.432 4 HA2 GLY 1 2HA GLY 1 -15.967 9.173 -1.733 5 HA3 GLY 1 1HA GLY 1 -15.274 8.955 -0.126 6 H VAL 2 H VAL 2 -14.113 10.759 -1.826 7 HA VAL 2 HA VAL 2 -12.122 9.924 -3.558 8 HB VAL 2 HB VAL 2 -11.973 12.220 -1.589 9 HG11 VAL 2 1HG1 VAL 2 -10.484 13.183 -3.384 10 HG12 VAL 2 2HG1 VAL 2 -10.500 11.600 -4.165 11 HG13 VAL 2 3HG1 VAL 2 -9.800 11.783 -2.557 12 HG21 VAL 2 1HG2 VAL 2 -12.773 13.505 -3.643 13 HG22 VAL 2 2HG2 VAL 2 -13.975 12.458 -2.889 14 HG23 VAL 2 3HG2 VAL 2 -13.157 11.941 -4.362 15 H VAL 3 H VAL 3 -12.030 10.160 -0.023 16 HA VAL 3 HA VAL 3 -9.328 9.649 0.411 17 HB VAL 3 HB VAL 3 -10.900 10.279 2.198 18 HG11 VAL 3 1HG1 VAL 3 -11.869 7.414 2.100 19 HG12 VAL 3 2HG1 VAL 3 -12.730 8.734 1.309 20 HG13 VAL 3 3HG1 VAL 3 -12.518 8.742 3.060 21 HG21 VAL 3 1HG2 VAL 3 -8.716 9.000 2.613 22 HG22 VAL 3 2HG2 VAL 3 -9.717 7.565 2.823 23 HG23 VAL 3 3HG2 VAL 3 -9.908 8.940 3.910 24 H ASP 4 H ASP 4 -11.997 7.385 -0.130 25 HA ASP 4 HA ASP 4 -10.808 4.970 0.411 26 HB2 ASP 4 2HB ASP 4 -13.166 5.330 -0.376 27 HB3 ASP 4 1HB ASP 4 -12.530 5.505 -2.017 28 H ILE 5 H ILE 5 -10.210 7.117 -2.279 29 HA ILE 5 HA ILE 5 -8.705 5.209 -3.792 30 HB ILE 5 HB ILE 5 -8.867 8.208 -4.075 31 HG12 ILE 5 2HG1 ILE 5 -10.336 6.065 -5.637 32 HG13 ILE 5 1HG1 ILE 5 -11.045 6.897 -4.244 33 HG21 ILE 5 1HG2 ILE 5 -6.926 7.361 -5.231 34 HG22 ILE 5 2HG2 ILE 5 -8.176 7.644 -6.443 35 HG23 ILE 5 3HG2 ILE 5 -7.844 6.005 -5.886 36 HD11 ILE 5 1HD1 ILE 5 -10.877 9.034 -5.343 37 HD12 ILE 5 2HD1 ILE 5 -11.624 7.920 -6.488 38 HD13 ILE 5 3HD1 ILE 5 -9.920 8.347 -6.656 39 H LEU 6 H LEU 6 -7.847 8.176 -2.063 40 HA LEU 6 HA LEU 6 -5.067 7.876 -2.338 41 HB2 LEU 6 2HB LEU 6 -4.908 9.808 -1.108 42 HB3 LEU 6 1HB LEU 6 -6.597 9.910 -1.602 43 HG LEU 6 HG LEU 6 -7.101 8.626 0.601 44 HD11 LEU 6 1HD1 LEU 6 -4.969 9.806 2.085 45 HD12 LEU 6 2HD1 LEU 6 -4.233 8.873 0.783 46 HD13 LEU 6 3HD1 LEU 6 -5.344 8.094 1.907 47 HD21 LEU 6 1HD2 LEU 6 -6.025 11.447 0.867 48 HD22 LEU 6 2HD2 LEU 6 -7.334 10.706 1.788 49 HD23 LEU 6 3HD2 LEU 6 -7.558 11.074 0.078 50 H LYS 7 H LYS 7 -7.322 6.573 0.009 51 HA LYS 7 HA LYS 7 -5.218 5.761 1.831 52 HB2 LYS 7 2HB LYS 7 -6.972 5.774 3.244 53 HB3 LYS 7 1HB LYS 7 -8.132 5.825 1.927 54 HG2 LYS 7 2HG LYS 7 -6.750 3.268 2.767 55 HG3 LYS 7 1HG LYS 7 -8.269 3.801 3.474 56 HD2 LYS 7 2HD LYS 7 -8.414 3.986 0.590 57 HD3 LYS 7 1HD LYS 7 -7.923 2.361 1.060 58 HE2 LYS 7 2HE LYS 7 -10.278 3.788 2.320 59 HE3 LYS 7 1HE LYS 7 -10.435 2.733 0.915 60 HZ1 LYS 7 1HZ LYS 7 -9.360 1.978 3.577 61 HZ2 LYS 7 2HZ LYS 7 -9.389 0.958 2.219 62 HZ3 LYS 7 3HZ LYS 7 -10.844 1.492 2.914 63 H GLY 8 H GLY 8 -6.935 4.394 -0.874 64 HA2 GLY 8 2HA GLY 8 -6.341 1.663 -0.460 65 HA3 GLY 8 1HA GLY 8 -6.679 2.412 -2.017 66 H ALA 9 H ALA 9 -4.504 4.300 -1.918 67 HA ALA 9 HA ALA 9 -2.462 2.771 -3.106 68 HB1 ALA 9 1HB ALA 9 -1.220 4.808 -3.237 69 HB2 ALA 9 2HB ALA 9 -2.119 5.517 -1.895 70 HB3 ALA 9 3HB ALA 9 -2.917 5.241 -3.444 71 H ALA 10 H ALA 10 -2.884 3.997 0.175 72 HA ALA 10 HA ALA 10 -0.329 3.531 1.194 73 HB1 ALA 10 1HB ALA 10 -3.009 3.263 2.577 74 HB2 ALA 10 2HB ALA 10 -2.030 4.725 2.468 75 HB3 ALA 10 3HB ALA 10 -1.451 3.345 3.399 76 H LYS 11 H LYS 11 -3.086 1.315 0.877 77 HA LYS 11 HA LYS 11 -2.009 -0.877 2.227 78 HB2 LYS 11 2HB LYS 11 -4.117 -0.433 0.180 79 HB3 LYS 11 1HB LYS 11 -3.530 -2.079 0.370 80 HG2 LYS 11 2HG LYS 11 -4.092 -2.096 2.714 81 HG3 LYS 11 1HG LYS 11 -4.436 -0.366 2.691 82 HD2 LYS 11 2HD LYS 11 -6.516 -1.724 2.629 83 HD3 LYS 11 1HD LYS 11 -6.332 -0.734 1.182 84 HE2 LYS 11 2HE LYS 11 -6.991 -3.239 0.893 85 HE3 LYS 11 1HE LYS 11 -5.741 -2.572 -0.157 86 HZ1 LYS 11 1HZ LYS 11 -4.923 -3.731 2.403 87 HZ2 LYS 11 2HZ LYS 11 -4.101 -3.697 0.916 88 HZ3 LYS 11 3HZ LYS 11 -5.375 -4.795 1.161 89 H ASP 12 H ASP 12 -1.524 0.303 -1.020 90 HA ASP 12 HA ASP 12 -0.269 -1.967 -2.130 91 HB2 ASP 12 2HB ASP 12 -1.105 0.161 -3.312 92 HB3 ASP 12 1HB ASP 12 0.445 0.868 -2.860 93 H ILE 13 H ILE 13 0.929 0.659 -0.128 94 HA ILE 13 HA ILE 13 3.692 0.266 -0.493 95 HB ILE 13 HB ILE 13 2.356 1.165 2.066 96 HG12 ILE 13 2HG1 ILE 13 3.046 2.778 -0.416 97 HG13 ILE 13 1HG1 ILE 13 1.409 2.376 0.123 98 HG21 ILE 13 1HG2 ILE 13 4.984 1.972 0.790 99 HG22 ILE 13 2HG2 ILE 13 4.843 0.732 2.035 100 HG23 ILE 13 3HG2 ILE 13 4.408 2.401 2.399 101 HD11 ILE 13 1HD1 ILE 13 3.446 4.074 1.593 102 HD12 ILE 13 2HD1 ILE 13 1.919 3.543 2.296 103 HD13 ILE 13 3HD1 ILE 13 1.919 4.614 0.896 104 H ALA 14 H ALA 14 1.378 -1.223 1.735 105 HA ALA 14 HA ALA 14 3.185 -2.641 3.339 106 HB1 ALA 14 1HB ALA 14 0.668 -2.354 3.665 107 HB2 ALA 14 2HB ALA 14 1.330 -3.946 4.039 108 HB3 ALA 14 3HB ALA 14 0.474 -3.682 2.520 109 H GLY 15 H GLY 15 1.609 -3.549 0.287 110 HA2 GLY 15 2HA GLY 15 2.603 -6.181 0.130 111 HA3 GLY 15 1HA GLY 15 2.077 -5.208 -1.238 112 H HIS 16 H HIS 16 4.089 -3.098 -0.477 113 HA HIS 16 HA HIS 16 6.224 -4.047 -2.120 114 HB2 HIS 16 2HB HIS 16 5.297 -1.609 -1.688 115 HB3 HIS 16 1HB HIS 16 6.515 -1.629 -0.420 116 HD2 HIS 16 2HD HIS 16 8.482 -0.093 -1.695 117 HE1 HIS 16 1HE HIS 16 8.808 -2.459 -5.176 118 HE2 HIS 16 2HE HIS 16 9.806 -0.497 -3.909 119 H LEU 17 H LEU 17 6.032 -3.112 1.314 120 HA LEU 17 HA LEU 17 8.626 -3.698 2.070 121 HB2 LEU 17 2HB LEU 17 6.825 -2.646 3.493 122 HB3 LEU 17 1HB LEU 17 6.218 -4.275 3.760 123 HG LEU 17 HG LEU 17 8.701 -4.806 4.445 124 HD11 LEU 17 1HD1 LEU 17 9.689 -2.681 3.808 125 HD12 LEU 17 2HD1 LEU 17 9.737 -2.808 5.565 126 HD13 LEU 17 3HD1 LEU 17 8.520 -1.797 4.789 127 HD21 LEU 17 1HD2 LEU 17 6.695 -3.261 6.105 128 HD22 LEU 17 2HD2 LEU 17 8.151 -3.976 6.796 129 HD23 LEU 17 3HD2 LEU 17 6.933 -5.008 6.048 130 H ALA 18 H ALA 18 5.897 -5.878 1.602 131 HA ALA 18 HA ALA 18 7.041 -8.193 2.729 132 HB1 ALA 18 1HB ALA 18 4.676 -8.117 2.199 133 HB2 ALA 18 2HB ALA 18 5.424 -9.415 1.266 134 HB3 ALA 18 3HB ALA 18 5.031 -7.882 0.487 135 H SER 19 H SER 19 7.321 -6.698 -0.443 136 HA SER 19 HA SER 19 8.598 -8.822 -1.782 137 HB2 SER 19 2HB SER 19 8.473 -7.378 -3.501 138 HB3 SER 19 1HB SER 19 7.827 -6.181 -2.383 139 HG SER 19 HG SER 19 10.352 -6.446 -3.463 140 H LYS 20 H LYS 20 9.980 -5.950 -0.147 141 HA LYS 20 HA LYS 20 12.671 -6.518 -0.534 142 HB2 LYS 20 2HB LYS 20 11.857 -5.441 2.115 143 HB3 LYS 20 1HB LYS 20 13.059 -4.832 0.975 144 HG2 LYS 20 2HG LYS 20 10.082 -4.711 0.429 145 HG3 LYS 20 1HG LYS 20 10.945 -3.427 1.241 146 HD2 LYS 20 2HD LYS 20 12.249 -2.913 -0.630 147 HD3 LYS 20 1HD LYS 20 11.986 -4.501 -1.345 148 HE2 LYS 20 2HE LYS 20 9.648 -3.944 -1.807 149 HE3 LYS 20 1HE LYS 20 9.843 -2.383 -1.011 150 HZ1 LYS 20 1HZ LYS 20 10.635 -1.535 -2.879 151 HZ2 LYS 20 2HZ LYS 20 10.351 -3.012 -3.669 152 HZ3 LYS 20 3HZ LYS 20 11.858 -2.707 -2.948 153 H VAL 21 H VAL 21 10.513 -7.598 2.076 154 HA VAL 21 HA VAL 21 12.431 -9.012 3.570 155 HB VAL 21 HB VAL 21 9.465 -9.541 3.271 156 HG11 VAL 21 1HG1 VAL 21 11.555 -10.522 5.222 157 HG12 VAL 21 2HG1 VAL 21 10.443 -11.483 4.248 158 HG13 VAL 21 3HG1 VAL 21 9.833 -10.533 5.604 159 HG21 VAL 21 1HG2 VAL 21 10.246 -7.236 4.066 160 HG22 VAL 21 2HG2 VAL 21 10.926 -8.059 5.469 161 HG23 VAL 21 3HG2 VAL 21 9.189 -8.114 5.172 162 H MET 22 H MET 22 10.309 -10.036 0.917 163 HA MET 22 HA MET 22 11.087 -12.763 0.952 164 HB2 MET 22 2HB MET 22 9.816 -11.018 -1.154 165 HB3 MET 22 1HB MET 22 10.149 -12.731 -1.415 166 HG2 MET 22 2HG MET 22 8.749 -13.346 0.470 167 HG3 MET 22 1HG MET 22 8.518 -11.653 0.901 168 HE1 MET 22 1HE MET 22 5.045 -12.485 -0.142 169 HE2 MET 22 2HE MET 22 6.277 -12.664 1.105 170 HE3 MET 22 3HE MET 22 5.967 -13.989 -0.014 171 H ASN 23 H ASN 23 12.124 -9.994 -1.015 172 HA ASN 23 HA ASN 23 13.837 -11.099 -2.805 173 HB2 ASN 23 2HB ASN 23 14.086 -8.603 -1.145 174 HB3 ASN 23 1HB ASN 23 15.323 -9.031 -2.327 175 HD21 ASN 23 1HD2 ASN 23 12.213 -7.588 -1.944 176 HD22 ASN 23 2HD2 ASN 23 11.839 -7.441 -3.593 177 HN1 NH2 24 HN1 NH2 24 14.874 -10.249 0.554 178 HN2 NH2 24 HN2 NH2 24 16.153 -11.365 0.586 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -14.266 10.880 -2.549 2 H2 GLY 1 2HT GLY 1 -14.238 11.739 -1.082 3 H3 GLY 1 3HT GLY 1 -15.623 10.865 -1.531 4 HA2 GLY 1 2HA GLY 1 -14.273 9.744 0.193 5 HA3 GLY 1 1HA GLY 1 -14.509 8.790 -1.272 6 H VAL 2 H VAL 2 -12.431 11.591 -1.245 7 HA VAL 2 HA VAL 2 -10.234 10.378 -2.405 8 HB VAL 2 HB VAL 2 -8.921 12.294 -1.546 9 HG11 VAL 2 1HG1 VAL 2 -10.375 14.073 -2.522 10 HG12 VAL 2 2HG1 VAL 2 -11.725 12.939 -2.505 11 HG13 VAL 2 3HG1 VAL 2 -10.320 12.621 -3.521 12 HG21 VAL 2 1HG2 VAL 2 -10.136 13.966 -0.126 13 HG22 VAL 2 2HG2 VAL 2 -9.843 12.437 0.706 14 HG23 VAL 2 3HG2 VAL 2 -11.445 12.797 0.062 15 H VAL 3 H VAL 3 -11.130 10.559 0.990 16 HA VAL 3 HA VAL 3 -8.681 9.659 2.078 17 HB VAL 3 HB VAL 3 -11.433 9.207 3.241 18 HG11 VAL 3 1HG1 VAL 3 -8.745 9.714 4.548 19 HG12 VAL 3 2HG1 VAL 3 -9.464 8.117 4.343 20 HG13 VAL 3 3HG1 VAL 3 -10.256 9.317 5.366 21 HG21 VAL 3 1HG2 VAL 3 -11.290 11.541 2.584 22 HG22 VAL 3 2HG2 VAL 3 -9.670 11.675 3.267 23 HG23 VAL 3 3HG2 VAL 3 -11.058 11.444 4.329 24 H ASP 4 H ASP 4 -11.726 7.871 1.517 25 HA ASP 4 HA ASP 4 -10.785 5.334 2.184 26 HB2 ASP 4 2HB ASP 4 -13.159 5.824 1.825 27 HB3 ASP 4 1HB ASP 4 -12.855 6.078 0.102 28 H ILE 5 H ILE 5 -10.379 7.189 -0.755 29 HA ILE 5 HA ILE 5 -9.463 5.016 -2.356 30 HB ILE 5 HB ILE 5 -9.229 8.004 -2.698 31 HG12 ILE 5 2HG1 ILE 5 -10.991 5.998 -4.140 32 HG13 ILE 5 1HG1 ILE 5 -11.526 6.903 -2.716 33 HG21 ILE 5 1HG2 ILE 5 -8.472 5.692 -4.499 34 HG22 ILE 5 2HG2 ILE 5 -7.469 7.054 -4.001 35 HG23 ILE 5 3HG2 ILE 5 -8.800 7.307 -5.129 36 HD11 ILE 5 1HD1 ILE 5 -10.361 8.329 -5.107 37 HD12 ILE 5 2HD1 ILE 5 -11.404 8.973 -3.839 38 HD13 ILE 5 3HD1 ILE 5 -12.068 7.887 -5.059 39 H LEU 6 H LEU 6 -7.937 7.351 -0.256 40 HA LEU 6 HA LEU 6 -5.297 7.151 -1.130 41 HB2 LEU 6 2HB LEU 6 -4.760 8.329 0.773 42 HB3 LEU 6 1HB LEU 6 -6.498 8.625 0.732 43 HG LEU 6 HG LEU 6 -6.654 6.433 2.152 44 HD11 LEU 6 1HD1 LEU 6 -3.822 6.665 1.868 45 HD12 LEU 6 2HD1 LEU 6 -4.725 5.482 2.810 46 HD13 LEU 6 3HD1 LEU 6 -4.210 6.992 3.557 47 HD21 LEU 6 1HD2 LEU 6 -7.377 8.282 3.320 48 HD22 LEU 6 2HD2 LEU 6 -5.919 9.210 2.975 49 HD23 LEU 6 3HD2 LEU 6 -5.901 7.968 4.227 50 H LYS 7 H LYS 7 -7.266 4.883 0.568 51 HA LYS 7 HA LYS 7 -5.050 3.329 1.598 52 HB2 LYS 7 2HB LYS 7 -6.686 2.597 2.960 53 HB3 LYS 7 1HB LYS 7 -7.934 3.309 1.953 54 HG2 LYS 7 2HG LYS 7 -6.616 0.670 1.271 55 HG3 LYS 7 1HG LYS 7 -8.051 0.782 2.282 56 HD2 LYS 7 2HD LYS 7 -8.354 2.379 -0.138 57 HD3 LYS 7 1HD LYS 7 -8.004 0.695 -0.524 58 HE2 LYS 7 2HE LYS 7 -10.137 1.537 1.454 59 HE3 LYS 7 1HE LYS 7 -10.464 1.225 -0.250 60 HZ1 LYS 7 1HZ LYS 7 -10.678 -0.894 0.327 61 HZ2 LYS 7 2HZ LYS 7 -10.051 -0.625 1.883 62 HZ3 LYS 7 3HZ LYS 7 -9.002 -0.930 0.582 63 H GLY 8 H GLY 8 -6.986 3.405 -1.298 64 HA2 GLY 8 2HA GLY 8 -6.533 0.844 -2.320 65 HA3 GLY 8 1HA GLY 8 -6.772 2.288 -3.299 66 H ALA 9 H ALA 9 -4.580 3.799 -2.692 67 HA ALA 9 HA ALA 9 -2.554 2.571 -4.255 68 HB1 ALA 9 1HB ALA 9 -1.227 4.619 -3.632 69 HB2 ALA 9 2HB ALA 9 -2.582 5.106 -2.612 70 HB3 ALA 9 3HB ALA 9 -2.800 4.958 -4.356 71 H ALA 10 H ALA 10 -2.896 3.242 -0.795 72 HA ALA 10 HA ALA 10 -0.328 2.481 0.034 73 HB1 ALA 10 1HB ALA 10 -1.995 3.630 1.474 74 HB2 ALA 10 2HB ALA 10 -1.305 2.202 2.246 75 HB3 ALA 10 3HB ALA 10 -2.925 2.134 1.550 76 H LYS 11 H LYS 11 -3.201 0.556 -0.660 77 HA LYS 11 HA LYS 11 -2.394 -1.876 0.448 78 HB2 LYS 11 2HB LYS 11 -4.304 -0.991 -1.646 79 HB3 LYS 11 1HB LYS 11 -3.850 -2.689 -1.661 80 HG2 LYS 11 2HG LYS 11 -4.518 -2.928 0.681 81 HG3 LYS 11 1HG LYS 11 -4.880 -1.205 0.770 82 HD2 LYS 11 2HD LYS 11 -6.997 -2.150 0.391 83 HD3 LYS 11 1HD LYS 11 -6.492 -1.675 -1.228 84 HE2 LYS 11 2HE LYS 11 -5.793 -3.938 -1.741 85 HE3 LYS 11 1HE LYS 11 -6.072 -4.448 -0.077 86 HZ1 LYS 11 1HZ LYS 11 -7.891 -4.422 -2.176 87 HZ2 LYS 11 2HZ LYS 11 -8.396 -3.222 -1.084 88 HZ3 LYS 11 3HZ LYS 11 -8.184 -4.823 -0.555 89 H ASP 12 H ASP 12 -1.568 -0.319 -2.560 90 HA ASP 12 HA ASP 12 -0.324 -2.580 -3.783 91 HB2 ASP 12 2HB ASP 12 -1.123 -0.618 -5.065 92 HB3 ASP 12 1HB ASP 12 0.128 0.366 -4.308 93 H ILE 13 H ILE 13 1.022 0.332 -2.216 94 HA ILE 13 HA ILE 13 3.713 -0.477 -2.303 95 HB ILE 13 HB ILE 13 2.375 1.302 -0.251 96 HG12 ILE 13 2HG1 ILE 13 3.725 2.045 -2.866 97 HG13 ILE 13 1HG1 ILE 13 1.970 1.938 -2.657 98 HG21 ILE 13 1HG2 ILE 13 5.246 1.035 -1.192 99 HG22 ILE 13 2HG2 ILE 13 4.627 0.627 0.409 100 HG23 ILE 13 3HG2 ILE 13 4.657 2.309 -0.123 101 HD11 ILE 13 1HD1 ILE 13 2.644 4.256 -2.362 102 HD12 ILE 13 2HD1 ILE 13 3.862 3.790 -1.176 103 HD13 ILE 13 3HD1 ILE 13 2.148 3.611 -0.796 104 H ALA 14 H ALA 14 1.134 -1.161 -0.015 105 HA ALA 14 HA ALA 14 2.666 -2.168 2.110 106 HB1 ALA 14 1HB ALA 14 0.625 -3.332 2.796 107 HB2 ALA 14 2HB ALA 14 -0.081 -3.060 1.203 108 HB3 ALA 14 3HB ALA 14 0.248 -1.693 2.268 109 H GLY 15 H GLY 15 1.477 -3.714 -0.839 110 HA2 GLY 15 2HA GLY 15 2.313 -6.355 -0.112 111 HA3 GLY 15 1HA GLY 15 1.843 -5.818 -1.721 112 H HIS 16 H HIS 16 3.743 -3.716 -1.994 113 HA HIS 16 HA HIS 16 6.004 -5.223 -2.874 114 HB2 HIS 16 2HB HIS 16 4.939 -2.960 -3.748 115 HB3 HIS 16 1HB HIS 16 6.110 -2.269 -2.636 116 HD2 HIS 16 2HD HIS 16 8.072 -1.490 -4.472 117 HE1 HIS 16 1HE HIS 16 8.583 -5.252 -6.320 118 HE2 HIS 16 2HE HIS 16 9.475 -2.878 -6.183 119 H LEU 17 H LEU 17 5.486 -2.826 -0.301 120 HA LEU 17 HA LEU 17 8.060 -2.641 0.691 121 HB2 LEU 17 2HB LEU 17 6.322 -1.204 1.520 122 HB3 LEU 17 1HB LEU 17 5.442 -2.583 2.155 123 HG LEU 17 HG LEU 17 7.195 -3.038 3.776 124 HD11 LEU 17 1HD1 LEU 17 9.217 -2.512 2.687 125 HD12 LEU 17 2HD1 LEU 17 9.074 -1.232 3.892 126 HD13 LEU 17 3HD1 LEU 17 8.652 -0.912 2.209 127 HD21 LEU 17 1HD2 LEU 17 5.565 -1.409 4.503 128 HD22 LEU 17 2HD2 LEU 17 6.388 -0.121 3.622 129 HD23 LEU 17 3HD2 LEU 17 7.150 -0.849 5.036 130 H ALA 18 H ALA 18 5.564 -5.039 1.426 131 HA ALA 18 HA ALA 18 7.000 -6.454 3.401 132 HB1 ALA 18 1HB ALA 18 5.016 -7.688 1.489 133 HB2 ALA 18 2HB ALA 18 4.520 -6.652 2.828 134 HB3 ALA 18 3HB ALA 18 5.368 -8.164 3.151 135 H SER 19 H SER 19 7.056 -6.535 -0.097 136 HA SER 19 HA SER 19 8.364 -8.993 -0.478 137 HB2 SER 19 2HB SER 19 8.301 -8.397 -2.657 138 HB3 SER 19 1HB SER 19 7.432 -6.965 -2.114 139 HG SER 19 HG SER 19 10.097 -7.288 -2.872 140 H LYS 20 H LYS 20 9.718 -5.691 -0.205 141 HA LYS 20 HA LYS 20 12.404 -6.282 -0.457 142 HB2 LYS 20 2HB LYS 20 11.620 -4.347 1.662 143 HB3 LYS 20 1HB LYS 20 12.773 -4.158 0.341 144 HG2 LYS 20 2HG LYS 20 9.782 -4.320 -0.108 145 HG3 LYS 20 1HG LYS 20 10.620 -2.808 0.150 146 HD2 LYS 20 2HD LYS 20 11.906 -3.027 -1.811 147 HD3 LYS 20 1HD LYS 20 11.568 -4.753 -1.918 148 HE2 LYS 20 2HE LYS 20 9.361 -4.399 -2.677 149 HE3 LYS 20 1HE LYS 20 9.342 -2.730 -2.108 150 HZ1 LYS 20 1HZ LYS 20 10.076 -3.688 -4.630 151 HZ2 LYS 20 2HZ LYS 20 11.462 -3.022 -3.907 152 HZ3 LYS 20 3HZ LYS 20 10.056 -2.083 -4.082 153 H VAL 21 H VAL 21 10.338 -6.567 2.399 154 HA VAL 21 HA VAL 21 12.367 -7.209 4.250 155 HB VAL 21 HB VAL 21 9.464 -8.062 4.269 156 HG11 VAL 21 1HG1 VAL 21 11.626 -7.932 6.381 157 HG12 VAL 21 2HG1 VAL 21 10.665 -9.331 5.902 158 HG13 VAL 21 3HG1 VAL 21 9.909 -8.003 6.783 159 HG21 VAL 21 1HG2 VAL 21 9.188 -6.035 5.707 160 HG22 VAL 21 2HG2 VAL 21 9.670 -5.635 4.058 161 HG23 VAL 21 3HG2 VAL 21 10.860 -5.597 5.359 162 H MET 22 H MET 22 10.189 -9.295 2.353 163 HA MET 22 HA MET 22 11.279 -11.739 3.275 164 HB2 MET 22 2HB MET 22 9.620 -10.972 0.884 165 HB3 MET 22 1HB MET 22 10.192 -12.625 1.110 166 HG2 MET 22 2HG MET 22 9.118 -12.703 3.325 167 HG3 MET 22 1HG MET 22 8.552 -11.046 3.115 168 HE1 MET 22 1HE MET 22 7.385 -10.222 1.270 169 HE2 MET 22 2HE MET 22 5.971 -10.993 0.557 170 HE3 MET 22 3HE MET 22 7.545 -11.170 -0.215 171 H ASN 23 H ASN 23 11.980 -9.700 0.467 172 HA ASN 23 HA ASN 23 13.608 -11.268 -1.057 173 HB2 ASN 23 2HB ASN 23 13.797 -8.364 -0.303 174 HB3 ASN 23 1HB ASN 23 14.997 -9.092 -1.370 175 HD21 ASN 23 1HD2 ASN 23 11.789 -7.799 -1.228 176 HD22 ASN 23 2HD2 ASN 23 11.338 -8.187 -2.817 177 HN1 NH2 24 HN1 NH2 24 14.269 -10.291 2.226 178 HN2 NH2 24 HN2 NH2 24 15.852 -10.898 2.294 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -14.766 8.828 -4.661 2 H2 GLY 1 2HT GLY 1 -15.842 8.142 -3.540 3 H3 GLY 1 3HT GLY 1 -14.272 7.515 -3.708 4 HA2 GLY 1 2HA GLY 1 -14.619 10.336 -2.958 5 HA3 GLY 1 1HA GLY 1 -14.820 9.082 -1.733 6 H VAL 2 H VAL 2 -12.605 11.083 -3.192 7 HA VAL 2 HA VAL 2 -10.286 9.624 -3.561 8 HB VAL 2 HB VAL 2 -9.068 11.676 -3.018 9 HG11 VAL 2 1HG1 VAL 2 -10.179 13.159 -4.608 10 HG12 VAL 2 2HG1 VAL 2 -11.696 12.282 -4.406 11 HG13 VAL 2 3HG1 VAL 2 -10.317 11.493 -5.172 12 HG21 VAL 2 1HG2 VAL 2 -10.160 12.413 -1.019 13 HG22 VAL 2 2HG2 VAL 2 -11.732 12.473 -1.819 14 HG23 VAL 2 3HG2 VAL 2 -10.486 13.652 -2.231 15 H VAL 3 H VAL 3 -11.790 10.662 -0.552 16 HA VAL 3 HA VAL 3 -9.677 10.125 1.210 17 HB VAL 3 HB VAL 3 -11.610 11.324 1.993 18 HG11 VAL 3 1HG1 VAL 3 -13.215 10.130 0.443 19 HG12 VAL 3 2HG1 VAL 3 -13.822 10.375 2.080 20 HG13 VAL 3 3HG1 VAL 3 -13.222 8.791 1.590 21 HG21 VAL 3 1HG2 VAL 3 -11.717 8.615 3.341 22 HG22 VAL 3 2HG2 VAL 3 -12.005 10.195 4.068 23 HG23 VAL 3 3HG2 VAL 3 -10.377 9.737 3.572 24 H ASP 4 H ASP 4 -12.288 8.012 0.047 25 HA ASP 4 HA ASP 4 -11.448 5.725 1.527 26 HB2 ASP 4 2HB ASP 4 -13.752 6.129 0.552 27 HB3 ASP 4 1HB ASP 4 -13.064 5.718 -1.025 28 H ILE 5 H ILE 5 -10.593 7.049 -1.593 29 HA ILE 5 HA ILE 5 -9.320 4.676 -2.549 30 HB ILE 5 HB ILE 5 -9.174 7.535 -3.498 31 HG12 ILE 5 2HG1 ILE 5 -10.660 5.157 -4.660 32 HG13 ILE 5 1HG1 ILE 5 -11.412 6.337 -3.576 33 HG21 ILE 5 1HG2 ILE 5 -8.103 4.943 -4.634 34 HG22 ILE 5 2HG2 ILE 5 -7.218 6.435 -4.316 35 HG23 ILE 5 3HG2 ILE 5 -8.383 6.366 -5.637 36 HD11 ILE 5 1HD1 ILE 5 -11.718 6.783 -6.068 37 HD12 ILE 5 2HD1 ILE 5 -9.991 7.137 -6.127 38 HD13 ILE 5 3HD1 ILE 5 -11.061 8.123 -5.130 39 H LEU 6 H LEU 6 -8.293 7.519 -0.797 40 HA LEU 6 HA LEU 6 -5.549 7.394 -1.243 41 HB2 LEU 6 2HB LEU 6 -5.366 8.983 0.407 42 HB3 LEU 6 1HB LEU 6 -7.090 9.112 0.059 43 HG LEU 6 HG LEU 6 -7.367 7.304 1.910 44 HD11 LEU 6 1HD1 LEU 6 -5.537 6.651 3.051 45 HD12 LEU 6 2HD1 LEU 6 -5.133 8.321 3.435 46 HD13 LEU 6 3HD1 LEU 6 -4.536 7.592 1.948 47 HD21 LEU 6 1HD2 LEU 6 -6.785 9.409 3.612 48 HD22 LEU 6 2HD2 LEU 6 -8.290 9.209 2.722 49 HD23 LEU 6 3HD2 LEU 6 -7.008 10.223 2.063 50 H LYS 7 H LYS 7 -7.539 5.577 1.072 51 HA LYS 7 HA LYS 7 -5.346 4.441 2.464 52 HB2 LYS 7 2HB LYS 7 -6.987 3.128 3.550 53 HB3 LYS 7 1HB LYS 7 -7.717 4.695 3.283 54 HG2 LYS 7 2HG LYS 7 -8.367 3.394 0.969 55 HG3 LYS 7 1HG LYS 7 -8.414 2.066 2.124 56 HD2 LYS 7 2HD LYS 7 -9.822 4.709 2.555 57 HD3 LYS 7 1HD LYS 7 -10.608 3.292 1.859 58 HE2 LYS 7 2HE LYS 7 -9.214 3.272 4.548 59 HE3 LYS 7 1HE LYS 7 -10.944 3.555 4.353 60 HZ1 LYS 7 1HZ LYS 7 -10.573 1.348 2.876 61 HZ2 LYS 7 2HZ LYS 7 -11.071 1.340 4.500 62 HZ3 LYS 7 3HZ LYS 7 -9.435 1.102 4.110 63 H GLY 8 H GLY 8 -7.096 3.593 -0.437 64 HA2 GLY 8 2HA GLY 8 -6.290 0.874 -0.605 65 HA3 GLY 8 1HA GLY 8 -6.853 1.867 -1.946 66 H ALA 9 H ALA 9 -4.843 3.905 -1.697 67 HA ALA 9 HA ALA 9 -2.804 2.775 -3.296 68 HB1 ALA 9 1HB ALA 9 -2.548 5.369 -1.785 69 HB2 ALA 9 2HB ALA 9 -3.587 5.217 -3.202 70 HB3 ALA 9 3HB ALA 9 -1.852 4.937 -3.346 71 H ALA 10 H ALA 10 -3.040 3.508 0.140 72 HA ALA 10 HA ALA 10 -0.338 3.215 0.840 73 HB1 ALA 10 1HB ALA 10 -1.934 4.140 2.408 74 HB2 ALA 10 2HB ALA 10 -1.218 2.694 3.117 75 HB3 ALA 10 3HB ALA 10 -2.843 2.630 2.432 76 H LYS 11 H LYS 11 -2.933 0.812 0.537 77 HA LYS 11 HA LYS 11 -1.664 -1.408 1.590 78 HB2 LYS 11 2HB LYS 11 -3.811 -0.913 -0.394 79 HB3 LYS 11 1HB LYS 11 -3.078 -2.510 -0.426 80 HG2 LYS 11 2HG LYS 11 -3.636 -2.920 1.864 81 HG3 LYS 11 1HG LYS 11 -4.062 -1.228 2.126 82 HD2 LYS 11 2HD LYS 11 -6.067 -2.696 1.859 83 HD3 LYS 11 1HD LYS 11 -5.977 -1.431 0.633 84 HE2 LYS 11 2HE LYS 11 -6.507 -3.850 -0.149 85 HE3 LYS 11 1HE LYS 11 -5.296 -2.936 -1.047 86 HZ1 LYS 11 1HZ LYS 11 -4.865 -5.371 -0.101 87 HZ2 LYS 11 2HZ LYS 11 -4.334 -4.463 1.233 88 HZ3 LYS 11 3HZ LYS 11 -3.628 -4.226 -0.294 89 H ASP 12 H ASP 12 -1.248 0.160 -1.496 90 HA ASP 12 HA ASP 12 0.169 -1.857 -2.856 91 HB2 ASP 12 2HB ASP 12 -0.754 0.256 -3.868 92 HB3 ASP 12 1HB ASP 12 0.595 1.123 -3.137 93 H ILE 13 H ILE 13 1.400 0.934 -1.000 94 HA ILE 13 HA ILE 13 4.126 0.210 -1.192 95 HB ILE 13 HB ILE 13 2.831 1.816 1.018 96 HG12 ILE 13 2HG1 ILE 13 3.845 2.738 -1.693 97 HG13 ILE 13 1HG1 ILE 13 2.139 2.619 -1.236 98 HG21 ILE 13 1HG2 ILE 13 5.602 1.909 -0.215 99 HG22 ILE 13 2HG2 ILE 13 5.211 1.149 1.328 100 HG23 ILE 13 3HG2 ILE 13 5.027 2.891 1.132 101 HD11 ILE 13 1HD1 ILE 13 4.235 4.388 0.064 102 HD12 ILE 13 2HD1 ILE 13 2.579 4.209 0.641 103 HD13 ILE 13 3HD1 ILE 13 2.887 4.923 -0.941 104 H ALA 14 H ALA 14 1.700 -0.329 1.352 105 HA ALA 14 HA ALA 14 3.361 -1.620 3.204 106 HB1 ALA 14 1HB ALA 14 1.135 -0.876 3.819 107 HB2 ALA 14 2HB ALA 14 1.248 -2.617 4.075 108 HB3 ALA 14 3HB ALA 14 0.407 -1.987 2.659 109 H GLY 15 H GLY 15 1.627 -2.851 0.389 110 HA2 GLY 15 2HA GLY 15 2.152 -5.616 0.934 111 HA3 GLY 15 1HA GLY 15 1.580 -4.945 -0.590 112 H HIS 16 H HIS 16 3.688 -3.122 -1.065 113 HA HIS 16 HA HIS 16 5.599 -4.860 -2.259 114 HB2 HIS 16 2HB HIS 16 4.808 -2.442 -2.926 115 HB3 HIS 16 1HB HIS 16 6.134 -1.961 -1.876 116 HD2 HIS 16 2HD HIS 16 8.320 -1.559 -3.509 117 HE1 HIS 16 1HE HIS 16 7.744 -4.840 -6.102 118 HE2 HIS 16 2HE HIS 16 9.273 -2.891 -5.543 119 H LEU 17 H LEU 17 5.418 -3.152 0.754 120 HA LEU 17 HA LEU 17 8.096 -2.946 1.462 121 HB2 LEU 17 2HB LEU 17 6.416 -1.911 2.816 122 HB3 LEU 17 1HB LEU 17 5.668 -3.466 3.145 123 HG LEU 17 HG LEU 17 7.629 -4.199 4.402 124 HD11 LEU 17 1HD1 LEU 17 9.445 -3.166 3.269 125 HD12 LEU 17 2HD1 LEU 17 9.408 -2.390 4.850 126 HD13 LEU 17 3HD1 LEU 17 8.744 -1.558 3.444 127 HD21 LEU 17 1HD2 LEU 17 5.834 -2.749 5.478 128 HD22 LEU 17 2HD2 LEU 17 6.937 -1.387 5.285 129 HD23 LEU 17 3HD2 LEU 17 7.393 -2.754 6.302 130 H ALA 18 H ALA 18 5.859 -5.654 1.964 131 HA ALA 18 HA ALA 18 7.830 -7.330 3.179 132 HB1 ALA 18 1HB ALA 18 6.126 -9.068 3.062 133 HB2 ALA 18 2HB ALA 18 5.165 -8.078 1.962 134 HB3 ALA 18 3HB ALA 18 5.410 -7.560 3.631 135 H SER 19 H SER 19 6.779 -6.726 -0.081 136 HA SER 19 HA SER 19 7.506 -9.068 -1.373 137 HB2 SER 19 2HB SER 19 7.544 -7.817 -3.381 138 HB3 SER 19 1HB SER 19 6.364 -7.020 -2.347 139 HG SER 19 HG SER 19 9.071 -6.282 -2.786 140 H LYS 20 H LYS 20 9.614 -6.173 -1.002 141 HA LYS 20 HA LYS 20 11.873 -7.694 -1.960 142 HB2 LYS 20 2HB LYS 20 12.972 -5.374 -0.981 143 HB3 LYS 20 1HB LYS 20 12.380 -5.609 -2.623 144 HG2 LYS 20 2HG LYS 20 11.421 -3.572 -1.673 145 HG3 LYS 20 1HG LYS 20 10.153 -4.768 -1.934 146 HD2 LYS 20 2HD LYS 20 9.660 -4.146 0.241 147 HD3 LYS 20 1HD LYS 20 10.792 -5.461 0.549 148 HE2 LYS 20 2HE LYS 20 12.631 -3.657 0.509 149 HE3 LYS 20 1HE LYS 20 11.317 -2.489 0.631 150 HZ1 LYS 20 1HZ LYS 20 11.574 -2.827 2.816 151 HZ2 LYS 20 2HZ LYS 20 12.352 -4.325 2.614 152 HZ3 LYS 20 3HZ LYS 20 10.657 -4.229 2.546 153 H VAL 21 H VAL 21 10.403 -7.644 0.991 154 HA VAL 21 HA VAL 21 12.712 -7.556 2.677 155 HB VAL 21 HB VAL 21 9.849 -8.378 3.085 156 HG11 VAL 21 1HG1 VAL 21 12.209 -8.778 4.925 157 HG12 VAL 21 2HG1 VAL 21 10.948 -9.933 4.495 158 HG13 VAL 21 3HG1 VAL 21 10.576 -8.576 5.557 159 HG21 VAL 21 1HG2 VAL 21 9.669 -6.370 4.243 160 HG22 VAL 21 2HG2 VAL 21 10.910 -5.933 3.071 161 HG23 VAL 21 3HG2 VAL 21 11.368 -6.370 4.716 162 H MET 22 H MET 22 10.566 -10.207 1.625 163 HA MET 22 HA MET 22 12.127 -12.287 2.713 164 HB2 MET 22 2HB MET 22 10.097 -12.224 0.481 165 HB3 MET 22 1HB MET 22 10.870 -13.714 1.021 166 HG2 MET 22 2HG MET 22 10.015 -13.406 3.273 167 HG3 MET 22 1HG MET 22 9.366 -11.823 2.849 168 HE1 MET 22 1HE MET 22 7.337 -13.437 4.193 169 HE2 MET 22 2HE MET 22 8.300 -14.886 3.915 170 HE3 MET 22 3HE MET 22 6.622 -14.837 3.381 171 H ASN 23 H ASN 23 12.143 -10.707 -0.446 172 HA ASN 23 HA ASN 23 13.737 -12.351 -1.948 173 HB2 ASN 23 2HB ASN 23 13.538 -9.363 -1.751 174 HB3 ASN 23 1HB ASN 23 14.736 -10.090 -2.821 175 HD21 ASN 23 1HD2 ASN 23 11.357 -9.355 -2.459 176 HD22 ASN 23 2HD2 ASN 23 10.835 -10.084 -3.900 177 HN1 NH2 24 HN1 NH2 24 14.676 -10.822 1.008 178 HN2 NH2 24 HN2 NH2 24 16.338 -11.145 0.891 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -14.699 5.358 -3.529 2 H2 GLY 1 2HT GLY 1 -15.743 6.248 -2.527 3 H3 GLY 1 3HT GLY 1 -14.217 5.768 -1.956 4 HA2 GLY 1 2HA GLY 1 -13.908 7.240 -4.346 5 HA3 GLY 1 1HA GLY 1 -14.875 8.157 -3.190 6 H VAL 2 H VAL 2 -13.935 8.943 -1.335 7 HA VAL 2 HA VAL 2 -11.205 9.491 -1.296 8 HB VAL 2 HB VAL 2 -13.108 9.361 1.055 9 HG11 VAL 2 1HG1 VAL 2 -10.397 10.646 0.649 10 HG12 VAL 2 2HG1 VAL 2 -10.854 9.463 1.874 11 HG13 VAL 2 3HG1 VAL 2 -11.490 11.105 1.955 12 HG21 VAL 2 1HG2 VAL 2 -14.024 10.867 -0.552 13 HG22 VAL 2 2HG2 VAL 2 -12.433 11.501 -0.974 14 HG23 VAL 2 3HG2 VAL 2 -13.149 11.886 0.591 15 H VAL 3 H VAL 3 -13.000 6.809 0.113 16 HA VAL 3 HA VAL 3 -10.971 5.757 1.747 17 HB VAL 3 HB VAL 3 -13.099 4.191 0.276 18 HG11 VAL 3 1HG1 VAL 3 -11.513 2.726 1.322 19 HG12 VAL 3 2HG1 VAL 3 -12.912 2.792 2.392 20 HG13 VAL 3 3HG1 VAL 3 -11.463 3.719 2.779 21 HG21 VAL 3 1HG2 VAL 3 -13.187 5.849 2.806 22 HG22 VAL 3 2HG2 VAL 3 -14.352 4.565 2.485 23 HG23 VAL 3 3HG2 VAL 3 -14.250 5.954 1.402 24 H ASP 4 H ASP 4 -11.652 5.373 -1.687 25 HA ASP 4 HA ASP 4 -9.800 3.258 -2.144 26 HB2 ASP 4 2HB ASP 4 -11.574 3.652 -3.732 27 HB3 ASP 4 1HB ASP 4 -11.014 5.307 -4.010 28 H ILE 5 H ILE 5 -9.530 6.750 -2.039 29 HA ILE 5 HA ILE 5 -6.937 6.834 -3.239 30 HB ILE 5 HB ILE 5 -8.465 8.909 -1.669 31 HG12 ILE 5 2HG1 ILE 5 -7.964 8.672 -4.653 32 HG13 ILE 5 1HG1 ILE 5 -9.443 8.110 -3.862 33 HG21 ILE 5 1HG2 ILE 5 -6.135 9.471 -1.548 34 HG22 ILE 5 2HG2 ILE 5 -6.821 10.467 -2.832 35 HG23 ILE 5 3HG2 ILE 5 -5.878 9.033 -3.237 36 HD11 ILE 5 1HD1 ILE 5 -8.394 10.949 -3.684 37 HD12 ILE 5 2HD1 ILE 5 -9.938 10.353 -3.077 38 HD13 ILE 5 3HD1 ILE 5 -9.642 10.425 -4.813 39 H LEU 6 H LEU 6 -8.182 6.995 0.055 40 HA LEU 6 HA LEU 6 -5.676 7.463 1.280 41 HB2 LEU 6 2HB LEU 6 -6.837 7.460 3.254 42 HB3 LEU 6 1HB LEU 6 -8.186 7.683 2.143 43 HG LEU 6 HG LEU 6 -8.374 5.110 2.131 44 HD11 LEU 6 1HD1 LEU 6 -6.844 3.951 3.313 45 HD12 LEU 6 2HD1 LEU 6 -7.439 4.705 4.789 46 HD13 LEU 6 3HD1 LEU 6 -6.110 5.442 3.897 47 HD21 LEU 6 1HD2 LEU 6 -9.890 5.178 3.950 48 HD22 LEU 6 2HD2 LEU 6 -9.824 6.849 3.393 49 HD23 LEU 6 3HD2 LEU 6 -8.920 6.361 4.826 50 H LYS 7 H LYS 7 -7.480 4.511 0.539 51 HA LYS 7 HA LYS 7 -5.495 2.828 1.825 52 HB2 LYS 7 2HB LYS 7 -7.256 1.427 1.882 53 HB3 LYS 7 1HB LYS 7 -8.170 2.420 0.761 54 HG2 LYS 7 2HG LYS 7 -6.013 0.509 -0.163 55 HG3 LYS 7 1HG LYS 7 -7.694 0.024 0.024 56 HD2 LYS 7 2HD LYS 7 -7.497 2.524 -1.458 57 HD3 LYS 7 1HD LYS 7 -6.560 1.250 -2.237 58 HE2 LYS 7 2HE LYS 7 -8.901 1.277 -3.043 59 HE3 LYS 7 1HE LYS 7 -8.521 -0.231 -2.211 60 HZ1 LYS 7 1HZ LYS 7 -10.482 1.696 -1.573 61 HZ2 LYS 7 2HZ LYS 7 -9.393 1.549 -0.277 62 HZ3 LYS 7 3HZ LYS 7 -10.210 0.180 -0.863 63 H GLY 8 H GLY 8 -6.134 4.079 -1.362 64 HA2 GLY 8 2HA GLY 8 -4.586 2.314 -2.907 65 HA3 GLY 8 1HA GLY 8 -4.920 3.995 -3.315 66 H ALA 9 H ALA 9 -3.674 5.412 -1.386 67 HA ALA 9 HA ALA 9 -0.968 5.352 -2.170 68 HB1 ALA 9 1HB ALA 9 -2.227 7.352 -1.288 69 HB2 ALA 9 2HB ALA 9 -0.631 7.115 -0.577 70 HB3 ALA 9 3HB ALA 9 -2.075 6.653 0.323 71 H ALA 10 H ALA 10 -2.612 4.188 0.748 72 HA ALA 10 HA ALA 10 -0.318 3.438 2.193 73 HB1 ALA 10 1HB ALA 10 -1.823 2.069 3.531 74 HB2 ALA 10 2HB ALA 10 -3.062 2.164 2.279 75 HB3 ALA 10 3HB ALA 10 -2.594 3.614 3.168 76 H LYS 11 H LYS 11 -2.276 1.689 -0.185 77 HA LYS 11 HA LYS 11 -1.207 -0.854 0.088 78 HB2 LYS 11 2HB LYS 11 -2.533 0.691 -2.068 79 HB3 LYS 11 1HB LYS 11 -1.637 -0.734 -2.572 80 HG2 LYS 11 2HG LYS 11 -2.915 -2.153 -1.096 81 HG3 LYS 11 1HG LYS 11 -3.681 -0.754 -0.344 82 HD2 LYS 11 2HD LYS 11 -5.223 -1.762 -1.953 83 HD3 LYS 11 1HD LYS 11 -4.715 -0.176 -2.535 84 HE2 LYS 11 2HE LYS 11 -3.297 -1.090 -4.170 85 HE3 LYS 11 1HE LYS 11 -3.211 -2.654 -3.358 86 HZ1 LYS 11 1HZ LYS 11 -4.739 -2.287 -5.436 87 HZ2 LYS 11 2HZ LYS 11 -5.826 -1.703 -4.268 88 HZ3 LYS 11 3HZ LYS 11 -5.228 -3.290 -4.158 89 H ASP 12 H ASP 12 0.095 1.987 -1.455 90 HA ASP 12 HA ASP 12 2.157 0.790 -2.954 91 HB2 ASP 12 2HB ASP 12 1.420 3.171 -3.155 92 HB3 ASP 12 1HB ASP 12 2.216 3.504 -1.618 93 H ILE 13 H ILE 13 2.269 2.272 0.294 94 HA ILE 13 HA ILE 13 4.944 1.516 0.829 95 HB ILE 13 HB ILE 13 2.784 1.999 2.884 96 HG12 ILE 13 2HG1 ILE 13 4.508 4.016 1.404 97 HG13 ILE 13 1HG1 ILE 13 2.767 3.795 1.173 98 HG21 ILE 13 1HG2 ILE 13 4.618 2.705 4.279 99 HG22 ILE 13 2HG2 ILE 13 5.747 2.627 2.927 100 HG23 ILE 13 3HG2 ILE 13 5.062 1.145 3.589 101 HD11 ILE 13 1HD1 ILE 13 4.171 4.693 3.705 102 HD12 ILE 13 2HD1 ILE 13 2.457 4.286 3.623 103 HD13 ILE 13 3HD1 ILE 13 3.085 5.649 2.697 104 H ALA 14 H ALA 14 1.869 0.150 2.025 105 HA ALA 14 HA ALA 14 2.977 -2.041 3.376 106 HB1 ALA 14 1HB ALA 14 0.671 -3.070 2.999 107 HB2 ALA 14 2HB ALA 14 0.273 -1.598 2.112 108 HB3 ALA 14 3HB ALA 14 0.706 -1.509 3.819 109 H GLY 15 H GLY 15 1.844 -1.720 0.026 110 HA2 GLY 15 2HA GLY 15 2.159 -4.393 -0.768 111 HA3 GLY 15 1HA GLY 15 2.233 -3.003 -1.845 112 H HIS 16 H HIS 16 4.471 -1.715 -0.645 113 HA HIS 16 HA HIS 16 6.589 -3.142 -1.925 114 HB2 HIS 16 2HB HIS 16 6.216 -0.557 -1.519 115 HB3 HIS 16 1HB HIS 16 7.123 -0.901 -0.053 116 HD2 HIS 16 2HD HIS 16 9.638 0.054 -0.807 117 HE1 HIS 16 1HE HIS 16 10.002 -2.173 -4.375 118 HE2 HIS 16 2HE HIS 16 11.213 -0.612 -2.781 119 H LEU 17 H LEU 17 5.763 -2.424 1.450 120 HA LEU 17 HA LEU 17 7.973 -3.494 2.723 121 HB2 LEU 17 2HB LEU 17 6.292 -2.318 3.976 122 HB3 LEU 17 1HB LEU 17 5.088 -3.523 3.551 123 HG LEU 17 HG LEU 17 6.252 -5.231 4.832 124 HD11 LEU 17 1HD1 LEU 17 8.358 -3.082 5.037 125 HD12 LEU 17 2HD1 LEU 17 8.546 -4.770 4.563 126 HD13 LEU 17 3HD1 LEU 17 8.257 -4.356 6.252 127 HD21 LEU 17 1HD2 LEU 17 6.069 -4.236 7.094 128 HD22 LEU 17 2HD2 LEU 17 4.714 -3.759 6.071 129 HD23 LEU 17 3HD2 LEU 17 6.031 -2.626 6.376 130 H ALA 18 H ALA 18 5.058 -5.137 1.569 131 HA ALA 18 HA ALA 18 5.701 -7.712 2.524 132 HB1 ALA 18 1HB ALA 18 4.135 -7.112 0.011 133 HB2 ALA 18 2HB ALA 18 3.459 -6.923 1.629 134 HB3 ALA 18 3HB ALA 18 3.982 -8.513 1.072 135 H SER 19 H SER 19 6.654 -5.924 -0.335 136 HA SER 19 HA SER 19 7.659 -8.023 -1.898 137 HB2 SER 19 2HB SER 19 8.309 -6.352 -3.277 138 HB3 SER 19 1HB SER 19 7.522 -5.273 -2.130 139 HG SER 19 HG SER 19 9.599 -5.284 -1.000 140 H LYS 20 H LYS 20 9.344 -5.943 0.475 141 HA LYS 20 HA LYS 20 11.878 -7.033 0.307 142 HB2 LYS 20 2HB LYS 20 10.820 -6.410 3.018 143 HB3 LYS 20 1HB LYS 20 12.317 -5.884 2.251 144 HG2 LYS 20 2HG LYS 20 9.593 -4.913 1.350 145 HG3 LYS 20 1HG LYS 20 10.529 -4.092 2.576 146 HD2 LYS 20 2HD LYS 20 12.287 -3.586 1.091 147 HD3 LYS 20 1HD LYS 20 11.740 -4.793 -0.070 148 HE2 LYS 20 2HE LYS 20 9.896 -3.465 -0.753 149 HE3 LYS 20 1HE LYS 20 10.029 -2.415 0.657 150 HZ1 LYS 20 1HZ LYS 20 12.474 -2.299 -0.612 151 HZ2 LYS 20 2HZ LYS 20 11.282 -1.089 -0.572 152 HZ3 LYS 20 3HZ LYS 20 11.324 -2.202 -1.855 153 H VAL 21 H VAL 21 9.063 -8.222 2.087 154 HA VAL 21 HA VAL 21 10.356 -10.290 3.498 155 HB VAL 21 HB VAL 21 7.497 -10.279 2.513 156 HG11 VAL 21 1HG1 VAL 21 7.131 -11.637 4.551 157 HG12 VAL 21 2HG1 VAL 21 8.860 -11.576 4.893 158 HG13 VAL 21 3HG1 VAL 21 8.274 -12.414 3.457 159 HG21 VAL 21 1HG2 VAL 21 8.004 -8.167 3.657 160 HG22 VAL 21 2HG2 VAL 21 8.734 -9.049 4.998 161 HG23 VAL 21 3HG2 VAL 21 7.002 -9.182 4.693 162 H MET 22 H MET 22 8.641 -10.303 0.379 163 HA MET 22 HA MET 22 9.061 -13.050 -0.163 164 HB2 MET 22 2HB MET 22 8.544 -10.739 -2.044 165 HB3 MET 22 1HB MET 22 8.473 -12.442 -2.498 166 HG2 MET 22 2HG MET 22 6.614 -12.855 -1.077 167 HG3 MET 22 1HG MET 22 6.840 -11.336 -0.209 168 HE1 MET 22 1HE MET 22 4.524 -10.977 -0.312 169 HE2 MET 22 2HE MET 22 3.852 -12.099 -1.493 170 HE3 MET 22 3HE MET 22 3.580 -10.369 -1.681 171 H ASN 23 H ASN 23 10.823 -10.122 -1.094 172 HA ASN 23 HA ASN 23 12.667 -11.024 -2.874 173 HB2 ASN 23 2HB ASN 23 12.978 -9.153 -0.536 174 HB3 ASN 23 1HB ASN 23 14.308 -9.460 -1.652 175 HD21 ASN 23 1HD2 ASN 23 12.799 -6.906 -1.297 176 HD22 ASN 23 2HD2 ASN 23 12.126 -6.556 -2.816 177 HN1 NH2 24 HN1 NH2 24 12.517 -11.946 0.532 178 HN2 NH2 24 HN2 NH2 24 13.869 -12.972 0.494 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -15.182 5.675 -2.288 2 H2 GLY 1 2HT GLY 1 -13.501 5.815 -2.082 3 H3 GLY 1 3HT GLY 1 -14.141 4.575 -3.051 4 HA2 GLY 1 2HA GLY 1 -14.438 5.894 -4.829 5 HA3 GLY 1 1HA GLY 1 -14.883 7.272 -3.823 6 H VAL 2 H VAL 2 -13.491 8.873 -4.286 7 HA VAL 2 HA VAL 2 -10.845 8.517 -5.211 8 HB VAL 2 HB VAL 2 -12.147 10.922 -3.911 9 HG11 VAL 2 1HG1 VAL 2 -9.525 10.545 -5.371 10 HG12 VAL 2 2HG1 VAL 2 -9.784 11.242 -3.772 11 HG13 VAL 2 3HG1 VAL 2 -10.298 12.122 -5.212 12 HG21 VAL 2 1HG2 VAL 2 -11.717 10.123 -6.809 13 HG22 VAL 2 2HG2 VAL 2 -12.365 11.675 -6.275 14 HG23 VAL 2 3HG2 VAL 2 -13.267 10.191 -5.969 15 H VAL 3 H VAL 3 -12.182 9.120 -1.988 16 HA VAL 3 HA VAL 3 -9.755 9.534 -0.630 17 HB VAL 3 HB VAL 3 -11.895 10.046 0.409 18 HG11 VAL 3 1HG1 VAL 3 -13.044 8.038 -0.692 19 HG12 VAL 3 2HG1 VAL 3 -13.504 8.380 0.976 20 HG13 VAL 3 3HG1 VAL 3 -12.379 7.070 0.623 21 HG21 VAL 3 1HG2 VAL 3 -10.651 7.750 1.938 22 HG22 VAL 3 2HG2 VAL 3 -11.432 9.188 2.595 23 HG23 VAL 3 3HG2 VAL 3 -9.869 9.325 1.789 24 H ASP 4 H ASP 4 -11.581 6.570 -1.302 25 HA ASP 4 HA ASP 4 -10.154 4.721 0.160 26 HB2 ASP 4 2HB ASP 4 -12.186 4.288 -1.266 27 HB3 ASP 4 1HB ASP 4 -11.112 4.266 -2.671 28 H ILE 5 H ILE 5 -9.208 6.374 -2.777 29 HA ILE 5 HA ILE 5 -7.040 4.671 -3.439 30 HB ILE 5 HB ILE 5 -7.512 7.556 -4.188 31 HG12 ILE 5 2HG1 ILE 5 -8.109 5.025 -5.751 32 HG13 ILE 5 1HG1 ILE 5 -9.324 5.892 -4.800 33 HG21 ILE 5 1HG2 ILE 5 -6.048 6.880 -6.151 34 HG22 ILE 5 2HG2 ILE 5 -5.653 5.415 -5.253 35 HG23 ILE 5 3HG2 ILE 5 -5.213 6.994 -4.601 36 HD11 ILE 5 1HD1 ILE 5 -8.753 7.964 -6.134 37 HD12 ILE 5 2HD1 ILE 5 -9.503 6.674 -7.075 38 HD13 ILE 5 3HD1 ILE 5 -7.763 6.942 -7.177 39 H LEU 6 H LEU 6 -7.235 7.742 -1.698 40 HA LEU 6 HA LEU 6 -4.437 7.936 -1.266 41 HB2 LEU 6 2HB LEU 6 -4.905 9.950 -0.293 42 HB3 LEU 6 1HB LEU 6 -6.426 9.717 -1.152 43 HG LEU 6 HG LEU 6 -7.241 8.543 1.007 44 HD11 LEU 6 1HD1 LEU 6 -5.676 10.148 2.782 45 HD12 LEU 6 2HD1 LEU 6 -4.556 9.220 1.789 46 HD13 LEU 6 3HD1 LEU 6 -5.795 8.391 2.728 47 HD21 LEU 6 1HD2 LEU 6 -7.932 10.688 1.959 48 HD22 LEU 6 2HD2 LEU 6 -7.982 10.782 0.199 49 HD23 LEU 6 3HD2 LEU 6 -6.645 11.516 1.083 50 H LYS 7 H LYS 7 -7.109 6.612 0.630 51 HA LYS 7 HA LYS 7 -5.402 6.096 2.918 52 HB2 LYS 7 2HB LYS 7 -7.409 6.125 3.938 53 HB3 LYS 7 1HB LYS 7 -8.270 6.013 2.413 54 HG2 LYS 7 2HG LYS 7 -7.019 3.604 3.754 55 HG3 LYS 7 1HG LYS 7 -8.671 4.117 4.066 56 HD2 LYS 7 2HD LYS 7 -8.183 4.048 1.213 57 HD3 LYS 7 1HD LYS 7 -7.775 2.492 1.932 58 HE2 LYS 7 2HE LYS 7 -10.390 3.961 2.381 59 HE3 LYS 7 1HE LYS 7 -10.169 2.630 1.244 60 HZ1 LYS 7 1HZ LYS 7 -9.216 2.107 3.920 61 HZ2 LYS 7 2HZ LYS 7 -10.136 1.128 2.881 62 HZ3 LYS 7 3HZ LYS 7 -10.893 2.333 3.809 63 H GLY 8 H GLY 8 -6.473 4.395 0.075 64 HA2 GLY 8 2HA GLY 8 -5.716 1.774 0.962 65 HA3 GLY 8 1HA GLY 8 -6.065 2.254 -0.697 66 H ALA 9 H ALA 9 -4.126 4.387 -0.794 67 HA ALA 9 HA ALA 9 -1.918 3.115 -1.847 68 HB1 ALA 9 1HB ALA 9 -2.089 5.835 -0.532 69 HB2 ALA 9 2HB ALA 9 -2.299 5.469 -2.244 70 HB3 ALA 9 3HB ALA 9 -0.716 5.283 -1.491 71 H ALA 10 H ALA 10 -2.569 3.972 1.498 72 HA ALA 10 HA ALA 10 0.024 3.564 2.527 73 HB1 ALA 10 1HB ALA 10 -1.061 3.404 4.703 74 HB2 ALA 10 2HB ALA 10 -2.626 3.151 3.928 75 HB3 ALA 10 3HB ALA 10 -1.801 4.702 3.765 76 H LYS 11 H LYS 11 -2.795 1.376 2.416 77 HA LYS 11 HA LYS 11 -1.565 -0.861 3.538 78 HB2 LYS 11 2HB LYS 11 -3.931 -0.340 1.821 79 HB3 LYS 11 1HB LYS 11 -3.339 -1.994 1.864 80 HG2 LYS 11 2HG LYS 11 -3.476 -2.004 4.318 81 HG3 LYS 11 1HG LYS 11 -4.020 -0.326 4.299 82 HD2 LYS 11 2HD LYS 11 -5.959 -1.785 4.529 83 HD3 LYS 11 1HD LYS 11 -5.995 -1.021 2.941 84 HE2 LYS 11 2HE LYS 11 -4.620 -3.671 3.198 85 HE3 LYS 11 1HE LYS 11 -6.383 -3.639 3.202 86 HZ1 LYS 11 1HZ LYS 11 -4.679 -3.446 1.012 87 HZ2 LYS 11 2HZ LYS 11 -5.431 -1.931 1.182 88 HZ3 LYS 11 3HZ LYS 11 -6.372 -3.336 1.026 89 H ASP 12 H ASP 12 -1.503 0.427 0.302 90 HA ASP 12 HA ASP 12 -0.422 -1.818 -1.034 91 HB2 ASP 12 2HB ASP 12 -1.436 0.192 -2.141 92 HB3 ASP 12 1HB ASP 12 0.017 1.094 -1.720 93 H ILE 13 H ILE 13 1.098 0.951 0.591 94 HA ILE 13 HA ILE 13 3.762 0.371 -0.107 95 HB ILE 13 HB ILE 13 2.626 1.757 2.331 96 HG12 ILE 13 2HG1 ILE 13 3.934 2.893 -0.160 97 HG13 ILE 13 1HG1 ILE 13 2.182 2.733 0.034 98 HG21 ILE 13 1HG2 ILE 13 5.458 1.449 1.311 99 HG22 ILE 13 2HG2 ILE 13 4.840 1.076 2.919 100 HG23 ILE 13 3HG2 ILE 13 4.982 2.754 2.397 101 HD11 ILE 13 1HD1 ILE 13 2.200 4.200 1.960 102 HD12 ILE 13 2HD1 ILE 13 3.073 5.007 0.657 103 HD13 ILE 13 3HD1 ILE 13 3.963 4.239 1.971 104 H ALA 14 H ALA 14 1.856 -0.566 2.750 105 HA ALA 14 HA ALA 14 3.891 -2.018 4.046 106 HB1 ALA 14 1HB ALA 14 1.693 -1.256 5.044 107 HB2 ALA 14 2HB ALA 14 2.159 -2.912 5.431 108 HB3 ALA 14 3HB ALA 14 0.932 -2.605 4.202 109 H GLY 15 H GLY 15 1.432 -2.981 1.686 110 HA2 GLY 15 2HA GLY 15 2.041 -5.771 1.764 111 HA3 GLY 15 1HA GLY 15 1.114 -4.944 0.516 112 H HIS 16 H HIS 16 2.931 -3.139 -0.473 113 HA HIS 16 HA HIS 16 4.510 -4.758 -2.182 114 HB2 HIS 16 2HB HIS 16 3.515 -2.332 -2.477 115 HB3 HIS 16 1HB HIS 16 5.081 -1.865 -1.829 116 HD2 HIS 16 2HD HIS 16 6.354 -1.102 -4.200 117 HE1 HIS 16 1HE HIS 16 5.682 -4.683 -6.335 118 HE2 HIS 16 2HE HIS 16 6.867 -2.438 -6.385 119 H LEU 17 H LEU 17 5.265 -2.736 0.624 120 HA LEU 17 HA LEU 17 8.029 -2.808 0.565 121 HB2 LEU 17 2HB LEU 17 6.861 -1.463 2.185 122 HB3 LEU 17 1HB LEU 17 6.174 -2.902 2.921 123 HG LEU 17 HG LEU 17 8.370 -3.657 3.646 124 HD11 LEU 17 1HD1 LEU 17 10.287 -1.918 3.275 125 HD12 LEU 17 2HD1 LEU 17 9.285 -1.347 1.941 126 HD13 LEU 17 3HD1 LEU 17 9.869 -3.011 1.957 127 HD21 LEU 17 1HD2 LEU 17 8.983 -1.716 5.132 128 HD22 LEU 17 2HD2 LEU 17 7.269 -2.126 5.166 129 HD23 LEU 17 3HD2 LEU 17 7.824 -0.733 4.236 130 H ALA 18 H ALA 18 5.769 -5.212 1.837 131 HA ALA 18 HA ALA 18 7.696 -6.970 2.916 132 HB1 ALA 18 1HB ALA 18 4.908 -7.492 1.864 133 HB2 ALA 18 2HB ALA 18 5.367 -7.181 3.538 134 HB3 ALA 18 3HB ALA 18 5.872 -8.674 2.748 135 H SER 19 H SER 19 6.295 -6.636 -0.305 136 HA SER 19 HA SER 19 7.159 -8.998 -1.483 137 HB2 SER 19 2HB SER 19 6.302 -8.032 -3.325 138 HB3 SER 19 1HB SER 19 6.034 -6.583 -2.363 139 HG SER 19 HG SER 19 7.365 -6.352 -4.313 140 H LYS 20 H LYS 20 8.891 -5.859 -1.497 141 HA LYS 20 HA LYS 20 11.246 -6.729 -2.681 142 HB2 LYS 20 2HB LYS 20 11.432 -4.764 -0.451 143 HB3 LYS 20 1HB LYS 20 12.104 -4.679 -2.080 144 HG2 LYS 20 2HG LYS 20 9.130 -4.513 -1.542 145 HG3 LYS 20 1HG LYS 20 10.158 -3.101 -1.563 146 HD2 LYS 20 2HD LYS 20 10.718 -3.364 -3.829 147 HD3 LYS 20 1HD LYS 20 10.221 -5.054 -3.827 148 HE2 LYS 20 2HE LYS 20 7.852 -4.278 -3.438 149 HE3 LYS 20 1HE LYS 20 8.419 -2.625 -3.676 150 HZ1 LYS 20 1HZ LYS 20 8.272 -2.930 -5.847 151 HZ2 LYS 20 2HZ LYS 20 7.743 -4.528 -5.617 152 HZ3 LYS 20 3HZ LYS 20 9.402 -4.192 -5.769 153 H VAL 21 H VAL 21 10.327 -6.745 0.749 154 HA VAL 21 HA VAL 21 12.767 -7.707 1.769 155 HB VAL 21 HB VAL 21 9.945 -8.027 2.814 156 HG11 VAL 21 1HG1 VAL 21 12.648 -8.610 4.042 157 HG12 VAL 21 2HG1 VAL 21 11.272 -9.702 3.888 158 HG13 VAL 21 3HG1 VAL 21 11.200 -8.349 5.016 159 HG21 VAL 21 1HG2 VAL 21 10.448 -6.101 4.165 160 HG22 VAL 21 2HG2 VAL 21 10.904 -5.691 2.510 161 HG23 VAL 21 3HG2 VAL 21 12.145 -6.133 3.683 162 H MET 22 H MET 22 9.911 -9.369 0.513 163 HA MET 22 HA MET 22 10.750 -11.991 1.215 164 HB2 MET 22 2HB MET 22 8.788 -10.978 -0.847 165 HB3 MET 22 1HB MET 22 9.037 -12.688 -0.497 166 HG2 MET 22 2HG MET 22 8.181 -12.499 1.681 167 HG3 MET 22 1HG MET 22 8.446 -10.757 1.736 168 HE1 MET 22 1HE MET 22 5.727 -13.397 1.448 169 HE2 MET 22 2HE MET 22 6.751 -13.634 0.034 170 HE3 MET 22 3HE MET 22 5.073 -13.139 -0.175 171 H ASN 23 H ASN 23 10.947 -10.108 -1.788 172 HA ASN 23 HA ASN 23 11.982 -11.885 -3.567 173 HB2 ASN 23 2HB ASN 23 12.607 -8.995 -3.049 174 HB3 ASN 23 1HB ASN 23 13.479 -9.870 -4.309 175 HD21 ASN 23 1HD2 ASN 23 10.030 -9.652 -3.220 176 HD22 ASN 23 2HD2 ASN 23 9.405 -9.474 -4.787 177 HN1 NH2 24 HN1 NH2 24 14.102 -10.003 -1.318 178 HN2 NH2 24 HN2 NH2 24 15.348 -11.155 -1.314 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -16.267 9.195 -2.383 2 H2 GLY 1 2HT GLY 1 -14.744 9.393 -3.108 3 H3 GLY 1 3HT GLY 1 -15.597 10.746 -2.533 4 HA2 GLY 1 2HA GLY 1 -14.941 10.457 -0.427 5 HA3 GLY 1 1HA GLY 1 -15.110 8.704 -0.546 6 H VAL 2 H VAL 2 -12.977 11.420 -0.966 7 HA VAL 2 HA VAL 2 -10.824 10.164 -2.270 8 HB VAL 2 HB VAL 2 -10.975 12.599 -1.982 9 HG11 VAL 2 1HG1 VAL 2 -10.346 12.035 0.931 10 HG12 VAL 2 2HG1 VAL 2 -11.934 12.513 0.327 11 HG13 VAL 2 3HG1 VAL 2 -10.568 13.621 0.192 12 HG21 VAL 2 1HG2 VAL 2 -8.547 11.503 -0.533 13 HG22 VAL 2 2HG2 VAL 2 -8.642 12.989 -1.476 14 HG23 VAL 2 3HG2 VAL 2 -8.755 11.425 -2.283 15 H VAL 3 H VAL 3 -11.805 10.235 1.104 16 HA VAL 3 HA VAL 3 -9.465 9.255 2.293 17 HB VAL 3 HB VAL 3 -11.497 10.146 3.487 18 HG11 VAL 3 1HG1 VAL 3 -13.065 8.660 2.104 19 HG12 VAL 3 2HG1 VAL 3 -13.394 8.747 3.835 20 HG13 VAL 3 3HG1 VAL 3 -12.572 7.338 3.163 21 HG21 VAL 3 1HG2 VAL 3 -10.352 7.454 4.286 22 HG22 VAL 3 2HG2 VAL 3 -11.332 8.453 5.359 23 HG23 VAL 3 3HG2 VAL 3 -9.776 9.047 4.779 24 H ASP 4 H ASP 4 -12.133 7.576 0.705 25 HA ASP 4 HA ASP 4 -11.296 4.947 1.411 26 HB2 ASP 4 2HB ASP 4 -13.317 6.193 -0.342 27 HB3 ASP 4 1HB ASP 4 -12.735 4.621 -0.900 28 H ILE 5 H ILE 5 -10.468 7.161 -1.163 29 HA ILE 5 HA ILE 5 -9.193 5.212 -2.813 30 HB ILE 5 HB ILE 5 -8.901 8.216 -2.840 31 HG12 ILE 5 2HG1 ILE 5 -10.779 6.410 -4.407 32 HG13 ILE 5 1HG1 ILE 5 -11.264 7.433 -3.047 33 HG21 ILE 5 1HG2 ILE 5 -8.275 7.818 -5.217 34 HG22 ILE 5 2HG2 ILE 5 -8.363 6.080 -4.930 35 HG23 ILE 5 3HG2 ILE 5 -7.147 7.050 -4.100 36 HD11 ILE 5 1HD1 ILE 5 -10.221 9.381 -4.394 37 HD12 ILE 5 2HD1 ILE 5 -11.765 8.741 -4.954 38 HD13 ILE 5 3HD1 ILE 5 -10.272 8.280 -5.770 39 H LEU 6 H LEU 6 -8.163 7.350 -0.249 40 HA LEU 6 HA LEU 6 -5.421 7.380 -0.710 41 HB2 LEU 6 2HB LEU 6 -5.243 8.355 1.362 42 HB3 LEU 6 1HB LEU 6 -6.969 8.579 1.079 43 HG LEU 6 HG LEU 6 -7.230 6.267 2.243 44 HD11 LEU 6 1HD1 LEU 6 -5.384 5.291 3.090 45 HD12 LEU 6 2HD1 LEU 6 -5.010 6.737 4.023 46 HD13 LEU 6 3HD1 LEU 6 -4.396 6.566 2.381 47 HD21 LEU 6 1HD2 LEU 6 -6.744 7.644 4.547 48 HD22 LEU 6 2HD2 LEU 6 -8.170 7.896 3.546 49 HD23 LEU 6 3HD2 LEU 6 -6.785 8.973 3.387 50 H LYS 7 H LYS 7 -7.420 4.861 0.766 51 HA LYS 7 HA LYS 7 -5.245 3.368 1.812 52 HB2 LYS 7 2HB LYS 7 -6.869 1.748 2.335 53 HB3 LYS 7 1HB LYS 7 -7.679 3.287 2.517 54 HG2 LYS 7 2HG LYS 7 -8.143 2.757 -0.119 55 HG3 LYS 7 1HG LYS 7 -8.147 1.127 0.547 56 HD2 LYS 7 2HD LYS 7 -9.763 3.436 1.652 57 HD3 LYS 7 1HD LYS 7 -10.408 2.199 0.573 58 HE2 LYS 7 2HE LYS 7 -9.163 1.672 3.289 59 HE3 LYS 7 1HE LYS 7 -10.892 1.669 2.944 60 HZ1 LYS 7 1HZ LYS 7 -8.822 -0.225 2.050 61 HZ2 LYS 7 2HZ LYS 7 -10.248 -0.034 1.147 62 HZ3 LYS 7 3HZ LYS 7 -10.326 -0.544 2.766 63 H GLY 8 H GLY 8 -6.831 3.524 -1.295 64 HA2 GLY 8 2HA GLY 8 -6.012 1.050 -2.364 65 HA3 GLY 8 1HA GLY 8 -6.395 2.490 -3.303 66 H ALA 9 H ALA 9 -4.524 4.279 -2.703 67 HA ALA 9 HA ALA 9 -2.248 3.425 -4.120 68 HB1 ALA 9 1HB ALA 9 -1.267 5.583 -3.445 69 HB2 ALA 9 2HB ALA 9 -2.569 5.806 -2.277 70 HB3 ALA 9 3HB ALA 9 -2.928 5.779 -4.003 71 H ALA 10 H ALA 10 -2.772 3.954 -0.644 72 HA ALA 10 HA ALA 10 -0.160 3.346 0.205 73 HB1 ALA 10 1HB ALA 10 -1.798 4.445 1.661 74 HB2 ALA 10 2HB ALA 10 -1.182 2.976 2.418 75 HB3 ALA 10 3HB ALA 10 -2.781 2.981 1.674 76 H LYS 11 H LYS 11 -2.995 1.293 -0.330 77 HA LYS 11 HA LYS 11 -2.083 -1.084 0.764 78 HB2 LYS 11 2HB LYS 11 -4.026 -0.298 -1.333 79 HB3 LYS 11 1HB LYS 11 -3.497 -1.973 -1.356 80 HG2 LYS 11 2HG LYS 11 -4.124 -2.219 1.017 81 HG3 LYS 11 1HG LYS 11 -4.627 -0.530 1.057 82 HD2 LYS 11 2HD LYS 11 -6.671 -1.553 0.651 83 HD3 LYS 11 1HD LYS 11 -6.133 -1.267 -1.004 84 HE2 LYS 11 2HE LYS 11 -6.812 -3.537 -0.994 85 HE3 LYS 11 1HE LYS 11 -5.055 -3.611 -0.863 86 HZ1 LYS 11 1HZ LYS 11 -5.943 -5.061 0.761 87 HZ2 LYS 11 2HZ LYS 11 -7.044 -3.894 1.318 88 HZ3 LYS 11 3HZ LYS 11 -5.380 -3.697 1.597 89 H ASP 12 H ASP 12 -1.282 0.464 -2.252 90 HA ASP 12 HA ASP 12 -0.027 -1.713 -3.543 91 HB2 ASP 12 2HB ASP 12 -0.680 0.460 -4.622 92 HB3 ASP 12 1HB ASP 12 0.696 1.210 -3.815 93 H ILE 13 H ILE 13 1.213 0.792 -1.359 94 HA ILE 13 HA ILE 13 3.938 0.143 -1.502 95 HB ILE 13 HB ILE 13 2.445 1.162 0.925 96 HG12 ILE 13 2HG1 ILE 13 3.704 2.719 -1.359 97 HG13 ILE 13 1HG1 ILE 13 1.963 2.461 -1.163 98 HG21 ILE 13 1HG2 ILE 13 4.780 0.454 1.328 99 HG22 ILE 13 2HG2 ILE 13 4.615 2.206 1.453 100 HG23 ILE 13 3HG2 ILE 13 5.317 1.486 0.004 101 HD11 ILE 13 1HD1 ILE 13 2.041 3.584 1.032 102 HD12 ILE 13 2HD1 ILE 13 2.643 4.649 -0.240 103 HD13 ILE 13 3HD1 ILE 13 3.777 3.840 0.842 104 H ALA 14 H ALA 14 1.302 -1.283 0.335 105 HA ALA 14 HA ALA 14 2.778 -2.805 2.168 106 HB1 ALA 14 1HB ALA 14 0.170 -3.587 0.849 107 HB2 ALA 14 2HB ALA 14 0.303 -2.486 2.220 108 HB3 ALA 14 3HB ALA 14 0.791 -4.172 2.393 109 H GLY 15 H GLY 15 1.746 -3.544 -1.146 110 HA2 GLY 15 2HA GLY 15 2.613 -6.213 -1.252 111 HA3 GLY 15 1HA GLY 15 2.447 -5.145 -2.641 112 H HIS 16 H HIS 16 4.327 -3.183 -1.969 113 HA HIS 16 HA HIS 16 6.740 -4.462 -2.798 114 HB2 HIS 16 2HB HIS 16 5.821 -2.004 -3.171 115 HB3 HIS 16 1HB HIS 16 6.752 -1.704 -1.711 116 HD2 HIS 16 2HD HIS 16 9.068 -0.577 -2.775 117 HE1 HIS 16 1HE HIS 16 9.876 -3.580 -5.632 118 HE2 HIS 16 2HE HIS 16 10.758 -1.451 -4.563 119 H LEU 17 H LEU 17 5.653 -2.945 0.219 120 HA LEU 17 HA LEU 17 7.985 -3.094 1.699 121 HB2 LEU 17 2HB LEU 17 6.031 -1.979 2.561 122 HB3 LEU 17 1HB LEU 17 5.151 -3.498 2.597 123 HG LEU 17 HG LEU 17 7.715 -3.579 4.054 124 HD11 LEU 17 1HD1 LEU 17 6.752 -2.344 6.021 125 HD12 LEU 17 2HD1 LEU 17 5.459 -1.773 4.966 126 HD13 LEU 17 3HD1 LEU 17 7.130 -1.306 4.646 127 HD21 LEU 17 1HD2 LEU 17 5.762 -5.284 3.998 128 HD22 LEU 17 2HD2 LEU 17 4.939 -4.173 5.092 129 HD23 LEU 17 3HD2 LEU 17 6.470 -4.909 5.568 130 H ALA 18 H ALA 18 5.551 -5.593 1.129 131 HA ALA 18 HA ALA 18 6.644 -7.558 2.834 132 HB1 ALA 18 1HB ALA 18 5.117 -8.023 0.262 133 HB2 ALA 18 2HB ALA 18 4.357 -7.630 1.805 134 HB3 ALA 18 3HB ALA 18 5.264 -9.132 1.627 135 H SER 19 H SER 19 7.309 -6.647 -0.505 136 HA SER 19 HA SER 19 8.857 -8.823 -1.309 137 HB2 SER 19 2HB SER 19 9.137 -7.568 -3.161 138 HB3 SER 19 1HB SER 19 8.194 -6.319 -2.355 139 HG SER 19 HG SER 19 10.319 -5.659 -3.088 140 H LYS 20 H LYS 20 9.939 -5.784 0.245 141 HA LYS 20 HA LYS 20 12.650 -6.346 0.413 142 HB2 LYS 20 2HB LYS 20 11.342 -5.038 2.747 143 HB3 LYS 20 1HB LYS 20 12.760 -4.533 1.828 144 HG2 LYS 20 2HG LYS 20 9.964 -4.479 0.669 145 HG3 LYS 20 1HG LYS 20 10.655 -3.121 1.523 146 HD2 LYS 20 2HD LYS 20 12.365 -2.814 -0.062 147 HD3 LYS 20 1HD LYS 20 12.149 -4.438 -0.711 148 HE2 LYS 20 2HE LYS 20 10.057 -3.838 -1.738 149 HE3 LYS 20 1HE LYS 20 10.026 -2.289 -0.900 150 HZ1 LYS 20 1HZ LYS 20 11.265 -1.384 -2.479 151 HZ2 LYS 20 2HZ LYS 20 11.109 -2.817 -3.379 152 HZ3 LYS 20 3HZ LYS 20 12.442 -2.598 -2.349 153 H VAL 21 H VAL 21 10.050 -7.218 2.668 154 HA VAL 21 HA VAL 21 11.672 -8.474 4.599 155 HB VAL 21 HB VAL 21 8.795 -9.081 3.878 156 HG11 VAL 21 1HG1 VAL 21 10.532 -9.677 6.281 157 HG12 VAL 21 2HG1 VAL 21 9.607 -10.814 5.300 158 HG13 VAL 21 3HG1 VAL 21 8.770 -9.687 6.369 159 HG21 VAL 21 1HG2 VAL 21 9.960 -7.145 5.907 160 HG22 VAL 21 2HG2 VAL 21 8.245 -7.446 5.626 161 HG23 VAL 21 3HG2 VAL 21 9.224 -6.679 4.373 162 H MET 22 H MET 22 10.108 -9.670 1.668 163 HA MET 22 HA MET 22 10.697 -12.415 2.084 164 HB2 MET 22 2HB MET 22 10.047 -10.818 -0.395 165 HB3 MET 22 1HB MET 22 10.286 -12.566 -0.414 166 HG2 MET 22 2HG MET 22 8.453 -12.902 1.123 167 HG3 MET 22 1HG MET 22 8.294 -11.166 1.389 168 HE1 MET 22 1HE MET 22 5.147 -12.540 -0.547 169 HE2 MET 22 2HE MET 22 5.533 -11.287 0.630 170 HE3 MET 22 3HE MET 22 6.088 -12.937 0.898 171 H ASN 23 H ASN 23 12.305 -9.865 0.202 172 HA ASN 23 HA ASN 23 14.294 -11.171 -1.090 173 HB2 ASN 23 2HB ASN 23 14.344 -8.586 0.446 174 HB3 ASN 23 1HB ASN 23 15.778 -9.160 -0.403 175 HD21 ASN 23 1HD2 ASN 23 12.593 -7.759 -0.823 176 HD22 ASN 23 2HD2 ASN 23 12.676 -7.606 -2.512 177 HN1 NH2 24 HN1 NH2 24 14.922 -9.942 2.252 178 HN2 NH2 24 HN2 NH2 24 15.968 -11.212 2.668 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -14.654 7.088 -1.787 2 H2 GLY 1 2HT GLY 1 -15.955 8.165 -1.965 3 H3 GLY 1 3HT GLY 1 -14.509 8.686 -1.241 4 HA2 GLY 1 2HA GLY 1 -14.749 7.789 -4.060 5 HA3 GLY 1 1HA GLY 1 -14.753 9.476 -3.546 6 H VAL 2 H VAL 2 -12.826 10.186 -4.343 7 HA VAL 2 HA VAL 2 -10.432 8.814 -4.564 8 HB VAL 2 HB VAL 2 -9.360 11.107 -4.415 9 HG11 VAL 2 1HG1 VAL 2 -11.783 10.772 -6.210 10 HG12 VAL 2 2HG1 VAL 2 -10.164 10.157 -6.540 11 HG13 VAL 2 3HG1 VAL 2 -10.454 11.896 -6.489 12 HG21 VAL 2 1HG2 VAL 2 -10.959 12.106 -2.835 13 HG22 VAL 2 2HG2 VAL 2 -12.262 11.904 -4.007 14 HG23 VAL 2 3HG2 VAL 2 -10.940 13.022 -4.341 15 H VAL 3 H VAL 3 -11.795 10.474 -1.772 16 HA VAL 3 HA VAL 3 -9.505 10.424 -0.130 17 HB VAL 3 HB VAL 3 -12.375 10.246 0.800 18 HG11 VAL 3 1HG1 VAL 3 -11.530 11.389 2.768 19 HG12 VAL 3 2HG1 VAL 3 -9.937 11.561 2.033 20 HG13 VAL 3 3HG1 VAL 3 -10.532 9.963 2.484 21 HG21 VAL 3 1HG2 VAL 3 -12.187 12.047 -0.844 22 HG22 VAL 3 2HG2 VAL 3 -10.732 12.651 -0.053 23 HG23 VAL 3 3HG2 VAL 3 -12.287 12.744 0.773 24 H ASP 4 H ASP 4 -12.147 8.100 -0.578 25 HA ASP 4 HA ASP 4 -11.263 6.291 1.439 26 HB2 ASP 4 2HB ASP 4 -13.573 6.292 0.604 27 HB3 ASP 4 1HB ASP 4 -12.999 5.791 -0.992 28 H ILE 5 H ILE 5 -10.491 6.744 -1.940 29 HA ILE 5 HA ILE 5 -9.177 4.228 -2.261 30 HB ILE 5 HB ILE 5 -9.094 6.732 -3.939 31 HG12 ILE 5 2HG1 ILE 5 -10.589 4.131 -4.393 32 HG13 ILE 5 1HG1 ILE 5 -11.324 5.552 -3.636 33 HG21 ILE 5 1HG2 ILE 5 -8.051 3.924 -4.386 34 HG22 ILE 5 2HG2 ILE 5 -7.147 5.437 -4.461 35 HG23 ILE 5 3HG2 ILE 5 -8.334 5.056 -5.708 36 HD11 ILE 5 1HD1 ILE 5 -11.654 5.286 -6.177 37 HD12 ILE 5 2HD1 ILE 5 -9.951 5.715 -6.324 38 HD13 ILE 5 3HD1 ILE 5 -11.088 6.855 -5.607 39 H LEU 6 H LEU 6 -8.194 7.458 -1.351 40 HA LEU 6 HA LEU 6 -5.456 7.301 -1.793 41 HB2 LEU 6 2HB LEU 6 -5.306 9.233 -0.551 42 HB3 LEU 6 1HB LEU 6 -7.040 9.228 -0.874 43 HG LEU 6 HG LEU 6 -7.235 7.875 1.331 44 HD11 LEU 6 1HD1 LEU 6 -5.059 9.161 2.645 45 HD12 LEU 6 2HD1 LEU 6 -4.385 8.334 1.243 46 HD13 LEU 6 3HD1 LEU 6 -5.320 7.431 2.433 47 HD21 LEU 6 1HD2 LEU 6 -6.706 10.278 2.553 48 HD22 LEU 6 2HD2 LEU 6 -8.183 9.927 1.663 49 HD23 LEU 6 3HD2 LEU 6 -6.859 10.777 0.869 50 H LYS 7 H LYS 7 -7.418 5.728 0.580 51 HA LYS 7 HA LYS 7 -5.207 5.071 2.333 52 HB2 LYS 7 2HB LYS 7 -6.918 4.784 3.768 53 HB3 LYS 7 1HB LYS 7 -8.100 4.825 2.472 54 HG2 LYS 7 2HG LYS 7 -6.479 2.349 3.106 55 HG3 LYS 7 1HG LYS 7 -8.029 2.690 3.863 56 HD2 LYS 7 2HD LYS 7 -8.206 3.051 0.985 57 HD3 LYS 7 1HD LYS 7 -7.617 1.437 1.372 58 HE2 LYS 7 2HE LYS 7 -10.069 1.442 1.276 59 HE3 LYS 7 1HE LYS 7 -9.526 1.128 2.925 60 HZ1 LYS 7 1HZ LYS 7 -11.127 2.741 3.213 61 HZ2 LYS 7 2HZ LYS 7 -10.709 3.577 1.794 62 HZ3 LYS 7 3HZ LYS 7 -9.710 3.671 3.165 63 H GLY 8 H GLY 8 -6.805 3.653 -0.417 64 HA2 GLY 8 2HA GLY 8 -5.941 0.986 -0.165 65 HA3 GLY 8 1HA GLY 8 -6.324 1.791 -1.683 66 H ALA 9 H ALA 9 -4.314 3.875 -1.330 67 HA ALA 9 HA ALA 9 -2.134 2.645 -2.619 68 HB1 ALA 9 1HB ALA 9 -2.521 4.980 -2.980 69 HB2 ALA 9 2HB ALA 9 -0.970 4.841 -2.152 70 HB3 ALA 9 3HB ALA 9 -2.410 5.326 -1.255 71 H ALA 10 H ALA 10 -2.396 3.951 0.694 72 HA ALA 10 HA ALA 10 0.137 3.262 1.605 73 HB1 ALA 10 1HB ALA 10 -2.516 3.464 3.027 74 HB2 ALA 10 2HB ALA 10 -1.194 4.631 3.010 75 HB3 ALA 10 3HB ALA 10 -1.017 3.111 3.887 76 H LYS 11 H LYS 11 -2.816 1.302 1.499 77 HA LYS 11 HA LYS 11 -1.818 -0.941 2.862 78 HB2 LYS 11 2HB LYS 11 -4.081 -0.357 1.021 79 HB3 LYS 11 1HB LYS 11 -3.642 -2.044 1.242 80 HG2 LYS 11 2HG LYS 11 -3.835 -1.777 3.695 81 HG3 LYS 11 1HG LYS 11 -4.276 -0.086 3.466 82 HD2 LYS 11 2HD LYS 11 -6.408 -0.933 3.538 83 HD3 LYS 11 1HD LYS 11 -6.101 -1.242 1.830 84 HE2 LYS 11 2HE LYS 11 -5.972 -3.174 4.142 85 HE3 LYS 11 1HE LYS 11 -6.883 -3.316 2.639 86 HZ1 LYS 11 1HZ LYS 11 -4.985 -3.818 1.439 87 HZ2 LYS 11 2HZ LYS 11 -4.735 -4.657 2.895 88 HZ3 LYS 11 3HZ LYS 11 -3.936 -3.186 2.612 89 H ASP 12 H ASP 12 -1.603 0.097 -0.462 90 HA ASP 12 HA ASP 12 -0.615 -2.344 -1.544 91 HB2 ASP 12 2HB ASP 12 -1.617 -0.488 -2.891 92 HB3 ASP 12 1HB ASP 12 -0.163 0.460 -2.583 93 H ILE 13 H ILE 13 0.982 0.623 -0.391 94 HA ILE 13 HA ILE 13 3.618 -0.064 -1.012 95 HB ILE 13 HB ILE 13 2.641 1.505 1.387 96 HG12 ILE 13 2HG1 ILE 13 3.453 2.460 -1.380 97 HG13 ILE 13 1HG1 ILE 13 1.777 2.305 -0.829 98 HG21 ILE 13 1HG2 ILE 13 5.300 1.430 -0.075 99 HG22 ILE 13 2HG2 ILE 13 4.999 0.873 1.571 100 HG23 ILE 13 3HG2 ILE 13 4.881 2.590 1.185 101 HD11 ILE 13 1HD1 ILE 13 2.483 4.613 -0.528 102 HD12 ILE 13 2HD1 ILE 13 3.918 4.097 0.357 103 HD13 ILE 13 3HD1 ILE 13 2.318 3.863 1.060 104 H ALA 14 H ALA 14 1.738 -0.733 1.933 105 HA ALA 14 HA ALA 14 3.760 -2.008 3.397 106 HB1 ALA 14 1HB ALA 14 1.597 -1.316 4.364 107 HB2 ALA 14 2HB ALA 14 1.940 -3.014 4.693 108 HB3 ALA 14 3HB ALA 14 0.786 -2.575 3.434 109 H GLY 15 H GLY 15 1.759 -3.129 0.768 110 HA2 GLY 15 2HA GLY 15 2.324 -5.929 1.162 111 HA3 GLY 15 1HA GLY 15 1.540 -5.207 -0.239 112 H HIS 16 H HIS 16 3.471 -3.388 -1.053 113 HA HIS 16 HA HIS 16 5.272 -5.090 -2.458 114 HB2 HIS 16 2HB HIS 16 4.250 -2.729 -3.065 115 HB3 HIS 16 1HB HIS 16 5.719 -2.161 -2.285 116 HD2 HIS 16 2HD HIS 16 7.145 -1.507 -4.621 117 HE1 HIS 16 1HE HIS 16 6.980 -5.336 -6.392 118 HE2 HIS 16 2HE HIS 16 7.989 -3.014 -6.579 119 H LEU 17 H LEU 17 5.677 -2.714 0.152 120 HA LEU 17 HA LEU 17 8.425 -2.791 0.436 121 HB2 LEU 17 2HB LEU 17 7.104 -1.230 1.704 122 HB3 LEU 17 1HB LEU 17 6.302 -2.548 2.543 123 HG LEU 17 HG LEU 17 8.374 -3.203 3.631 124 HD11 LEU 17 1HD1 LEU 17 10.077 -2.813 2.054 125 HD12 LEU 17 2HD1 LEU 17 10.367 -1.558 3.256 126 HD13 LEU 17 3HD1 LEU 17 9.545 -1.160 1.748 127 HD21 LEU 17 1HD2 LEU 17 7.796 -0.230 3.728 128 HD22 LEU 17 2HD2 LEU 17 8.867 -1.044 4.867 129 HD23 LEU 17 3HD2 LEU 17 7.160 -1.478 4.796 130 H ALA 18 H ALA 18 5.989 -5.003 1.723 131 HA ALA 18 HA ALA 18 7.740 -6.601 3.262 132 HB1 ALA 18 1HB ALA 18 5.089 -7.243 1.952 133 HB2 ALA 18 2HB ALA 18 5.354 -6.739 3.621 134 HB3 ALA 18 3HB ALA 18 5.921 -8.319 3.076 135 H SER 19 H SER 19 6.883 -6.562 -0.132 136 HA SER 19 HA SER 19 7.820 -9.099 -0.883 137 HB2 SER 19 2HB SER 19 7.280 -8.405 -2.967 138 HB3 SER 19 1HB SER 19 6.693 -6.941 -2.186 139 HG SER 19 HG SER 19 9.132 -7.441 -3.495 140 H LYS 20 H LYS 20 9.507 -5.946 -0.907 141 HA LYS 20 HA LYS 20 11.969 -6.743 -1.855 142 HB2 LYS 20 2HB LYS 20 11.920 -4.861 0.452 143 HB3 LYS 20 1HB LYS 20 12.733 -4.705 -1.105 144 HG2 LYS 20 2HG LYS 20 9.720 -4.589 -0.811 145 HG3 LYS 20 1HG LYS 20 10.735 -3.169 -0.732 146 HD2 LYS 20 2HD LYS 20 11.480 -3.405 -2.952 147 HD3 LYS 20 1HD LYS 20 10.965 -5.089 -3.014 148 HE2 LYS 20 2HE LYS 20 8.655 -4.484 -3.101 149 HE3 LYS 20 1HE LYS 20 9.010 -2.811 -2.668 150 HZ1 LYS 20 1HZ LYS 20 10.516 -3.383 -4.918 151 HZ2 LYS 20 2HZ LYS 20 9.155 -2.372 -4.818 152 HZ3 LYS 20 3HZ LYS 20 8.971 -4.010 -5.226 153 H VAL 21 H VAL 21 10.653 -7.077 1.404 154 HA VAL 21 HA VAL 21 13.048 -7.993 2.618 155 HB VAL 21 HB VAL 21 10.172 -8.461 3.432 156 HG11 VAL 21 1HG1 VAL 21 11.267 -8.693 5.715 157 HG12 VAL 21 2HG1 VAL 21 12.815 -8.782 4.873 158 HG13 VAL 21 3HG1 VAL 21 11.587 -10.016 4.594 159 HG21 VAL 21 1HG2 VAL 21 10.700 -6.077 3.261 160 HG22 VAL 21 2HG2 VAL 21 12.181 -6.316 4.188 161 HG23 VAL 21 3HG2 VAL 21 10.611 -6.537 4.961 162 H MET 22 H MET 22 10.402 -9.568 0.929 163 HA MET 22 HA MET 22 11.127 -12.235 1.632 164 HB2 MET 22 2HB MET 22 9.433 -11.134 -0.618 165 HB3 MET 22 1HB MET 22 9.602 -12.852 -0.256 166 HG2 MET 22 2HG MET 22 8.541 -12.632 1.847 167 HG3 MET 22 1HG MET 22 8.754 -10.881 1.867 168 HE1 MET 22 1HE MET 22 4.953 -12.634 1.248 169 HE2 MET 22 2HE MET 22 6.031 -12.204 2.574 170 HE3 MET 22 3HE MET 22 6.407 -13.594 1.557 171 H ASN 23 H ASN 23 11.882 -10.090 -1.069 172 HA ASN 23 HA ASN 23 12.962 -11.696 -2.960 173 HB2 ASN 23 2HB ASN 23 14.027 -9.102 -1.854 174 HB3 ASN 23 1HB ASN 23 14.751 -9.893 -3.252 175 HD21 ASN 23 1HD2 ASN 23 11.258 -9.897 -2.509 176 HD22 ASN 23 2HD2 ASN 23 10.807 -8.986 -3.868 177 HN1 NH2 24 HN1 NH2 24 14.302 -11.250 0.272 178 HN2 NH2 24 HN2 NH2 24 15.633 -12.280 0.054 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -16.252 9.692 -1.040 2 H2 GLY 1 2HT GLY 1 -15.141 9.040 -2.148 3 H3 GLY 1 3HT GLY 1 -14.793 10.498 -1.349 4 HA2 GLY 1 2HA GLY 1 -14.942 9.174 0.798 5 HA3 GLY 1 1HA GLY 1 -14.834 7.756 -0.246 6 H VAL 2 H VAL 2 -13.143 10.500 1.057 7 HA VAL 2 HA VAL 2 -10.836 10.605 -0.465 8 HB VAL 2 HB VAL 2 -11.319 12.152 1.388 9 HG11 VAL 2 1HG1 VAL 2 -10.531 9.845 3.189 10 HG12 VAL 2 2HG1 VAL 2 -12.193 10.378 2.936 11 HG13 VAL 2 3HG1 VAL 2 -11.026 11.461 3.696 12 HG21 VAL 2 1HG2 VAL 2 -9.060 12.413 2.117 13 HG22 VAL 2 2HG2 VAL 2 -8.953 11.668 0.522 14 HG23 VAL 2 3HG2 VAL 2 -8.738 10.685 1.970 15 H VAL 3 H VAL 3 -11.765 8.273 2.002 16 HA VAL 3 HA VAL 3 -9.298 6.996 2.372 17 HB VAL 3 HB VAL 3 -12.017 5.675 2.408 18 HG11 VAL 3 1HG1 VAL 3 -9.351 5.084 3.719 19 HG12 VAL 3 2HG1 VAL 3 -10.238 4.065 2.586 20 HG13 VAL 3 3HG1 VAL 3 -10.862 4.321 4.215 21 HG21 VAL 3 1HG2 VAL 3 -10.585 7.408 4.433 22 HG22 VAL 3 2HG2 VAL 3 -11.857 6.277 4.895 23 HG23 VAL 3 3HG2 VAL 3 -12.217 7.608 3.796 24 H ASP 4 H ASP 4 -11.905 6.333 0.053 25 HA ASP 4 HA ASP 4 -10.979 4.059 -1.175 26 HB2 ASP 4 2HB ASP 4 -13.104 5.294 -1.708 27 HB3 ASP 4 1HB ASP 4 -12.135 6.428 -2.659 28 H ILE 5 H ILE 5 -9.725 7.310 -1.432 29 HA ILE 5 HA ILE 5 -8.026 6.713 -3.668 30 HB ILE 5 HB ILE 5 -8.142 9.105 -1.835 31 HG12 ILE 5 2HG1 ILE 5 -9.058 8.794 -4.711 32 HG13 ILE 5 1HG1 ILE 5 -10.140 8.613 -3.322 33 HG21 ILE 5 1HG2 ILE 5 -6.843 10.165 -3.759 34 HG22 ILE 5 2HG2 ILE 5 -6.549 8.527 -4.343 35 HG23 ILE 5 3HG2 ILE 5 -5.937 9.024 -2.765 36 HD11 ILE 5 1HD1 ILE 5 -10.134 10.926 -4.343 37 HD12 ILE 5 2HD1 ILE 5 -8.457 11.085 -3.822 38 HD13 ILE 5 3HD1 ILE 5 -9.737 10.889 -2.625 39 H LEU 6 H LEU 6 -7.488 7.502 -0.263 40 HA LEU 6 HA LEU 6 -4.704 7.044 -0.315 41 HB2 LEU 6 2HB LEU 6 -4.747 7.621 1.905 42 HB3 LEU 6 1HB LEU 6 -6.299 8.285 1.401 43 HG LEU 6 HG LEU 6 -7.254 5.943 2.043 44 HD11 LEU 6 1HD1 LEU 6 -5.513 5.481 4.220 45 HD12 LEU 6 2HD1 LEU 6 -4.466 5.650 2.813 46 HD13 LEU 6 3HD1 LEU 6 -5.753 4.446 2.815 47 HD21 LEU 6 1HD2 LEU 6 -7.732 6.738 4.251 48 HD22 LEU 6 2HD2 LEU 6 -7.544 8.181 3.256 49 HD23 LEU 6 3HD2 LEU 6 -6.234 7.664 4.317 50 H LYS 7 H LYS 7 -7.361 4.864 -0.202 51 HA LYS 7 HA LYS 7 -5.894 2.735 1.106 52 HB2 LYS 7 2HB LYS 7 -8.003 2.026 1.458 53 HB3 LYS 7 1HB LYS 7 -8.656 3.131 0.261 54 HG2 LYS 7 2HG LYS 7 -7.317 0.525 -0.495 55 HG3 LYS 7 1HG LYS 7 -9.042 0.655 -0.182 56 HD2 LYS 7 2HD LYS 7 -8.192 2.772 -1.969 57 HD3 LYS 7 1HD LYS 7 -7.720 1.204 -2.618 58 HE2 LYS 7 2HE LYS 7 -10.509 1.804 -1.600 59 HE3 LYS 7 1HE LYS 7 -10.038 1.976 -3.291 60 HZ1 LYS 7 1HZ LYS 7 -10.632 -0.165 -3.412 61 HZ2 LYS 7 2HZ LYS 7 -10.510 -0.415 -1.737 62 HZ3 LYS 7 3HZ LYS 7 -9.119 -0.472 -2.710 63 H GLY 8 H GLY 8 -6.427 3.854 -2.147 64 HA2 GLY 8 2HA GLY 8 -5.567 1.492 -3.498 65 HA3 GLY 8 1HA GLY 8 -5.656 3.109 -4.190 66 H ALA 9 H ALA 9 -3.913 4.621 -2.982 67 HA ALA 9 HA ALA 9 -1.393 3.756 -3.892 68 HB1 ALA 9 1HB ALA 9 -2.110 6.144 -3.608 69 HB2 ALA 9 2HB ALA 9 -0.526 5.785 -2.920 70 HB3 ALA 9 3HB ALA 9 -1.932 5.935 -1.866 71 H ALA 10 H ALA 10 -2.904 3.712 -0.708 72 HA ALA 10 HA ALA 10 -0.641 3.054 0.824 73 HB1 ALA 10 1HB ALA 10 -2.625 3.745 1.959 74 HB2 ALA 10 2HB ALA 10 -2.345 2.065 2.416 75 HB3 ALA 10 3HB ALA 10 -3.576 2.460 1.215 76 H LYS 11 H LYS 11 -2.949 1.017 -0.938 77 HA LYS 11 HA LYS 11 -2.106 -1.479 -0.034 78 HB2 LYS 11 2HB LYS 11 -3.526 -0.424 -2.419 79 HB3 LYS 11 1HB LYS 11 -2.842 -2.037 -2.560 80 HG2 LYS 11 2HG LYS 11 -4.043 -2.767 -0.562 81 HG3 LYS 11 1HG LYS 11 -4.660 -1.133 -0.314 82 HD2 LYS 11 2HD LYS 11 -6.372 -2.515 -1.399 83 HD3 LYS 11 1HD LYS 11 -5.822 -1.255 -2.504 84 HE2 LYS 11 2HE LYS 11 -4.426 -3.909 -2.560 85 HE3 LYS 11 1HE LYS 11 -6.011 -3.774 -3.319 86 HZ1 LYS 11 1HZ LYS 11 -3.480 -2.672 -4.143 87 HZ2 LYS 11 2HZ LYS 11 -4.764 -1.560 -4.200 88 HZ3 LYS 11 3HZ LYS 11 -4.862 -3.021 -5.061 89 H ASP 12 H ASP 12 -0.767 0.666 -2.437 90 HA ASP 12 HA ASP 12 1.022 -1.158 -3.662 91 HB2 ASP 12 2HB ASP 12 0.348 1.140 -4.514 92 HB3 ASP 12 1HB ASP 12 1.480 1.809 -3.340 93 H ILE 13 H ILE 13 1.430 1.145 -0.983 94 HA ILE 13 HA ILE 13 4.156 0.646 -0.497 95 HB ILE 13 HB ILE 13 2.084 1.386 1.578 96 HG12 ILE 13 2HG1 ILE 13 3.610 3.181 -0.343 97 HG13 ILE 13 1HG1 ILE 13 1.881 2.812 -0.450 98 HG21 ILE 13 1HG2 ILE 13 5.018 2.103 1.308 99 HG22 ILE 13 2HG2 ILE 13 4.403 0.814 2.343 100 HG23 ILE 13 3HG2 ILE 13 3.959 2.490 2.664 101 HD11 ILE 13 1HD1 ILE 13 3.323 4.316 1.746 102 HD12 ILE 13 2HD1 ILE 13 1.680 3.703 1.932 103 HD13 ILE 13 3HD1 ILE 13 2.036 4.907 0.694 104 H ALA 14 H ALA 14 1.250 -0.741 1.034 105 HA ALA 14 HA ALA 14 2.562 -2.495 2.783 106 HB1 ALA 14 1HB ALA 14 0.408 -3.793 2.711 107 HB2 ALA 14 2HB ALA 14 -0.140 -2.700 1.440 108 HB3 ALA 14 3HB ALA 14 0.207 -2.074 3.051 109 H GLY 15 H GLY 15 1.684 -2.824 -0.613 110 HA2 GLY 15 2HA GLY 15 2.284 -5.607 -0.827 111 HA3 GLY 15 1HA GLY 15 2.124 -4.474 -2.165 112 H HIS 16 H HIS 16 4.122 -2.630 -1.411 113 HA HIS 16 HA HIS 16 6.442 -3.963 -2.412 114 HB2 HIS 16 2HB HIS 16 5.630 -1.445 -2.597 115 HB3 HIS 16 1HB HIS 16 6.616 -1.285 -1.151 116 HD2 HIS 16 2HD HIS 16 8.861 -0.083 -2.338 117 HE1 HIS 16 1HE HIS 16 9.601 -3.103 -5.194 118 HE2 HIS 16 2HE HIS 16 10.502 -0.962 -4.169 119 H LEU 17 H LEU 17 5.525 -2.579 0.724 120 HA LEU 17 HA LEU 17 7.885 -2.957 2.120 121 HB2 LEU 17 2HB LEU 17 5.792 -1.829 2.959 122 HB3 LEU 17 1HB LEU 17 5.156 -3.441 3.262 123 HG LEU 17 HG LEU 17 7.427 -3.792 4.556 124 HD11 LEU 17 1HD1 LEU 17 7.082 -0.777 4.561 125 HD12 LEU 17 2HD1 LEU 17 8.460 -1.674 3.925 126 HD13 LEU 17 3HD1 LEU 17 8.141 -1.663 5.657 127 HD21 LEU 17 1HD2 LEU 17 5.335 -3.930 5.713 128 HD22 LEU 17 2HD2 LEU 17 5.042 -2.201 5.526 129 HD23 LEU 17 3HD2 LEU 17 6.311 -2.767 6.611 130 H ALA 18 H ALA 18 5.372 -5.289 1.306 131 HA ALA 18 HA ALA 18 6.381 -7.409 2.911 132 HB1 ALA 18 1HB ALA 18 4.628 -7.447 0.443 133 HB2 ALA 18 2HB ALA 18 4.082 -7.450 2.120 134 HB3 ALA 18 3HB ALA 18 4.944 -8.844 1.471 135 H SER 19 H SER 19 7.014 -6.256 -0.343 136 HA SER 19 HA SER 19 8.390 -8.461 -1.379 137 HB2 SER 19 2HB SER 19 8.631 -7.088 -3.147 138 HB3 SER 19 1HB SER 19 7.843 -5.834 -2.195 139 HG SER 19 HG SER 19 10.610 -6.394 -2.443 140 H LYS 20 H LYS 20 9.651 -5.637 0.416 141 HA LYS 20 HA LYS 20 12.347 -6.307 0.406 142 HB2 LYS 20 2HB LYS 20 11.203 -5.191 2.915 143 HB3 LYS 20 1HB LYS 20 12.584 -4.637 1.968 144 HG2 LYS 20 2HG LYS 20 9.729 -4.392 0.987 145 HG3 LYS 20 1HG LYS 20 10.515 -3.144 1.923 146 HD2 LYS 20 2HD LYS 20 12.120 -2.709 0.270 147 HD3 LYS 20 1HD LYS 20 11.859 -4.274 -0.497 148 HE2 LYS 20 2HE LYS 20 9.771 -3.589 -1.420 149 HE3 LYS 20 1HE LYS 20 9.702 -2.160 -0.389 150 HZ1 LYS 20 1HZ LYS 20 12.080 -1.985 -1.771 151 HZ2 LYS 20 2HZ LYS 20 10.677 -1.059 -2.025 152 HZ3 LYS 20 3HZ LYS 20 10.936 -2.480 -2.922 153 H VAL 21 H VAL 21 9.817 -7.276 2.707 154 HA VAL 21 HA VAL 21 11.502 -8.814 4.378 155 HB VAL 21 HB VAL 21 8.526 -9.074 3.890 156 HG11 VAL 21 1HG1 VAL 21 10.354 -10.104 6.076 157 HG12 VAL 21 2HG1 VAL 21 9.363 -11.063 4.977 158 HG13 VAL 21 3HG1 VAL 21 8.596 -10.064 6.212 159 HG21 VAL 21 1HG2 VAL 21 9.441 -6.818 4.668 160 HG22 VAL 21 2HG2 VAL 21 9.969 -7.643 6.134 161 HG23 VAL 21 3HG2 VAL 21 8.253 -7.569 5.734 162 H MET 22 H MET 22 9.572 -9.598 1.524 163 HA MET 22 HA MET 22 9.986 -12.407 1.636 164 HB2 MET 22 2HB MET 22 9.203 -10.551 -0.615 165 HB3 MET 22 1HB MET 22 9.285 -12.305 -0.791 166 HG2 MET 22 2HG MET 22 7.543 -12.659 0.771 167 HG3 MET 22 1HG MET 22 7.679 -11.026 1.421 168 HE1 MET 22 1HE MET 22 6.325 -13.398 -1.109 169 HE2 MET 22 2HE MET 22 7.434 -12.602 -2.223 170 HE3 MET 22 3HE MET 22 5.695 -12.431 -2.449 171 H ASN 23 H ASN 23 11.652 -9.753 0.008 172 HA ASN 23 HA ASN 23 13.380 -11.102 -1.656 173 HB2 ASN 23 2HB ASN 23 13.669 -8.604 -0.017 174 HB3 ASN 23 1HB ASN 23 15.031 -9.198 -0.967 175 HD21 ASN 23 1HD2 ASN 23 11.964 -7.553 -1.144 176 HD22 ASN 23 2HD2 ASN 23 11.932 -7.373 -2.831 177 HN1 NH2 24 HN1 NH2 24 13.422 -11.093 1.859 178 HN2 NH2 24 HN2 NH2 24 14.837 -12.014 2.026 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -14.754 7.699 -2.862 2 H2 GLY 1 2HT GLY 1 -16.404 7.775 -2.461 3 H3 GLY 1 3HT GLY 1 -15.533 6.335 -2.224 4 HA2 GLY 1 2HA GLY 1 -15.791 8.610 -0.511 5 HA3 GLY 1 1HA GLY 1 -15.223 6.982 -0.136 6 H VAL 2 H VAL 2 -14.129 9.631 0.645 7 HA VAL 2 HA VAL 2 -11.799 10.283 -0.771 8 HB VAL 2 HB VAL 2 -11.023 11.196 1.475 9 HG11 VAL 2 1HG1 VAL 2 -13.815 11.933 0.542 10 HG12 VAL 2 2HG1 VAL 2 -12.317 12.514 -0.186 11 HG13 VAL 2 3HG1 VAL 2 -12.726 12.964 1.470 12 HG21 VAL 2 1HG2 VAL 2 -12.272 9.515 2.838 13 HG22 VAL 2 2HG2 VAL 2 -13.784 10.245 2.302 14 HG23 VAL 2 3HG2 VAL 2 -12.658 11.174 3.293 15 H VAL 3 H VAL 3 -12.417 7.824 1.674 16 HA VAL 3 HA VAL 3 -9.762 7.119 2.259 17 HB VAL 3 HB VAL 3 -11.648 6.321 3.595 18 HG11 VAL 3 1HG1 VAL 3 -13.257 4.773 2.763 19 HG12 VAL 3 2HG1 VAL 3 -12.318 4.468 1.300 20 HG13 VAL 3 3HG1 VAL 3 -13.128 6.019 1.521 21 HG21 VAL 3 1HG2 VAL 3 -9.471 5.005 3.391 22 HG22 VAL 3 2HG2 VAL 3 -10.317 3.947 2.262 23 HG23 VAL 3 3HG2 VAL 3 -10.869 4.076 3.933 24 H ASP 4 H ASP 4 -11.975 5.979 -0.261 25 HA ASP 4 HA ASP 4 -10.562 3.884 -1.342 26 HB2 ASP 4 2HB ASP 4 -12.805 4.786 -2.100 27 HB3 ASP 4 1HB ASP 4 -11.912 6.008 -3.016 28 H ILE 5 H ILE 5 -9.863 7.303 -1.550 29 HA ILE 5 HA ILE 5 -7.880 7.015 -3.598 30 HB ILE 5 HB ILE 5 -8.474 9.339 -1.769 31 HG12 ILE 5 2HG1 ILE 5 -9.259 8.944 -4.670 32 HG13 ILE 5 1HG1 ILE 5 -10.328 8.525 -3.323 33 HG21 ILE 5 1HG2 ILE 5 -6.802 9.073 -4.284 34 HG22 ILE 5 2HG2 ILE 5 -6.243 9.543 -2.679 35 HG23 ILE 5 3HG2 ILE 5 -7.295 10.621 -3.597 36 HD11 ILE 5 1HD1 ILE 5 -9.107 11.270 -3.742 37 HD12 ILE 5 2HD1 ILE 5 -10.302 10.821 -2.525 38 HD13 ILE 5 3HD1 ILE 5 -10.742 10.825 -4.232 39 H LEU 6 H LEU 6 -7.754 7.909 -0.174 40 HA LEU 6 HA LEU 6 -4.955 7.894 0.036 41 HB2 LEU 6 2HB LEU 6 -5.286 8.352 2.264 42 HB3 LEU 6 1HB LEU 6 -6.870 8.786 1.627 43 HG LEU 6 HG LEU 6 -7.507 6.310 2.113 44 HD11 LEU 6 1HD1 LEU 6 -5.846 6.069 4.421 45 HD12 LEU 6 2HD1 LEU 6 -4.780 6.345 3.047 46 HD13 LEU 6 3HD1 LEU 6 -5.916 5.001 3.023 47 HD21 LEU 6 1HD2 LEU 6 -8.231 8.418 3.372 48 HD22 LEU 6 2HD2 LEU 6 -6.948 8.055 4.524 49 HD23 LEU 6 3HD2 LEU 6 -8.276 6.918 4.297 50 H LYS 7 H LYS 7 -7.300 5.292 0.248 51 HA LYS 7 HA LYS 7 -5.379 3.434 1.370 52 HB2 LYS 7 2HB LYS 7 -7.298 2.422 1.974 53 HB3 LYS 7 1HB LYS 7 -8.250 3.391 0.865 54 HG2 LYS 7 2HG LYS 7 -6.621 1.014 -0.055 55 HG3 LYS 7 1HG LYS 7 -8.289 0.868 0.483 56 HD2 LYS 7 2HD LYS 7 -8.049 3.061 -1.393 57 HD3 LYS 7 1HD LYS 7 -7.389 1.589 -2.103 58 HE2 LYS 7 2HE LYS 7 -10.092 1.695 -0.740 59 HE3 LYS 7 1HE LYS 7 -9.876 1.928 -2.475 60 HZ1 LYS 7 1HZ LYS 7 -8.600 -0.269 -2.361 61 HZ2 LYS 7 2HZ LYS 7 -10.296 -0.327 -2.266 62 HZ3 LYS 7 3HZ LYS 7 -9.356 -0.486 -0.858 63 H GLY 8 H GLY 8 -6.457 4.410 -1.793 64 HA2 GLY 8 2HA GLY 8 -5.537 2.223 -3.313 65 HA3 GLY 8 1HA GLY 8 -5.709 3.874 -3.903 66 H ALA 9 H ALA 9 -3.906 5.258 -2.400 67 HA ALA 9 HA ALA 9 -1.442 4.599 -3.648 68 HB1 ALA 9 1HB ALA 9 -1.771 6.497 -1.329 69 HB2 ALA 9 2HB ALA 9 -2.275 6.917 -2.965 70 HB3 ALA 9 3HB ALA 9 -0.581 6.559 -2.630 71 H ALA 10 H ALA 10 -2.693 4.261 -0.357 72 HA ALA 10 HA ALA 10 -0.307 3.423 0.880 73 HB1 ALA 10 1HB ALA 10 -3.138 2.635 1.597 74 HB2 ALA 10 2HB ALA 10 -2.353 4.132 2.099 75 HB3 ALA 10 3HB ALA 10 -1.732 2.580 2.660 76 H LYS 11 H LYS 11 -2.800 1.646 -0.884 77 HA LYS 11 HA LYS 11 -2.139 -0.960 -0.246 78 HB2 LYS 11 2HB LYS 11 -3.402 0.423 -2.540 79 HB3 LYS 11 1HB LYS 11 -2.802 -1.197 -2.858 80 HG2 LYS 11 2HG LYS 11 -4.098 -2.077 -0.966 81 HG3 LYS 11 1HG LYS 11 -4.660 -0.449 -0.584 82 HD2 LYS 11 2HD LYS 11 -6.452 -1.093 -1.871 83 HD3 LYS 11 1HD LYS 11 -5.403 -0.562 -3.183 84 HE2 LYS 11 2HE LYS 11 -5.688 -3.403 -2.158 85 HE3 LYS 11 1HE LYS 11 -6.301 -2.782 -3.690 86 HZ1 LYS 11 1HZ LYS 11 -4.210 -3.930 -4.001 87 HZ2 LYS 11 2HZ LYS 11 -3.447 -2.908 -2.878 88 HZ3 LYS 11 3HZ LYS 11 -4.025 -2.280 -4.346 89 H ASP 12 H ASP 12 -0.532 1.299 -2.356 90 HA ASP 12 HA ASP 12 1.168 -0.559 -3.680 91 HB2 ASP 12 2HB ASP 12 0.733 1.728 -4.522 92 HB3 ASP 12 1HB ASP 12 1.619 2.386 -3.147 93 H ILE 13 H ILE 13 1.766 1.676 -0.962 94 HA ILE 13 HA ILE 13 4.386 0.800 -0.414 95 HB ILE 13 HB ILE 13 2.438 1.890 1.622 96 HG12 ILE 13 2HG1 ILE 13 4.123 3.375 -0.422 97 HG13 ILE 13 1HG1 ILE 13 2.357 3.287 -0.406 98 HG21 ILE 13 1HG2 ILE 13 5.423 2.299 1.319 99 HG22 ILE 13 2HG2 ILE 13 4.721 1.031 2.324 100 HG23 ILE 13 3HG2 ILE 13 4.415 2.727 2.702 101 HD11 ILE 13 1HD1 ILE 13 2.458 4.289 1.936 102 HD12 ILE 13 2HD1 ILE 13 2.926 5.372 0.625 103 HD13 ILE 13 3HD1 ILE 13 4.164 4.614 1.627 104 H ALA 14 H ALA 14 1.235 -0.341 0.679 105 HA ALA 14 HA ALA 14 2.064 -2.034 2.754 106 HB1 ALA 14 1HB ALA 14 -0.071 -3.040 2.602 107 HB2 ALA 14 2HB ALA 14 -0.209 -2.679 0.881 108 HB3 ALA 14 3HB ALA 14 -0.321 -1.379 2.067 109 H GLY 15 H GLY 15 1.683 -2.671 -0.723 110 HA2 GLY 15 2HA GLY 15 2.382 -5.415 -0.625 111 HA3 GLY 15 1HA GLY 15 2.441 -4.389 -2.055 112 H HIS 16 H HIS 16 4.253 -2.538 -0.392 113 HA HIS 16 HA HIS 16 6.723 -3.561 -1.378 114 HB2 HIS 16 2HB HIS 16 5.923 -1.094 -0.901 115 HB3 HIS 16 1HB HIS 16 6.617 -1.420 0.681 116 HD2 HIS 16 2HD HIS 16 8.864 0.274 0.132 117 HE1 HIS 16 1HE HIS 16 10.463 -2.168 -2.919 118 HE2 HIS 16 2HE HIS 16 10.918 -0.171 -1.418 119 H LEU 17 H LEU 17 5.216 -3.379 1.809 120 HA LEU 17 HA LEU 17 7.331 -4.136 3.423 121 HB2 LEU 17 2HB LEU 17 5.005 -3.472 4.154 122 HB3 LEU 17 1HB LEU 17 4.523 -5.122 3.776 123 HG LEU 17 HG LEU 17 6.589 -5.762 5.297 124 HD11 LEU 17 1HD1 LEU 17 5.833 -2.986 6.264 125 HD12 LEU 17 2HD1 LEU 17 7.401 -3.475 5.621 126 HD13 LEU 17 3HD1 LEU 17 6.838 -4.125 7.161 127 HD21 LEU 17 1HD2 LEU 17 5.031 -5.645 7.302 128 HD22 LEU 17 2HD2 LEU 17 4.353 -6.431 5.876 129 HD23 LEU 17 3HD2 LEU 17 3.896 -4.773 6.273 130 H ALA 18 H ALA 18 5.269 -6.134 1.380 131 HA ALA 18 HA ALA 18 6.253 -8.630 2.347 132 HB1 ALA 18 1HB ALA 18 4.061 -8.209 1.104 133 HB2 ALA 18 2HB ALA 18 4.991 -9.621 0.602 134 HB3 ALA 18 3HB ALA 18 5.033 -8.150 -0.367 135 H SER 19 H SER 19 7.212 -6.389 -0.175 136 HA SER 19 HA SER 19 8.878 -8.034 -1.695 137 HB2 SER 19 2HB SER 19 9.203 -6.104 -2.798 138 HB3 SER 19 1HB SER 19 8.300 -5.275 -1.536 139 HG SER 19 HG SER 19 10.824 -4.990 -2.107 140 H LYS 20 H LYS 20 9.787 -5.928 1.061 141 HA LYS 20 HA LYS 20 12.462 -6.600 1.239 142 HB2 LYS 20 2HB LYS 20 11.000 -6.370 3.806 143 HB3 LYS 20 1HB LYS 20 12.412 -5.482 3.233 144 HG2 LYS 20 2HG LYS 20 9.618 -5.050 2.135 145 HG3 LYS 20 1HG LYS 20 10.289 -4.115 3.451 146 HD2 LYS 20 2HD LYS 20 11.985 -3.182 2.115 147 HD3 LYS 20 1HD LYS 20 11.790 -4.423 0.880 148 HE2 LYS 20 2HE LYS 20 10.790 -2.043 0.446 149 HE3 LYS 20 1HE LYS 20 9.825 -3.459 0.035 150 HZ1 LYS 20 1HZ LYS 20 8.446 -3.157 1.808 151 HZ2 LYS 20 2HZ LYS 20 8.836 -1.538 1.474 152 HZ3 LYS 20 3HZ LYS 20 9.615 -2.358 2.742 153 H VAL 21 H VAL 21 9.655 -8.302 2.568 154 HA VAL 21 HA VAL 21 11.096 -10.274 3.989 155 HB VAL 21 HB VAL 21 8.315 -10.369 2.800 156 HG11 VAL 21 1HG1 VAL 21 8.024 -12.128 4.632 157 HG12 VAL 21 2HG1 VAL 21 9.783 -12.167 4.741 158 HG13 VAL 21 3HG1 VAL 21 8.982 -12.623 3.237 159 HG21 VAL 21 1HG2 VAL 21 7.564 -9.656 4.963 160 HG22 VAL 21 2HG2 VAL 21 8.876 -8.564 4.519 161 HG23 VAL 21 3HG2 VAL 21 9.167 -9.873 5.663 162 H MET 22 H MET 22 9.630 -10.295 0.745 163 HA MET 22 HA MET 22 10.426 -12.923 0.076 164 HB2 MET 22 2HB MET 22 9.768 -10.544 -1.670 165 HB3 MET 22 1HB MET 22 10.003 -12.183 -2.277 166 HG2 MET 22 2HG MET 22 8.121 -13.009 -1.060 167 HG3 MET 22 1HG MET 22 8.006 -11.533 -0.100 168 HE1 MET 22 1HE MET 22 5.944 -13.259 -1.907 169 HE2 MET 22 2HE MET 22 4.909 -12.041 -2.649 170 HE3 MET 22 3HE MET 22 5.305 -11.925 -0.936 171 H ASN 23 H ASN 23 11.937 -9.764 -0.453 172 HA ASN 23 HA ASN 23 14.007 -10.325 -2.129 173 HB2 ASN 23 2HB ASN 23 13.896 -8.622 0.349 174 HB3 ASN 23 1HB ASN 23 15.368 -8.726 -0.615 175 HD21 ASN 23 1HD2 ASN 23 12.060 -8.853 -1.954 176 HD22 ASN 23 2HD2 ASN 23 12.180 -7.392 -2.810 177 HN1 NH2 24 HN1 NH2 24 14.456 -10.613 1.448 178 HN2 NH2 24 HN2 NH2 24 15.571 -11.887 1.341
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