NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
612706 | 5x3l | 36057 | 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 HT1 GLY 1 -15.212 -1.625 1.994 2 H2 GLY 1 HT2 GLY 1 -15.629 -2.989 1.084 3 H3 GLY 1 HT3 GLY 1 -16.020 -1.444 0.518 4 HA2 GLY 1 HA1 GLY 1 -13.341 -1.270 0.871 5 HA3 GLY 1 HA2 GLY 1 -13.559 -2.917 0.298 6 H LEU 2 HN LEU 2 -12.368 -2.222 -1.596 7 HA LEU 2 HA LEU 2 -12.259 -1.659 -3.797 8 HB2 LEU 2 HB2 LEU 2 -15.259 -1.391 -3.557 9 HB3 LEU 2 HB1 LEU 2 -14.360 -1.438 -5.060 10 HG LEU 2 HG LEU 2 -15.334 -3.591 -4.723 11 HD11 LEU 2 1HD1 LEU 2 -13.479 -4.928 -5.035 12 HD12 LEU 2 2HD1 LEU 2 -12.516 -4.052 -3.846 13 HD13 LEU 2 3HD1 LEU 2 -12.848 -3.327 -5.418 14 HD21 LEU 2 1HD2 LEU 2 -15.502 -3.200 -2.182 15 HD22 LEU 2 2HD2 LEU 2 -13.894 -3.922 -2.117 16 HD23 LEU 2 3HD2 LEU 2 -15.249 -4.844 -2.766 17 H GLY 3 HN GLY 3 -11.125 0.248 -3.112 18 HA2 GLY 3 HA2 GLY 3 -10.928 2.504 -3.951 19 HA3 GLY 3 HA1 GLY 3 -12.658 2.697 -3.698 20 H SER 4 HN SER 4 -12.729 1.513 -1.095 21 HA SER 4 HA SER 4 -11.826 3.792 0.451 22 HB2 SER 4 HB2 SER 4 -13.042 1.394 1.752 23 HB3 SER 4 HB1 SER 4 -13.307 3.106 2.082 24 HG SER 4 HG SER 4 -14.390 3.121 -0.041 25 H VAL 5 HN VAL 5 -11.094 0.433 -0.018 26 HA VAL 5 HA VAL 5 -9.191 0.216 2.128 27 HB VAL 5 HB VAL 5 -9.392 -1.555 -0.264 28 HG11 VAL 5 1HG1 VAL 5 -7.537 -1.749 1.493 29 HG12 VAL 5 2HG1 VAL 5 -8.410 -3.219 1.063 30 HG13 VAL 5 3HG1 VAL 5 -8.794 -2.373 2.562 31 HG21 VAL 5 1HG2 VAL 5 -11.510 -2.025 0.253 32 HG22 VAL 5 2HG2 VAL 5 -11.423 -1.083 1.741 33 HG23 VAL 5 3HG2 VAL 5 -10.903 -2.768 1.732 34 H PHE 6 HN PHE 6 -9.182 0.973 -1.277 35 HA PHE 6 HA PHE 6 -6.656 0.509 -2.127 36 HB2 PHE 6 HB2 PHE 6 -7.226 1.831 -3.861 37 HB3 PHE 6 HB1 PHE 6 -8.773 1.999 -3.042 38 HD1 PHE 6 HD1 PHE 6 -6.356 3.773 -4.677 39 HD2 PHE 6 HD2 PHE 6 -8.598 3.893 -1.062 40 HE1 PHE 6 HE1 PHE 6 -6.010 6.206 -4.548 41 HE2 PHE 6 HE2 PHE 6 -8.257 6.326 -0.927 42 HZ PHE 6 HZ PHE 6 -6.962 7.485 -2.671 43 H GLY 7 HN GLY 7 -7.623 2.722 0.332 44 HA2 GLY 7 HA2 GLY 7 -5.324 4.392 0.362 45 HA3 GLY 7 HA1 GLY 7 -6.435 4.144 1.703 46 H ARG 8 HN ARG 8 -6.114 1.344 1.934 47 HA ARG 8 HA ARG 8 -3.652 1.275 3.433 48 HB2 ARG 8 HB2 ARG 8 -6.075 -0.412 3.192 49 HB3 ARG 8 HB1 ARG 8 -4.589 -1.255 3.610 50 HG2 ARG 8 HG2 ARG 8 -5.124 -0.735 5.712 51 HG3 ARG 8 HG1 ARG 8 -4.507 0.869 5.310 52 HD2 ARG 8 HD2 ARG 8 -7.320 0.329 4.592 53 HD3 ARG 8 HD1 ARG 8 -6.962 0.427 6.315 54 HE ARG 8 HE ARG 8 -5.771 2.615 5.049 55 HH11 ARG 8 1HH1 ARG 8 -8.960 1.385 5.749 56 HH12 ARG 8 2HH1 ARG 8 -9.690 2.954 5.805 57 HH21 ARG 8 1HH2 ARG 8 -6.727 4.680 5.123 58 HH22 ARG 8 2HH2 ARG 8 -8.422 4.825 5.449 59 H LEU 9 HN LEU 9 -5.048 -0.602 0.731 60 HA LEU 9 HA LEU 9 -2.905 -2.271 0.215 61 HB2 LEU 9 HB2 LEU 9 -5.077 -1.112 -1.463 62 HB3 LEU 9 HB1 LEU 9 -3.760 -1.936 -2.275 63 HG LEU 9 HG LEU 9 -4.346 -3.820 -0.475 64 HD11 LEU 9 1HD1 LEU 9 -6.687 -2.024 -0.556 65 HD12 LEU 9 2HD1 LEU 9 -6.131 -3.115 0.714 66 HD13 LEU 9 3HD1 LEU 9 -7.016 -3.753 -0.672 67 HD21 LEU 9 1HD2 LEU 9 -4.467 -3.668 -3.116 68 HD22 LEU 9 2HD2 LEU 9 -6.200 -3.688 -2.791 69 HD23 LEU 9 3HD2 LEU 9 -5.182 -5.013 -2.228 70 H ALA 10 HN ALA 10 -3.404 1.061 -0.786 71 HA ALA 10 HA ALA 10 -1.423 1.421 -2.659 72 HB1 ALA 10 HB1 ALA 10 -2.300 3.357 -0.525 73 HB2 ALA 10 HB2 ALA 10 -3.040 3.137 -2.110 74 HB3 ALA 10 HB3 ALA 10 -1.402 3.777 -1.983 75 H ARG 11 HN ARG 11 -1.017 0.799 0.705 76 HA ARG 11 HA ARG 11 1.677 1.821 0.773 77 HB2 ARG 11 HB2 ARG 11 1.633 1.523 3.078 78 HB3 ARG 11 HB1 ARG 11 -0.031 1.936 2.699 79 HG2 ARG 11 HG2 ARG 11 -0.230 -0.719 2.565 80 HG3 ARG 11 HG1 ARG 11 1.121 -0.600 3.690 81 HD2 ARG 11 HD2 ARG 11 -1.632 0.582 3.983 82 HD3 ARG 11 HD1 ARG 11 -0.892 -0.678 4.969 83 HE ARG 11 HE ARG 11 0.544 1.815 4.988 84 HH11 ARG 11 1HH1 ARG 11 -2.024 -0.027 6.469 85 HH12 ARG 11 2HH1 ARG 11 -1.950 0.838 7.966 86 HH21 ARG 11 1HH2 ARG 11 0.642 2.955 6.956 87 HH22 ARG 11 2HH2 ARG 11 -0.437 2.532 8.244 88 H ILE 12 HN ILE 12 0.048 -1.354 0.836 89 HA ILE 12 HA ILE 12 2.290 -2.910 1.351 90 HB ILE 12 HB ILE 12 1.208 -4.746 0.158 91 HG12 ILE 12 2HG1 ILE 12 -1.244 -3.163 -0.365 92 HG13 ILE 12 1HG1 ILE 12 0.096 -2.913 -1.475 93 HG21 ILE 12 1HG2 ILE 12 -0.581 -5.023 1.673 94 HG22 ILE 12 2HG2 ILE 12 -0.834 -3.283 1.807 95 HG23 ILE 12 3HG2 ILE 12 0.609 -4.021 2.503 96 HD11 ILE 12 1HD1 ILE 12 -1.799 -4.860 -1.684 97 HD12 ILE 12 2HD1 ILE 12 -0.452 -5.721 -0.939 98 HD13 ILE 12 3HD1 ILE 12 -0.220 -4.878 -2.470 99 H LEU 13 HN LEU 13 1.239 -1.419 -1.632 100 HA LEU 13 HA LEU 13 3.113 -2.736 -3.322 101 HB2 LEU 13 HB2 LEU 13 2.783 -0.379 -4.600 102 HB3 LEU 13 HB1 LEU 13 1.675 -1.727 -4.740 103 HG LEU 13 HG LEU 13 1.093 0.118 -2.522 104 HD11 LEU 13 1HD1 LEU 13 -0.105 1.539 -4.444 105 HD12 LEU 13 2HD1 LEU 13 1.350 1.056 -5.315 106 HD13 LEU 13 3HD1 LEU 13 1.485 1.946 -3.799 107 HD21 LEU 13 1HD2 LEU 13 -1.166 -0.278 -3.227 108 HD22 LEU 13 2HD2 LEU 13 -0.310 -1.817 -3.257 109 HD23 LEU 13 3HD2 LEU 13 -0.623 -0.952 -4.761 110 H GLY 14 HN GLY 14 3.201 -0.116 -1.082 111 HA2 GLY 14 HA2 GLY 14 5.877 0.701 -1.962 112 HA3 GLY 14 HA1 GLY 14 4.894 1.499 -0.740 113 H ARG 15 HN ARG 15 4.370 -1.385 0.296 114 HA ARG 15 HA ARG 15 6.742 -1.462 2.036 115 HB2 ARG 15 HB2 ARG 15 3.907 -2.387 2.352 116 HB3 ARG 15 HB1 ARG 15 5.177 -3.090 3.345 117 HG2 ARG 15 HG2 ARG 15 4.366 -1.385 4.673 118 HG3 ARG 15 HG1 ARG 15 5.775 -0.644 3.909 119 HD2 ARG 15 HD2 ARG 15 4.360 0.443 2.277 120 HD3 ARG 15 HD1 ARG 15 2.938 -0.371 2.928 121 HE ARG 15 HE ARG 15 2.855 1.184 4.607 122 HH11 ARG 15 1HH1 ARG 15 5.986 1.352 3.073 123 HH12 ARG 15 2HH1 ARG 15 6.466 2.781 3.925 124 HH21 ARG 15 1HH2 ARG 15 3.484 3.065 5.727 125 HH22 ARG 15 2HH2 ARG 15 5.045 3.754 5.432 126 H VAL 16 HN VAL 16 6.650 -2.530 -0.685 127 HA VAL 16 HA VAL 16 7.085 -5.395 -0.126 128 HB VAL 16 HB VAL 16 5.299 -5.102 -1.776 129 HG11 VAL 16 1HG1 VAL 16 5.530 -3.937 -3.803 130 HG12 VAL 16 2HG1 VAL 16 7.276 -3.777 -3.607 131 HG13 VAL 16 3HG1 VAL 16 6.185 -2.862 -2.569 132 HG21 VAL 16 1HG2 VAL 16 7.631 -5.984 -3.415 133 HG22 VAL 16 2HG2 VAL 16 6.030 -6.705 -3.254 134 HG23 VAL 16 3HG2 VAL 16 7.209 -6.878 -1.954 135 H ILE 17 HN ILE 17 8.060 -2.626 -2.032 136 HA ILE 17 HA ILE 17 10.814 -3.162 -1.428 137 HB ILE 17 HB ILE 17 9.923 -2.935 -4.316 138 HG12 ILE 17 2HG1 ILE 17 9.503 -5.179 -3.347 139 HG13 ILE 17 1HG1 ILE 17 10.733 -5.208 -4.606 140 HG21 ILE 17 1HG2 ILE 17 11.956 -1.959 -4.449 141 HG22 ILE 17 2HG2 ILE 17 12.512 -3.632 -4.445 142 HG23 ILE 17 3HG2 ILE 17 12.528 -2.694 -2.951 143 HD11 ILE 17 1HD1 ILE 17 10.954 -6.356 -2.146 144 HD12 ILE 17 2HD1 ILE 17 11.816 -4.833 -1.927 145 HD13 ILE 17 3HD1 ILE 17 12.301 -5.945 -3.207 146 HA PRO 18 HA PRO 18 9.678 1.193 -1.521 147 HB2 PRO 18 HB2 PRO 18 10.404 1.432 1.214 148 HB3 PRO 18 HB1 PRO 18 8.767 1.355 0.561 149 HG2 PRO 18 HG2 PRO 18 9.947 -0.586 2.163 150 HG3 PRO 18 HG1 PRO 18 8.542 -0.850 1.117 151 HD2 PRO 18 HD2 PRO 18 11.399 -1.343 0.556 152 HD3 PRO 18 HD1 PRO 18 10.042 -2.408 0.215 153 H LYS 19 HN LYS 19 11.092 2.966 -0.475 154 HA LYS 19 HA LYS 19 13.643 2.868 -1.657 155 HB2 LYS 19 HB2 LYS 19 13.992 5.075 -0.768 156 HB3 LYS 19 HB1 LYS 19 12.326 4.954 -1.313 157 HG2 LYS 19 HG2 LYS 19 11.663 5.663 0.673 158 HG3 LYS 19 HG1 LYS 19 12.322 4.191 1.390 159 HD2 LYS 19 HD2 LYS 19 14.558 5.751 1.026 160 HD3 LYS 19 HD1 LYS 19 13.326 6.932 1.472 161 HE2 LYS 19 HE2 LYS 19 13.145 6.141 3.580 162 HE3 LYS 19 HE1 LYS 19 13.374 4.466 3.082 163 HZ1 LYS 19 HZ1 LYS 19 15.773 5.044 2.760 164 HZ2 LYS 19 HZ2 LYS 19 15.244 5.069 4.366 165 HZ3 LYS 19 HZ3 LYS 19 15.463 6.521 3.525 166 H VAL 20 HN VAL 20 12.500 2.194 1.564 167 HA VAL 20 HA VAL 20 13.513 1.303 3.397 168 HB VAL 20 HB VAL 20 15.864 0.715 1.597 169 HG11 VAL 20 1HG1 VAL 20 16.617 0.190 3.691 170 HG12 VAL 20 2HG1 VAL 20 15.830 -1.329 3.263 171 HG13 VAL 20 3HG1 VAL 20 15.002 -0.169 4.303 172 HG21 VAL 20 1HG2 VAL 20 14.334 -0.435 0.398 173 HG22 VAL 20 2HG2 VAL 20 13.169 -0.476 1.722 174 HG23 VAL 20 3HG2 VAL 20 14.515 -1.615 1.697 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -15.458 -0.944 1.851 2 H2 GLY 1 HT2 GLY 1 -15.213 -2.575 2.226 3 H3 GLY 1 HT3 GLY 1 -16.077 -2.148 0.836 4 HA2 GLY 1 HA1 GLY 1 -13.311 -1.210 1.145 5 HA3 GLY 1 HA2 GLY 1 -13.598 -2.873 0.658 6 H LEU 2 HN LEU 2 -12.533 -2.330 -1.345 7 HA LEU 2 HA LEU 2 -12.539 -1.844 -3.568 8 HB2 LEU 2 HB2 LEU 2 -15.463 -1.862 -2.938 9 HB3 LEU 2 HB1 LEU 2 -14.931 -1.307 -4.513 10 HG LEU 2 HG LEU 2 -15.607 -3.699 -4.462 11 HD11 LEU 2 1HD1 LEU 2 -14.289 -3.385 -6.280 12 HD12 LEU 2 2HD1 LEU 2 -13.227 -4.467 -5.380 13 HD13 LEU 2 3HD1 LEU 2 -12.953 -2.726 -5.337 14 HD21 LEU 2 1HD2 LEU 2 -14.338 -3.845 -2.096 15 HD22 LEU 2 2HD2 LEU 2 -13.081 -4.482 -3.157 16 HD23 LEU 2 3HD2 LEU 2 -14.670 -5.247 -3.113 17 H GLY 3 HN GLY 3 -11.316 0.040 -3.197 18 HA2 GLY 3 HA2 GLY 3 -11.091 2.260 -4.033 19 HA3 GLY 3 HA1 GLY 3 -12.811 2.504 -3.760 20 H SER 4 HN SER 4 -12.787 1.360 -1.103 21 HA SER 4 HA SER 4 -11.882 3.699 0.351 22 HB2 SER 4 HB2 SER 4 -12.973 1.345 1.805 23 HB3 SER 4 HB1 SER 4 -13.335 3.059 2.006 24 HG SER 4 HG SER 4 -14.429 2.821 -0.118 25 H VAL 5 HN VAL 5 -11.161 0.312 0.018 26 HA VAL 5 HA VAL 5 -9.164 0.190 2.072 27 HB VAL 5 HB VAL 5 -9.392 -1.653 -0.260 28 HG11 VAL 5 1HG1 VAL 5 -7.495 -1.869 1.347 29 HG12 VAL 5 2HG1 VAL 5 -8.501 -3.312 1.226 30 HG13 VAL 5 3HG1 VAL 5 -8.673 -2.231 2.609 31 HG21 VAL 5 1HG2 VAL 5 -11.570 -1.881 0.316 32 HG22 VAL 5 2HG2 VAL 5 -11.312 -1.275 1.952 33 HG23 VAL 5 3HG2 VAL 5 -10.895 -2.942 1.552 34 H PHE 6 HN PHE 6 -9.297 0.852 -1.346 35 HA PHE 6 HA PHE 6 -6.805 0.406 -2.295 36 HB2 PHE 6 HB2 PHE 6 -7.483 1.676 -4.025 37 HB3 PHE 6 HB1 PHE 6 -8.981 1.879 -3.123 38 HD1 PHE 6 HD1 PHE 6 -6.574 3.584 -4.892 39 HD2 PHE 6 HD2 PHE 6 -8.746 3.820 -1.241 40 HE1 PHE 6 HE1 PHE 6 -6.199 6.014 -4.831 41 HE2 PHE 6 HE2 PHE 6 -8.379 6.252 -1.174 42 HZ PHE 6 HZ PHE 6 -7.103 7.352 -2.971 43 H GLY 7 HN GLY 7 -7.690 2.664 0.160 44 HA2 GLY 7 HA2 GLY 7 -5.364 4.315 0.054 45 HA3 GLY 7 HA1 GLY 7 -6.463 4.160 1.419 46 H ARG 8 HN ARG 8 -6.239 1.423 1.882 47 HA ARG 8 HA ARG 8 -3.826 1.330 3.394 48 HB2 ARG 8 HB2 ARG 8 -6.184 -0.416 2.986 49 HB3 ARG 8 HB1 ARG 8 -4.702 -1.227 3.473 50 HG2 ARG 8 HG2 ARG 8 -5.222 -0.721 5.565 51 HG3 ARG 8 HG1 ARG 8 -4.881 0.965 5.168 52 HD2 ARG 8 HD2 ARG 8 -7.384 0.778 4.221 53 HD3 ARG 8 HD1 ARG 8 -7.467 -0.426 5.506 54 HE ARG 8 HE ARG 8 -6.328 2.081 6.334 55 HH11 ARG 8 1HH1 ARG 8 -9.288 0.285 5.897 56 HH12 ARG 8 2HH1 ARG 8 -10.174 1.221 7.054 57 HH21 ARG 8 1HH2 ARG 8 -7.491 3.312 7.857 58 HH22 ARG 8 2HH2 ARG 8 -9.154 2.939 8.166 59 H LEU 9 HN LEU 9 -5.031 -0.598 0.629 60 HA LEU 9 HA LEU 9 -2.797 -2.159 0.188 61 HB2 LEU 9 HB2 LEU 9 -4.916 -1.054 -1.599 62 HB3 LEU 9 HB1 LEU 9 -3.538 -1.853 -2.331 63 HG LEU 9 HG LEU 9 -4.218 -3.718 -0.508 64 HD11 LEU 9 1HD1 LEU 9 -6.606 -2.024 -0.951 65 HD12 LEU 9 2HD1 LEU 9 -6.137 -2.984 0.453 66 HD13 LEU 9 3HD1 LEU 9 -6.837 -3.772 -0.961 67 HD21 LEU 9 1HD2 LEU 9 -4.082 -3.608 -3.173 68 HD22 LEU 9 2HD2 LEU 9 -5.829 -3.763 -2.990 69 HD23 LEU 9 3HD2 LEU 9 -4.759 -4.987 -2.307 70 H ALA 10 HN ALA 10 -3.336 1.190 -0.642 71 HA ALA 10 HA ALA 10 -1.372 1.723 -2.484 72 HB1 ALA 10 HB1 ALA 10 -2.183 3.478 -0.174 73 HB2 ALA 10 HB2 ALA 10 -3.015 3.360 -1.725 74 HB3 ALA 10 HB3 ALA 10 -1.376 4.008 -1.650 75 H ARG 11 HN ARG 11 -0.936 0.810 0.805 76 HA ARG 11 HA ARG 11 1.757 1.825 0.951 77 HB2 ARG 11 HB2 ARG 11 1.737 1.240 3.224 78 HB3 ARG 11 HB1 ARG 11 0.105 1.798 2.896 79 HG2 ARG 11 HG2 ARG 11 -0.330 -0.767 2.487 80 HG3 ARG 11 HG1 ARG 11 1.089 -0.934 3.521 81 HD2 ARG 11 HD2 ARG 11 -1.457 0.540 4.184 82 HD3 ARG 11 HD1 ARG 11 -0.936 -1.006 4.852 83 HE ARG 11 HE ARG 11 0.927 1.149 5.273 84 HH11 ARG 11 1HH1 ARG 11 -1.873 -0.517 6.527 85 HH12 ARG 11 2HH1 ARG 11 -1.591 -0.019 8.161 86 HH21 ARG 11 1HH2 ARG 11 1.297 1.803 7.423 87 HH22 ARG 11 2HH2 ARG 11 0.207 1.297 8.670 88 H ILE 12 HN ILE 12 0.122 -1.345 0.770 89 HA ILE 12 HA ILE 12 2.366 -2.942 1.103 90 HB ILE 12 HB ILE 12 1.259 -4.664 -0.223 91 HG12 ILE 12 2HG1 ILE 12 -1.194 -3.031 -0.565 92 HG13 ILE 12 1HG1 ILE 12 0.127 -2.701 -1.677 93 HG21 ILE 12 1HG2 ILE 12 -1.016 -4.453 1.166 94 HG22 ILE 12 2HG2 ILE 12 -0.059 -3.225 1.994 95 HG23 ILE 12 3HG2 ILE 12 0.525 -4.886 1.906 96 HD11 ILE 12 1HD1 ILE 12 -0.403 -4.471 -2.884 97 HD12 ILE 12 2HD1 ILE 12 -1.794 -4.732 -1.831 98 HD13 ILE 12 3HD1 ILE 12 -0.257 -5.522 -1.475 99 H LEU 13 HN LEU 13 1.291 -1.169 -1.711 100 HA LEU 13 HA LEU 13 3.113 -2.363 -3.547 101 HB2 LEU 13 HB2 LEU 13 2.800 0.128 -4.583 102 HB3 LEU 13 HB1 LEU 13 1.706 -1.207 -4.873 103 HG LEU 13 HG LEU 13 1.109 0.426 -2.488 104 HD11 LEU 13 1HD1 LEU 13 -0.148 1.945 -4.306 105 HD12 LEU 13 2HD1 LEU 13 1.329 1.578 -5.197 106 HD13 LEU 13 3HD1 LEU 13 1.422 2.357 -3.618 107 HD21 LEU 13 1HD2 LEU 13 -0.256 -1.485 -3.354 108 HD22 LEU 13 2HD2 LEU 13 -0.619 -0.507 -4.775 109 HD23 LEU 13 3HD2 LEU 13 -1.146 0.026 -3.180 110 H GLY 14 HN GLY 14 3.265 0.097 -1.119 111 HA2 GLY 14 HA2 GLY 14 5.966 0.889 -1.959 112 HA3 GLY 14 HA1 GLY 14 5.004 1.652 -0.698 113 H ARG 15 HN ARG 15 4.404 -1.286 0.157 114 HA ARG 15 HA ARG 15 6.750 -1.517 1.914 115 HB2 ARG 15 HB2 ARG 15 3.884 -2.354 2.148 116 HB3 ARG 15 HB1 ARG 15 5.109 -3.178 3.102 117 HG2 ARG 15 HG2 ARG 15 4.307 -1.512 4.514 118 HG3 ARG 15 HG1 ARG 15 5.812 -0.844 3.877 119 HD2 ARG 15 HD2 ARG 15 4.493 0.376 2.171 120 HD3 ARG 15 HD1 ARG 15 3.017 -0.225 2.925 121 HE ARG 15 HE ARG 15 4.249 0.976 4.985 122 HH11 ARG 15 1HH1 ARG 15 3.586 2.058 1.731 123 HH12 ARG 15 2HH1 ARG 15 3.470 3.727 2.178 124 HH21 ARG 15 1HH2 ARG 15 4.092 3.171 5.571 125 HH22 ARG 15 2HH2 ARG 15 3.756 4.358 4.355 126 H VAL 16 HN VAL 16 6.670 -2.420 -0.867 127 HA VAL 16 HA VAL 16 7.009 -5.326 -0.485 128 HB VAL 16 HB VAL 16 5.263 -4.844 -2.145 129 HG11 VAL 16 1HG1 VAL 16 5.607 -3.592 -4.109 130 HG12 VAL 16 2HG1 VAL 16 7.349 -3.512 -3.846 131 HG13 VAL 16 3HG1 VAL 16 6.257 -2.611 -2.796 132 HG21 VAL 16 1HG2 VAL 16 7.578 -5.749 -3.789 133 HG22 VAL 16 2HG2 VAL 16 5.944 -6.403 -3.685 134 HG23 VAL 16 3HG2 VAL 16 7.096 -6.697 -2.382 135 H ILE 17 HN ILE 17 8.110 -2.468 -2.184 136 HA ILE 17 HA ILE 17 10.830 -3.128 -1.553 137 HB ILE 17 HB ILE 17 10.026 -2.698 -4.444 138 HG12 ILE 17 2HG1 ILE 17 9.525 -4.986 -3.632 139 HG13 ILE 17 1HG1 ILE 17 10.797 -4.970 -4.849 140 HG21 ILE 17 1HG2 ILE 17 12.086 -1.778 -4.476 141 HG22 ILE 17 2HG2 ILE 17 12.606 -3.462 -4.530 142 HG23 ILE 17 3HG2 ILE 17 12.591 -2.593 -2.995 143 HD11 ILE 17 1HD1 ILE 17 10.889 -6.229 -2.409 144 HD12 ILE 17 2HD1 ILE 17 11.847 -4.770 -2.155 145 HD13 ILE 17 3HD1 ILE 17 12.264 -5.884 -3.458 146 HA PRO 18 HA PRO 18 9.827 1.258 -1.392 147 HB2 PRO 18 HB2 PRO 18 10.468 1.285 1.377 148 HB3 PRO 18 HB1 PRO 18 8.853 1.313 0.667 149 HG2 PRO 18 HG2 PRO 18 9.903 -0.773 2.169 150 HG3 PRO 18 HG1 PRO 18 8.535 -0.919 1.052 151 HD2 PRO 18 HD2 PRO 18 11.399 -1.460 0.567 152 HD3 PRO 18 HD1 PRO 18 10.028 -2.462 0.110 153 H LYS 19 HN LYS 19 11.255 2.912 -0.186 154 HA LYS 19 HA LYS 19 13.837 2.827 -1.294 155 HB2 LYS 19 HB2 LYS 19 14.229 4.941 -0.183 156 HB3 LYS 19 HB1 LYS 19 12.604 4.925 -0.854 157 HG2 LYS 19 HG2 LYS 19 11.700 5.294 1.135 158 HG3 LYS 19 HG1 LYS 19 12.596 3.958 1.859 159 HD2 LYS 19 HD2 LYS 19 14.272 6.276 1.303 160 HD3 LYS 19 HD1 LYS 19 12.946 6.639 2.409 161 HE2 LYS 19 HE2 LYS 19 14.336 5.854 3.986 162 HE3 LYS 19 HE1 LYS 19 13.830 4.270 3.400 163 HZ1 LYS 19 HZ1 LYS 19 16.218 5.751 2.437 164 HZ2 LYS 19 HZ2 LYS 19 15.753 4.191 1.976 165 HZ3 LYS 19 HZ3 LYS 19 16.251 4.489 3.564 166 H VAL 20 HN VAL 20 12.586 1.865 1.799 167 HA VAL 20 HA VAL 20 13.534 0.844 3.599 168 HB VAL 20 HB VAL 20 15.916 0.318 1.823 169 HG11 VAL 20 1HG1 VAL 20 16.548 -0.383 3.917 170 HG12 VAL 20 2HG1 VAL 20 15.786 -1.847 3.295 171 HG13 VAL 20 3HG1 VAL 20 14.901 -0.792 4.397 172 HG21 VAL 20 1HG2 VAL 20 14.400 -0.673 0.477 173 HG22 VAL 20 2HG2 VAL 20 13.178 -0.770 1.745 174 HG23 VAL 20 3HG2 VAL 20 14.479 -1.960 1.681 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -15.586 -0.770 1.263 2 H2 GLY 1 HT2 GLY 1 -15.361 -2.299 1.949 3 H3 GLY 1 HT3 GLY 1 -16.166 -2.147 0.470 4 HA2 GLY 1 HA1 GLY 1 -13.359 -1.287 0.828 5 HA3 GLY 1 HA2 GLY 1 -13.776 -2.934 0.378 6 H LEU 2 HN LEU 2 -12.384 -2.248 -1.505 7 HA LEU 2 HA LEU 2 -12.243 -1.870 -3.747 8 HB2 LEU 2 HB2 LEU 2 -15.154 -1.234 -3.946 9 HB3 LEU 2 HB1 LEU 2 -14.124 -2.089 -5.077 10 HG LEU 2 HG LEU 2 -15.282 -3.166 -2.508 11 HD11 LEU 2 1HD1 LEU 2 -16.784 -4.274 -3.758 12 HD12 LEU 2 2HD1 LEU 2 -15.650 -4.540 -5.081 13 HD13 LEU 2 3HD1 LEU 2 -16.468 -2.986 -4.920 14 HD21 LEU 2 1HD2 LEU 2 -13.321 -4.306 -2.458 15 HD22 LEU 2 2HD2 LEU 2 -13.029 -4.101 -4.185 16 HD23 LEU 2 3HD2 LEU 2 -14.176 -5.317 -3.623 17 H GLY 3 HN GLY 3 -11.078 0.047 -3.109 18 HA2 GLY 3 HA2 GLY 3 -10.784 2.240 -4.075 19 HA3 GLY 3 HA1 GLY 3 -12.516 2.495 -3.905 20 H SER 4 HN SER 4 -12.686 1.441 -1.233 21 HA SER 4 HA SER 4 -11.814 3.796 0.213 22 HB2 SER 4 HB2 SER 4 -13.026 1.556 1.719 23 HB3 SER 4 HB1 SER 4 -13.432 3.272 1.730 24 HG SER 4 HG SER 4 -14.336 2.805 -0.452 25 H VAL 5 HN VAL 5 -11.090 0.412 -0.049 26 HA VAL 5 HA VAL 5 -9.257 0.289 2.160 27 HB VAL 5 HB VAL 5 -9.362 -1.570 -0.170 28 HG11 VAL 5 1HG1 VAL 5 -7.637 -1.605 1.823 29 HG12 VAL 5 2HG1 VAL 5 -8.284 -3.101 1.149 30 HG13 VAL 5 3HG1 VAL 5 -8.953 -2.445 2.643 31 HG21 VAL 5 1HG2 VAL 5 -11.434 -1.081 1.828 32 HG22 VAL 5 2HG2 VAL 5 -10.947 -2.773 1.718 33 HG23 VAL 5 3HG2 VAL 5 -11.529 -1.928 0.284 34 H PHE 6 HN PHE 6 -9.136 0.902 -1.272 35 HA PHE 6 HA PHE 6 -6.583 0.422 -2.023 36 HB2 PHE 6 HB2 PHE 6 -7.117 1.659 -3.826 37 HB3 PHE 6 HB1 PHE 6 -8.679 1.884 -3.050 38 HD1 PHE 6 HD1 PHE 6 -8.554 3.863 -1.176 39 HD2 PHE 6 HD2 PHE 6 -6.170 3.546 -4.686 40 HE1 PHE 6 HE1 PHE 6 -8.181 6.296 -1.138 41 HE2 PHE 6 HE2 PHE 6 -5.792 5.977 -4.654 42 HZ PHE 6 HZ PHE 6 -6.798 7.355 -2.878 43 H GLY 7 HN GLY 7 -7.627 2.730 0.320 44 HA2 GLY 7 HA2 GLY 7 -5.356 4.425 0.358 45 HA3 GLY 7 HA1 GLY 7 -6.475 4.178 1.694 46 H ARG 8 HN ARG 8 -6.121 1.416 2.026 47 HA ARG 8 HA ARG 8 -3.662 1.407 3.525 48 HB2 ARG 8 HB2 ARG 8 -6.029 -0.382 3.266 49 HB3 ARG 8 HB1 ARG 8 -4.527 -1.099 3.832 50 HG2 ARG 8 HG2 ARG 8 -6.042 -0.351 5.646 51 HG3 ARG 8 HG1 ARG 8 -4.441 0.388 5.701 52 HD2 ARG 8 HD2 ARG 8 -6.046 2.101 6.128 53 HD3 ARG 8 HD1 ARG 8 -5.398 2.361 4.508 54 HE ARG 8 HE ARG 8 -7.604 0.904 4.022 55 HH11 ARG 8 1HH1 ARG 8 -7.066 3.781 5.925 56 HH12 ARG 8 2HH1 ARG 8 -8.664 4.398 5.671 57 HH21 ARG 8 1HH2 ARG 8 -9.702 1.718 3.683 58 HH22 ARG 8 2HH2 ARG 8 -10.161 3.227 4.397 59 H LEU 9 HN LEU 9 -5.026 -0.527 0.848 60 HA LEU 9 HA LEU 9 -2.872 -2.200 0.378 61 HB2 LEU 9 HB2 LEU 9 -5.010 -1.047 -1.350 62 HB3 LEU 9 HB1 LEU 9 -3.678 -1.880 -2.129 63 HG LEU 9 HG LEU 9 -4.364 -3.702 -0.235 64 HD11 LEU 9 1HD1 LEU 9 -6.734 -2.000 -0.771 65 HD12 LEU 9 2HD1 LEU 9 -6.276 -2.882 0.686 66 HD13 LEU 9 3HD1 LEU 9 -6.970 -3.746 -0.686 67 HD21 LEU 9 1HD2 LEU 9 -4.189 -3.674 -2.894 68 HD22 LEU 9 2HD2 LEU 9 -5.942 -3.777 -2.740 69 HD23 LEU 9 3HD2 LEU 9 -4.918 -5.011 -2.005 70 H ALA 10 HN ALA 10 -3.368 1.119 -0.640 71 HA ALA 10 HA ALA 10 -1.377 1.523 -2.479 72 HB1 ALA 10 HB1 ALA 10 -2.971 3.240 -1.908 73 HB2 ALA 10 HB2 ALA 10 -1.332 3.863 -1.716 74 HB3 ALA 10 HB3 ALA 10 -2.271 3.397 -0.297 75 H ARG 11 HN ARG 11 -0.986 0.800 0.865 76 HA ARG 11 HA ARG 11 1.713 1.804 0.970 77 HB2 ARG 11 HB2 ARG 11 1.628 1.520 3.256 78 HB3 ARG 11 HB1 ARG 11 -0.066 1.795 2.888 79 HG2 ARG 11 HG2 ARG 11 -0.046 -0.865 2.727 80 HG3 ARG 11 HG1 ARG 11 1.301 -0.649 3.842 81 HD2 ARG 11 HD2 ARG 11 -1.587 0.025 4.182 82 HD3 ARG 11 HD1 ARG 11 -0.498 -0.821 5.278 83 HE ARG 11 HE ARG 11 0.458 1.759 5.109 84 HH11 ARG 11 1HH1 ARG 11 -2.511 0.213 6.097 85 HH12 ARG 11 2HH1 ARG 11 -2.918 1.443 7.246 86 HH21 ARG 11 1HH2 ARG 11 -0.078 3.383 6.618 87 HH22 ARG 11 2HH2 ARG 11 -1.538 3.242 7.541 88 H ILE 12 HN ILE 12 0.069 -1.370 0.934 89 HA ILE 12 HA ILE 12 2.333 -2.946 1.338 90 HB ILE 12 HB ILE 12 1.211 -4.739 0.113 91 HG12 ILE 12 2HG1 ILE 12 -1.229 -3.079 -0.272 92 HG13 ILE 12 1HG1 ILE 12 0.069 -2.898 -1.445 93 HG21 ILE 12 1HG2 ILE 12 -1.008 -4.557 1.524 94 HG22 ILE 12 2HG2 ILE 12 -0.162 -3.184 2.239 95 HG23 ILE 12 3HG2 ILE 12 0.558 -4.793 2.300 96 HD11 ILE 12 1HD1 ILE 12 -0.695 -4.676 -2.501 97 HD12 ILE 12 2HD1 ILE 12 -1.907 -4.938 -1.246 98 HD13 ILE 12 3HD1 ILE 12 -0.304 -5.657 -1.089 99 H LEU 13 HN LEU 13 1.187 -1.334 -1.534 100 HA LEU 13 HA LEU 13 2.981 -2.588 -3.355 101 HB2 LEU 13 HB2 LEU 13 2.603 -0.157 -4.505 102 HB3 LEU 13 HB1 LEU 13 1.520 -1.520 -4.695 103 HG LEU 13 HG LEU 13 0.951 0.195 -2.371 104 HD11 LEU 13 1HD1 LEU 13 -0.329 1.669 -4.213 105 HD12 LEU 13 2HD1 LEU 13 1.144 1.288 -5.104 106 HD13 LEU 13 3HD1 LEU 13 1.245 2.101 -3.543 107 HD21 LEU 13 1HD2 LEU 13 -0.422 -1.740 -3.194 108 HD22 LEU 13 2HD2 LEU 13 -0.810 -0.775 -4.618 109 HD23 LEU 13 3HD2 LEU 13 -1.310 -0.228 -3.020 110 H GLY 14 HN GLY 14 3.178 -0.053 -1.025 111 HA2 GLY 14 HA2 GLY 14 5.822 0.778 -1.987 112 HA3 GLY 14 HA1 GLY 14 4.897 1.539 -0.697 113 H ARG 15 HN ARG 15 4.383 -1.378 0.239 114 HA ARG 15 HA ARG 15 6.817 -1.547 1.886 115 HB2 ARG 15 HB2 ARG 15 3.987 -2.465 2.270 116 HB3 ARG 15 HB1 ARG 15 5.287 -3.211 3.188 117 HG2 ARG 15 HG2 ARG 15 4.456 -1.536 4.583 118 HG3 ARG 15 HG1 ARG 15 5.925 -0.846 3.891 119 HD2 ARG 15 HD2 ARG 15 4.510 0.270 2.173 120 HD3 ARG 15 HD1 ARG 15 3.085 -0.314 3.030 121 HE ARG 15 HE ARG 15 4.675 1.937 3.708 122 HH11 ARG 15 1HH1 ARG 15 2.809 -0.648 5.132 123 HH12 ARG 15 2HH1 ARG 15 2.459 0.238 6.578 124 HH21 ARG 15 1HH2 ARG 15 4.207 3.100 5.604 125 HH22 ARG 15 2HH2 ARG 15 3.250 2.363 6.845 126 H VAL 16 HN VAL 16 6.628 -2.490 -0.873 127 HA VAL 16 HA VAL 16 7.028 -5.386 -0.472 128 HB VAL 16 HB VAL 16 5.208 -4.918 -2.076 129 HG11 VAL 16 1HG1 VAL 16 5.530 -3.755 -4.114 130 HG12 VAL 16 2HG1 VAL 16 7.269 -3.631 -3.848 131 HG13 VAL 16 3HG1 VAL 16 6.154 -2.719 -2.832 132 HG21 VAL 16 1HG2 VAL 16 7.737 -6.088 -3.211 133 HG22 VAL 16 2HG2 VAL 16 6.173 -6.187 -4.021 134 HG23 VAL 16 3HG2 VAL 16 6.397 -6.937 -2.440 135 H ILE 17 HN ILE 17 8.015 -2.522 -2.223 136 HA ILE 17 HA ILE 17 10.766 -3.139 -1.693 137 HB ILE 17 HB ILE 17 9.846 -2.718 -4.551 138 HG12 ILE 17 2HG1 ILE 17 9.401 -5.016 -3.722 139 HG13 ILE 17 1HG1 ILE 17 10.619 -4.980 -4.994 140 HG21 ILE 17 1HG2 ILE 17 11.891 -1.776 -4.662 141 HG22 ILE 17 2HG2 ILE 17 12.428 -3.454 -4.738 142 HG23 ILE 17 3HG2 ILE 17 12.462 -2.586 -3.203 143 HD11 ILE 17 1HD1 ILE 17 10.830 -6.241 -2.558 144 HD12 ILE 17 2HD1 ILE 17 11.787 -4.775 -2.352 145 HD13 ILE 17 3HD1 ILE 17 12.151 -5.887 -3.671 146 HA PRO 18 HA PRO 18 9.696 1.233 -1.508 147 HB2 PRO 18 HB2 PRO 18 10.421 1.294 1.236 148 HB3 PRO 18 HB1 PRO 18 8.784 1.280 0.579 149 HG2 PRO 18 HG2 PRO 18 9.936 -0.771 2.061 150 HG3 PRO 18 HG1 PRO 18 8.526 -0.952 1.004 151 HD2 PRO 18 HD2 PRO 18 11.376 -1.452 0.409 152 HD3 PRO 18 HD1 PRO 18 10.002 -2.474 0.007 153 H LYS 19 HN LYS 19 11.143 2.915 -0.350 154 HA LYS 19 HA LYS 19 13.718 2.779 -1.515 155 HB2 LYS 19 HB2 LYS 19 14.112 4.964 -0.501 156 HB3 LYS 19 HB1 LYS 19 12.530 4.907 -1.264 157 HG2 LYS 19 HG2 LYS 19 11.537 5.465 0.631 158 HG3 LYS 19 HG1 LYS 19 12.299 4.120 1.479 159 HD2 LYS 19 HD2 LYS 19 14.208 6.227 0.999 160 HD3 LYS 19 HD1 LYS 19 12.787 6.857 1.831 161 HE2 LYS 19 HE2 LYS 19 13.506 5.985 3.740 162 HE3 LYS 19 HE1 LYS 19 13.484 4.373 3.026 163 HZ1 LYS 19 HZ1 LYS 19 15.719 4.690 2.247 164 HZ2 LYS 19 HZ2 LYS 19 15.672 5.005 3.908 165 HZ3 LYS 19 HZ3 LYS 19 15.745 6.287 2.806 166 H VAL 20 HN VAL 20 12.473 2.147 1.681 167 HA VAL 20 HA VAL 20 13.415 1.272 3.559 168 HB VAL 20 HB VAL 20 15.755 0.487 1.824 169 HG11 VAL 20 1HG1 VAL 20 16.348 0.015 4.010 170 HG12 VAL 20 2HG1 VAL 20 15.623 -1.504 3.484 171 HG13 VAL 20 3HG1 VAL 20 14.696 -0.383 4.482 172 HG21 VAL 20 1HG2 VAL 20 14.197 -0.582 0.591 173 HG22 VAL 20 2HG2 VAL 20 12.978 -0.493 1.862 174 HG23 VAL 20 3HG2 VAL 20 14.225 -1.738 1.923 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -15.599 -0.861 1.360 2 H2 GLY 1 HT2 GLY 1 -15.084 -2.249 2.177 3 H3 GLY 1 HT3 GLY 1 -15.977 -2.392 0.748 4 HA2 GLY 1 HA1 GLY 1 -13.282 -1.164 0.925 5 HA3 GLY 1 HA2 GLY 1 -13.576 -2.827 0.443 6 H LEU 2 HN LEU 2 -12.497 -2.264 -1.552 7 HA LEU 2 HA LEU 2 -12.509 -1.806 -3.779 8 HB2 LEU 2 HB2 LEU 2 -15.474 -1.527 -3.284 9 HB3 LEU 2 HB1 LEU 2 -14.745 -1.435 -4.875 10 HG LEU 2 HG LEU 2 -15.730 -3.642 -4.415 11 HD11 LEU 2 1HD1 LEU 2 -13.568 -4.970 -4.850 12 HD12 LEU 2 2HD1 LEU 2 -12.780 -3.393 -4.858 13 HD13 LEU 2 3HD1 LEU 2 -14.057 -3.744 -6.021 14 HD21 LEU 2 1HD2 LEU 2 -15.137 -3.500 -1.928 15 HD22 LEU 2 2HD2 LEU 2 -13.547 -4.091 -2.408 16 HD23 LEU 2 3HD2 LEU 2 -14.981 -5.068 -2.722 17 H GLY 3 HN GLY 3 -11.283 0.089 -3.082 18 HA2 GLY 3 HA2 GLY 3 -11.010 2.298 -4.049 19 HA3 GLY 3 HA1 GLY 3 -12.725 2.571 -3.769 20 H SER 4 HN SER 4 -12.732 1.421 -1.121 21 HA SER 4 HA SER 4 -11.764 3.727 0.345 22 HB2 SER 4 HB2 SER 4 -12.885 1.432 1.842 23 HB3 SER 4 HB1 SER 4 -13.273 3.147 1.955 24 HG SER 4 HG SER 4 -14.339 2.795 -0.165 25 H VAL 5 HN VAL 5 -11.141 0.321 0.004 26 HA VAL 5 HA VAL 5 -9.153 0.123 2.053 27 HB VAL 5 HB VAL 5 -9.391 -1.661 -0.324 28 HG11 VAL 5 1HG1 VAL 5 -7.514 -1.954 1.290 29 HG12 VAL 5 2HG1 VAL 5 -8.550 -3.373 1.135 30 HG13 VAL 5 3HG1 VAL 5 -8.706 -2.316 2.538 31 HG21 VAL 5 1HG2 VAL 5 -11.408 -1.179 1.707 32 HG22 VAL 5 2HG2 VAL 5 -10.915 -2.871 1.647 33 HG23 VAL 5 3HG2 VAL 5 -11.525 -2.078 0.194 34 H PHE 6 HN PHE 6 -9.242 0.867 -1.352 35 HA PHE 6 HA PHE 6 -6.731 0.406 -2.265 36 HB2 PHE 6 HB2 PHE 6 -7.642 1.497 -3.993 37 HB3 PHE 6 HB1 PHE 6 -8.892 2.160 -2.949 38 HD1 PHE 6 HD1 PHE 6 -5.834 2.817 -4.758 39 HD2 PHE 6 HD2 PHE 6 -8.539 4.357 -1.857 40 HE1 PHE 6 HE1 PHE 6 -4.893 5.066 -5.082 41 HE2 PHE 6 HE2 PHE 6 -7.603 6.610 -2.175 42 HZ PHE 6 HZ PHE 6 -5.778 6.967 -3.789 43 H GLY 7 HN GLY 7 -7.669 2.634 0.194 44 HA2 GLY 7 HA2 GLY 7 -5.331 4.276 0.163 45 HA3 GLY 7 HA1 GLY 7 -6.474 4.123 1.491 46 H ARG 8 HN ARG 8 -6.276 1.362 1.909 47 HA ARG 8 HA ARG 8 -3.921 1.243 3.518 48 HB2 ARG 8 HB2 ARG 8 -6.230 -0.560 2.952 49 HB3 ARG 8 HB1 ARG 8 -4.779 -1.269 3.649 50 HG2 ARG 8 HG2 ARG 8 -6.226 -0.734 5.442 51 HG3 ARG 8 HG1 ARG 8 -4.922 0.456 5.461 52 HD2 ARG 8 HD2 ARG 8 -6.499 1.917 4.064 53 HD3 ARG 8 HD1 ARG 8 -7.766 0.798 4.565 54 HE ARG 8 HE ARG 8 -6.477 2.800 6.176 55 HH11 ARG 8 1HH1 ARG 8 -8.248 -0.207 6.218 56 HH12 ARG 8 2HH1 ARG 8 -8.832 0.016 7.832 57 HH21 ARG 8 1HH2 ARG 8 -7.248 3.094 8.300 58 HH22 ARG 8 2HH2 ARG 8 -8.266 1.888 9.013 59 H LEU 9 HN LEU 9 -5.043 -0.654 0.697 60 HA LEU 9 HA LEU 9 -2.767 -2.209 0.355 61 HB2 LEU 9 HB2 LEU 9 -4.756 -1.125 -1.623 62 HB3 LEU 9 HB1 LEU 9 -3.445 -2.180 -2.116 63 HG LEU 9 HG LEU 9 -4.611 -3.546 -0.004 64 HD11 LEU 9 1HD1 LEU 9 -6.475 -1.726 -0.457 65 HD12 LEU 9 2HD1 LEU 9 -6.881 -3.398 -0.072 66 HD13 LEU 9 3HD1 LEU 9 -6.909 -2.848 -1.747 67 HD21 LEU 9 1HD2 LEU 9 -4.523 -3.763 -2.948 68 HD22 LEU 9 2HD2 LEU 9 -5.726 -4.752 -2.119 69 HD23 LEU 9 3HD2 LEU 9 -4.018 -4.910 -1.707 70 H ALA 10 HN ALA 10 -3.402 1.087 -0.617 71 HA ALA 10 HA ALA 10 -1.439 1.633 -2.436 72 HB1 ALA 10 HB1 ALA 10 -1.448 3.947 -1.522 73 HB2 ALA 10 HB2 ALA 10 -2.443 3.362 -0.189 74 HB3 ALA 10 HB3 ALA 10 -3.051 3.287 -1.843 75 H ARG 11 HN ARG 11 -0.976 0.813 0.880 76 HA ARG 11 HA ARG 11 1.694 1.894 0.982 77 HB2 ARG 11 HB2 ARG 11 1.706 1.383 3.274 78 HB3 ARG 11 HB1 ARG 11 0.063 1.910 2.942 79 HG2 ARG 11 HG2 ARG 11 -0.269 -0.715 2.601 80 HG3 ARG 11 HG1 ARG 11 1.087 -0.748 3.727 81 HD2 ARG 11 HD2 ARG 11 -1.650 0.424 4.115 82 HD3 ARG 11 HD1 ARG 11 -0.832 -0.805 5.078 83 HE ARG 11 HE ARG 11 0.690 1.520 5.223 84 HH11 ARG 11 1HH1 ARG 11 -2.467 0.397 6.190 85 HH12 ARG 11 2HH1 ARG 11 -2.575 1.473 7.542 86 HH21 ARG 11 1HH2 ARG 11 0.550 2.943 6.998 87 HH22 ARG 11 2HH2 ARG 11 -0.863 2.921 8.001 88 H ILE 12 HN ILE 12 0.122 -1.308 0.886 89 HA ILE 12 HA ILE 12 2.400 -2.854 1.277 90 HB ILE 12 HB ILE 12 1.320 -4.641 0.004 91 HG12 ILE 12 2HG1 ILE 12 -1.144 -3.021 -0.383 92 HG13 ILE 12 1HG1 ILE 12 0.166 -2.783 -1.532 93 HG21 ILE 12 1HG2 ILE 12 -0.795 -4.721 1.412 94 HG22 ILE 12 2HG2 ILE 12 -0.307 -3.144 2.032 95 HG23 ILE 12 3HG2 ILE 12 0.734 -4.547 2.272 96 HD11 ILE 12 1HD1 ILE 12 -0.450 -4.597 -2.624 97 HD12 ILE 12 2HD1 ILE 12 -1.781 -4.817 -1.487 98 HD13 ILE 12 3HD1 ILE 12 -0.218 -5.572 -1.173 99 H LEU 13 HN LEU 13 1.277 -1.200 -1.591 100 HA LEU 13 HA LEU 13 3.117 -2.402 -3.397 101 HB2 LEU 13 HB2 LEU 13 2.770 0.050 -4.498 102 HB3 LEU 13 HB1 LEU 13 1.673 -1.295 -4.731 103 HG LEU 13 HG LEU 13 1.113 0.401 -2.382 104 HD11 LEU 13 1HD1 LEU 13 -0.161 1.923 -4.136 105 HD12 LEU 13 2HD1 LEU 13 1.200 1.463 -5.159 106 HD13 LEU 13 3HD1 LEU 13 1.488 2.281 -3.623 107 HD21 LEU 13 1HD2 LEU 13 -1.142 -0.050 -2.986 108 HD22 LEU 13 2HD2 LEU 13 -0.251 -1.548 -3.235 109 HD23 LEU 13 3HD2 LEU 13 -0.682 -0.539 -4.614 110 H GLY 14 HN GLY 14 3.255 0.063 -0.988 111 HA2 GLY 14 HA2 GLY 14 5.922 0.926 -1.852 112 HA3 GLY 14 HA1 GLY 14 4.965 1.639 -0.560 113 H ARG 15 HN ARG 15 4.414 -1.256 0.334 114 HA ARG 15 HA ARG 15 6.842 -1.510 1.979 115 HB2 ARG 15 HB2 ARG 15 3.995 -2.407 2.349 116 HB3 ARG 15 HB1 ARG 15 5.295 -3.138 3.279 117 HG2 ARG 15 HG2 ARG 15 4.524 -1.482 4.687 118 HG3 ARG 15 HG1 ARG 15 5.903 -0.708 3.904 119 HD2 ARG 15 HD2 ARG 15 4.451 0.453 2.380 120 HD3 ARG 15 HD1 ARG 15 3.048 -0.425 2.987 121 HE ARG 15 HE ARG 15 4.207 1.913 4.111 122 HH11 ARG 15 1HH1 ARG 15 2.602 -1.066 4.979 123 HH12 ARG 15 2HH1 ARG 15 1.974 -0.439 6.466 124 HH21 ARG 15 1HH2 ARG 15 3.380 2.735 6.066 125 HH22 ARG 15 2HH2 ARG 15 2.415 1.718 7.083 126 H VAL 16 HN VAL 16 6.607 -2.428 -0.797 127 HA VAL 16 HA VAL 16 6.962 -5.333 -0.403 128 HB VAL 16 HB VAL 16 5.131 -4.909 -1.971 129 HG11 VAL 16 1HG1 VAL 16 5.319 -3.641 -3.936 130 HG12 VAL 16 2HG1 VAL 16 7.075 -3.543 -3.806 131 HG13 VAL 16 3HG1 VAL 16 6.056 -2.652 -2.677 132 HG21 VAL 16 1HG2 VAL 16 7.680 -6.027 -3.085 133 HG22 VAL 16 2HG2 VAL 16 6.194 -6.019 -4.034 134 HG23 VAL 16 3HG2 VAL 16 6.253 -6.882 -2.497 135 H ILE 17 HN ILE 17 7.973 -2.490 -2.180 136 HA ILE 17 HA ILE 17 10.720 -3.187 -1.724 137 HB ILE 17 HB ILE 17 9.734 -2.705 -4.551 138 HG12 ILE 17 2HG1 ILE 17 9.242 -4.996 -3.734 139 HG13 ILE 17 1HG1 ILE 17 10.416 -4.982 -5.045 140 HG21 ILE 17 1HG2 ILE 17 12.316 -3.552 -4.750 141 HG22 ILE 17 2HG2 ILE 17 12.366 -2.584 -3.276 142 HG23 ILE 17 3HG2 ILE 17 11.798 -1.866 -4.783 143 HD11 ILE 17 1HD1 ILE 17 10.664 -6.279 -2.628 144 HD12 ILE 17 2HD1 ILE 17 11.689 -4.855 -2.450 145 HD13 ILE 17 3HD1 ILE 17 11.953 -5.969 -3.791 146 HA PRO 18 HA PRO 18 9.781 1.211 -1.458 147 HB2 PRO 18 HB2 PRO 18 10.576 1.208 1.269 148 HB3 PRO 18 HB1 PRO 18 8.923 1.255 0.654 149 HG2 PRO 18 HG2 PRO 18 10.045 -0.851 2.077 150 HG3 PRO 18 HG1 PRO 18 8.606 -0.974 1.049 151 HD2 PRO 18 HD2 PRO 18 11.428 -1.547 0.380 152 HD3 PRO 18 HD1 PRO 18 10.018 -2.526 -0.001 153 H LYS 19 HN LYS 19 11.305 2.830 -0.308 154 HA LYS 19 HA LYS 19 13.869 2.604 -1.510 155 HB2 LYS 19 HB2 LYS 19 14.320 4.802 -0.569 156 HB3 LYS 19 HB1 LYS 19 12.718 4.768 -1.293 157 HG2 LYS 19 HG2 LYS 19 11.792 5.406 0.612 158 HG3 LYS 19 HG1 LYS 19 12.527 4.052 1.470 159 HD2 LYS 19 HD2 LYS 19 14.529 6.027 0.936 160 HD3 LYS 19 HD1 LYS 19 13.139 6.802 1.695 161 HE2 LYS 19 HE2 LYS 19 13.711 5.971 3.673 162 HE3 LYS 19 HE1 LYS 19 13.685 4.331 3.027 163 HZ1 LYS 19 HZ1 LYS 19 15.959 4.589 2.313 164 HZ2 LYS 19 HZ2 LYS 19 15.846 4.932 3.966 165 HZ3 LYS 19 HZ3 LYS 19 15.991 6.194 2.848 166 H VAL 20 HN VAL 20 12.606 2.092 1.702 167 HA VAL 20 HA VAL 20 13.522 1.224 3.595 168 HB VAL 20 HB VAL 20 15.843 0.358 1.874 169 HG11 VAL 20 1HG1 VAL 20 16.503 -0.164 3.994 170 HG12 VAL 20 2HG1 VAL 20 15.563 -1.609 3.623 171 HG13 VAL 20 3HG1 VAL 20 14.851 -0.318 4.591 172 HG21 VAL 20 1HG2 VAL 20 14.259 -0.712 0.676 173 HG22 VAL 20 2HG2 VAL 20 13.050 -0.576 1.954 174 HG23 VAL 20 3HG2 VAL 20 14.280 -1.838 2.033 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -15.773 -0.855 0.674 2 H2 GLY 1 HT2 GLY 1 -14.195 -0.297 0.911 3 H3 GLY 1 HT3 GLY 1 -15.082 -0.900 2.218 4 HA2 GLY 1 HA1 GLY 1 -13.431 -2.506 1.450 5 HA3 GLY 1 HA2 GLY 1 -15.076 -3.105 1.296 6 H LEU 2 HN LEU 2 -12.978 -1.000 -0.677 7 HA LEU 2 HA LEU 2 -12.504 -2.778 -2.753 8 HB2 LEU 2 HB2 LEU 2 -15.188 -2.021 -2.731 9 HB3 LEU 2 HB1 LEU 2 -14.467 -1.018 -3.974 10 HG LEU 2 HG LEU 2 -15.340 -3.004 -5.000 11 HD11 LEU 2 1HD1 LEU 2 -13.508 -3.606 -6.267 12 HD12 LEU 2 2HD1 LEU 2 -12.409 -3.568 -4.888 13 HD13 LEU 2 3HD1 LEU 2 -12.995 -2.060 -5.591 14 HD21 LEU 2 1HD2 LEU 2 -13.705 -4.481 -2.948 15 HD22 LEU 2 2HD2 LEU 2 -14.414 -5.243 -4.372 16 HD23 LEU 2 3HD2 LEU 2 -15.456 -4.507 -3.155 17 H GLY 3 HN GLY 3 -13.777 0.548 -2.858 18 HA2 GLY 3 HA2 GLY 3 -11.262 1.397 -4.116 19 HA3 GLY 3 HA1 GLY 3 -12.782 2.280 -4.158 20 H SER 4 HN SER 4 -12.958 1.584 -1.152 21 HA SER 4 HA SER 4 -11.683 4.021 -0.248 22 HB2 SER 4 HB2 SER 4 -12.948 2.206 1.728 23 HB3 SER 4 HB1 SER 4 -13.126 3.949 1.522 24 HG SER 4 HG SER 4 -14.354 3.342 -0.447 25 H VAL 5 HN VAL 5 -11.164 0.633 -0.211 26 HA VAL 5 HA VAL 5 -9.304 0.487 1.948 27 HB VAL 5 HB VAL 5 -9.448 -1.328 -0.415 28 HG11 VAL 5 1HG1 VAL 5 -7.727 -1.360 1.663 29 HG12 VAL 5 2HG1 VAL 5 -8.211 -2.800 0.768 30 HG13 VAL 5 3HG1 VAL 5 -9.005 -2.400 2.290 31 HG21 VAL 5 1HG2 VAL 5 -11.593 -0.752 1.292 32 HG22 VAL 5 2HG2 VAL 5 -10.974 -2.317 1.816 33 HG23 VAL 5 3HG2 VAL 5 -11.470 -2.082 0.141 34 H PHE 6 HN PHE 6 -9.189 1.361 -1.385 35 HA PHE 6 HA PHE 6 -6.693 0.840 -2.276 36 HB2 PHE 6 HB2 PHE 6 -7.219 2.322 -3.892 37 HB3 PHE 6 HB1 PHE 6 -8.744 2.510 -3.031 38 HD1 PHE 6 HD1 PHE 6 -5.789 4.134 -4.183 39 HD2 PHE 6 HD2 PHE 6 -8.890 4.355 -1.277 40 HE1 PHE 6 HE1 PHE 6 -5.295 6.520 -3.843 41 HE2 PHE 6 HE2 PHE 6 -8.403 6.741 -0.932 42 HZ PHE 6 HZ PHE 6 -6.603 7.827 -2.216 43 H GLY 7 HN GLY 7 -7.556 2.895 0.352 44 HA2 GLY 7 HA2 GLY 7 -5.167 4.435 0.507 45 HA3 GLY 7 HA1 GLY 7 -6.310 4.168 1.818 46 H ARG 8 HN ARG 8 -6.177 1.374 1.946 47 HA ARG 8 HA ARG 8 -3.795 1.048 3.492 48 HB2 ARG 8 HB2 ARG 8 -6.240 -0.511 2.943 49 HB3 ARG 8 HB1 ARG 8 -4.808 -1.473 3.277 50 HG2 ARG 8 HG2 ARG 8 -5.464 -1.237 5.407 51 HG3 ARG 8 HG1 ARG 8 -4.652 0.325 5.278 52 HD2 ARG 8 HD2 ARG 8 -7.502 0.129 4.447 53 HD3 ARG 8 HD1 ARG 8 -7.128 0.125 6.170 54 HE ARG 8 HE ARG 8 -5.728 2.244 5.155 55 HH11 ARG 8 1HH1 ARG 8 -9.080 1.279 5.173 56 HH12 ARG 8 2HH1 ARG 8 -9.678 2.904 5.146 57 HH21 ARG 8 1HH2 ARG 8 -6.514 4.384 5.123 58 HH22 ARG 8 2HH2 ARG 8 -8.223 4.666 5.118 59 H LEU 9 HN LEU 9 -5.052 -0.565 0.557 60 HA LEU 9 HA LEU 9 -2.851 -2.149 -0.011 61 HB2 LEU 9 HB2 LEU 9 -4.943 -0.858 -1.715 62 HB3 LEU 9 HB1 LEU 9 -3.607 -1.694 -2.483 63 HG LEU 9 HG LEU 9 -4.395 -3.599 -0.740 64 HD11 LEU 9 1HD1 LEU 9 -6.809 -1.924 -1.361 65 HD12 LEU 9 2HD1 LEU 9 -6.246 -2.504 0.207 66 HD13 LEU 9 3HD1 LEU 9 -6.923 -3.638 -0.962 67 HD21 LEU 9 1HD2 LEU 9 -4.219 -3.392 -3.393 68 HD22 LEU 9 2HD2 LEU 9 -5.976 -3.444 -3.239 69 HD23 LEU 9 3HD2 LEU 9 -4.995 -4.761 -2.595 70 H ALA 10 HN ALA 10 -3.355 1.260 -0.617 71 HA ALA 10 HA ALA 10 -1.379 1.878 -2.425 72 HB1 ALA 10 HB1 ALA 10 -2.395 3.435 -0.064 73 HB2 ALA 10 HB2 ALA 10 -2.889 3.568 -1.752 74 HB3 ALA 10 HB3 ALA 10 -1.284 4.107 -1.258 75 H ARG 11 HN ARG 11 -0.970 0.783 0.813 76 HA ARG 11 HA ARG 11 1.732 1.763 1.023 77 HB2 ARG 11 HB2 ARG 11 1.695 1.085 3.264 78 HB3 ARG 11 HB1 ARG 11 0.062 1.651 2.956 79 HG2 ARG 11 HG2 ARG 11 -0.294 -0.935 2.414 80 HG3 ARG 11 HG1 ARG 11 1.051 -1.071 3.545 81 HD2 ARG 11 HD2 ARG 11 -1.642 0.189 4.009 82 HD3 ARG 11 HD1 ARG 11 -0.953 -1.219 4.815 83 HE ARG 11 HE ARG 11 0.648 1.104 5.202 84 HH11 ARG 11 1HH1 ARG 11 -2.256 -0.494 6.292 85 HH12 ARG 11 2HH1 ARG 11 -2.224 0.243 7.859 86 HH21 ARG 11 1HH2 ARG 11 0.694 2.074 7.264 87 HH22 ARG 11 2HH2 ARG 11 -0.549 1.700 8.411 88 H ILE 12 HN ILE 12 0.073 -1.384 0.677 89 HA ILE 12 HA ILE 12 2.300 -3.016 0.935 90 HB ILE 12 HB ILE 12 1.197 -4.642 -0.523 91 HG12 ILE 12 2HG1 ILE 12 -1.227 -2.935 -0.759 92 HG13 ILE 12 1HG1 ILE 12 0.097 -2.610 -1.868 93 HG21 ILE 12 1HG2 ILE 12 -1.070 -4.551 0.864 94 HG22 ILE 12 2HG2 ILE 12 -0.153 -3.346 1.770 95 HG23 ILE 12 3HG2 ILE 12 0.473 -4.986 1.600 96 HD11 ILE 12 1HD1 ILE 12 -0.398 -4.375 -3.109 97 HD12 ILE 12 2HD1 ILE 12 -1.900 -4.477 -2.191 98 HD13 ILE 12 3HD1 ILE 12 -0.501 -5.432 -1.701 99 H LEU 13 HN LEU 13 1.246 -1.111 -1.806 100 HA LEU 13 HA LEU 13 3.087 -2.191 -3.681 101 HB2 LEU 13 HB2 LEU 13 2.793 0.347 -4.584 102 HB3 LEU 13 HB1 LEU 13 1.680 -0.958 -4.936 103 HG LEU 13 HG LEU 13 1.098 0.535 -2.464 104 HD11 LEU 13 1HD1 LEU 13 -0.103 2.207 -4.192 105 HD12 LEU 13 2HD1 LEU 13 1.390 1.880 -5.072 106 HD13 LEU 13 3HD1 LEU 13 1.457 2.538 -3.437 107 HD21 LEU 13 1HD2 LEU 13 -1.163 0.256 -3.229 108 HD22 LEU 13 2HD2 LEU 13 -0.309 -1.268 -3.456 109 HD23 LEU 13 3HD2 LEU 13 -0.610 -0.212 -4.835 110 H GLY 14 HN GLY 14 3.238 0.120 -1.113 111 HA2 GLY 14 HA2 GLY 14 5.945 0.950 -1.892 112 HA3 GLY 14 HA1 GLY 14 4.980 1.639 -0.592 113 H ARG 15 HN ARG 15 4.373 -1.342 0.094 114 HA ARG 15 HA ARG 15 6.717 -1.675 1.838 115 HB2 ARG 15 HB2 ARG 15 3.856 -2.553 2.019 116 HB3 ARG 15 HB1 ARG 15 5.092 -3.403 2.935 117 HG2 ARG 15 HG2 ARG 15 4.293 -1.837 4.439 118 HG3 ARG 15 HG1 ARG 15 5.748 -1.070 3.801 119 HD2 ARG 15 HD2 ARG 15 4.349 0.180 2.201 120 HD3 ARG 15 HD1 ARG 15 2.912 -0.541 2.923 121 HE ARG 15 HE ARG 15 4.385 1.677 3.912 122 HH11 ARG 15 1HH1 ARG 15 2.548 -1.105 4.953 123 HH12 ARG 15 2HH1 ARG 15 2.089 -0.390 6.462 124 HH21 ARG 15 1HH2 ARG 15 3.775 2.617 5.890 125 HH22 ARG 15 2HH2 ARG 15 2.783 1.723 6.993 126 H VAL 16 HN VAL 16 6.645 -2.421 -0.991 127 HA VAL 16 HA VAL 16 6.992 -5.343 -0.765 128 HB VAL 16 HB VAL 16 5.248 -4.791 -2.403 129 HG11 VAL 16 1HG1 VAL 16 6.234 -2.513 -2.925 130 HG12 VAL 16 2HG1 VAL 16 5.570 -3.420 -4.282 131 HG13 VAL 16 3HG1 VAL 16 7.315 -3.350 -4.036 132 HG21 VAL 16 1HG2 VAL 16 7.655 -5.605 -3.994 133 HG22 VAL 16 2HG2 VAL 16 5.992 -6.179 -4.121 134 HG23 VAL 16 3HG2 VAL 16 6.985 -6.652 -2.742 135 H ILE 17 HN ILE 17 8.082 -2.393 -2.303 136 HA ILE 17 HA ILE 17 10.804 -3.078 -1.712 137 HB ILE 17 HB ILE 17 9.987 -2.495 -4.573 138 HG12 ILE 17 2HG1 ILE 17 9.512 -4.828 -3.885 139 HG13 ILE 17 1HG1 ILE 17 10.777 -4.734 -5.105 140 HG21 ILE 17 1HG2 ILE 17 12.037 -1.557 -4.574 141 HG22 ILE 17 2HG2 ILE 17 12.576 -3.231 -4.707 142 HG23 ILE 17 3HG2 ILE 17 12.556 -2.433 -3.134 143 HD11 ILE 17 1HD1 ILE 17 10.886 -6.110 -2.719 144 HD12 ILE 17 2HD1 ILE 17 11.857 -4.668 -2.422 145 HD13 ILE 17 3HD1 ILE 17 12.245 -5.730 -3.776 146 HA PRO 18 HA PRO 18 9.783 1.289 -1.303 147 HB2 PRO 18 HB2 PRO 18 10.429 1.171 1.460 148 HB3 PRO 18 HB1 PRO 18 8.812 1.222 0.757 149 HG2 PRO 18 HG2 PRO 18 9.893 -0.932 2.142 150 HG3 PRO 18 HG1 PRO 18 8.513 -1.027 1.035 151 HD2 PRO 18 HD2 PRO 18 11.372 -1.533 0.494 152 HD3 PRO 18 HD1 PRO 18 9.998 -2.507 -0.011 153 H LYS 19 HN LYS 19 11.213 2.877 -0.006 154 HA LYS 19 HA LYS 19 13.795 2.839 -1.121 155 HB2 LYS 19 HB2 LYS 19 14.179 4.913 0.020 156 HB3 LYS 19 HB1 LYS 19 12.519 4.907 -0.558 157 HG2 LYS 19 HG2 LYS 19 11.798 5.334 1.486 158 HG3 LYS 19 HG1 LYS 19 12.524 3.835 2.067 159 HD2 LYS 19 HD2 LYS 19 14.657 5.615 1.784 160 HD3 LYS 19 HD1 LYS 19 13.354 6.572 2.488 161 HE2 LYS 19 HE2 LYS 19 13.574 5.571 4.467 162 HE3 LYS 19 HE1 LYS 19 13.568 3.967 3.736 163 HZ1 LYS 19 HZ1 LYS 19 15.933 4.293 3.197 164 HZ2 LYS 19 HZ2 LYS 19 15.639 4.328 4.862 165 HZ3 LYS 19 HZ3 LYS 19 15.910 5.770 4.022 166 H VAL 20 HN VAL 20 12.534 1.819 1.960 167 HA VAL 20 HA VAL 20 13.458 0.657 3.683 168 HB VAL 20 HB VAL 20 15.882 0.276 1.925 169 HG11 VAL 20 1HG1 VAL 20 16.491 -0.505 4.003 170 HG12 VAL 20 2HG1 VAL 20 15.805 -1.958 3.276 171 HG13 VAL 20 3HG1 VAL 20 14.852 -1.007 4.415 172 HG21 VAL 20 1HG2 VAL 20 14.405 -0.677 0.509 173 HG22 VAL 20 2HG2 VAL 20 13.169 -0.864 1.753 174 HG23 VAL 20 3HG2 VAL 20 14.496 -2.022 1.647 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -16.130 -1.329 0.688 2 H2 GLY 1 HT2 GLY 1 -15.333 -1.373 2.179 3 H3 GLY 1 HT3 GLY 1 -15.684 -2.814 1.365 4 HA2 GLY 1 HA1 GLY 1 -13.458 -1.036 1.059 5 HA3 GLY 1 HA2 GLY 1 -13.619 -2.717 0.574 6 H LEU 2 HN LEU 2 -12.479 -2.175 -1.371 7 HA LEU 2 HA LEU 2 -12.392 -1.766 -3.606 8 HB2 LEU 2 HB2 LEU 2 -15.378 -1.485 -3.258 9 HB3 LEU 2 HB1 LEU 2 -14.575 -1.406 -4.813 10 HG LEU 2 HG LEU 2 -15.591 -3.615 -4.339 11 HD11 LEU 2 1HD1 LEU 2 -13.913 -4.797 -5.363 12 HD12 LEU 2 2HD1 LEU 2 -12.643 -4.044 -4.398 13 HD13 LEU 2 3HD1 LEU 2 -13.411 -3.141 -5.704 14 HD21 LEU 2 1HD2 LEU 2 -15.079 -3.510 -1.867 15 HD22 LEU 2 2HD2 LEU 2 -13.425 -3.962 -2.281 16 HD23 LEU 2 3HD2 LEU 2 -14.758 -5.053 -2.658 17 H GLY 3 HN GLY 3 -11.156 0.094 -3.270 18 HA2 GLY 3 HA2 GLY 3 -10.865 2.294 -4.136 19 HA3 GLY 3 HA1 GLY 3 -12.586 2.578 -3.908 20 H SER 4 HN SER 4 -12.692 1.521 -1.238 21 HA SER 4 HA SER 4 -11.727 3.851 0.191 22 HB2 SER 4 HB2 SER 4 -12.963 1.621 1.702 23 HB3 SER 4 HB1 SER 4 -13.300 3.350 1.768 24 HG SER 4 HG SER 4 -14.491 3.137 -0.145 25 H VAL 5 HN VAL 5 -11.133 0.433 -0.056 26 HA VAL 5 HA VAL 5 -9.245 0.256 2.091 27 HB VAL 5 HB VAL 5 -9.419 -1.583 -0.249 28 HG11 VAL 5 1HG1 VAL 5 -7.729 -1.643 1.824 29 HG12 VAL 5 2HG1 VAL 5 -8.305 -3.103 1.018 30 HG13 VAL 5 3HG1 VAL 5 -9.062 -2.566 2.518 31 HG21 VAL 5 1HG2 VAL 5 -11.666 -1.532 0.301 32 HG22 VAL 5 2HG2 VAL 5 -11.346 -1.288 2.018 33 HG23 VAL 5 3HG2 VAL 5 -11.077 -2.870 1.286 34 H PHE 6 HN PHE 6 -9.176 0.943 -1.320 35 HA PHE 6 HA PHE 6 -6.658 0.408 -2.152 36 HB2 PHE 6 HB2 PHE 6 -7.234 1.708 -3.894 37 HB3 PHE 6 HB1 PHE 6 -8.732 2.033 -3.027 38 HD1 PHE 6 HD1 PHE 6 -5.953 3.485 -4.582 39 HD2 PHE 6 HD2 PHE 6 -8.571 3.986 -1.266 40 HE1 PHE 6 HE1 PHE 6 -5.365 5.873 -4.483 41 HE2 PHE 6 HE2 PHE 6 -7.994 6.375 -1.163 42 HZ PHE 6 HZ PHE 6 -6.387 7.321 -2.773 43 H GLY 7 HN GLY 7 -7.582 2.671 0.286 44 HA2 GLY 7 HA2 GLY 7 -5.242 4.274 0.331 45 HA3 GLY 7 HA1 GLY 7 -6.363 4.053 1.670 46 H ARG 8 HN ARG 8 -6.138 1.277 1.954 47 HA ARG 8 HA ARG 8 -3.713 1.115 3.473 48 HB2 ARG 8 HB2 ARG 8 -6.108 -0.597 3.047 49 HB3 ARG 8 HB1 ARG 8 -4.637 -1.396 3.582 50 HG2 ARG 8 HG2 ARG 8 -5.547 -0.924 5.603 51 HG3 ARG 8 HG1 ARG 8 -4.649 0.574 5.350 52 HD2 ARG 8 HD2 ARG 8 -7.217 0.792 4.112 53 HD3 ARG 8 HD1 ARG 8 -7.420 0.250 5.778 54 HE ARG 8 HE ARG 8 -6.549 2.834 4.892 55 HH11 ARG 8 1HH1 ARG 8 -6.424 0.535 7.517 56 HH12 ARG 8 2HH1 ARG 8 -6.079 1.736 8.715 57 HH21 ARG 8 1HH2 ARG 8 -6.099 4.412 6.470 58 HH22 ARG 8 2HH2 ARG 8 -5.894 3.934 8.122 59 H LEU 9 HN LEU 9 -5.029 -0.672 0.668 60 HA LEU 9 HA LEU 9 -2.850 -2.309 0.170 61 HB2 LEU 9 HB2 LEU 9 -4.816 -1.026 -1.715 62 HB3 LEU 9 HB1 LEU 9 -3.605 -2.173 -2.259 63 HG LEU 9 HG LEU 9 -4.704 -3.629 -0.295 64 HD11 LEU 9 1HD1 LEU 9 -6.746 -1.603 -1.094 65 HD12 LEU 9 2HD1 LEU 9 -6.382 -2.268 0.499 66 HD13 LEU 9 3HD1 LEU 9 -7.246 -3.245 -0.688 67 HD21 LEU 9 1HD2 LEU 9 -4.970 -3.441 -3.169 68 HD22 LEU 9 2HD2 LEU 9 -6.429 -4.096 -2.426 69 HD23 LEU 9 3HD2 LEU 9 -4.870 -4.867 -2.137 70 H ALA 10 HN ALA 10 -3.381 1.036 -0.743 71 HA ALA 10 HA ALA 10 -1.368 1.512 -2.546 72 HB1 ALA 10 HB1 ALA 10 -2.688 3.188 -0.472 73 HB2 ALA 10 HB2 ALA 10 -2.728 3.324 -2.230 74 HB3 ALA 10 HB3 ALA 10 -1.294 3.835 -1.339 75 H ARG 11 HN ARG 11 -1.019 0.719 0.786 76 HA ARG 11 HA ARG 11 1.657 1.770 0.966 77 HB2 ARG 11 HB2 ARG 11 1.565 1.350 3.247 78 HB3 ARG 11 HB1 ARG 11 -0.107 1.717 2.861 79 HG2 ARG 11 HG2 ARG 11 -0.202 -0.929 2.573 80 HG3 ARG 11 HG1 ARG 11 1.133 -0.828 3.719 81 HD2 ARG 11 HD2 ARG 11 -1.725 -0.017 4.048 82 HD3 ARG 11 HD1 ARG 11 -0.714 -0.999 5.104 83 HE ARG 11 HE ARG 11 0.405 1.521 5.109 84 HH11 ARG 11 1HH1 ARG 11 -2.666 0.104 5.965 85 HH12 ARG 11 2HH1 ARG 11 -3.007 1.275 7.195 86 HH21 ARG 11 1HH2 ARG 11 -0.045 3.069 6.725 87 HH22 ARG 11 2HH2 ARG 11 -1.521 2.958 7.625 88 H ILE 12 HN ILE 12 0.074 -1.428 0.817 89 HA ILE 12 HA ILE 12 2.349 -2.975 1.241 90 HB ILE 12 HB ILE 12 1.287 -4.750 -0.069 91 HG12 ILE 12 2HG1 ILE 12 -1.187 -3.143 -0.434 92 HG13 ILE 12 1HG1 ILE 12 0.124 -2.861 -1.571 93 HG21 ILE 12 1HG2 ILE 12 -0.951 -4.650 1.323 94 HG22 ILE 12 2HG2 ILE 12 -0.136 -3.285 2.088 95 HG23 ILE 12 3HG2 ILE 12 0.612 -4.883 2.107 96 HD11 ILE 12 1HD1 ILE 12 -0.604 -4.595 -2.728 97 HD12 ILE 12 2HD1 ILE 12 -1.770 -5.004 -1.469 98 HD13 ILE 12 3HD1 ILE 12 -0.125 -5.635 -1.387 99 H LEU 13 HN LEU 13 1.259 -1.318 -1.631 100 HA LEU 13 HA LEU 13 3.129 -2.517 -3.413 101 HB2 LEU 13 HB2 LEU 13 2.748 -0.087 -4.548 102 HB3 LEU 13 HB1 LEU 13 1.682 -1.458 -4.775 103 HG LEU 13 HG LEU 13 1.041 0.243 -2.456 104 HD11 LEU 13 1HD1 LEU 13 -0.215 1.699 -4.331 105 HD12 LEU 13 2HD1 LEU 13 1.285 1.337 -5.185 106 HD13 LEU 13 3HD1 LEU 13 1.335 2.153 -3.622 107 HD21 LEU 13 1HD2 LEU 13 -1.192 -0.227 -3.126 108 HD22 LEU 13 2HD2 LEU 13 -0.279 -1.719 -3.338 109 HD23 LEU 13 3HD2 LEU 13 -0.676 -0.721 -4.736 110 H GLY 14 HN GLY 14 3.207 -0.005 -1.045 111 HA2 GLY 14 HA2 GLY 14 5.883 0.853 -1.898 112 HA3 GLY 14 HA1 GLY 14 4.899 1.607 -0.649 113 H ARG 15 HN ARG 15 4.356 -1.304 0.275 114 HA ARG 15 HA ARG 15 6.721 -1.466 2.015 115 HB2 ARG 15 HB2 ARG 15 3.867 -2.337 2.296 116 HB3 ARG 15 HB1 ARG 15 5.115 -3.105 3.268 117 HG2 ARG 15 HG2 ARG 15 4.309 -1.408 4.633 118 HG3 ARG 15 HG1 ARG 15 5.781 -0.723 3.941 119 HD2 ARG 15 HD2 ARG 15 4.408 0.409 2.230 120 HD3 ARG 15 HD1 ARG 15 2.957 -0.220 3.008 121 HE ARG 15 HE ARG 15 4.158 1.072 5.028 122 HH11 ARG 15 1HH1 ARG 15 3.455 2.047 1.749 123 HH12 ARG 15 2HH1 ARG 15 3.279 3.721 2.155 124 HH21 ARG 15 1HH2 ARG 15 3.926 3.269 5.560 125 HH22 ARG 15 2HH2 ARG 15 3.546 4.415 4.318 126 H VAL 16 HN VAL 16 6.617 -2.458 -0.746 127 HA VAL 16 HA VAL 16 7.005 -5.342 -0.261 128 HB VAL 16 HB VAL 16 5.214 -4.943 -1.900 129 HG11 VAL 16 1HG1 VAL 16 5.525 -3.803 -3.942 130 HG12 VAL 16 2HG1 VAL 16 7.267 -3.678 -3.693 131 HG13 VAL 16 3HG1 VAL 16 6.163 -2.743 -2.686 132 HG21 VAL 16 1HG2 VAL 16 7.675 -5.982 -3.291 133 HG22 VAL 16 2HG2 VAL 16 5.995 -6.420 -3.604 134 HG23 VAL 16 3HG2 VAL 16 6.762 -6.892 -2.088 135 H ILE 17 HN ILE 17 8.022 -2.541 -2.093 136 HA ILE 17 HA ILE 17 10.764 -3.136 -1.503 137 HB ILE 17 HB ILE 17 9.866 -2.857 -4.386 138 HG12 ILE 17 2HG1 ILE 17 9.475 -5.118 -3.456 139 HG13 ILE 17 1HG1 ILE 17 10.717 -5.119 -4.704 140 HG21 ILE 17 1HG2 ILE 17 11.886 -1.871 -4.544 141 HG22 ILE 17 2HG2 ILE 17 12.470 -3.535 -4.519 142 HG23 ILE 17 3HG2 ILE 17 12.469 -2.578 -3.037 143 HD11 ILE 17 1HD1 ILE 17 10.906 -6.229 -2.184 144 HD12 ILE 17 2HD1 ILE 17 11.842 -4.738 -2.068 145 HD13 ILE 17 3HD1 ILE 17 12.234 -5.932 -3.306 146 HA PRO 18 HA PRO 18 9.699 1.237 -1.488 147 HB2 PRO 18 HB2 PRO 18 10.430 1.396 1.251 148 HB3 PRO 18 HB1 PRO 18 8.791 1.359 0.600 149 HG2 PRO 18 HG2 PRO 18 9.952 -0.637 2.151 150 HG3 PRO 18 HG1 PRO 18 8.535 -0.855 1.111 151 HD2 PRO 18 HD2 PRO 18 11.379 -1.385 0.520 152 HD3 PRO 18 HD1 PRO 18 10.000 -2.413 0.156 153 H LYS 19 HN LYS 19 11.150 2.955 -0.404 154 HA LYS 19 HA LYS 19 13.710 2.800 -1.578 155 HB2 LYS 19 HB2 LYS 19 14.107 4.997 -0.629 156 HB3 LYS 19 HB1 LYS 19 12.485 4.919 -1.301 157 HG2 LYS 19 HG2 LYS 19 11.579 5.457 0.644 158 HG3 LYS 19 HG1 LYS 19 12.448 4.164 1.469 159 HD2 LYS 19 HD2 LYS 19 14.207 6.363 0.795 160 HD3 LYS 19 HD1 LYS 19 12.840 6.905 1.769 161 HE2 LYS 19 HE2 LYS 19 13.971 6.189 3.549 162 HE3 LYS 19 HE1 LYS 19 13.645 4.550 2.989 163 HZ1 LYS 19 HZ1 LYS 19 15.724 4.562 1.790 164 HZ2 LYS 19 HZ2 LYS 19 16.006 4.933 3.416 165 HZ3 LYS 19 HZ3 LYS 19 16.030 6.161 2.252 166 H VAL 20 HN VAL 20 12.513 2.141 1.625 167 HA VAL 20 HA VAL 20 13.490 1.279 3.492 168 HB VAL 20 HB VAL 20 15.805 0.525 1.708 169 HG11 VAL 20 1HG1 VAL 20 16.518 -0.008 3.814 170 HG12 VAL 20 2HG1 VAL 20 15.641 -1.485 3.412 171 HG13 VAL 20 3HG1 VAL 20 14.882 -0.257 4.425 172 HG21 VAL 20 1HG2 VAL 20 14.225 -0.564 0.520 173 HG22 VAL 20 2HG2 VAL 20 13.045 -0.499 1.829 174 HG23 VAL 20 3HG2 VAL 20 14.316 -1.721 1.848 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -15.056 -1.738 2.264 2 H2 GLY 1 HT2 GLY 1 -15.593 -3.009 1.286 3 H3 GLY 1 HT3 GLY 1 -15.946 -1.411 0.862 4 HA2 GLY 1 HA1 GLY 1 -13.263 -1.334 1.021 5 HA3 GLY 1 HA2 GLY 1 -13.549 -2.958 0.414 6 H LEU 2 HN LEU 2 -12.516 -2.298 -1.557 7 HA LEU 2 HA LEU 2 -12.536 -1.651 -3.738 8 HB2 LEU 2 HB2 LEU 2 -15.498 -1.384 -3.214 9 HB3 LEU 2 HB1 LEU 2 -14.762 -1.257 -4.799 10 HG LEU 2 HG LEU 2 -15.736 -3.457 -4.500 11 HD11 LEU 2 1HD1 LEU 2 -13.925 -4.751 -5.241 12 HD12 LEU 2 2HD1 LEU 2 -12.759 -3.801 -4.319 13 HD13 LEU 2 3HD1 LEU 2 -13.543 -3.102 -5.737 14 HD21 LEU 2 1HD2 LEU 2 -15.350 -3.349 -1.947 15 HD22 LEU 2 2HD2 LEU 2 -13.775 -4.051 -2.318 16 HD23 LEU 2 3HD2 LEU 2 -15.250 -4.912 -2.760 17 H GLY 3 HN GLY 3 -11.294 0.196 -3.265 18 HA2 GLY 3 HA2 GLY 3 -11.067 2.463 -3.956 19 HA3 GLY 3 HA1 GLY 3 -12.780 2.700 -3.639 20 H SER 4 HN SER 4 -12.715 1.405 -1.041 21 HA SER 4 HA SER 4 -11.760 3.660 0.509 22 HB2 SER 4 HB2 SER 4 -12.885 1.190 1.775 23 HB3 SER 4 HB1 SER 4 -13.095 2.878 2.238 24 HG SER 4 HG SER 4 -14.318 3.037 0.182 25 H VAL 5 HN VAL 5 -11.097 0.274 0.036 26 HA VAL 5 HA VAL 5 -9.045 0.036 2.014 27 HB VAL 5 HB VAL 5 -9.330 -1.670 -0.413 28 HG11 VAL 5 1HG1 VAL 5 -7.450 -1.897 1.331 29 HG12 VAL 5 2HG1 VAL 5 -8.304 -3.357 0.830 30 HG13 VAL 5 3HG1 VAL 5 -8.697 -2.589 2.368 31 HG21 VAL 5 1HG2 VAL 5 -11.460 -2.084 0.138 32 HG22 VAL 5 2HG2 VAL 5 -11.295 -1.282 1.699 33 HG23 VAL 5 3HG2 VAL 5 -10.810 -2.968 1.518 34 H PHE 6 HN PHE 6 -9.236 0.823 -1.387 35 HA PHE 6 HA PHE 6 -6.739 0.441 -2.367 36 HB2 PHE 6 HB2 PHE 6 -7.684 1.567 -4.057 37 HB3 PHE 6 HB1 PHE 6 -8.956 2.135 -2.982 38 HD1 PHE 6 HD1 PHE 6 -6.057 3.030 -4.889 39 HD2 PHE 6 HD2 PHE 6 -8.579 4.269 -1.692 40 HE1 PHE 6 HE1 PHE 6 -5.206 5.328 -5.113 41 HE2 PHE 6 HE2 PHE 6 -7.733 6.570 -1.912 42 HZ PHE 6 HZ PHE 6 -6.044 7.101 -3.623 43 H GLY 7 HN GLY 7 -7.666 2.638 0.131 44 HA2 GLY 7 HA2 GLY 7 -5.343 4.308 0.043 45 HA3 GLY 7 HA1 GLY 7 -6.479 4.175 1.380 46 H ARG 8 HN ARG 8 -6.269 1.443 1.885 47 HA ARG 8 HA ARG 8 -3.902 1.382 3.470 48 HB2 ARG 8 HB2 ARG 8 -6.213 -0.433 2.993 49 HB3 ARG 8 HB1 ARG 8 -4.747 -1.145 3.650 50 HG2 ARG 8 HG2 ARG 8 -6.134 -0.583 5.481 51 HG3 ARG 8 HG1 ARG 8 -4.819 0.592 5.452 52 HD2 ARG 8 HD2 ARG 8 -6.900 1.626 3.844 53 HD3 ARG 8 HD1 ARG 8 -7.637 1.040 5.334 54 HE ARG 8 HE ARG 8 -5.487 2.469 6.185 55 HH11 ARG 8 1HH1 ARG 8 -8.203 3.172 4.110 56 HH12 ARG 8 2HH1 ARG 8 -8.243 4.853 4.523 57 HH21 ARG 8 1HH2 ARG 8 -5.535 4.683 6.722 58 HH22 ARG 8 2HH2 ARG 8 -6.729 5.711 6.003 59 H LEU 9 HN LEU 9 -5.017 -0.547 0.671 60 HA LEU 9 HA LEU 9 -2.746 -2.123 0.381 61 HB2 LEU 9 HB2 LEU 9 -4.874 -1.181 -1.474 62 HB3 LEU 9 HB1 LEU 9 -3.457 -1.950 -2.165 63 HG LEU 9 HG LEU 9 -4.024 -3.788 -0.321 64 HD11 LEU 9 1HD1 LEU 9 -6.464 -2.152 -0.597 65 HD12 LEU 9 2HD1 LEU 9 -5.909 -3.153 0.745 66 HD13 LEU 9 3HD1 LEU 9 -6.680 -3.902 -0.654 67 HD21 LEU 9 1HD2 LEU 9 -3.829 -4.477 -2.531 68 HD22 LEU 9 2HD2 LEU 9 -5.119 -3.408 -3.082 69 HD23 LEU 9 3HD2 LEU 9 -5.509 -4.849 -2.143 70 H ALA 10 HN ALA 10 -3.323 1.170 -0.634 71 HA ALA 10 HA ALA 10 -1.359 1.645 -2.482 72 HB1 ALA 10 HB1 ALA 10 -2.327 3.424 -0.258 73 HB2 ALA 10 HB2 ALA 10 -2.914 3.357 -1.920 74 HB3 ALA 10 HB3 ALA 10 -1.296 3.972 -1.580 75 H ARG 11 HN ARG 11 -0.908 0.860 0.837 76 HA ARG 11 HA ARG 11 1.787 1.878 0.938 77 HB2 ARG 11 HB2 ARG 11 1.741 1.461 3.225 78 HB3 ARG 11 HB1 ARG 11 0.066 1.855 2.874 79 HG2 ARG 11 HG2 ARG 11 -0.344 -0.638 2.705 80 HG3 ARG 11 HG1 ARG 11 1.263 -0.850 3.392 81 HD2 ARG 11 HD2 ARG 11 -1.090 -0.579 4.798 82 HD3 ARG 11 HD1 ARG 11 0.534 -0.414 5.453 83 HE ARG 11 HE ARG 11 0.220 2.050 4.826 84 HH11 ARG 11 1HH1 ARG 11 -2.370 -0.046 5.899 85 HH12 ARG 11 2HH1 ARG 11 -3.313 1.255 6.539 86 HH21 ARG 11 1HH2 ARG 11 -1.027 3.747 5.671 87 HH22 ARG 11 2HH2 ARG 11 -2.556 3.402 6.410 88 H ILE 12 HN ILE 12 0.139 -1.289 0.950 89 HA ILE 12 HA ILE 12 2.395 -2.878 1.266 90 HB ILE 12 HB ILE 12 1.224 -4.673 0.144 91 HG12 ILE 12 2HG1 ILE 12 -1.249 -3.130 -0.304 92 HG13 ILE 12 1HG1 ILE 12 0.061 -2.769 -1.419 93 HG21 ILE 12 1HG2 ILE 12 -1.041 -4.278 1.538 94 HG22 ILE 12 2HG2 ILE 12 -0.015 -3.036 2.257 95 HG23 ILE 12 3HG2 ILE 12 0.496 -4.724 2.278 96 HD11 ILE 12 1HD1 ILE 12 -0.576 -4.525 -2.599 97 HD12 ILE 12 2HD1 ILE 12 -1.706 -5.027 -1.341 98 HD13 ILE 12 3HD1 ILE 12 -0.022 -5.547 -1.273 99 H LEU 13 HN LEU 13 1.231 -1.208 -1.561 100 HA LEU 13 HA LEU 13 2.927 -2.549 -3.422 101 HB2 LEU 13 HB2 LEU 13 2.607 -0.107 -4.578 102 HB3 LEU 13 HB1 LEU 13 1.495 -1.446 -4.757 103 HG LEU 13 HG LEU 13 0.984 0.307 -2.442 104 HD11 LEU 13 1HD1 LEU 13 -0.302 1.753 -4.308 105 HD12 LEU 13 2HD1 LEU 13 1.164 1.341 -5.196 106 HD13 LEU 13 3HD1 LEU 13 1.277 2.186 -3.653 107 HD21 LEU 13 1HD2 LEU 13 -1.302 -0.075 -3.086 108 HD22 LEU 13 2HD2 LEU 13 -0.439 -1.609 -3.158 109 HD23 LEU 13 3HD2 LEU 13 -0.800 -0.730 -4.643 110 H GLY 14 HN GLY 14 3.246 0.043 -1.152 111 HA2 GLY 14 HA2 GLY 14 5.933 0.690 -2.161 112 HA3 GLY 14 HA1 GLY 14 5.045 1.583 -0.931 113 H ARG 15 HN ARG 15 4.401 -1.305 0.121 114 HA ARG 15 HA ARG 15 6.769 -1.441 1.856 115 HB2 ARG 15 HB2 ARG 15 3.900 -2.213 2.173 116 HB3 ARG 15 HB1 ARG 15 5.115 -3.038 3.140 117 HG2 ARG 15 HG2 ARG 15 4.266 -1.240 4.436 118 HG3 ARG 15 HG1 ARG 15 5.894 -0.793 3.919 119 HD2 ARG 15 HD2 ARG 15 4.652 0.338 1.928 120 HD3 ARG 15 HD1 ARG 15 3.251 0.260 2.991 121 HE ARG 15 HE ARG 15 5.465 2.049 3.188 122 HH11 ARG 15 1HH1 ARG 15 3.088 0.333 5.082 123 HH12 ARG 15 2HH1 ARG 15 3.127 1.470 6.388 124 HH21 ARG 15 1HH2 ARG 15 5.516 3.544 4.900 125 HH22 ARG 15 2HH2 ARG 15 4.505 3.294 6.285 126 H VAL 16 HN VAL 16 6.669 -2.508 -0.857 127 HA VAL 16 HA VAL 16 7.018 -5.385 -0.307 128 HB VAL 16 HB VAL 16 5.271 -5.032 -1.990 129 HG11 VAL 16 1HG1 VAL 16 5.583 -3.869 -4.014 130 HG12 VAL 16 2HG1 VAL 16 7.323 -3.736 -3.761 131 HG13 VAL 16 3HG1 VAL 16 6.213 -2.809 -2.753 132 HG21 VAL 16 1HG2 VAL 16 7.648 -5.970 -3.544 133 HG22 VAL 16 2HG2 VAL 16 6.006 -6.615 -3.511 134 HG23 VAL 16 3HG2 VAL 16 7.085 -6.877 -2.140 135 H ILE 17 HN ILE 17 8.099 -2.608 -2.140 136 HA ILE 17 HA ILE 17 10.820 -3.224 -1.483 137 HB ILE 17 HB ILE 17 10.021 -2.899 -4.390 138 HG12 ILE 17 2HG1 ILE 17 9.522 -5.162 -3.496 139 HG13 ILE 17 1HG1 ILE 17 10.787 -5.182 -4.720 140 HG21 ILE 17 1HG2 ILE 17 12.080 -1.980 -4.447 141 HG22 ILE 17 2HG2 ILE 17 12.605 -3.663 -4.431 142 HG23 ILE 17 3HG2 ILE 17 12.575 -2.735 -2.932 143 HD11 ILE 17 1HD1 ILE 17 10.890 -6.348 -2.225 144 HD12 ILE 17 2HD1 ILE 17 11.868 -4.890 -2.053 145 HD13 ILE 17 3HD1 ILE 17 12.251 -6.066 -3.311 146 HA PRO 18 HA PRO 18 9.782 1.161 -1.484 147 HB2 PRO 18 HB2 PRO 18 10.445 1.302 1.276 148 HB3 PRO 18 HB1 PRO 18 8.824 1.290 0.581 149 HG2 PRO 18 HG2 PRO 18 9.906 -0.727 2.154 150 HG3 PRO 18 HG1 PRO 18 8.526 -0.925 1.060 151 HD2 PRO 18 HD2 PRO 18 11.387 -1.473 0.565 152 HD3 PRO 18 HD1 PRO 18 10.016 -2.495 0.158 153 H LYS 19 HN LYS 19 11.213 2.871 -0.352 154 HA LYS 19 HA LYS 19 13.818 2.677 -1.441 155 HB2 LYS 19 HB2 LYS 19 14.201 4.893 -0.516 156 HB3 LYS 19 HB1 LYS 19 12.619 4.820 -1.279 157 HG2 LYS 19 HG2 LYS 19 11.606 5.406 0.603 158 HG3 LYS 19 HG1 LYS 19 12.431 4.139 1.512 159 HD2 LYS 19 HD2 LYS 19 14.167 6.383 0.824 160 HD3 LYS 19 HD1 LYS 19 12.795 6.847 1.830 161 HE2 LYS 19 HE2 LYS 19 14.072 6.185 3.546 162 HE3 LYS 19 HE1 LYS 19 13.640 4.551 3.044 163 HZ1 LYS 19 HZ1 LYS 19 15.649 4.401 1.773 164 HZ2 LYS 19 HZ2 LYS 19 16.048 4.877 3.346 165 HZ3 LYS 19 HZ3 LYS 19 16.041 6.016 2.095 166 H VAL 20 HN VAL 20 12.475 2.139 1.726 167 HA VAL 20 HA VAL 20 13.357 1.297 3.647 168 HB VAL 20 HB VAL 20 15.748 0.513 1.982 169 HG11 VAL 20 1HG1 VAL 20 16.305 0.127 4.202 170 HG12 VAL 20 2HG1 VAL 20 15.661 -1.430 3.680 171 HG13 VAL 20 3HG1 VAL 20 14.660 -0.338 4.639 172 HG21 VAL 20 1HG2 VAL 20 14.218 -0.606 0.757 173 HG22 VAL 20 2HG2 VAL 20 12.987 -0.517 2.016 174 HG23 VAL 20 3HG2 VAL 20 14.259 -1.735 2.112 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -15.522 -1.522 1.305 2 H2 GLY 1 HT2 GLY 1 -14.796 -2.873 2.018 3 H3 GLY 1 HT3 GLY 1 -15.613 -3.033 0.546 4 HA2 GLY 1 HA1 GLY 1 -13.145 -1.439 0.974 5 HA3 GLY 1 HA2 GLY 1 -13.198 -3.036 0.245 6 H LEU 2 HN LEU 2 -12.255 -2.205 -1.665 7 HA LEU 2 HA LEU 2 -12.306 -1.457 -3.811 8 HB2 LEU 2 HB2 LEU 2 -15.275 -1.443 -3.272 9 HB3 LEU 2 HB1 LEU 2 -14.583 -1.059 -4.835 10 HG LEU 2 HG LEU 2 -15.393 -3.379 -4.713 11 HD11 LEU 2 1HD1 LEU 2 -13.531 -4.379 -5.765 12 HD12 LEU 2 2HD1 LEU 2 -12.392 -3.358 -4.888 13 HD13 LEU 2 3HD1 LEU 2 -13.430 -2.657 -6.129 14 HD21 LEU 2 1HD2 LEU 2 -14.697 -3.515 -2.213 15 HD22 LEU 2 2HD2 LEU 2 -13.143 -4.037 -2.861 16 HD23 LEU 2 3HD2 LEU 2 -14.603 -4.956 -3.224 17 H GLY 3 HN GLY 3 -11.156 0.404 -3.179 18 HA2 GLY 3 HA2 GLY 3 -11.023 2.716 -3.759 19 HA3 GLY 3 HA1 GLY 3 -12.745 2.863 -3.434 20 H SER 4 HN SER 4 -12.693 1.462 -0.930 21 HA SER 4 HA SER 4 -11.783 3.631 0.763 22 HB2 SER 4 HB2 SER 4 -12.917 1.075 1.848 23 HB3 SER 4 HB1 SER 4 -13.128 2.726 2.432 24 HG SER 4 HG SER 4 -14.335 1.492 0.190 25 H VAL 5 HN VAL 5 -10.974 0.355 -0.029 26 HA VAL 5 HA VAL 5 -8.966 0.022 2.011 27 HB VAL 5 HB VAL 5 -9.257 -1.571 -0.493 28 HG11 VAL 5 1HG1 VAL 5 -7.878 -1.902 2.094 29 HG12 VAL 5 2HG1 VAL 5 -7.429 -2.472 0.487 30 HG13 VAL 5 3HG1 VAL 5 -8.634 -3.350 1.428 31 HG21 VAL 5 1HG2 VAL 5 -11.229 -1.260 1.556 32 HG22 VAL 5 2HG2 VAL 5 -10.618 -2.914 1.580 33 HG23 VAL 5 3HG2 VAL 5 -11.292 -2.246 0.095 34 H PHE 6 HN PHE 6 -9.165 1.084 -1.297 35 HA PHE 6 HA PHE 6 -6.707 0.723 -2.363 36 HB2 PHE 6 HB2 PHE 6 -7.347 2.268 -3.886 37 HB3 PHE 6 HB1 PHE 6 -8.860 2.284 -2.987 38 HD1 PHE 6 HD1 PHE 6 -6.569 4.332 -4.471 39 HD2 PHE 6 HD2 PHE 6 -8.626 3.891 -0.773 40 HE1 PHE 6 HE1 PHE 6 -6.268 6.732 -4.022 41 HE2 PHE 6 HE2 PHE 6 -8.330 6.290 -0.316 42 HZ PHE 6 HZ PHE 6 -7.149 7.714 -1.942 43 H GLY 7 HN GLY 7 -7.487 2.660 0.380 44 HA2 GLY 7 HA2 GLY 7 -5.143 4.284 0.424 45 HA3 GLY 7 HA1 GLY 7 -6.209 3.969 1.785 46 H ARG 8 HN ARG 8 -5.993 1.175 1.865 47 HA ARG 8 HA ARG 8 -3.518 0.902 3.277 48 HB2 ARG 8 HB2 ARG 8 -5.860 -0.880 2.717 49 HB3 ARG 8 HB1 ARG 8 -4.365 -1.588 3.313 50 HG2 ARG 8 HG2 ARG 8 -5.379 -1.217 5.298 51 HG3 ARG 8 HG1 ARG 8 -4.612 0.360 5.103 52 HD2 ARG 8 HD2 ARG 8 -6.850 0.921 3.841 53 HD3 ARG 8 HD1 ARG 8 -7.474 -0.419 4.803 54 HE ARG 8 HE ARG 8 -6.027 1.533 6.337 55 HH11 ARG 8 1HH1 ARG 8 -9.136 0.677 5.000 56 HH12 ARG 8 2HH1 ARG 8 -10.028 1.612 6.152 57 HH21 ARG 8 1HH2 ARG 8 -7.200 2.751 7.861 58 HH22 ARG 8 2HH2 ARG 8 -8.929 2.789 7.778 59 H LEU 9 HN LEU 9 -4.895 -0.492 0.306 60 HA LEU 9 HA LEU 9 -2.826 -2.180 -0.413 61 HB2 LEU 9 HB2 LEU 9 -4.757 -0.561 -2.043 62 HB3 LEU 9 HB1 LEU 9 -3.551 -1.569 -2.819 63 HG LEU 9 HG LEU 9 -5.049 -3.018 -0.781 64 HD11 LEU 9 1HD1 LEU 9 -6.604 -2.100 -3.186 65 HD12 LEU 9 2HD1 LEU 9 -6.771 -1.373 -1.588 66 HD13 LEU 9 3HD1 LEU 9 -7.173 -3.073 -1.830 67 HD21 LEU 9 1HD2 LEU 9 -4.106 -3.368 -3.569 68 HD22 LEU 9 2HD2 LEU 9 -5.462 -4.362 -3.036 69 HD23 LEU 9 3HD2 LEU 9 -3.927 -4.426 -2.169 70 H ALA 10 HN ALA 10 -3.261 1.153 -1.593 71 HA ALA 10 HA ALA 10 -0.971 1.530 -3.015 72 HB1 ALA 10 HB1 ALA 10 -2.301 3.517 -1.184 73 HB2 ALA 10 HB2 ALA 10 -2.692 3.214 -2.877 74 HB3 ALA 10 HB3 ALA 10 -1.135 3.919 -2.444 75 H ARG 11 HN ARG 11 -1.213 1.172 0.410 76 HA ARG 11 HA ARG 11 1.437 2.207 0.909 77 HB2 ARG 11 HB2 ARG 11 -0.107 2.750 2.604 78 HB3 ARG 11 HB1 ARG 11 -0.774 1.127 2.639 79 HG2 ARG 11 HG2 ARG 11 2.000 1.009 3.315 80 HG3 ARG 11 HG1 ARG 11 1.209 2.240 4.300 81 HD2 ARG 11 HD2 ARG 11 0.604 0.528 5.613 82 HD3 ARG 11 HD1 ARG 11 -0.609 0.204 4.375 83 HE ARG 11 HE ARG 11 1.496 -1.174 3.461 84 HH11 ARG 11 1HH1 ARG 11 0.007 -1.047 6.615 85 HH12 ARG 11 2HH1 ARG 11 0.448 -2.671 7.024 86 HH21 ARG 11 1HH2 ARG 11 2.074 -3.308 3.998 87 HH22 ARG 11 2HH2 ARG 11 1.622 -3.954 5.540 88 H ILE 12 HN ILE 12 -0.269 -0.938 1.139 89 HA ILE 12 HA ILE 12 1.959 -2.399 1.999 90 HB ILE 12 HB ILE 12 0.886 -4.405 1.287 91 HG12 ILE 12 2HG1 ILE 12 -1.572 -3.539 0.177 92 HG13 ILE 12 1HG1 ILE 12 -0.294 -2.739 -0.724 93 HG21 ILE 12 1HG2 ILE 12 -1.513 -2.911 2.121 94 HG22 ILE 12 2HG2 ILE 12 -0.086 -2.718 3.136 95 HG23 ILE 12 3HG2 ILE 12 -0.747 -4.326 2.842 96 HD11 ILE 12 1HD1 ILE 12 0.125 -4.592 -1.845 97 HD12 ILE 12 2HD1 ILE 12 -1.240 -5.352 -1.027 98 HD13 ILE 12 3HD1 ILE 12 0.382 -5.487 -0.347 99 H LEU 13 HN LEU 13 0.963 -1.487 -1.252 100 HA LEU 13 HA LEU 13 2.819 -3.128 -2.615 101 HB2 LEU 13 HB2 LEU 13 2.681 -1.086 -4.332 102 HB3 LEU 13 HB1 LEU 13 1.432 -2.305 -4.204 103 HG LEU 13 HG LEU 13 0.922 -0.122 -2.377 104 HD11 LEU 13 1HD1 LEU 13 0.608 0.802 -5.166 105 HD12 LEU 13 2HD1 LEU 13 2.237 0.859 -4.492 106 HD13 LEU 13 3HD1 LEU 13 0.921 1.719 -3.693 107 HD21 LEU 13 1HD2 LEU 13 -1.245 -0.163 -3.518 108 HD22 LEU 13 2HD2 LEU 13 -0.717 -1.794 -3.116 109 HD23 LEU 13 3HD2 LEU 13 -0.573 -1.203 -4.771 110 H GLY 14 HN GLY 14 2.997 -0.006 -1.053 111 HA2 GLY 14 HA2 GLY 14 5.639 0.617 -1.990 112 HA3 GLY 14 HA1 GLY 14 4.806 1.377 -0.636 113 H ARG 15 HN ARG 15 4.402 -1.609 0.226 114 HA ARG 15 HA ARG 15 6.874 -1.747 1.804 115 HB2 ARG 15 HB2 ARG 15 4.086 -2.765 2.201 116 HB3 ARG 15 HB1 ARG 15 5.420 -3.549 3.036 117 HG2 ARG 15 HG2 ARG 15 4.523 -1.952 4.526 118 HG3 ARG 15 HG1 ARG 15 6.049 -1.290 3.936 119 HD2 ARG 15 HD2 ARG 15 4.627 -0.097 2.171 120 HD3 ARG 15 HD1 ARG 15 3.249 -0.508 3.186 121 HE ARG 15 HE ARG 15 5.139 1.564 3.638 122 HH11 ARG 15 1HH1 ARG 15 3.161 -0.779 5.301 123 HH12 ARG 15 2HH1 ARG 15 3.043 0.162 6.749 124 HH21 ARG 15 1HH2 ARG 15 4.989 2.803 5.541 125 HH22 ARG 15 2HH2 ARG 15 4.081 2.196 6.886 126 H VAL 16 HN VAL 16 6.680 -2.572 -0.988 127 HA VAL 16 HA VAL 16 7.209 -5.460 -0.720 128 HB VAL 16 HB VAL 16 5.322 -4.630 -2.344 129 HG11 VAL 16 1HG1 VAL 16 6.097 -4.179 -4.624 130 HG12 VAL 16 2HG1 VAL 16 7.762 -4.134 -4.047 131 HG13 VAL 16 3HG1 VAL 16 6.608 -2.919 -3.504 132 HG21 VAL 16 1HG2 VAL 16 7.398 -6.517 -3.431 133 HG22 VAL 16 2HG2 VAL 16 5.661 -6.529 -3.734 134 HG23 VAL 16 3HG2 VAL 16 6.280 -6.933 -2.133 135 H ILE 17 HN ILE 17 8.057 -2.474 -2.325 136 HA ILE 17 HA ILE 17 10.835 -3.008 -1.856 137 HB ILE 17 HB ILE 17 9.851 -2.516 -4.682 138 HG12 ILE 17 2HG1 ILE 17 9.610 -4.866 -3.948 139 HG13 ILE 17 1HG1 ILE 17 10.819 -4.690 -5.216 140 HG21 ILE 17 1HG2 ILE 17 11.811 -1.390 -4.770 141 HG22 ILE 17 2HG2 ILE 17 12.474 -3.013 -4.960 142 HG23 ILE 17 3HG2 ILE 17 12.485 -2.236 -3.377 143 HD11 ILE 17 1HD1 ILE 17 11.127 -5.996 -2.804 144 HD12 ILE 17 2HD1 ILE 17 11.991 -4.474 -2.585 145 HD13 ILE 17 3HD1 ILE 17 12.408 -5.539 -3.927 146 HA PRO 18 HA PRO 18 9.598 1.298 -1.409 147 HB2 PRO 18 HB2 PRO 18 10.335 1.216 1.333 148 HB3 PRO 18 HB1 PRO 18 8.696 1.181 0.682 149 HG2 PRO 18 HG2 PRO 18 9.930 -0.913 2.029 150 HG3 PRO 18 HG1 PRO 18 8.524 -1.079 0.962 151 HD2 PRO 18 HD2 PRO 18 11.390 -1.433 0.332 152 HD3 PRO 18 HD1 PRO 18 10.055 -2.480 -0.128 153 H LYS 19 HN LYS 19 10.995 2.958 -0.158 154 HA LYS 19 HA LYS 19 13.564 2.980 -1.340 155 HB2 LYS 19 HB2 LYS 19 13.870 5.127 -0.300 156 HB3 LYS 19 HB1 LYS 19 12.221 5.025 -0.896 157 HG2 LYS 19 HG2 LYS 19 11.428 5.486 1.115 158 HG3 LYS 19 HG1 LYS 19 12.276 4.099 1.800 159 HD2 LYS 19 HD2 LYS 19 14.188 6.148 1.327 160 HD3 LYS 19 HD1 LYS 19 12.812 6.874 2.157 161 HE2 LYS 19 HE2 LYS 19 13.481 5.988 4.079 162 HE3 LYS 19 HE1 LYS 19 13.394 4.370 3.386 163 HZ1 LYS 19 HZ1 LYS 19 15.726 6.200 3.202 164 HZ2 LYS 19 HZ2 LYS 19 15.644 4.639 2.556 165 HZ3 LYS 19 HZ3 LYS 19 15.604 4.863 4.232 166 H VAL 20 HN VAL 20 12.358 2.067 1.793 167 HA VAL 20 HA VAL 20 13.340 1.092 3.599 168 HB VAL 20 HB VAL 20 15.697 0.569 1.787 169 HG11 VAL 20 1HG1 VAL 20 16.426 -0.066 3.862 170 HG12 VAL 20 2HG1 VAL 20 15.639 -1.555 3.340 171 HG13 VAL 20 3HG1 VAL 20 14.804 -0.454 4.436 172 HG21 VAL 20 1HG2 VAL 20 14.175 -0.512 0.522 173 HG22 VAL 20 2HG2 VAL 20 12.984 -0.574 1.822 174 HG23 VAL 20 3HG2 VAL 20 14.301 -1.746 1.777 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -15.419 -1.923 2.196 2 H2 GLY 1 HT2 GLY 1 -14.638 -3.328 2.722 3 H3 GLY 1 HT3 GLY 1 -15.646 -3.379 1.364 4 HA2 GLY 1 HA1 GLY 1 -13.427 -1.497 1.261 5 HA3 GLY 1 HA2 GLY 1 -13.010 -3.203 1.191 6 H LEU 2 HN LEU 2 -13.212 -0.764 -0.751 7 HA LEU 2 HA LEU 2 -13.359 -2.060 -3.141 8 HB2 LEU 2 HB2 LEU 2 -15.955 -1.994 -2.025 9 HB3 LEU 2 HB1 LEU 2 -15.950 -0.801 -3.306 10 HG LEU 2 HG LEU 2 -16.730 -2.973 -4.109 11 HD11 LEU 2 1HD1 LEU 2 -14.052 -2.652 -5.370 12 HD12 LEU 2 2HD1 LEU 2 -15.199 -1.314 -5.442 13 HD13 LEU 2 3HD1 LEU 2 -15.633 -2.884 -6.116 14 HD21 LEU 2 1HD2 LEU 2 -14.089 -3.891 -3.036 15 HD22 LEU 2 2HD2 LEU 2 -14.876 -4.751 -4.360 16 HD23 LEU 2 3HD2 LEU 2 -15.692 -4.589 -2.805 17 H GLY 3 HN GLY 3 -11.717 -0.367 -3.070 18 HA2 GLY 3 HA2 GLY 3 -11.105 1.542 -4.343 19 HA3 GLY 3 HA1 GLY 3 -12.762 2.121 -4.220 20 H SER 4 HN SER 4 -12.844 1.524 -1.327 21 HA SER 4 HA SER 4 -11.696 4.015 -0.400 22 HB2 SER 4 HB2 SER 4 -12.945 2.131 1.530 23 HB3 SER 4 HB1 SER 4 -13.163 3.872 1.355 24 HG SER 4 HG SER 4 -14.328 3.280 -0.653 25 H VAL 5 HN VAL 5 -11.141 0.614 -0.226 26 HA VAL 5 HA VAL 5 -9.245 0.608 1.909 27 HB VAL 5 HB VAL 5 -9.393 -1.354 -0.333 28 HG11 VAL 5 1HG1 VAL 5 -7.553 -1.408 1.434 29 HG12 VAL 5 2HG1 VAL 5 -8.435 -2.908 1.148 30 HG13 VAL 5 3HG1 VAL 5 -8.813 -1.918 2.558 31 HG21 VAL 5 1HG2 VAL 5 -11.384 -0.814 1.755 32 HG22 VAL 5 2HG2 VAL 5 -10.932 -2.510 1.580 33 HG23 VAL 5 3HG2 VAL 5 -11.566 -1.618 0.196 34 H PHE 6 HN PHE 6 -9.212 1.309 -1.456 35 HA PHE 6 HA PHE 6 -6.735 0.749 -2.386 36 HB2 PHE 6 HB2 PHE 6 -7.261 2.193 -4.045 37 HB3 PHE 6 HB1 PHE 6 -8.796 2.350 -3.195 38 HD1 PHE 6 HD1 PHE 6 -5.916 4.052 -4.404 39 HD2 PHE 6 HD2 PHE 6 -8.989 4.231 -1.466 40 HE1 PHE 6 HE1 PHE 6 -5.503 6.461 -4.124 41 HE2 PHE 6 HE2 PHE 6 -8.585 6.641 -1.183 42 HZ PHE 6 HZ PHE 6 -6.839 7.759 -2.512 43 H GLY 7 HN GLY 7 -7.537 2.922 0.166 44 HA2 GLY 7 HA2 GLY 7 -5.092 4.415 0.187 45 HA3 GLY 7 HA1 GLY 7 -6.264 4.320 1.496 46 H ARG 8 HN ARG 8 -6.261 1.554 1.892 47 HA ARG 8 HA ARG 8 -3.982 1.256 3.560 48 HB2 ARG 8 HB2 ARG 8 -5.513 -1.169 2.792 49 HB3 ARG 8 HB1 ARG 8 -4.994 -0.627 4.379 50 HG2 ARG 8 HG2 ARG 8 -7.375 0.331 2.808 51 HG3 ARG 8 HG1 ARG 8 -7.372 -0.586 4.314 52 HD2 ARG 8 HD2 ARG 8 -6.019 2.074 4.213 53 HD3 ARG 8 HD1 ARG 8 -7.776 1.997 4.335 54 HE ARG 8 HE ARG 8 -6.352 0.377 6.250 55 HH11 ARG 8 1HH1 ARG 8 -7.768 3.496 5.588 56 HH12 ARG 8 2HH1 ARG 8 -7.978 3.894 7.260 57 HH21 ARG 8 1HH2 ARG 8 -6.627 0.899 8.449 58 HH22 ARG 8 2HH2 ARG 8 -7.330 2.421 8.884 59 H LEU 9 HN LEU 9 -5.026 -0.458 0.609 60 HA LEU 9 HA LEU 9 -2.765 -2.053 0.291 61 HB2 LEU 9 HB2 LEU 9 -4.740 -0.917 -1.665 62 HB3 LEU 9 HB1 LEU 9 -3.403 -1.913 -2.207 63 HG LEU 9 HG LEU 9 -4.359 -3.569 -0.362 64 HD11 LEU 9 1HD1 LEU 9 -6.512 -1.605 -0.835 65 HD12 LEU 9 2HD1 LEU 9 -6.185 -2.620 0.570 66 HD13 LEU 9 3HD1 LEU 9 -6.979 -3.306 -0.848 67 HD21 LEU 9 1HD2 LEU 9 -4.242 -3.570 -3.040 68 HD22 LEU 9 2HD2 LEU 9 -5.992 -3.551 -2.822 69 HD23 LEU 9 3HD2 LEU 9 -5.029 -4.842 -2.105 70 H ALA 10 HN ALA 10 -3.294 1.301 -0.495 71 HA ALA 10 HA ALA 10 -1.333 1.901 -2.303 72 HB1 ALA 10 HB1 ALA 10 -2.070 3.561 0.100 73 HB2 ALA 10 HB2 ALA 10 -2.951 3.517 -1.427 74 HB3 ALA 10 HB3 ALA 10 -1.303 4.142 -1.378 75 H ARG 11 HN ARG 11 -0.868 0.821 0.933 76 HA ARG 11 HA ARG 11 1.846 1.781 1.089 77 HB2 ARG 11 HB2 ARG 11 1.855 1.032 3.330 78 HB3 ARG 11 HB1 ARG 11 0.258 1.714 3.064 79 HG2 ARG 11 HG2 ARG 11 -0.329 -0.799 2.496 80 HG3 ARG 11 HG1 ARG 11 1.071 -1.102 3.524 81 HD2 ARG 11 HD2 ARG 11 -1.393 0.475 4.255 82 HD3 ARG 11 HD1 ARG 11 -0.962 -1.130 4.843 83 HE ARG 11 HE ARG 11 1.025 0.875 5.385 84 HH11 ARG 11 1HH1 ARG 11 -1.908 -0.632 6.530 85 HH12 ARG 11 2HH1 ARG 11 -1.626 -0.210 8.185 86 HH21 ARG 11 1HH2 ARG 11 1.397 1.429 7.562 87 HH22 ARG 11 2HH2 ARG 11 0.250 0.960 8.771 88 H ILE 12 HN ILE 12 0.145 -1.345 0.787 89 HA ILE 12 HA ILE 12 2.367 -3.000 0.992 90 HB ILE 12 HB ILE 12 1.189 -4.636 -0.386 91 HG12 ILE 12 2HG1 ILE 12 -1.229 -2.920 -0.571 92 HG13 ILE 12 1HG1 ILE 12 0.064 -2.600 -1.720 93 HG21 ILE 12 1HG2 ILE 12 -1.043 -4.436 1.085 94 HG22 ILE 12 2HG2 ILE 12 -0.016 -3.290 1.946 95 HG23 ILE 12 3HG2 ILE 12 0.506 -4.962 1.743 96 HD11 ILE 12 1HD1 ILE 12 -0.668 -4.257 -2.976 97 HD12 ILE 12 2HD1 ILE 12 -1.923 -4.620 -1.790 98 HD13 ILE 12 3HD1 ILE 12 -0.342 -5.392 -1.666 99 H LEU 13 HN LEU 13 1.251 -1.075 -1.691 100 HA LEU 13 HA LEU 13 2.986 -2.212 -3.643 101 HB2 LEU 13 HB2 LEU 13 2.681 0.334 -4.546 102 HB3 LEU 13 HB1 LEU 13 1.559 -0.972 -4.865 103 HG LEU 13 HG LEU 13 1.063 0.549 -2.384 104 HD11 LEU 13 1HD1 LEU 13 0.257 1.811 -4.976 105 HD12 LEU 13 2HD1 LEU 13 1.796 2.214 -4.215 106 HD13 LEU 13 3HD1 LEU 13 0.284 2.507 -3.356 107 HD21 LEU 13 1HD2 LEU 13 -1.218 0.203 -3.009 108 HD22 LEU 13 2HD2 LEU 13 -0.354 -1.303 -3.310 109 HD23 LEU 13 3HD2 LEU 13 -0.760 -0.236 -4.653 110 H GLY 14 HN GLY 14 3.272 0.115 -1.102 111 HA2 GLY 14 HA2 GLY 14 5.962 0.888 -1.993 112 HA3 GLY 14 HA1 GLY 14 5.054 1.623 -0.677 113 H ARG 15 HN ARG 15 4.431 -1.370 0.038 114 HA ARG 15 HA ARG 15 6.793 -1.687 1.761 115 HB2 ARG 15 HB2 ARG 15 3.933 -2.543 1.967 116 HB3 ARG 15 HB1 ARG 15 5.162 -3.450 2.837 117 HG2 ARG 15 HG2 ARG 15 4.364 -1.893 4.379 118 HG3 ARG 15 HG1 ARG 15 5.890 -1.211 3.810 119 HD2 ARG 15 HD2 ARG 15 4.599 0.167 2.192 120 HD3 ARG 15 HD1 ARG 15 3.114 -0.442 2.922 121 HE ARG 15 HE ARG 15 4.433 0.569 5.040 122 HH11 ARG 15 1HH1 ARG 15 3.658 1.888 1.902 123 HH12 ARG 15 2HH1 ARG 15 3.588 3.523 2.469 124 HH21 ARG 15 1HH2 ARG 15 4.341 2.719 5.786 125 HH22 ARG 15 2HH2 ARG 15 3.977 3.995 4.673 126 H VAL 16 HN VAL 16 6.710 -2.436 -1.064 127 HA VAL 16 HA VAL 16 7.079 -5.355 -0.846 128 HB VAL 16 HB VAL 16 5.330 -4.826 -2.477 129 HG11 VAL 16 1HG1 VAL 16 5.618 -3.425 -4.342 130 HG12 VAL 16 2HG1 VAL 16 7.362 -3.326 -4.101 131 HG13 VAL 16 3HG1 VAL 16 6.270 -2.521 -2.977 132 HG21 VAL 16 1HG2 VAL 16 7.942 -5.857 -3.525 133 HG22 VAL 16 2HG2 VAL 16 6.508 -5.791 -4.549 134 HG23 VAL 16 3HG2 VAL 16 6.494 -6.755 -3.072 135 H ILE 17 HN ILE 17 8.142 -2.385 -2.358 136 HA ILE 17 HA ILE 17 10.873 -3.076 -1.802 137 HB ILE 17 HB ILE 17 10.021 -2.421 -4.637 138 HG12 ILE 17 2HG1 ILE 17 9.540 -4.768 -4.000 139 HG13 ILE 17 1HG1 ILE 17 10.783 -4.648 -5.241 140 HG21 ILE 17 1HG2 ILE 17 12.075 -1.495 -4.643 141 HG22 ILE 17 2HG2 ILE 17 12.603 -3.167 -4.824 142 HG23 ILE 17 3HG2 ILE 17 12.609 -2.408 -3.232 143 HD11 ILE 17 1HD1 ILE 17 10.943 -6.128 -2.950 144 HD12 ILE 17 2HD1 ILE 17 11.862 -4.680 -2.538 145 HD13 ILE 17 3HD1 ILE 17 12.306 -5.634 -3.953 146 HA PRO 18 HA PRO 18 9.841 1.279 -1.287 147 HB2 PRO 18 HB2 PRO 18 10.478 1.091 1.475 148 HB3 PRO 18 HB1 PRO 18 8.864 1.166 0.769 149 HG2 PRO 18 HG2 PRO 18 9.925 -1.026 2.103 150 HG3 PRO 18 HG1 PRO 18 8.555 -1.089 0.981 151 HD2 PRO 18 HD2 PRO 18 11.421 -1.584 0.449 152 HD3 PRO 18 HD1 PRO 18 10.050 -2.547 -0.086 153 H LYS 19 HN LYS 19 11.273 2.830 0.056 154 HA LYS 19 HA LYS 19 13.881 2.763 -1.034 155 HB2 LYS 19 HB2 LYS 19 14.262 4.844 0.147 156 HB3 LYS 19 HB1 LYS 19 12.664 4.865 -0.586 157 HG2 LYS 19 HG2 LYS 19 11.682 5.186 1.374 158 HG3 LYS 19 HG1 LYS 19 12.549 3.833 2.103 159 HD2 LYS 19 HD2 LYS 19 14.279 6.121 1.668 160 HD3 LYS 19 HD1 LYS 19 12.890 6.529 2.678 161 HE2 LYS 19 HE2 LYS 19 14.148 5.723 4.352 162 HE3 LYS 19 HE1 LYS 19 13.643 4.147 3.745 163 HZ1 LYS 19 HZ1 LYS 19 15.657 4.016 2.447 164 HZ2 LYS 19 HZ2 LYS 19 16.048 4.292 4.070 165 HZ3 LYS 19 HZ3 LYS 19 16.133 5.559 2.953 166 H VAL 20 HN VAL 20 12.523 1.753 1.999 167 HA VAL 20 HA VAL 20 13.398 0.681 3.805 168 HB VAL 20 HB VAL 20 15.843 0.161 2.115 169 HG11 VAL 20 1HG1 VAL 20 16.452 -1.364 3.656 170 HG12 VAL 20 2HG1 VAL 20 14.791 -1.867 3.969 171 HG13 VAL 20 3HG1 VAL 20 15.428 -0.407 4.726 172 HG21 VAL 20 1HG2 VAL 20 14.389 -0.784 0.674 173 HG22 VAL 20 2HG2 VAL 20 13.096 -0.872 1.871 174 HG23 VAL 20 3HG2 VAL 20 14.370 -2.091 1.859 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -15.184 -1.912 2.665 2 H2 GLY 1 HT2 GLY 1 -15.287 -3.492 2.070 3 H3 GLY 1 HT3 GLY 1 -16.066 -2.230 1.257 4 HA2 GLY 1 HA1 GLY 1 -13.605 -1.279 1.206 5 HA3 GLY 1 HA2 GLY 1 -13.254 -3.001 1.247 6 H LEU 2 HN LEU 2 -13.224 -0.672 -0.832 7 HA LEU 2 HA LEU 2 -13.288 -2.079 -3.158 8 HB2 LEU 2 HB2 LEU 2 -15.944 -1.873 -2.205 9 HB3 LEU 2 HB1 LEU 2 -15.822 -0.756 -3.546 10 HG LEU 2 HG LEU 2 -16.630 -2.949 -4.268 11 HD11 LEU 2 1HD1 LEU 2 -13.912 -2.864 -5.433 12 HD12 LEU 2 2HD1 LEU 2 -14.889 -1.401 -5.556 13 HD13 LEU 2 3HD1 LEU 2 -15.487 -2.920 -6.224 14 HD21 LEU 2 1HD2 LEU 2 -14.096 -3.874 -2.977 15 HD22 LEU 2 2HD2 LEU 2 -14.791 -4.777 -4.323 16 HD23 LEU 2 3HD2 LEU 2 -15.726 -4.534 -2.847 17 H GLY 3 HN GLY 3 -11.601 -0.404 -3.011 18 HA2 GLY 3 HA2 GLY 3 -10.856 1.418 -4.354 19 HA3 GLY 3 HA1 GLY 3 -12.503 2.039 -4.368 20 H SER 4 HN SER 4 -12.786 1.574 -1.466 21 HA SER 4 HA SER 4 -11.642 4.080 -0.571 22 HB2 SER 4 HB2 SER 4 -13.086 2.287 1.321 23 HB3 SER 4 HB1 SER 4 -13.205 4.034 1.114 24 HG SER 4 HG SER 4 -14.259 3.467 -0.966 25 H VAL 5 HN VAL 5 -11.162 0.685 -0.253 26 HA VAL 5 HA VAL 5 -9.428 0.711 2.020 27 HB VAL 5 HB VAL 5 -9.444 -1.326 -0.158 28 HG11 VAL 5 1HG1 VAL 5 -7.907 -1.183 2.047 29 HG12 VAL 5 2HG1 VAL 5 -8.375 -2.703 1.285 30 HG13 VAL 5 3HG1 VAL 5 -9.270 -2.105 2.682 31 HG21 VAL 5 1HG2 VAL 5 -11.604 -0.655 1.703 32 HG22 VAL 5 2HG2 VAL 5 -11.168 -2.363 1.684 33 HG23 VAL 5 3HG2 VAL 5 -11.653 -1.560 0.191 34 H PHE 6 HN PHE 6 -9.148 1.344 -1.335 35 HA PHE 6 HA PHE 6 -6.645 0.687 -2.109 36 HB2 PHE 6 HB2 PHE 6 -6.967 2.179 -3.789 37 HB3 PHE 6 HB1 PHE 6 -8.575 2.317 -3.085 38 HD1 PHE 6 HD1 PHE 6 -5.613 4.056 -4.003 39 HD2 PHE 6 HD2 PHE 6 -8.932 4.165 -1.343 40 HE1 PHE 6 HE1 PHE 6 -5.243 6.462 -3.647 41 HE2 PHE 6 HE2 PHE 6 -8.571 6.571 -0.984 42 HZ PHE 6 HZ PHE 6 -6.724 7.723 -2.135 43 H GLY 7 HN GLY 7 -7.502 2.910 0.385 44 HA2 GLY 7 HA2 GLY 7 -5.107 4.405 0.556 45 HA3 GLY 7 HA1 GLY 7 -6.242 4.136 1.874 46 H ARG 8 HN ARG 8 -6.099 1.335 1.978 47 HA ARG 8 HA ARG 8 -3.705 1.005 3.510 48 HB2 ARG 8 HB2 ARG 8 -6.167 -0.529 2.996 49 HB3 ARG 8 HB1 ARG 8 -4.739 -1.512 3.286 50 HG2 ARG 8 HG2 ARG 8 -5.334 -1.293 5.435 51 HG3 ARG 8 HG1 ARG 8 -4.520 0.267 5.301 52 HD2 ARG 8 HD2 ARG 8 -7.100 0.721 4.354 53 HD3 ARG 8 HD1 ARG 8 -7.314 -0.327 5.755 54 HE ARG 8 HE ARG 8 -5.528 1.726 6.429 55 HH11 ARG 8 1HH1 ARG 8 -8.900 1.288 5.648 56 HH12 ARG 8 2HH1 ARG 8 -9.425 2.639 6.597 57 HH21 ARG 8 1HH2 ARG 8 -6.215 3.504 7.677 58 HH22 ARG 8 2HH2 ARG 8 -7.900 3.898 7.748 59 H LEU 9 HN LEU 9 -4.999 -0.604 0.591 60 HA LEU 9 HA LEU 9 -2.814 -2.196 -0.006 61 HB2 LEU 9 HB2 LEU 9 -4.815 -0.820 -1.780 62 HB3 LEU 9 HB1 LEU 9 -3.567 -1.861 -2.437 63 HG LEU 9 HG LEU 9 -4.643 -3.484 -0.531 64 HD11 LEU 9 1HD1 LEU 9 -6.425 -1.447 -0.522 65 HD12 LEU 9 2HD1 LEU 9 -6.820 -3.119 -0.124 66 HD13 LEU 9 3HD1 LEU 9 -7.128 -2.502 -1.747 67 HD21 LEU 9 1HD2 LEU 9 -4.970 -3.137 -3.450 68 HD22 LEU 9 2HD2 LEU 9 -6.113 -4.211 -2.643 69 HD23 LEU 9 3HD2 LEU 9 -4.381 -4.521 -2.528 70 H ALA 10 HN ALA 10 -3.324 1.211 -0.655 71 HA ALA 10 HA ALA 10 -1.341 1.806 -2.457 72 HB1 ALA 10 HB1 ALA 10 -2.473 3.363 -0.163 73 HB2 ALA 10 HB2 ALA 10 -2.782 3.543 -1.890 74 HB3 ALA 10 HB3 ALA 10 -1.232 4.044 -1.215 75 H ARG 11 HN ARG 11 -0.938 0.768 0.801 76 HA ARG 11 HA ARG 11 1.758 1.766 1.001 77 HB2 ARG 11 HB2 ARG 11 1.703 1.185 3.249 78 HB3 ARG 11 HB1 ARG 11 0.039 1.637 2.921 79 HG2 ARG 11 HG2 ARG 11 -0.270 -0.920 2.496 80 HG3 ARG 11 HG1 ARG 11 1.203 -1.053 3.456 81 HD2 ARG 11 HD2 ARG 11 -1.322 0.358 4.312 82 HD3 ARG 11 HD1 ARG 11 -0.830 -1.255 4.825 83 HE ARG 11 HE ARG 11 1.098 0.830 5.352 84 HH11 ARG 11 1HH1 ARG 11 -1.626 -0.975 6.584 85 HH12 ARG 11 2HH1 ARG 11 -1.254 -0.643 8.241 86 HH21 ARG 11 1HH2 ARG 11 1.585 1.267 7.530 87 HH22 ARG 11 2HH2 ARG 11 0.568 0.630 8.779 88 H ILE 12 HN ILE 12 0.113 -1.388 0.699 89 HA ILE 12 HA ILE 12 2.356 -3.000 0.991 90 HB ILE 12 HB ILE 12 1.244 -4.684 -0.366 91 HG12 ILE 12 2HG1 ILE 12 -1.214 -3.088 -0.727 92 HG13 ILE 12 1HG1 ILE 12 0.129 -2.641 -1.769 93 HG21 ILE 12 1HG2 ILE 12 -0.950 -3.543 1.284 94 HG22 ILE 12 2HG2 ILE 12 0.581 -3.933 2.070 95 HG23 ILE 12 3HG2 ILE 12 -0.321 -5.190 1.223 96 HD11 ILE 12 1HD1 ILE 12 -0.469 -4.278 -3.123 97 HD12 ILE 12 2HD1 ILE 12 -1.670 -4.855 -1.968 98 HD13 ILE 12 3HD1 ILE 12 -0.005 -5.428 -1.869 99 H LEU 13 HN LEU 13 1.291 -1.123 -1.752 100 HA LEU 13 HA LEU 13 3.101 -2.259 -3.636 101 HB2 LEU 13 HB2 LEU 13 2.807 0.278 -4.569 102 HB3 LEU 13 HB1 LEU 13 1.712 -1.041 -4.922 103 HG LEU 13 HG LEU 13 1.100 0.489 -2.475 104 HD11 LEU 13 1HD1 LEU 13 -0.131 2.089 -4.254 105 HD12 LEU 13 2HD1 LEU 13 1.371 1.764 -5.119 106 HD13 LEU 13 3HD1 LEU 13 1.419 2.471 -3.504 107 HD21 LEU 13 1HD2 LEU 13 -1.159 0.156 -3.238 108 HD22 LEU 13 2HD2 LEU 13 -0.280 -1.362 -3.402 109 HD23 LEU 13 3HD2 LEU 13 -0.590 -0.366 -4.823 110 H GLY 14 HN GLY 14 3.270 0.109 -1.121 111 HA2 GLY 14 HA2 GLY 14 5.985 0.890 -1.923 112 HA3 GLY 14 HA1 GLY 14 5.025 1.634 -0.651 113 H ARG 15 HN ARG 15 4.382 -1.322 0.133 114 HA ARG 15 HA ARG 15 6.721 -1.611 1.894 115 HB2 ARG 15 HB2 ARG 15 3.853 -2.453 2.094 116 HB3 ARG 15 HB1 ARG 15 5.075 -3.311 3.021 117 HG2 ARG 15 HG2 ARG 15 4.292 -1.703 4.497 118 HG3 ARG 15 HG1 ARG 15 5.778 -0.992 3.863 119 HD2 ARG 15 HD2 ARG 15 4.454 0.307 2.254 120 HD3 ARG 15 HD1 ARG 15 2.978 -0.391 2.916 121 HE ARG 15 HE ARG 15 3.093 1.115 4.625 122 HH11 ARG 15 1HH1 ARG 15 6.257 0.862 3.175 123 HH12 ARG 15 2HH1 ARG 15 6.933 2.139 4.129 124 HH21 ARG 15 1HH2 ARG 15 3.980 2.793 5.881 125 HH22 ARG 15 2HH2 ARG 15 5.641 3.234 5.667 126 H VAL 16 HN VAL 16 6.653 -2.439 -0.910 127 HA VAL 16 HA VAL 16 6.997 -5.352 -0.596 128 HB VAL 16 HB VAL 16 5.259 -4.868 -2.251 129 HG11 VAL 16 1HG1 VAL 16 5.559 -3.533 -4.157 130 HG12 VAL 16 2HG1 VAL 16 7.304 -3.440 -3.919 131 HG13 VAL 16 3HG1 VAL 16 6.219 -2.588 -2.823 132 HG21 VAL 16 1HG2 VAL 16 7.113 -6.676 -2.550 133 HG22 VAL 16 2HG2 VAL 16 7.618 -5.661 -3.901 134 HG23 VAL 16 3HG2 VAL 16 5.990 -6.339 -3.867 135 H ILE 17 HN ILE 17 8.087 -2.451 -2.224 136 HA ILE 17 HA ILE 17 10.810 -3.111 -1.609 137 HB ILE 17 HB ILE 17 9.995 -2.610 -4.485 138 HG12 ILE 17 2HG1 ILE 17 9.511 -4.923 -3.734 139 HG13 ILE 17 1HG1 ILE 17 10.777 -4.866 -4.955 140 HG21 ILE 17 1HG2 ILE 17 12.047 -1.687 -4.523 141 HG22 ILE 17 2HG2 ILE 17 12.587 -3.366 -4.580 142 HG23 ILE 17 3HG2 ILE 17 12.556 -2.501 -3.043 143 HD11 ILE 17 1HD1 ILE 17 10.885 -6.192 -2.550 144 HD12 ILE 17 2HD1 ILE 17 11.840 -4.738 -2.261 145 HD13 ILE 17 3HD1 ILE 17 12.254 -5.814 -3.596 146 HA PRO 18 HA PRO 18 9.788 1.268 -1.346 147 HB2 PRO 18 HB2 PRO 18 10.446 1.255 1.415 148 HB3 PRO 18 HB1 PRO 18 8.825 1.270 0.721 149 HG2 PRO 18 HG2 PRO 18 9.935 -0.825 2.178 150 HG3 PRO 18 HG1 PRO 18 8.540 -0.965 1.096 151 HD2 PRO 18 HD2 PRO 18 11.391 -1.493 0.537 152 HD3 PRO 18 HD1 PRO 18 10.008 -2.478 0.079 153 H LYS 19 HN LYS 19 11.233 2.903 -0.120 154 HA LYS 19 HA LYS 19 13.814 2.803 -1.243 155 HB2 LYS 19 HB2 LYS 19 14.230 4.909 -0.086 156 HB3 LYS 19 HB1 LYS 19 12.642 4.921 -0.841 157 HG2 LYS 19 HG2 LYS 19 11.635 5.290 1.099 158 HG3 LYS 19 HG1 LYS 19 12.489 3.952 1.871 159 HD2 LYS 19 HD2 LYS 19 14.191 6.272 1.383 160 HD3 LYS 19 HD1 LYS 19 12.822 6.628 2.438 161 HE2 LYS 19 HE2 LYS 19 14.133 5.832 4.072 162 HE3 LYS 19 HE1 LYS 19 13.687 4.247 3.442 163 HZ1 LYS 19 HZ1 LYS 19 15.678 4.203 2.131 164 HZ2 LYS 19 HZ2 LYS 19 16.099 4.535 3.735 165 HZ3 LYS 19 HZ3 LYS 19 16.084 5.780 2.590 166 H VAL 20 HN VAL 20 12.548 1.914 1.873 167 HA VAL 20 HA VAL 20 13.474 0.858 3.663 168 HB VAL 20 HB VAL 20 15.875 0.331 1.913 169 HG11 VAL 20 1HG1 VAL 20 16.471 -0.363 4.026 170 HG12 VAL 20 2HG1 VAL 20 15.743 -1.831 3.374 171 HG13 VAL 20 3HG1 VAL 20 14.820 -0.799 4.466 172 HG21 VAL 20 1HG2 VAL 20 14.373 -0.657 0.548 173 HG22 VAL 20 2HG2 VAL 20 13.135 -0.748 1.801 174 HG23 VAL 20 3HG2 VAL 20 14.431 -1.943 1.754 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -15.363 -0.983 0.493 2 H2 GLY 1 HT2 GLY 1 -15.859 -2.099 1.664 3 H3 GLY 1 HT3 GLY 1 -16.127 -2.419 0.025 4 HA2 GLY 1 HA1 GLY 1 -13.419 -2.095 1.180 5 HA3 GLY 1 HA2 GLY 1 -14.222 -3.653 1.070 6 H LEU 2 HN LEU 2 -13.281 -0.864 -0.919 7 HA LEU 2 HA LEU 2 -12.102 -2.567 -2.899 8 HB2 LEU 2 HB2 LEU 2 -14.712 -1.177 -3.437 9 HB3 LEU 2 HB1 LEU 2 -13.577 -1.487 -4.736 10 HG LEU 2 HG LEU 2 -14.993 -3.531 -3.030 11 HD11 LEU 2 1HD1 LEU 2 -15.634 -4.255 -5.443 12 HD12 LEU 2 2HD1 LEU 2 -15.214 -2.592 -5.852 13 HD13 LEU 2 3HD1 LEU 2 -16.484 -2.915 -4.671 14 HD21 LEU 2 1HD2 LEU 2 -12.739 -4.316 -3.375 15 HD22 LEU 2 2HD2 LEU 2 -12.828 -3.924 -5.092 16 HD23 LEU 2 3HD2 LEU 2 -13.832 -5.213 -4.427 17 H GLY 3 HN GLY 3 -13.651 0.614 -3.216 18 HA2 GLY 3 HA2 GLY 3 -11.112 1.750 -4.073 19 HA3 GLY 3 HA1 GLY 3 -12.679 2.547 -4.113 20 H SER 4 HN SER 4 -12.906 1.508 -1.181 21 HA SER 4 HA SER 4 -11.877 3.940 0.004 22 HB2 SER 4 HB2 SER 4 -13.080 1.773 1.669 23 HB3 SER 4 HB1 SER 4 -13.293 3.521 1.775 24 HG SER 4 HG SER 4 -14.457 3.258 -0.306 25 H VAL 5 HN VAL 5 -11.204 0.544 -0.079 26 HA VAL 5 HA VAL 5 -9.288 0.464 2.036 27 HB VAL 5 HB VAL 5 -9.413 -1.371 -0.315 28 HG11 VAL 5 1HG1 VAL 5 -7.653 -1.365 1.695 29 HG12 VAL 5 2HG1 VAL 5 -8.194 -2.848 0.909 30 HG13 VAL 5 3HG1 VAL 5 -8.918 -2.345 2.437 31 HG21 VAL 5 1HG2 VAL 5 -11.445 -0.931 1.717 32 HG22 VAL 5 2HG2 VAL 5 -10.901 -2.609 1.657 33 HG23 VAL 5 3HG2 VAL 5 -11.538 -1.835 0.205 34 H PHE 6 HN PHE 6 -9.272 1.192 -1.358 35 HA PHE 6 HA PHE 6 -6.743 0.784 -2.227 36 HB2 PHE 6 HB2 PHE 6 -7.413 2.065 -3.948 37 HB3 PHE 6 HB1 PHE 6 -8.911 2.302 -3.057 38 HD1 PHE 6 HD1 PHE 6 -6.131 3.887 -4.557 39 HD2 PHE 6 HD2 PHE 6 -8.948 4.290 -1.392 40 HE1 PHE 6 HE1 PHE 6 -5.687 6.306 -4.475 41 HE2 PHE 6 HE2 PHE 6 -8.511 6.709 -1.306 42 HZ PHE 6 HZ PHE 6 -6.879 7.721 -2.849 43 H GLY 7 HN GLY 7 -7.739 2.960 0.258 44 HA2 GLY 7 HA2 GLY 7 -5.444 4.651 0.285 45 HA3 GLY 7 HA1 GLY 7 -6.572 4.421 1.615 46 H ARG 8 HN ARG 8 -6.279 1.657 1.960 47 HA ARG 8 HA ARG 8 -3.862 1.595 3.496 48 HB2 ARG 8 HB2 ARG 8 -6.190 -0.211 3.083 49 HB3 ARG 8 HB1 ARG 8 -4.696 -0.940 3.655 50 HG2 ARG 8 HG2 ARG 8 -5.420 -0.412 5.692 51 HG3 ARG 8 HG1 ARG 8 -4.940 1.238 5.294 52 HD2 ARG 8 HD2 ARG 8 -7.574 0.570 4.265 53 HD3 ARG 8 HD1 ARG 8 -7.472 0.386 6.016 54 HE ARG 8 HE ARG 8 -6.345 2.801 5.598 55 HH11 ARG 8 1HH1 ARG 8 -9.366 1.387 4.573 56 HH12 ARG 8 2HH1 ARG 8 -10.206 2.901 4.533 57 HH21 ARG 8 1HH2 ARG 8 -7.450 4.795 5.545 58 HH22 ARG 8 2HH2 ARG 8 -9.118 4.833 5.083 59 H LEU 9 HN LEU 9 -5.083 -0.493 0.845 60 HA LEU 9 HA LEU 9 -2.880 -2.018 0.350 61 HB2 LEU 9 HB2 LEU 9 -5.020 -0.904 -1.374 62 HB3 LEU 9 HB1 LEU 9 -3.618 -1.568 -2.193 63 HG LEU 9 HG LEU 9 -4.157 -3.582 -0.465 64 HD11 LEU 9 1HD1 LEU 9 -6.690 -2.075 -0.919 65 HD12 LEU 9 2HD1 LEU 9 -6.115 -2.906 0.527 66 HD13 LEU 9 3HD1 LEU 9 -6.730 -3.836 -0.839 67 HD21 LEU 9 1HD2 LEU 9 -4.019 -3.311 -3.118 68 HD22 LEU 9 2HD2 LEU 9 -5.754 -3.585 -2.957 69 HD23 LEU 9 3HD2 LEU 9 -4.612 -4.777 -2.337 70 H ALA 10 HN ALA 10 -3.292 1.352 -0.373 71 HA ALA 10 HA ALA 10 -1.342 1.890 -2.225 72 HB1 ALA 10 HB1 ALA 10 -2.855 3.586 -1.461 73 HB2 ALA 10 HB2 ALA 10 -1.201 4.134 -1.186 74 HB3 ALA 10 HB3 ALA 10 -2.166 3.529 0.161 75 H ARG 11 HN ARG 11 -0.879 0.816 1.021 76 HA ARG 11 HA ARG 11 1.845 1.744 1.144 77 HB2 ARG 11 HB2 ARG 11 1.740 1.430 3.378 78 HB3 ARG 11 HB1 ARG 11 0.012 1.445 3.084 79 HG2 ARG 11 HG2 ARG 11 1.361 -1.192 2.951 80 HG3 ARG 11 HG1 ARG 11 1.234 -0.428 4.530 81 HD2 ARG 11 HD2 ARG 11 -1.004 -1.123 2.646 82 HD3 ARG 11 HD1 ARG 11 -0.677 -1.823 4.228 83 HE ARG 11 HE ARG 11 -1.784 0.836 3.694 84 HH11 ARG 11 1HH1 ARG 11 -0.826 -1.601 6.014 85 HH12 ARG 11 2HH1 ARG 11 -1.691 -0.872 7.323 86 HH21 ARG 11 1HH2 ARG 11 -2.921 1.790 5.423 87 HH22 ARG 11 2HH2 ARG 11 -2.879 1.049 6.989 88 H ILE 12 HN ILE 12 0.116 -1.364 0.909 89 HA ILE 12 HA ILE 12 2.330 -3.036 1.090 90 HB ILE 12 HB ILE 12 1.116 -4.677 -0.250 91 HG12 ILE 12 2HG1 ILE 12 -1.267 -2.899 -0.419 92 HG13 ILE 12 1HG1 ILE 12 0.004 -2.679 -1.614 93 HG21 ILE 12 1HG2 ILE 12 -1.090 -4.452 1.251 94 HG22 ILE 12 2HG2 ILE 12 -0.051 -3.296 2.085 95 HG23 ILE 12 3HG2 ILE 12 0.466 -4.972 1.897 96 HD11 ILE 12 1HD1 ILE 12 -2.078 -4.533 -1.660 97 HD12 ILE 12 2HD1 ILE 12 -0.613 -5.463 -1.339 98 HD13 ILE 12 3HD1 ILE 12 -0.706 -4.426 -2.762 99 H LEU 13 HN LEU 13 1.201 -1.125 -1.607 100 HA LEU 13 HA LEU 13 2.901 -2.335 -3.554 101 HB2 LEU 13 HB2 LEU 13 2.627 0.167 -4.543 102 HB3 LEU 13 HB1 LEU 13 1.460 -1.117 -4.785 103 HG LEU 13 HG LEU 13 1.031 0.481 -2.352 104 HD11 LEU 13 1HD1 LEU 13 -0.165 2.152 -4.081 105 HD12 LEU 13 2HD1 LEU 13 1.273 1.734 -5.012 106 HD13 LEU 13 3HD1 LEU 13 1.438 2.438 -3.404 107 HD21 LEU 13 1HD2 LEU 13 -1.259 0.251 -3.003 108 HD22 LEU 13 2HD2 LEU 13 -0.473 -1.301 -3.279 109 HD23 LEU 13 3HD2 LEU 13 -0.805 -0.227 -4.637 110 H GLY 14 HN GLY 14 3.227 0.055 -1.077 111 HA2 GLY 14 HA2 GLY 14 5.911 0.789 -2.018 112 HA3 GLY 14 HA1 GLY 14 5.027 1.551 -0.702 113 H ARG 15 HN ARG 15 4.411 -1.439 0.071 114 HA ARG 15 HA ARG 15 6.800 -1.709 1.766 115 HB2 ARG 15 HB2 ARG 15 3.948 -2.555 2.038 116 HB3 ARG 15 HB1 ARG 15 5.186 -3.475 2.880 117 HG2 ARG 15 HG2 ARG 15 4.454 -1.914 4.442 118 HG3 ARG 15 HG1 ARG 15 5.963 -1.237 3.824 119 HD2 ARG 15 HD2 ARG 15 4.699 0.210 2.313 120 HD3 ARG 15 HD1 ARG 15 3.192 -0.483 2.906 121 HE ARG 15 HE ARG 15 3.320 0.903 4.712 122 HH11 ARG 15 1HH1 ARG 15 6.497 0.668 3.290 123 HH12 ARG 15 2HH1 ARG 15 7.196 1.842 4.355 124 HH21 ARG 15 1HH2 ARG 15 4.236 2.446 6.112 125 HH22 ARG 15 2HH2 ARG 15 5.912 2.853 5.956 126 H VAL 16 HN VAL 16 6.682 -2.513 -1.041 127 HA VAL 16 HA VAL 16 7.079 -5.426 -0.767 128 HB VAL 16 HB VAL 16 5.301 -4.938 -2.389 129 HG11 VAL 16 1HG1 VAL 16 5.561 -3.586 -4.287 130 HG12 VAL 16 2HG1 VAL 16 7.311 -3.503 -4.095 131 HG13 VAL 16 3HG1 VAL 16 6.261 -2.648 -2.968 132 HG21 VAL 16 1HG2 VAL 16 7.713 -5.739 -3.982 133 HG22 VAL 16 2HG2 VAL 16 6.057 -6.332 -4.105 134 HG23 VAL 16 3HG2 VAL 16 7.052 -6.777 -2.718 135 H ILE 17 HN ILE 17 8.098 -2.481 -2.353 136 HA ILE 17 HA ILE 17 10.837 -3.130 -1.806 137 HB ILE 17 HB ILE 17 9.968 -2.562 -4.655 138 HG12 ILE 17 2HG1 ILE 17 9.535 -4.902 -3.955 139 HG13 ILE 17 1HG1 ILE 17 10.775 -4.791 -5.198 140 HG21 ILE 17 1HG2 ILE 17 12.005 -1.598 -4.685 141 HG22 ILE 17 2HG2 ILE 17 12.559 -3.265 -4.833 142 HG23 ILE 17 3HG2 ILE 17 12.561 -2.473 -3.258 143 HD11 ILE 17 1HD1 ILE 17 10.947 -6.165 -2.815 144 HD12 ILE 17 2HD1 ILE 17 11.905 -4.710 -2.537 145 HD13 ILE 17 3HD1 ILE 17 12.282 -5.766 -3.898 146 HA PRO 18 HA PRO 18 9.765 1.221 -1.383 147 HB2 PRO 18 HB2 PRO 18 10.445 1.108 1.372 148 HB3 PRO 18 HB1 PRO 18 8.819 1.139 0.690 149 HG2 PRO 18 HG2 PRO 18 9.942 -1.004 2.059 150 HG3 PRO 18 HG1 PRO 18 8.552 -1.114 0.965 151 HD2 PRO 18 HD2 PRO 18 11.413 -1.578 0.393 152 HD3 PRO 18 HD1 PRO 18 10.048 -2.574 -0.096 153 H LYS 19 HN LYS 19 11.189 2.825 -0.110 154 HA LYS 19 HA LYS 19 13.775 2.790 -1.237 155 HB2 LYS 19 HB2 LYS 19 14.144 4.885 -0.054 156 HB3 LYS 19 HB1 LYS 19 12.553 4.877 -0.802 157 HG2 LYS 19 HG2 LYS 19 11.528 5.152 1.146 158 HG3 LYS 19 HG1 LYS 19 12.469 3.870 1.910 159 HD2 LYS 19 HD2 LYS 19 14.121 6.181 1.443 160 HD3 LYS 19 HD1 LYS 19 12.673 6.635 2.342 161 HE2 LYS 19 HE2 LYS 19 13.823 5.960 4.143 162 HE3 LYS 19 HE1 LYS 19 13.413 4.333 3.604 163 HZ1 LYS 19 HZ1 LYS 19 15.522 4.288 2.373 164 HZ2 LYS 19 HZ2 LYS 19 15.758 4.482 4.037 165 HZ3 LYS 19 HZ3 LYS 19 15.919 5.809 3.001 166 H VAL 20 HN VAL 20 12.510 1.820 1.859 167 HA VAL 20 HA VAL 20 13.455 0.780 3.651 168 HB VAL 20 HB VAL 20 15.834 0.256 1.870 169 HG11 VAL 20 1HG1 VAL 20 16.364 -0.346 4.079 170 HG12 VAL 20 2HG1 VAL 20 15.883 -1.853 3.298 171 HG13 VAL 20 3HG1 VAL 20 14.759 -1.017 4.370 172 HG21 VAL 20 1HG2 VAL 20 14.305 -0.725 0.528 173 HG22 VAL 20 2HG2 VAL 20 13.096 -0.838 1.807 174 HG23 VAL 20 3HG2 VAL 20 14.402 -2.020 1.722 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -15.149 -1.105 1.877 2 H2 GLY 1 HT2 GLY 1 -15.159 -2.795 1.812 3 H3 GLY 1 HT3 GLY 1 -15.977 -1.900 0.633 4 HA2 GLY 1 HA1 GLY 1 -13.126 -1.374 0.941 5 HA3 GLY 1 HA2 GLY 1 -13.575 -2.918 0.231 6 H LEU 2 HN LEU 2 -12.507 -2.121 -1.704 7 HA LEU 2 HA LEU 2 -12.542 -1.292 -3.823 8 HB2 LEU 2 HB2 LEU 2 -15.475 -1.101 -3.157 9 HB3 LEU 2 HB1 LEU 2 -14.840 -0.625 -4.719 10 HG LEU 2 HG LEU 2 -15.808 -2.917 -4.672 11 HD11 LEU 2 1HD1 LEU 2 -13.507 -3.965 -5.534 12 HD12 LEU 2 2HD1 LEU 2 -13.055 -2.260 -5.516 13 HD13 LEU 2 3HD1 LEU 2 -14.441 -2.795 -6.467 14 HD21 LEU 2 1HD2 LEU 2 -14.761 -3.268 -2.291 15 HD22 LEU 2 2HD2 LEU 2 -13.387 -3.867 -3.221 16 HD23 LEU 2 3HD2 LEU 2 -14.970 -4.626 -3.397 17 H GLY 3 HN GLY 3 -11.223 0.463 -3.214 18 HA2 GLY 3 HA2 GLY 3 -10.925 2.773 -3.719 19 HA3 GLY 3 HA1 GLY 3 -12.622 3.042 -3.344 20 H SER 4 HN SER 4 -12.577 1.538 -0.877 21 HA SER 4 HA SER 4 -11.498 3.602 0.848 22 HB2 SER 4 HB2 SER 4 -12.773 1.056 1.825 23 HB3 SER 4 HB1 SER 4 -12.785 2.656 2.568 24 HG SER 4 HG SER 4 -14.193 1.812 0.257 25 H VAL 5 HN VAL 5 -10.963 0.258 0.031 26 HA VAL 5 HA VAL 5 -8.911 -0.243 1.963 27 HB VAL 5 HB VAL 5 -9.300 -1.687 -0.621 28 HG11 VAL 5 1HG1 VAL 5 -8.539 -2.862 2.035 29 HG12 VAL 5 2HG1 VAL 5 -7.342 -2.136 0.963 30 HG13 VAL 5 3HG1 VAL 5 -8.282 -3.526 0.421 31 HG21 VAL 5 1HG2 VAL 5 -11.434 -2.027 0.013 32 HG22 VAL 5 2HG2 VAL 5 -11.117 -1.549 1.680 33 HG23 VAL 5 3HG2 VAL 5 -10.731 -3.184 1.142 34 H PHE 6 HN PHE 6 -9.094 0.846 -1.359 35 HA PHE 6 HA PHE 6 -6.587 0.506 -2.347 36 HB2 PHE 6 HB2 PHE 6 -7.483 1.770 -3.966 37 HB3 PHE 6 HB1 PHE 6 -8.790 2.232 -2.883 38 HD1 PHE 6 HD1 PHE 6 -8.313 4.201 -1.281 39 HD2 PHE 6 HD2 PHE 6 -6.022 3.374 -4.769 40 HE1 PHE 6 HE1 PHE 6 -7.502 6.523 -1.292 41 HE2 PHE 6 HE2 PHE 6 -5.206 5.696 -4.788 42 HZ PHE 6 HZ PHE 6 -5.945 7.273 -3.048 43 H GLY 7 HN GLY 7 -7.531 2.510 0.302 44 HA2 GLY 7 HA2 GLY 7 -5.259 4.221 0.378 45 HA3 GLY 7 HA1 GLY 7 -6.339 3.878 1.725 46 H ARG 8 HN ARG 8 -5.974 1.066 1.755 47 HA ARG 8 HA ARG 8 -3.455 0.943 3.170 48 HB2 ARG 8 HB2 ARG 8 -5.641 -1.102 2.750 49 HB3 ARG 8 HB1 ARG 8 -4.198 -1.389 3.711 50 HG2 ARG 8 HG2 ARG 8 -5.637 -0.786 5.361 51 HG3 ARG 8 HG1 ARG 8 -5.005 0.806 4.937 52 HD2 ARG 8 HD2 ARG 8 -7.149 0.327 3.190 53 HD3 ARG 8 HD1 ARG 8 -7.697 -0.188 4.783 54 HE ARG 8 HE ARG 8 -7.070 2.506 3.934 55 HH11 ARG 8 1HH1 ARG 8 -7.621 0.360 6.634 56 HH12 ARG 8 2HH1 ARG 8 -8.029 1.639 7.727 57 HH21 ARG 8 1HH2 ARG 8 -7.609 4.187 5.373 58 HH22 ARG 8 2HH2 ARG 8 -8.022 3.811 7.012 59 H LEU 9 HN LEU 9 -4.965 -0.559 0.325 60 HA LEU 9 HA LEU 9 -2.939 -2.342 -0.348 61 HB2 LEU 9 HB2 LEU 9 -5.138 -0.995 -1.774 62 HB3 LEU 9 HB1 LEU 9 -3.826 -1.549 -2.796 63 HG LEU 9 HG LEU 9 -4.220 -3.784 -1.352 64 HD11 LEU 9 1HD1 LEU 9 -6.775 -2.239 -1.261 65 HD12 LEU 9 2HD1 LEU 9 -6.010 -3.220 -0.011 66 HD13 LEU 9 3HD1 LEU 9 -6.804 -3.999 -1.379 67 HD21 LEU 9 1HD2 LEU 9 -4.429 -3.119 -3.927 68 HD22 LEU 9 2HD2 LEU 9 -6.135 -3.397 -3.577 69 HD23 LEU 9 3HD2 LEU 9 -4.958 -4.681 -3.301 70 H ALA 10 HN ALA 10 -3.399 0.945 -1.669 71 HA ALA 10 HA ALA 10 -1.126 1.171 -3.191 72 HB1 ALA 10 HB1 ALA 10 -1.988 3.504 -1.545 73 HB2 ALA 10 HB2 ALA 10 -3.082 2.833 -2.755 74 HB3 ALA 10 HB3 ALA 10 -1.499 3.442 -3.238 75 H ARG 11 HN ARG 11 -1.331 1.035 0.240 76 HA ARG 11 HA ARG 11 1.292 2.160 0.668 77 HB2 ARG 11 HB2 ARG 11 -0.155 2.797 2.360 78 HB3 ARG 11 HB1 ARG 11 -0.958 1.238 2.407 79 HG2 ARG 11 HG2 ARG 11 1.692 0.757 3.195 80 HG3 ARG 11 HG1 ARG 11 1.192 2.234 4.018 81 HD2 ARG 11 HD2 ARG 11 0.306 0.813 5.518 82 HD3 ARG 11 HD1 ARG 11 -1.011 0.706 4.350 83 HE ARG 11 HE ARG 11 0.732 -1.219 3.548 84 HH11 ARG 11 1HH1 ARG 11 -0.859 -0.494 6.568 85 HH12 ARG 11 2HH1 ARG 11 -0.920 -2.147 7.077 86 HH21 ARG 11 1HH2 ARG 11 0.654 -3.395 4.217 87 HH22 ARG 11 2HH2 ARG 11 -0.061 -3.794 5.743 88 H ILE 12 HN ILE 12 -0.319 -1.023 0.982 89 HA ILE 12 HA ILE 12 1.853 -2.405 2.031 90 HB ILE 12 HB ILE 12 0.915 -4.439 1.305 91 HG12 ILE 12 2HG1 ILE 12 -1.302 -4.031 -0.236 92 HG13 ILE 12 1HG1 ILE 12 -0.208 -2.821 -0.883 93 HG21 ILE 12 1HG2 ILE 12 -1.713 -3.513 1.637 94 HG22 ILE 12 2HG2 ILE 12 -0.680 -2.395 2.528 95 HG23 ILE 12 3HG2 ILE 12 -0.617 -4.123 2.877 96 HD11 ILE 12 1HD1 ILE 12 -0.304 -5.538 -1.498 97 HD12 ILE 12 2HD1 ILE 12 1.171 -5.307 -0.558 98 HD13 ILE 12 3HD1 ILE 12 0.898 -4.358 -2.019 99 H LEU 13 HN LEU 13 1.083 -1.709 -1.356 100 HA LEU 13 HA LEU 13 3.180 -3.185 -2.500 101 HB2 LEU 13 HB2 LEU 13 3.073 -1.136 -4.221 102 HB3 LEU 13 HB1 LEU 13 1.897 -2.433 -4.213 103 HG LEU 13 HG LEU 13 1.141 -0.269 -2.423 104 HD11 LEU 13 1HD1 LEU 13 1.181 0.415 -5.352 105 HD12 LEU 13 2HD1 LEU 13 2.432 0.955 -4.233 106 HD13 LEU 13 3HD1 LEU 13 0.757 1.450 -3.988 107 HD21 LEU 13 1HD2 LEU 13 -0.979 -0.592 -3.436 108 HD22 LEU 13 2HD2 LEU 13 -0.246 -2.189 -3.323 109 HD23 LEU 13 3HD2 LEU 13 -0.265 -1.334 -4.865 110 H GLY 14 HN GLY 14 3.000 -0.052 -0.951 111 HA2 GLY 14 HA2 GLY 14 5.596 0.870 -1.629 112 HA3 GLY 14 HA1 GLY 14 4.662 1.370 -0.221 113 H ARG 15 HN ARG 15 4.450 -1.573 0.483 114 HA ARG 15 HA ARG 15 7.005 -1.765 1.924 115 HB2 ARG 15 HB2 ARG 15 4.280 -2.958 2.400 116 HB3 ARG 15 HB1 ARG 15 5.709 -3.554 3.232 117 HG2 ARG 15 HG2 ARG 15 4.857 -2.051 4.747 118 HG3 ARG 15 HG1 ARG 15 6.047 -1.068 3.890 119 HD2 ARG 15 HD2 ARG 15 4.462 0.178 2.831 120 HD3 ARG 15 HD1 ARG 15 3.287 -1.136 2.809 121 HE ARG 15 HE ARG 15 2.512 -0.451 4.865 122 HH11 ARG 15 1HH1 ARG 15 5.499 1.206 4.148 123 HH12 ARG 15 2HH1 ARG 15 5.335 2.326 5.459 124 HH21 ARG 15 1HH2 ARG 15 2.297 1.024 6.587 125 HH22 ARG 15 2HH2 ARG 15 3.521 2.223 6.843 126 H VAL 16 HN VAL 16 6.637 -2.445 -0.886 127 HA VAL 16 HA VAL 16 7.174 -5.342 -0.814 128 HB VAL 16 HB VAL 16 5.213 -4.260 -2.298 129 HG11 VAL 16 1HG1 VAL 16 5.914 -4.016 -4.631 130 HG12 VAL 16 2HG1 VAL 16 7.600 -4.170 -4.141 131 HG13 VAL 16 3HG1 VAL 16 6.649 -2.788 -3.603 132 HG21 VAL 16 1HG2 VAL 16 6.978 -6.467 -3.336 133 HG22 VAL 16 2HG2 VAL 16 5.258 -6.238 -3.647 134 HG23 VAL 16 3HG2 VAL 16 5.813 -6.652 -2.025 135 H ILE 17 HN ILE 17 7.939 -2.279 -2.325 136 HA ILE 17 HA ILE 17 10.737 -2.854 -2.057 137 HB ILE 17 HB ILE 17 9.542 -2.288 -4.786 138 HG12 ILE 17 2HG1 ILE 17 9.507 -4.668 -4.083 139 HG13 ILE 17 1HG1 ILE 17 10.566 -4.386 -5.461 140 HG21 ILE 17 1HG2 ILE 17 11.419 -1.049 -5.005 141 HG22 ILE 17 2HG2 ILE 17 12.158 -2.625 -5.283 142 HG23 ILE 17 3HG2 ILE 17 12.251 -1.877 -3.689 143 HD11 ILE 17 1HD1 ILE 17 11.504 -4.608 -2.612 144 HD12 ILE 17 2HD1 ILE 17 12.507 -4.509 -4.060 145 HD13 ILE 17 3HD1 ILE 17 11.503 -5.931 -3.778 146 HA PRO 18 HA PRO 18 9.576 1.433 -1.311 147 HB2 PRO 18 HB2 PRO 18 10.443 1.189 1.380 148 HB3 PRO 18 HB1 PRO 18 8.774 1.203 0.809 149 HG2 PRO 18 HG2 PRO 18 10.052 -0.972 1.975 150 HG3 PRO 18 HG1 PRO 18 8.593 -1.069 0.975 151 HD2 PRO 18 HD2 PRO 18 11.421 -1.406 0.181 152 HD3 PRO 18 HD1 PRO 18 10.055 -2.418 -0.268 153 H LYS 19 HN LYS 19 11.045 3.003 -0.029 154 HA LYS 19 HA LYS 19 13.570 3.064 -1.321 155 HB2 LYS 19 HB2 LYS 19 13.928 5.166 -0.176 156 HB3 LYS 19 HB1 LYS 19 12.280 5.104 -0.785 157 HG2 LYS 19 HG2 LYS 19 11.450 5.421 1.242 158 HG3 LYS 19 HG1 LYS 19 12.386 4.077 1.896 159 HD2 LYS 19 HD2 LYS 19 14.016 6.430 1.361 160 HD3 LYS 19 HD1 LYS 19 12.716 6.748 2.511 161 HE2 LYS 19 HE2 LYS 19 14.093 5.906 4.054 162 HE3 LYS 19 HE1 LYS 19 13.700 4.332 3.365 163 HZ1 LYS 19 HZ1 LYS 19 15.637 4.413 2.009 164 HZ2 LYS 19 HZ2 LYS 19 16.116 4.784 3.588 165 HZ3 LYS 19 HZ3 LYS 19 15.961 6.017 2.441 166 H VAL 20 HN VAL 20 12.468 2.037 1.814 167 HA VAL 20 HA VAL 20 13.509 1.047 3.577 168 HB VAL 20 HB VAL 20 15.769 0.465 1.664 169 HG11 VAL 20 1HG1 VAL 20 16.525 -0.225 3.719 170 HG12 VAL 20 2HG1 VAL 20 15.697 -1.682 3.169 171 HG13 VAL 20 3HG1 VAL 20 14.906 -0.597 4.311 172 HG21 VAL 20 1HG2 VAL 20 14.169 -0.527 0.427 173 HG22 VAL 20 2HG2 VAL 20 13.015 -0.566 1.760 174 HG23 VAL 20 3HG2 VAL 20 14.280 -1.790 1.652 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -13.359 -0.602 1.188 2 H2 GLY 1 HT2 GLY 1 -14.227 -1.231 2.496 3 H3 GLY 1 HT3 GLY 1 -15.046 -0.700 1.115 4 HA2 GLY 1 HA1 GLY 1 -13.110 -2.945 1.106 5 HA3 GLY 1 HA2 GLY 1 -14.840 -3.165 1.315 6 H LEU 2 HN LEU 2 -13.269 -0.804 -0.786 7 HA LEU 2 HA LEU 2 -13.126 -2.039 -3.195 8 HB2 LEU 2 HB2 LEU 2 -15.853 -2.015 -2.404 9 HB3 LEU 2 HB1 LEU 2 -15.691 -0.838 -3.688 10 HG LEU 2 HG LEU 2 -16.342 -3.061 -4.522 11 HD11 LEU 2 1HD1 LEU 2 -15.371 -2.041 -6.276 12 HD12 LEU 2 2HD1 LEU 2 -14.111 -3.248 -6.020 13 HD13 LEU 2 3HD1 LEU 2 -13.919 -1.621 -5.367 14 HD21 LEU 2 1HD2 LEU 2 -13.807 -3.857 -3.154 15 HD22 LEU 2 2HD2 LEU 2 -14.354 -4.737 -4.581 16 HD23 LEU 2 3HD2 LEU 2 -15.382 -4.650 -3.150 17 H GLY 3 HN GLY 3 -11.541 -0.343 -3.019 18 HA2 GLY 3 HA2 GLY 3 -10.866 1.610 -4.188 19 HA3 GLY 3 HA1 GLY 3 -12.534 2.168 -4.164 20 H SER 4 HN SER 4 -12.789 1.484 -1.290 21 HA SER 4 HA SER 4 -11.746 3.971 -0.233 22 HB2 SER 4 HB2 SER 4 -12.908 2.575 1.881 23 HB3 SER 4 HB1 SER 4 -13.698 3.796 0.885 24 HG SER 4 HG SER 4 -14.495 2.170 -0.429 25 H VAL 5 HN VAL 5 -11.155 0.575 -0.102 26 HA VAL 5 HA VAL 5 -9.350 0.584 2.127 27 HB VAL 5 HB VAL 5 -9.434 -1.434 -0.066 28 HG11 VAL 5 1HG1 VAL 5 -8.479 -1.359 2.745 29 HG12 VAL 5 2HG1 VAL 5 -7.744 -2.096 1.321 30 HG13 VAL 5 3HG1 VAL 5 -9.098 -2.889 2.126 31 HG21 VAL 5 1HG2 VAL 5 -11.533 -0.796 1.881 32 HG22 VAL 5 2HG2 VAL 5 -11.100 -2.503 1.799 33 HG23 VAL 5 3HG2 VAL 5 -11.636 -1.659 0.347 34 H PHE 6 HN PHE 6 -9.211 1.251 -1.233 35 HA PHE 6 HA PHE 6 -6.738 0.616 -2.116 36 HB2 PHE 6 HB2 PHE 6 -7.098 2.161 -3.755 37 HB3 PHE 6 HB1 PHE 6 -8.703 2.214 -3.029 38 HD1 PHE 6 HD1 PHE 6 -6.015 4.153 -4.129 39 HD2 PHE 6 HD2 PHE 6 -8.924 3.939 -1.031 40 HE1 PHE 6 HE1 PHE 6 -5.739 6.562 -3.709 41 HE2 PHE 6 HE2 PHE 6 -8.656 6.347 -0.606 42 HZ PHE 6 HZ PHE 6 -7.061 7.662 -1.945 43 H GLY 7 HN GLY 7 -7.505 2.813 0.429 44 HA2 GLY 7 HA2 GLY 7 -5.108 4.316 0.512 45 HA3 GLY 7 HA1 GLY 7 -6.196 4.046 1.869 46 H ARG 8 HN ARG 8 -6.052 1.250 1.979 47 HA ARG 8 HA ARG 8 -3.609 0.924 3.432 48 HB2 ARG 8 HB2 ARG 8 -5.988 -0.788 2.840 49 HB3 ARG 8 HB1 ARG 8 -4.519 -1.555 3.427 50 HG2 ARG 8 HG2 ARG 8 -5.394 -1.155 5.446 51 HG3 ARG 8 HG1 ARG 8 -4.773 0.478 5.196 52 HD2 ARG 8 HD2 ARG 8 -7.106 0.776 3.976 53 HD3 ARG 8 HD1 ARG 8 -7.560 -0.546 5.051 54 HE ARG 8 HE ARG 8 -6.222 1.612 6.391 55 HH11 ARG 8 1HH1 ARG 8 -9.302 0.439 5.244 56 HH12 ARG 8 2HH1 ARG 8 -10.221 1.370 6.378 57 HH21 ARG 8 1HH2 ARG 8 -7.428 2.836 7.885 58 HH22 ARG 8 2HH2 ARG 8 -9.157 2.732 7.878 59 H LEU 9 HN LEU 9 -4.981 -0.687 0.551 60 HA LEU 9 HA LEU 9 -2.814 -2.272 -0.108 61 HB2 LEU 9 HB2 LEU 9 -4.973 -0.975 -1.715 62 HB3 LEU 9 HB1 LEU 9 -3.669 -1.800 -2.547 63 HG LEU 9 HG LEU 9 -4.334 -3.748 -0.849 64 HD11 LEU 9 1HD1 LEU 9 -6.868 -2.160 -1.223 65 HD12 LEU 9 2HD1 LEU 9 -6.060 -2.527 0.301 66 HD13 LEU 9 3HD1 LEU 9 -6.796 -3.823 -0.641 67 HD21 LEU 9 1HD2 LEU 9 -4.465 -3.405 -3.499 68 HD22 LEU 9 2HD2 LEU 9 -6.189 -3.501 -3.138 69 HD23 LEU 9 3HD2 LEU 9 -5.116 -4.825 -2.680 70 H ALA 10 HN ALA 10 -3.411 1.107 -0.942 71 HA ALA 10 HA ALA 10 -1.410 1.634 -2.736 72 HB1 ALA 10 HB1 ALA 10 -2.498 3.363 -0.532 73 HB2 ALA 10 HB2 ALA 10 -2.995 3.319 -2.223 74 HB3 ALA 10 HB3 ALA 10 -1.408 3.954 -1.786 75 H ARG 11 HN ARG 11 -1.020 0.833 0.595 76 HA ARG 11 HA ARG 11 1.649 1.910 0.734 77 HB2 ARG 11 HB2 ARG 11 1.600 1.515 3.020 78 HB3 ARG 11 HB1 ARG 11 -0.074 1.896 2.655 79 HG2 ARG 11 HG2 ARG 11 -0.170 -0.770 2.407 80 HG3 ARG 11 HG1 ARG 11 1.144 -0.629 3.572 81 HD2 ARG 11 HD2 ARG 11 -1.666 0.422 3.826 82 HD3 ARG 11 HD1 ARG 11 -0.889 -0.825 4.801 83 HE ARG 11 HE ARG 11 0.442 1.718 4.918 84 HH11 ARG 11 1HH1 ARG 11 -2.124 -0.226 6.265 85 HH12 ARG 11 2HH1 ARG 11 -2.148 0.626 7.772 86 HH21 ARG 11 1HH2 ARG 11 0.412 2.841 6.901 87 HH22 ARG 11 2HH2 ARG 11 -0.709 2.367 8.134 88 H ILE 12 HN ILE 12 0.077 -1.287 0.613 89 HA ILE 12 HA ILE 12 2.342 -2.836 1.050 90 HB ILE 12 HB ILE 12 1.295 -4.624 -0.211 91 HG12 ILE 12 2HG1 ILE 12 -1.186 -3.133 -0.765 92 HG13 ILE 12 1HG1 ILE 12 0.180 -2.692 -1.779 93 HG21 ILE 12 1HG2 ILE 12 -1.058 -4.355 1.041 94 HG22 ILE 12 2HG2 ILE 12 -0.141 -3.089 1.859 95 HG23 ILE 12 3HG2 ILE 12 0.443 -4.753 1.877 96 HD11 ILE 12 1HD1 ILE 12 -0.398 -4.398 -3.067 97 HD12 ILE 12 2HD1 ILE 12 -1.494 -5.044 -1.846 98 HD13 ILE 12 3HD1 ILE 12 0.221 -5.449 -1.792 99 H LEU 13 HN LEU 13 1.292 -1.160 -1.827 100 HA LEU 13 HA LEU 13 3.163 -2.367 -3.599 101 HB2 LEU 13 HB2 LEU 13 2.828 0.106 -4.689 102 HB3 LEU 13 HB1 LEU 13 1.778 -1.264 -4.985 103 HG LEU 13 HG LEU 13 1.083 0.403 -2.647 104 HD11 LEU 13 1HD1 LEU 13 0.333 1.434 -5.351 105 HD12 LEU 13 2HD1 LEU 13 1.844 1.939 -4.595 106 HD13 LEU 13 3HD1 LEU 13 0.307 2.256 -3.790 107 HD21 LEU 13 1HD2 LEU 13 -1.142 -0.098 -3.351 108 HD22 LEU 13 2HD2 LEU 13 -0.201 -1.580 -3.504 109 HD23 LEU 13 3HD2 LEU 13 -0.585 -0.627 -4.937 110 H GLY 14 HN GLY 14 3.244 0.135 -1.216 111 HA2 GLY 14 HA2 GLY 14 5.955 0.935 -2.023 112 HA3 GLY 14 HA1 GLY 14 4.960 1.724 -0.804 113 H ARG 15 HN ARG 15 4.338 -1.157 0.151 114 HA ARG 15 HA ARG 15 6.669 -1.356 1.933 115 HB2 ARG 15 HB2 ARG 15 3.793 -2.171 2.179 116 HB3 ARG 15 HB1 ARG 15 5.014 -2.937 3.186 117 HG2 ARG 15 HG2 ARG 15 4.222 -1.216 4.516 118 HG3 ARG 15 HG1 ARG 15 5.694 -0.538 3.816 119 HD2 ARG 15 HD2 ARG 15 4.360 0.610 2.119 120 HD3 ARG 15 HD1 ARG 15 2.890 -0.078 2.806 121 HE ARG 15 HE ARG 15 2.973 1.482 4.487 122 HH11 ARG 15 1HH1 ARG 15 6.019 1.475 2.782 123 HH12 ARG 15 2HH1 ARG 15 6.611 2.892 3.581 124 HH21 ARG 15 1HH2 ARG 15 3.752 3.345 5.539 125 HH22 ARG 15 2HH2 ARG 15 5.326 3.954 5.146 126 H VAL 16 HN VAL 16 6.589 -2.363 -0.812 127 HA VAL 16 HA VAL 16 6.873 -5.257 -0.318 128 HB VAL 16 HB VAL 16 5.143 -4.803 -2.004 129 HG11 VAL 16 1HG1 VAL 16 5.530 -3.643 -4.019 130 HG12 VAL 16 2HG1 VAL 16 7.270 -3.580 -3.738 131 HG13 VAL 16 3HG1 VAL 16 6.180 -2.620 -2.739 132 HG21 VAL 16 1HG2 VAL 16 6.865 -6.728 -2.153 133 HG22 VAL 16 2HG2 VAL 16 7.493 -5.835 -3.539 134 HG23 VAL 16 3HG2 VAL 16 5.822 -6.400 -3.536 135 H ILE 17 HN ILE 17 8.042 -2.484 -2.111 136 HA ILE 17 HA ILE 17 10.745 -3.195 -1.452 137 HB ILE 17 HB ILE 17 9.944 -2.828 -4.353 138 HG12 ILE 17 2HG1 ILE 17 9.392 -5.079 -3.470 139 HG13 ILE 17 1HG1 ILE 17 10.654 -5.129 -4.697 140 HG21 ILE 17 1HG2 ILE 17 12.023 -1.956 -4.419 141 HG22 ILE 17 2HG2 ILE 17 12.502 -3.654 -4.434 142 HG23 ILE 17 3HG2 ILE 17 12.520 -2.745 -2.922 143 HD11 ILE 17 1HD1 ILE 17 10.735 -6.324 -2.226 144 HD12 ILE 17 2HD1 ILE 17 11.727 -4.882 -2.015 145 HD13 ILE 17 3HD1 ILE 17 12.111 -6.037 -3.290 146 HA PRO 18 HA PRO 18 9.843 1.218 -1.403 147 HB2 PRO 18 HB2 PRO 18 10.438 1.287 1.376 148 HB3 PRO 18 HB1 PRO 18 8.838 1.344 0.635 149 HG2 PRO 18 HG2 PRO 18 9.795 -0.739 2.199 150 HG3 PRO 18 HG1 PRO 18 8.453 -0.873 1.049 151 HD2 PRO 18 HD2 PRO 18 11.318 -1.484 0.644 152 HD3 PRO 18 HD1 PRO 18 9.937 -2.472 0.182 153 H LYS 19 HN LYS 19 11.285 2.865 -0.202 154 HA LYS 19 HA LYS 19 13.888 2.690 -1.259 155 HB2 LYS 19 HB2 LYS 19 14.306 4.817 -0.086 156 HB3 LYS 19 HB1 LYS 19 12.795 4.840 -0.985 157 HG2 LYS 19 HG2 LYS 19 11.643 5.324 0.842 158 HG3 LYS 19 HG1 LYS 19 12.325 3.942 1.699 159 HD2 LYS 19 HD2 LYS 19 14.258 6.081 1.432 160 HD3 LYS 19 HD1 LYS 19 12.785 6.640 2.226 161 HE2 LYS 19 HE2 LYS 19 13.454 5.684 4.114 162 HE3 LYS 19 HE1 LYS 19 13.427 4.110 3.320 163 HZ1 LYS 19 HZ1 LYS 19 15.696 4.437 2.620 164 HZ2 LYS 19 HZ2 LYS 19 15.593 4.630 4.297 165 HZ3 LYS 19 HZ3 LYS 19 15.728 5.988 3.297 166 H VAL 20 HN VAL 20 12.545 1.913 1.856 167 HA VAL 20 HA VAL 20 13.423 0.922 3.708 168 HB VAL 20 HB VAL 20 15.852 0.290 2.035 169 HG11 VAL 20 1HG1 VAL 20 16.468 -1.144 3.656 170 HG12 VAL 20 2HG1 VAL 20 14.808 -1.623 4.009 171 HG13 VAL 20 3HG1 VAL 20 15.454 -0.124 4.678 172 HG21 VAL 20 1HG2 VAL 20 14.304 -0.659 0.666 173 HG22 VAL 20 2HG2 VAL 20 13.101 -0.812 1.946 174 HG23 VAL 20 3HG2 VAL 20 14.437 -1.959 1.849 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -15.280 -2.191 2.402 2 H2 GLY 1 HT2 GLY 1 -15.647 -3.477 1.366 3 H3 GLY 1 HT3 GLY 1 -16.126 -1.905 0.964 4 HA2 GLY 1 HA1 GLY 1 -13.703 -1.287 0.942 5 HA3 GLY 1 HA2 GLY 1 -13.379 -3.013 1.014 6 H LEU 2 HN LEU 2 -13.221 -0.646 -1.055 7 HA LEU 2 HA LEU 2 -13.066 -2.050 -3.380 8 HB2 LEU 2 HB2 LEU 2 -15.795 -1.899 -2.639 9 HB3 LEU 2 HB1 LEU 2 -15.587 -0.781 -3.970 10 HG LEU 2 HG LEU 2 -16.290 -2.992 -4.749 11 HD11 LEU 2 1HD1 LEU 2 -15.024 -2.895 -6.612 12 HD12 LEU 2 2HD1 LEU 2 -13.505 -2.899 -5.715 13 HD13 LEU 2 3HD1 LEU 2 -14.435 -1.408 -5.869 14 HD21 LEU 2 1HD2 LEU 2 -13.845 -3.864 -3.261 15 HD22 LEU 2 2HD2 LEU 2 -14.420 -4.785 -4.651 16 HD23 LEU 2 3HD2 LEU 2 -15.468 -4.554 -3.251 17 H GLY 3 HN GLY 3 -11.429 -0.363 -3.146 18 HA2 GLY 3 HA2 GLY 3 -10.632 1.477 -4.432 19 HA3 GLY 3 HA1 GLY 3 -12.280 2.086 -4.526 20 H SER 4 HN SER 4 -12.729 1.599 -1.656 21 HA SER 4 HA SER 4 -11.633 4.093 -0.669 22 HB2 SER 4 HB2 SER 4 -13.175 2.309 1.141 23 HB3 SER 4 HB1 SER 4 -13.312 4.050 0.891 24 HG SER 4 HG SER 4 -15.068 3.394 -0.120 25 H VAL 5 HN VAL 5 -11.182 0.695 -0.370 26 HA VAL 5 HA VAL 5 -9.571 0.688 1.994 27 HB VAL 5 HB VAL 5 -9.486 -1.333 -0.197 28 HG11 VAL 5 1HG1 VAL 5 -8.033 -1.243 2.030 29 HG12 VAL 5 2HG1 VAL 5 -8.570 -2.765 1.320 30 HG13 VAL 5 3HG1 VAL 5 -9.453 -2.064 2.676 31 HG21 VAL 5 1HG2 VAL 5 -11.745 -0.657 1.539 32 HG22 VAL 5 2HG2 VAL 5 -11.318 -2.369 1.541 33 HG23 VAL 5 3HG2 VAL 5 -11.710 -1.559 0.024 34 H PHE 6 HN PHE 6 -9.118 1.346 -1.337 35 HA PHE 6 HA PHE 6 -6.592 0.667 -1.998 36 HB2 PHE 6 HB2 PHE 6 -6.794 2.204 -3.666 37 HB3 PHE 6 HB1 PHE 6 -8.447 2.308 -3.065 38 HD1 PHE 6 HD1 PHE 6 -5.509 4.119 -3.829 39 HD2 PHE 6 HD2 PHE 6 -8.889 4.097 -1.243 40 HE1 PHE 6 HE1 PHE 6 -5.198 6.523 -3.407 41 HE2 PHE 6 HE2 PHE 6 -8.585 6.502 -0.819 42 HZ PHE 6 HZ PHE 6 -6.737 7.718 -1.901 43 H GLY 7 HN GLY 7 -7.534 2.875 0.479 44 HA2 GLY 7 HA2 GLY 7 -5.161 4.366 0.783 45 HA3 GLY 7 HA1 GLY 7 -6.329 4.042 2.058 46 H ARG 8 HN ARG 8 -6.130 1.216 2.026 47 HA ARG 8 HA ARG 8 -3.742 0.897 3.602 48 HB2 ARG 8 HB2 ARG 8 -6.181 -0.699 3.042 49 HB3 ARG 8 HB1 ARG 8 -4.733 -1.606 3.458 50 HG2 ARG 8 HG2 ARG 8 -5.585 -1.315 5.538 51 HG3 ARG 8 HG1 ARG 8 -4.633 0.167 5.423 52 HD2 ARG 8 HD2 ARG 8 -7.284 0.495 4.298 53 HD3 ARG 8 HD1 ARG 8 -7.347 -0.032 5.979 54 HE ARG 8 HE ARG 8 -5.550 1.978 6.049 55 HH11 ARG 8 1HH1 ARG 8 -8.777 1.734 4.741 56 HH12 ARG 8 2HH1 ARG 8 -9.142 3.407 4.998 57 HH21 ARG 8 1HH2 ARG 8 -6.031 4.179 6.389 58 HH22 ARG 8 2HH2 ARG 8 -7.584 4.795 5.934 59 H LEU 9 HN LEU 9 -5.062 -0.673 0.667 60 HA LEU 9 HA LEU 9 -2.827 -2.220 0.052 61 HB2 LEU 9 HB2 LEU 9 -4.910 -0.953 -1.716 62 HB3 LEU 9 HB1 LEU 9 -3.651 -1.996 -2.351 63 HG LEU 9 HG LEU 9 -4.632 -3.612 -0.434 64 HD11 LEU 9 1HD1 LEU 9 -6.783 -1.666 -1.118 65 HD12 LEU 9 2HD1 LEU 9 -6.401 -2.430 0.425 66 HD13 LEU 9 3HD1 LEU 9 -7.202 -3.357 -0.844 67 HD21 LEU 9 1HD2 LEU 9 -4.439 -3.715 -3.089 68 HD22 LEU 9 2HD2 LEU 9 -6.191 -3.565 -2.954 69 HD23 LEU 9 3HD2 LEU 9 -5.356 -4.900 -2.160 70 H ALA 10 HN ALA 10 -3.313 1.177 -0.186 71 HA ALA 10 HA ALA 10 -1.450 1.835 -2.177 72 HB1 ALA 10 HB1 ALA 10 -2.626 3.342 0.127 73 HB2 ALA 10 HB2 ALA 10 -2.923 3.539 -1.600 74 HB3 ALA 10 HB3 ALA 10 -1.392 4.068 -0.903 75 H ARG 11 HN ARG 11 -1.021 0.754 1.052 76 HA ARG 11 HA ARG 11 1.661 1.791 1.277 77 HB2 ARG 11 HB2 ARG 11 1.627 1.129 3.517 78 HB3 ARG 11 HB1 ARG 11 -0.011 1.670 3.196 79 HG2 ARG 11 HG2 ARG 11 -0.282 -0.953 2.668 80 HG3 ARG 11 HG1 ARG 11 1.005 -1.011 3.872 81 HD2 ARG 11 HD2 ARG 11 -1.835 -0.300 4.158 82 HD3 ARG 11 HD1 ARG 11 -0.729 -1.025 5.318 83 HE ARG 11 HE ARG 11 -1.138 1.832 4.838 84 HH11 ARG 11 1HH1 ARG 11 0.525 -0.683 6.608 85 HH12 ARG 11 2HH1 ARG 11 1.034 0.380 7.875 86 HH21 ARG 11 1HH2 ARG 11 -0.468 3.222 6.506 87 HH22 ARG 11 2HH2 ARG 11 0.472 2.594 7.818 88 H ILE 12 HN ILE 12 0.048 -1.358 0.892 89 HA ILE 12 HA ILE 12 2.263 -2.993 1.204 90 HB ILE 12 HB ILE 12 1.179 -4.630 -0.232 91 HG12 ILE 12 2HG1 ILE 12 -1.284 -3.101 -0.650 92 HG13 ILE 12 1HG1 ILE 12 0.083 -2.479 -1.561 93 HG21 ILE 12 1HG2 ILE 12 -1.162 -4.433 1.038 94 HG22 ILE 12 2HG2 ILE 12 -0.239 -3.248 1.962 95 HG23 ILE 12 3HG2 ILE 12 0.328 -4.914 1.848 96 HD11 ILE 12 1HD1 ILE 12 -1.505 -4.854 -1.990 97 HD12 ILE 12 2HD1 ILE 12 0.226 -5.195 -1.971 98 HD13 ILE 12 3HD1 ILE 12 -0.425 -3.998 -3.090 99 H LEU 13 HN LEU 13 1.271 -1.097 -1.581 100 HA LEU 13 HA LEU 13 3.177 -2.183 -3.389 101 HB2 LEU 13 HB2 LEU 13 2.827 -0.044 -4.654 102 HB3 LEU 13 HB1 LEU 13 1.367 -0.960 -4.334 103 HG LEU 13 HG LEU 13 1.421 0.725 -2.190 104 HD11 LEU 13 1HD1 LEU 13 1.724 2.970 -3.624 105 HD12 LEU 13 2HD1 LEU 13 2.957 1.964 -4.385 106 HD13 LEU 13 3HD1 LEU 13 3.012 2.263 -2.648 107 HD21 LEU 13 1HD2 LEU 13 -0.194 2.105 -3.678 108 HD22 LEU 13 2HD2 LEU 13 -0.589 0.429 -3.296 109 HD23 LEU 13 3HD2 LEU 13 0.098 0.836 -4.868 110 H GLY 14 HN GLY 14 3.240 0.040 -0.769 111 HA2 GLY 14 HA2 GLY 14 5.886 1.062 -1.495 112 HA3 GLY 14 HA1 GLY 14 4.905 1.579 -0.128 113 H ARG 15 HN ARG 15 4.445 -1.422 0.417 114 HA ARG 15 HA ARG 15 6.896 -1.781 2.003 115 HB2 ARG 15 HB2 ARG 15 4.090 -2.825 2.286 116 HB3 ARG 15 HB1 ARG 15 5.432 -3.562 3.153 117 HG2 ARG 15 HG2 ARG 15 4.637 -2.071 4.705 118 HG3 ARG 15 HG1 ARG 15 5.911 -1.127 3.930 119 HD2 ARG 15 HD2 ARG 15 4.365 0.106 2.654 120 HD3 ARG 15 HD1 ARG 15 3.059 -1.026 3.001 121 HE ARG 15 HE ARG 15 2.626 0.143 4.910 122 HH11 ARG 15 1HH1 ARG 15 5.890 0.852 3.907 123 HH12 ARG 15 2HH1 ARG 15 6.141 2.052 5.129 124 HH21 ARG 15 1HH2 ARG 15 2.949 1.720 6.523 125 HH22 ARG 15 2HH2 ARG 15 4.468 2.548 6.617 126 H VAL 16 HN VAL 16 6.638 -2.406 -0.859 127 HA VAL 16 HA VAL 16 7.094 -5.320 -0.766 128 HB VAL 16 HB VAL 16 5.214 -4.808 -2.237 129 HG11 VAL 16 1HG1 VAL 16 7.052 -3.192 -3.976 130 HG12 VAL 16 2HG1 VAL 16 6.048 -2.458 -2.727 131 HG13 VAL 16 3HG1 VAL 16 5.296 -3.335 -4.058 132 HG21 VAL 16 1HG2 VAL 16 7.770 -5.790 -3.419 133 HG22 VAL 16 2HG2 VAL 16 6.359 -5.600 -4.459 134 HG23 VAL 16 3HG2 VAL 16 6.283 -6.666 -3.057 135 H ILE 17 HN ILE 17 7.971 -2.299 -2.298 136 HA ILE 17 HA ILE 17 10.754 -2.942 -1.983 137 HB ILE 17 HB ILE 17 9.669 -2.239 -4.727 138 HG12 ILE 17 2HG1 ILE 17 9.212 -4.600 -4.075 139 HG13 ILE 17 1HG1 ILE 17 10.316 -4.460 -5.437 140 HG21 ILE 17 1HG2 ILE 17 11.932 -2.413 -5.495 141 HG22 ILE 17 2HG2 ILE 17 12.480 -2.948 -3.906 142 HG23 ILE 17 3HG2 ILE 17 11.891 -1.300 -4.128 143 HD11 ILE 17 1HD1 ILE 17 11.981 -5.454 -4.336 144 HD12 ILE 17 2HD1 ILE 17 10.711 -6.021 -3.251 145 HD13 ILE 17 3HD1 ILE 17 11.645 -4.582 -2.840 146 HA PRO 18 HA PRO 18 9.692 1.378 -1.300 147 HB2 PRO 18 HB2 PRO 18 10.601 1.149 1.386 148 HB3 PRO 18 HB1 PRO 18 8.925 1.222 0.838 149 HG2 PRO 18 HG2 PRO 18 10.116 -0.985 2.023 150 HG3 PRO 18 HG1 PRO 18 8.664 -1.047 1.010 151 HD2 PRO 18 HD2 PRO 18 11.486 -1.464 0.240 152 HD3 PRO 18 HD1 PRO 18 10.103 -2.460 -0.191 153 H LYS 19 HN LYS 19 11.212 2.946 -0.070 154 HA LYS 19 HA LYS 19 13.664 3.041 -1.432 155 HB2 LYS 19 HB2 LYS 19 14.173 4.980 0.035 156 HB3 LYS 19 HB1 LYS 19 12.599 5.086 -0.741 157 HG2 LYS 19 HG2 LYS 19 11.456 4.654 1.247 158 HG3 LYS 19 HG1 LYS 19 12.895 4.011 2.041 159 HD2 LYS 19 HD2 LYS 19 13.730 6.514 1.457 160 HD3 LYS 19 HD1 LYS 19 12.004 6.799 1.689 161 HE2 LYS 19 HE2 LYS 19 12.393 6.847 3.877 162 HE3 LYS 19 HE1 LYS 19 12.740 5.121 3.788 163 HZ1 LYS 19 HZ1 LYS 19 15.001 5.491 3.737 164 HZ2 LYS 19 HZ2 LYS 19 14.484 6.708 4.792 165 HZ3 LYS 19 HZ3 LYS 19 14.853 7.084 3.184 166 H VAL 20 HN VAL 20 12.748 1.606 1.567 167 HA VAL 20 HA VAL 20 13.890 0.314 3.055 168 HB VAL 20 HB VAL 20 16.371 0.470 1.374 169 HG11 VAL 20 1HG1 VAL 20 16.743 -0.765 3.312 170 HG12 VAL 20 2HG1 VAL 20 16.385 -1.997 2.102 171 HG13 VAL 20 3HG1 VAL 20 15.146 -1.511 3.259 172 HG21 VAL 20 1HG2 VAL 20 15.118 -0.143 -0.402 173 HG22 VAL 20 2HG2 VAL 20 13.766 -0.674 0.600 174 HG23 VAL 20 3HG2 VAL 20 15.163 -1.728 0.371 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -15.349 -0.833 0.350 2 H2 GLY 1 HT2 GLY 1 -15.705 -1.755 1.723 3 H3 GLY 1 HT3 GLY 1 -16.148 -2.316 0.190 4 HA2 GLY 1 HA1 GLY 1 -13.363 -1.933 1.143 5 HA3 GLY 1 HA2 GLY 1 -14.189 -3.480 1.032 6 H LEU 2 HN LEU 2 -13.135 -0.699 -0.893 7 HA LEU 2 HA LEU 2 -12.112 -2.397 -2.957 8 HB2 LEU 2 HB2 LEU 2 -14.658 -0.862 -3.386 9 HB3 LEU 2 HB1 LEU 2 -13.569 -1.174 -4.723 10 HG LEU 2 HG LEU 2 -15.046 -3.212 -3.063 11 HD11 LEU 2 1HD1 LEU 2 -16.454 -3.451 -4.796 12 HD12 LEU 2 2HD1 LEU 2 -15.191 -3.191 -5.998 13 HD13 LEU 2 3HD1 LEU 2 -15.935 -1.812 -5.188 14 HD21 LEU 2 1HD2 LEU 2 -12.902 -4.160 -3.445 15 HD22 LEU 2 2HD2 LEU 2 -12.871 -3.582 -5.111 16 HD23 LEU 2 3HD2 LEU 2 -13.990 -4.861 -4.642 17 H GLY 3 HN GLY 3 -13.500 0.871 -3.095 18 HA2 GLY 3 HA2 GLY 3 -10.922 1.910 -3.971 19 HA3 GLY 3 HA1 GLY 3 -12.450 2.779 -3.969 20 H SER 4 HN SER 4 -12.747 1.690 -1.086 21 HA SER 4 HA SER 4 -11.554 4.005 0.180 22 HB2 SER 4 HB2 SER 4 -12.656 2.468 2.205 23 HB3 SER 4 HB1 SER 4 -13.477 3.767 1.341 24 HG SER 4 HG SER 4 -14.355 2.247 -0.051 25 H VAL 5 HN VAL 5 -11.035 0.615 -0.134 26 HA VAL 5 HA VAL 5 -9.175 0.289 2.018 27 HB VAL 5 HB VAL 5 -9.357 -1.363 -0.461 28 HG11 VAL 5 1HG1 VAL 5 -7.611 -1.562 1.565 29 HG12 VAL 5 2HG1 VAL 5 -8.169 -2.952 0.635 30 HG13 VAL 5 3HG1 VAL 5 -8.907 -2.580 2.192 31 HG21 VAL 5 1HG2 VAL 5 -11.459 -0.892 1.377 32 HG22 VAL 5 2HG2 VAL 5 -10.887 -2.540 1.636 33 HG23 VAL 5 3HG2 VAL 5 -11.419 -2.033 0.034 34 H PHE 6 HN PHE 6 -9.089 1.336 -1.273 35 HA PHE 6 HA PHE 6 -6.598 0.858 -2.204 36 HB2 PHE 6 HB2 PHE 6 -7.041 2.499 -3.713 37 HB3 PHE 6 HB1 PHE 6 -8.626 2.496 -2.945 38 HD1 PHE 6 HD1 PHE 6 -6.020 4.530 -4.010 39 HD2 PHE 6 HD2 PHE 6 -8.741 4.047 -0.774 40 HE1 PHE 6 HE1 PHE 6 -5.728 6.901 -3.415 41 HE2 PHE 6 HE2 PHE 6 -8.456 6.416 -0.175 42 HZ PHE 6 HZ PHE 6 -6.948 7.846 -1.496 43 H GLY 7 HN GLY 7 -7.439 2.796 0.522 44 HA2 GLY 7 HA2 GLY 7 -5.067 4.341 0.738 45 HA3 GLY 7 HA1 GLY 7 -6.176 3.967 2.053 46 H ARG 8 HN ARG 8 -5.992 1.171 1.976 47 HA ARG 8 HA ARG 8 -3.528 0.796 3.407 48 HB2 ARG 8 HB2 ARG 8 -5.945 -0.875 2.838 49 HB3 ARG 8 HB1 ARG 8 -4.476 -1.661 3.398 50 HG2 ARG 8 HG2 ARG 8 -5.242 -1.250 5.447 51 HG3 ARG 8 HG1 ARG 8 -4.734 0.416 5.161 52 HD2 ARG 8 HD2 ARG 8 -7.134 0.508 3.999 53 HD3 ARG 8 HD1 ARG 8 -7.448 -0.776 5.166 54 HE ARG 8 HE ARG 8 -6.196 1.544 6.308 55 HH11 ARG 8 1HH1 ARG 8 -9.236 0.080 5.420 56 HH12 ARG 8 2HH1 ARG 8 -10.157 1.001 6.560 57 HH21 ARG 8 1HH2 ARG 8 -7.403 2.757 7.809 58 HH22 ARG 8 2HH2 ARG 8 -9.116 2.523 7.918 59 H LEU 9 HN LEU 9 -4.968 -0.470 0.407 60 HA LEU 9 HA LEU 9 -2.919 -2.208 -0.323 61 HB2 LEU 9 HB2 LEU 9 -5.012 -0.701 -1.815 62 HB3 LEU 9 HB1 LEU 9 -3.730 -1.465 -2.736 63 HG LEU 9 HG LEU 9 -4.479 -3.531 -1.150 64 HD11 LEU 9 1HD1 LEU 9 -6.881 -1.771 -1.531 65 HD12 LEU 9 2HD1 LEU 9 -6.294 -2.530 -0.052 66 HD13 LEU 9 3HD1 LEU 9 -7.018 -3.517 -1.321 67 HD21 LEU 9 1HD2 LEU 9 -4.288 -3.201 -3.726 68 HD22 LEU 9 2HD2 LEU 9 -6.037 -2.996 -3.641 69 HD23 LEU 9 3HD2 LEU 9 -5.297 -4.495 -3.080 70 H ALA 10 HN ALA 10 -3.404 1.109 -1.540 71 HA ALA 10 HA ALA 10 -1.148 1.479 -3.016 72 HB1 ALA 10 HB1 ALA 10 -2.075 3.644 -1.169 73 HB2 ALA 10 HB2 ALA 10 -3.073 3.099 -2.517 74 HB3 ALA 10 HB3 ALA 10 -1.472 3.772 -2.821 75 H ARG 11 HN ARG 11 -1.286 1.104 0.405 76 HA ARG 11 HA ARG 11 1.348 2.194 0.848 77 HB2 ARG 11 HB2 ARG 11 -0.142 2.686 2.594 78 HB3 ARG 11 HB1 ARG 11 -0.808 1.062 2.609 79 HG2 ARG 11 HG2 ARG 11 1.976 0.928 3.229 80 HG3 ARG 11 HG1 ARG 11 1.207 2.143 4.249 81 HD2 ARG 11 HD2 ARG 11 0.701 0.363 5.535 82 HD3 ARG 11 HD1 ARG 11 -0.630 0.187 4.392 83 HE ARG 11 HE ARG 11 1.337 -1.256 3.246 84 HH11 ARG 11 1HH1 ARG 11 -0.018 -1.245 6.462 85 HH12 ARG 11 2HH1 ARG 11 0.284 -2.928 6.730 86 HH21 ARG 11 1HH2 ARG 11 1.735 -3.471 3.597 87 HH22 ARG 11 2HH2 ARG 11 1.279 -4.192 5.104 88 H ILE 12 HN ILE 12 -0.282 -0.989 1.007 89 HA ILE 12 HA ILE 12 1.955 -2.445 1.836 90 HB ILE 12 HB ILE 12 0.929 -4.435 1.039 91 HG12 ILE 12 2HG1 ILE 12 -1.496 -3.546 -0.152 92 HG13 ILE 12 1HG1 ILE 12 -0.173 -2.753 -0.992 93 HG21 ILE 12 1HG2 ILE 12 -1.582 -3.738 1.828 94 HG22 ILE 12 2HG2 ILE 12 -0.616 -2.416 2.486 95 HG23 ILE 12 3HG2 ILE 12 -0.238 -4.084 2.916 96 HD11 ILE 12 1HD1 ILE 12 0.155 -4.594 -2.158 97 HD12 ILE 12 2HD1 ILE 12 -1.107 -5.420 -1.244 98 HD13 ILE 12 3HD1 ILE 12 0.560 -5.450 -0.670 99 H LEU 13 HN LEU 13 1.009 -1.389 -1.376 100 HA LEU 13 HA LEU 13 2.919 -2.911 -2.802 101 HB2 LEU 13 HB2 LEU 13 2.755 -0.692 -4.344 102 HB3 LEU 13 HB1 LEU 13 1.613 -2.018 -4.406 103 HG LEU 13 HG LEU 13 0.932 0.035 -2.425 104 HD11 LEU 13 1HD1 LEU 13 0.304 0.903 -5.167 105 HD12 LEU 13 2HD1 LEU 13 1.983 1.105 -4.669 106 HD13 LEU 13 3HD1 LEU 13 0.689 1.853 -3.733 107 HD21 LEU 13 1HD2 LEU 13 -1.279 -0.259 -3.465 108 HD22 LEU 13 2HD2 LEU 13 -0.556 -1.805 -3.026 109 HD23 LEU 13 3HD2 LEU 13 -0.553 -1.276 -4.707 110 H GLY 14 HN GLY 14 2.993 0.125 -1.065 111 HA2 GLY 14 HA2 GLY 14 5.641 0.861 -1.891 112 HA3 GLY 14 HA1 GLY 14 4.763 1.509 -0.509 113 H ARG 15 HN ARG 15 4.361 -1.459 0.237 114 HA ARG 15 HA ARG 15 6.847 -1.712 1.779 115 HB2 ARG 15 HB2 ARG 15 4.045 -2.709 2.178 116 HB3 ARG 15 HB1 ARG 15 5.388 -3.487 3.005 117 HG2 ARG 15 HG2 ARG 15 4.550 -1.917 4.526 118 HG3 ARG 15 HG1 ARG 15 6.007 -1.179 3.857 119 HD2 ARG 15 HD2 ARG 15 4.511 -0.003 2.204 120 HD3 ARG 15 HD1 ARG 15 3.143 -0.577 3.153 121 HE ARG 15 HE ARG 15 4.852 1.612 3.770 122 HH11 ARG 15 1HH1 ARG 15 2.992 -0.948 5.240 123 HH12 ARG 15 2HH1 ARG 15 2.757 -0.094 6.727 124 HH21 ARG 15 1HH2 ARG 15 4.544 2.738 5.723 125 HH22 ARG 15 2HH2 ARG 15 3.638 2.001 7.001 126 H VAL 16 HN VAL 16 6.589 -2.444 -1.033 127 HA VAL 16 HA VAL 16 7.031 -5.353 -0.864 128 HB VAL 16 HB VAL 16 5.156 -4.351 -2.438 129 HG11 VAL 16 1HG1 VAL 16 5.920 -3.951 -4.718 130 HG12 VAL 16 2HG1 VAL 16 7.596 -4.076 -4.188 131 HG13 VAL 16 3HG1 VAL 16 6.585 -2.754 -3.610 132 HG21 VAL 16 1HG2 VAL 16 7.095 -6.439 -3.417 133 HG22 VAL 16 2HG2 VAL 16 5.413 -6.253 -3.915 134 HG23 VAL 16 3HG2 VAL 16 5.796 -6.710 -2.255 135 H ILE 17 HN ILE 17 7.957 -2.345 -2.387 136 HA ILE 17 HA ILE 17 10.720 -2.994 -1.975 137 HB ILE 17 HB ILE 17 9.709 -2.396 -4.770 138 HG12 ILE 17 2HG1 ILE 17 9.435 -4.759 -4.089 139 HG13 ILE 17 1HG1 ILE 17 10.628 -4.576 -5.370 140 HG21 ILE 17 1HG2 ILE 17 11.689 -1.312 -4.874 141 HG22 ILE 17 2HG2 ILE 17 12.321 -2.944 -5.093 142 HG23 ILE 17 3HG2 ILE 17 12.364 -2.188 -3.500 143 HD11 ILE 17 1HD1 ILE 17 10.943 -5.929 -2.976 144 HD12 ILE 17 2HD1 ILE 17 11.858 -4.436 -2.767 145 HD13 ILE 17 3HD1 ILE 17 12.208 -5.502 -4.128 146 HA PRO 18 HA PRO 18 9.650 1.338 -1.371 147 HB2 PRO 18 HB2 PRO 18 10.400 1.127 1.361 148 HB3 PRO 18 HB1 PRO 18 8.757 1.186 0.721 149 HG2 PRO 18 HG2 PRO 18 9.902 -1.005 1.984 150 HG3 PRO 18 HG1 PRO 18 8.493 -1.077 0.913 151 HD2 PRO 18 HD2 PRO 18 11.344 -1.512 0.269 152 HD3 PRO 18 HD1 PRO 18 9.974 -2.499 -0.223 153 H LYS 19 HN LYS 19 11.110 2.899 -0.063 154 HA LYS 19 HA LYS 19 13.681 2.867 -1.249 155 HB2 LYS 19 HB2 LYS 19 14.060 4.971 -0.142 156 HB3 LYS 19 HB1 LYS 19 12.412 4.947 -0.752 157 HG2 LYS 19 HG2 LYS 19 11.651 5.424 1.266 158 HG3 LYS 19 HG1 LYS 19 12.364 3.938 1.896 159 HD2 LYS 19 HD2 LYS 19 14.482 5.768 1.587 160 HD3 LYS 19 HD1 LYS 19 13.158 6.663 2.332 161 HE2 LYS 19 HE2 LYS 19 13.436 5.620 4.284 162 HE3 LYS 19 HE1 LYS 19 13.489 4.036 3.513 163 HZ1 LYS 19 HZ1 LYS 19 15.826 4.440 2.975 164 HZ2 LYS 19 HZ2 LYS 19 15.554 4.489 4.644 165 HZ3 LYS 19 HZ3 LYS 19 15.763 5.928 3.779 166 H VAL 20 HN VAL 20 12.435 1.906 1.857 167 HA VAL 20 HA VAL 20 13.380 0.886 3.659 168 HB VAL 20 HB VAL 20 15.693 0.222 1.841 169 HG11 VAL 20 1HG1 VAL 20 16.235 -0.399 4.033 170 HG12 VAL 20 2HG1 VAL 20 15.629 -1.881 3.293 171 HG13 VAL 20 3HG1 VAL 20 14.595 -0.949 4.377 172 HG21 VAL 20 1HG2 VAL 20 14.118 -0.712 0.526 173 HG22 VAL 20 2HG2 VAL 20 12.900 -0.705 1.802 174 HG23 VAL 20 3HG2 VAL 20 14.120 -1.977 1.755 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -14.262 -3.521 1.824 2 H2 GLY 1 HT2 GLY 1 -12.891 -3.411 0.841 3 H3 GLY 1 HT3 GLY 1 -14.394 -3.775 0.157 4 HA2 GLY 1 HA1 GLY 1 -15.087 -1.505 1.203 5 HA3 GLY 1 HA2 GLY 1 -13.359 -1.204 1.122 6 H LEU 2 HN LEU 2 -12.455 -2.057 -1.154 7 HA LEU 2 HA LEU 2 -12.394 -1.799 -3.421 8 HB2 LEU 2 HB2 LEU 2 -15.144 -2.339 -2.894 9 HB3 LEU 2 HB1 LEU 2 -15.067 -1.056 -4.085 10 HG LEU 2 HG LEU 2 -15.207 -3.134 -5.252 11 HD11 LEU 2 1HD1 LEU 2 -13.416 -2.921 -6.711 12 HD12 LEU 2 2HD1 LEU 2 -12.292 -2.482 -5.425 13 HD13 LEU 2 3HD1 LEU 2 -13.512 -1.327 -5.962 14 HD21 LEU 2 1HD2 LEU 2 -14.035 -4.276 -3.116 15 HD22 LEU 2 2HD2 LEU 2 -12.670 -4.234 -4.232 16 HD23 LEU 2 3HD2 LEU 2 -14.162 -5.053 -4.695 17 H GLY 3 HN GLY 3 -11.174 0.088 -3.039 18 HA2 GLY 3 HA2 GLY 3 -10.880 2.262 -3.986 19 HA3 GLY 3 HA1 GLY 3 -12.605 2.543 -3.791 20 H SER 4 HN SER 4 -12.718 1.534 -1.088 21 HA SER 4 HA SER 4 -11.817 3.920 0.288 22 HB2 SER 4 HB2 SER 4 -13.218 1.508 1.468 23 HB3 SER 4 HB1 SER 4 -13.107 3.125 2.163 24 HG SER 4 HG SER 4 -14.361 2.583 -0.320 25 H VAL 5 HN VAL 5 -11.092 0.535 0.072 26 HA VAL 5 HA VAL 5 -9.182 0.484 2.227 27 HB VAL 5 HB VAL 5 -9.406 -1.481 -0.004 28 HG11 VAL 5 1HG1 VAL 5 -8.114 -1.397 2.627 29 HG12 VAL 5 2HG1 VAL 5 -7.696 -2.327 1.188 30 HG13 VAL 5 3HG1 VAL 5 -8.960 -2.903 2.274 31 HG21 VAL 5 1HG2 VAL 5 -11.510 -0.779 1.740 32 HG22 VAL 5 2HG2 VAL 5 -10.910 -2.349 2.272 33 HG23 VAL 5 3HG2 VAL 5 -11.446 -2.128 0.606 34 H PHE 6 HN PHE 6 -9.215 1.124 -1.174 35 HA PHE 6 HA PHE 6 -6.754 0.527 -2.117 36 HB2 PHE 6 HB2 PHE 6 -7.253 1.947 -3.809 37 HB3 PHE 6 HB1 PHE 6 -8.798 2.105 -2.982 38 HD1 PHE 6 HD1 PHE 6 -8.659 3.922 -0.968 39 HD2 PHE 6 HD2 PHE 6 -6.292 3.904 -4.504 40 HE1 PHE 6 HE1 PHE 6 -8.280 6.339 -0.720 41 HE2 PHE 6 HE2 PHE 6 -5.908 6.322 -4.264 42 HZ PHE 6 HZ PHE 6 -6.902 7.543 -2.369 43 H GLY 7 HN GLY 7 -7.505 2.782 0.380 44 HA2 GLY 7 HA2 GLY 7 -5.140 4.341 0.341 45 HA3 GLY 7 HA1 GLY 7 -6.186 4.097 1.735 46 H ARG 8 HN ARG 8 -5.987 1.323 1.960 47 HA ARG 8 HA ARG 8 -3.461 1.098 3.304 48 HB2 ARG 8 HB2 ARG 8 -5.870 -0.652 2.980 49 HB3 ARG 8 HB1 ARG 8 -4.369 -1.356 3.567 50 HG2 ARG 8 HG2 ARG 8 -5.048 -0.749 5.593 51 HG3 ARG 8 HG1 ARG 8 -4.636 0.899 5.116 52 HD2 ARG 8 HD2 ARG 8 -7.259 0.097 4.163 53 HD3 ARG 8 HD1 ARG 8 -7.124 -0.016 5.917 54 HE ARG 8 HE ARG 8 -7.119 2.383 4.318 55 HH11 ARG 8 1HH1 ARG 8 -6.246 0.966 7.386 56 HH12 ARG 8 2HH1 ARG 8 -6.284 2.475 8.234 57 HH21 ARG 8 1HH2 ARG 8 -7.171 4.368 5.435 58 HH22 ARG 8 2HH2 ARG 8 -6.810 4.404 7.129 59 H LEU 9 HN LEU 9 -4.998 -0.414 0.478 60 HA LEU 9 HA LEU 9 -2.986 -2.214 -0.186 61 HB2 LEU 9 HB2 LEU 9 -5.191 -0.881 -1.619 62 HB3 LEU 9 HB1 LEU 9 -3.892 -1.477 -2.636 63 HG LEU 9 HG LEU 9 -4.311 -3.662 -1.108 64 HD11 LEU 9 1HD1 LEU 9 -7.126 -2.934 -1.581 65 HD12 LEU 9 2HD1 LEU 9 -6.338 -2.134 -0.221 66 HD13 LEU 9 3HD1 LEU 9 -6.398 -3.895 -0.294 67 HD21 LEU 9 1HD2 LEU 9 -4.492 -3.066 -3.712 68 HD22 LEU 9 2HD2 LEU 9 -6.196 -3.358 -3.363 69 HD23 LEU 9 3HD2 LEU 9 -5.002 -4.615 -3.041 70 H ALA 10 HN ALA 10 -3.438 1.089 -1.443 71 HA ALA 10 HA ALA 10 -1.255 1.331 -3.077 72 HB1 ALA 10 HB1 ALA 10 -2.563 3.369 -1.300 73 HB2 ALA 10 HB2 ALA 10 -2.823 3.089 -3.022 74 HB3 ALA 10 HB3 ALA 10 -1.300 3.778 -2.461 75 H ARG 11 HN ARG 11 -1.231 1.059 0.355 76 HA ARG 11 HA ARG 11 1.438 2.120 0.643 77 HB2 ARG 11 HB2 ARG 11 0.020 2.679 2.438 78 HB3 ARG 11 HB1 ARG 11 -0.628 1.052 2.548 79 HG2 ARG 11 HG2 ARG 11 2.145 0.861 3.026 80 HG3 ARG 11 HG1 ARG 11 1.547 2.226 3.966 81 HD2 ARG 11 HD2 ARG 11 0.853 0.750 5.480 82 HD3 ARG 11 HD1 ARG 11 -0.374 0.252 4.317 83 HE ARG 11 HE ARG 11 1.713 -1.235 3.564 84 HH11 ARG 11 1HH1 ARG 11 0.324 -0.654 6.714 85 HH12 ARG 11 2HH1 ARG 11 0.792 -2.198 7.341 86 HH21 ARG 11 1HH2 ARG 11 2.325 -3.267 4.389 87 HH22 ARG 11 2HH2 ARG 11 1.926 -3.681 6.023 88 H ILE 12 HN ILE 12 -0.220 -1.039 0.942 89 HA ILE 12 HA ILE 12 1.975 -2.528 1.764 90 HB ILE 12 HB ILE 12 0.955 -4.503 0.850 91 HG12 ILE 12 2HG1 ILE 12 -1.471 -3.371 -0.239 92 HG13 ILE 12 1HG1 ILE 12 -0.069 -2.790 -1.124 93 HG21 ILE 12 1HG2 ILE 12 -1.508 -3.909 1.759 94 HG22 ILE 12 2HG2 ILE 12 -0.600 -2.538 2.396 95 HG23 ILE 12 3HG2 ILE 12 -0.116 -4.183 2.806 96 HD11 ILE 12 1HD1 ILE 12 0.216 -4.740 -2.135 97 HD12 ILE 12 2HD1 ILE 12 -1.382 -5.168 -1.525 98 HD13 ILE 12 3HD1 ILE 12 0.061 -5.636 -0.625 99 H LEU 13 HN LEU 13 1.126 -1.412 -1.447 100 HA LEU 13 HA LEU 13 3.060 -2.939 -2.850 101 HB2 LEU 13 HB2 LEU 13 2.930 -0.685 -4.358 102 HB3 LEU 13 HB1 LEU 13 1.808 -2.023 -4.485 103 HG LEU 13 HG LEU 13 1.062 0.008 -2.494 104 HD11 LEU 13 1HD1 LEU 13 0.096 1.277 -4.653 105 HD12 LEU 13 2HD1 LEU 13 1.644 0.728 -5.295 106 HD13 LEU 13 3HD1 LEU 13 1.596 1.734 -3.847 107 HD21 LEU 13 1HD2 LEU 13 -1.124 -0.415 -3.372 108 HD22 LEU 13 2HD2 LEU 13 -0.300 -1.965 -3.233 109 HD23 LEU 13 3HD2 LEU 13 -0.457 -1.189 -4.808 110 H GLY 14 HN GLY 14 3.070 0.084 -1.089 111 HA2 GLY 14 HA2 GLY 14 5.730 0.847 -1.831 112 HA3 GLY 14 HA1 GLY 14 4.816 1.460 -0.455 113 H ARG 15 HN ARG 15 4.418 -1.525 0.230 114 HA ARG 15 HA ARG 15 6.880 -1.792 1.812 115 HB2 ARG 15 HB2 ARG 15 4.082 -2.837 2.130 116 HB3 ARG 15 HB1 ARG 15 5.420 -3.610 2.968 117 HG2 ARG 15 HG2 ARG 15 4.401 -2.054 4.457 118 HG3 ARG 15 HG1 ARG 15 5.976 -1.411 3.986 119 HD2 ARG 15 HD2 ARG 15 4.913 0.056 2.366 120 HD3 ARG 15 HD1 ARG 15 3.336 -0.620 2.766 121 HE ARG 15 HE ARG 15 4.084 0.276 5.143 122 HH11 ARG 15 1HH1 ARG 15 4.305 1.822 2.017 123 HH12 ARG 15 2HH1 ARG 15 4.190 3.423 2.665 124 HH21 ARG 15 1HH2 ARG 15 3.925 2.383 5.988 125 HH22 ARG 15 2HH2 ARG 15 3.974 3.742 4.915 126 H VAL 16 HN VAL 16 6.672 -2.471 -1.029 127 HA VAL 16 HA VAL 16 7.152 -5.377 -0.901 128 HB VAL 16 HB VAL 16 5.285 -4.358 -2.492 129 HG11 VAL 16 1HG1 VAL 16 6.095 -3.972 -4.766 130 HG12 VAL 16 2HG1 VAL 16 7.759 -4.082 -4.196 131 HG13 VAL 16 3HG1 VAL 16 6.725 -2.765 -3.647 132 HG21 VAL 16 1HG2 VAL 16 7.244 -6.472 -3.372 133 HG22 VAL 16 2HG2 VAL 16 5.614 -6.253 -4.008 134 HG23 VAL 16 3HG2 VAL 16 5.848 -6.712 -2.321 135 H ILE 17 HN ILE 17 8.045 -2.334 -2.371 136 HA ILE 17 HA ILE 17 10.813 -2.938 -1.934 137 HB ILE 17 HB ILE 17 9.819 -2.325 -4.734 138 HG12 ILE 17 2HG1 ILE 17 9.595 -4.704 -4.096 139 HG13 ILE 17 1HG1 ILE 17 10.800 -4.470 -5.358 140 HG21 ILE 17 1HG2 ILE 17 11.772 -1.196 -4.807 141 HG22 ILE 17 2HG2 ILE 17 12.445 -2.810 -5.038 142 HG23 ILE 17 3HG2 ILE 17 12.455 -2.072 -3.437 143 HD11 ILE 17 1HD1 ILE 17 11.115 -5.867 -2.995 144 HD12 ILE 17 2HD1 ILE 17 11.984 -4.355 -2.729 145 HD13 ILE 17 3HD1 ILE 17 12.389 -5.374 -4.111 146 HA PRO 18 HA PRO 18 9.658 1.368 -1.290 147 HB2 PRO 18 HB2 PRO 18 10.403 1.153 1.441 148 HB3 PRO 18 HB1 PRO 18 8.761 1.172 0.798 149 HG2 PRO 18 HG2 PRO 18 9.974 -0.997 2.046 150 HG3 PRO 18 HG1 PRO 18 8.553 -1.095 0.992 151 HD2 PRO 18 HD2 PRO 18 11.405 -1.473 0.317 152 HD3 PRO 18 HD1 PRO 18 10.045 -2.472 -0.178 153 H LYS 19 HN LYS 19 11.094 2.946 0.022 154 HA LYS 19 HA LYS 19 13.656 2.982 -1.167 155 HB2 LYS 19 HB2 LYS 19 14.035 5.038 0.057 156 HB3 LYS 19 HB1 LYS 19 12.407 5.038 -0.604 157 HG2 LYS 19 HG2 LYS 19 11.499 5.263 1.407 158 HG3 LYS 19 HG1 LYS 19 12.456 3.937 2.066 159 HD2 LYS 19 HD2 LYS 19 14.072 6.297 1.598 160 HD3 LYS 19 HD1 LYS 19 12.712 6.639 2.669 161 HE2 LYS 19 HE2 LYS 19 14.070 5.862 4.279 162 HE3 LYS 19 HE1 LYS 19 13.596 4.275 3.674 163 HZ1 LYS 19 HZ1 LYS 19 15.996 5.785 2.787 164 HZ2 LYS 19 HZ2 LYS 19 15.557 4.227 2.295 165 HZ3 LYS 19 HZ3 LYS 19 16.008 4.512 3.901 166 H VAL 20 HN VAL 20 12.460 1.921 1.928 167 HA VAL 20 HA VAL 20 13.430 0.755 3.623 168 HB VAL 20 HB VAL 20 15.803 0.437 1.781 169 HG11 VAL 20 1HG1 VAL 20 16.525 -0.255 3.873 170 HG12 VAL 20 2HG1 VAL 20 15.935 -1.754 3.154 171 HG13 VAL 20 3HG1 VAL 20 14.940 -0.885 4.323 172 HG21 VAL 20 1HG2 VAL 20 14.743 -1.181 0.631 173 HG22 VAL 20 2HG2 VAL 20 13.282 -0.363 1.184 174 HG23 VAL 20 3HG2 VAL 20 13.885 -1.773 2.054 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -15.853 -1.731 1.613 2 H2 GLY 1 HT2 GLY 1 -14.864 -2.474 2.767 3 H3 GLY 1 HT3 GLY 1 -15.566 -3.397 1.536 4 HA2 GLY 1 HA1 GLY 1 -13.569 -1.243 1.112 5 HA3 GLY 1 HA2 GLY 1 -13.191 -2.959 1.144 6 H LEU 2 HN LEU 2 -13.146 -0.717 -0.956 7 HA LEU 2 HA LEU 2 -13.326 -2.126 -3.262 8 HB2 LEU 2 HB2 LEU 2 -15.961 -1.815 -2.247 9 HB3 LEU 2 HB1 LEU 2 -15.826 -0.751 -3.628 10 HG LEU 2 HG LEU 2 -16.719 -2.956 -4.238 11 HD11 LEU 2 1HD1 LEU 2 -14.679 -3.464 -5.895 12 HD12 LEU 2 2HD1 LEU 2 -14.227 -1.844 -5.363 13 HD13 LEU 2 3HD1 LEU 2 -15.796 -2.117 -6.121 14 HD21 LEU 2 1HD2 LEU 2 -14.192 -3.870 -2.951 15 HD22 LEU 2 2HD2 LEU 2 -14.837 -4.784 -4.314 16 HD23 LEU 2 3HD2 LEU 2 -15.815 -4.555 -2.865 17 H GLY 3 HN GLY 3 -11.597 -0.465 -3.096 18 HA2 GLY 3 HA2 GLY 3 -10.817 1.329 -4.456 19 HA3 GLY 3 HA1 GLY 3 -12.456 1.969 -4.499 20 H SER 4 HN SER 4 -12.771 1.521 -1.593 21 HA SER 4 HA SER 4 -11.624 4.024 -0.695 22 HB2 SER 4 HB2 SER 4 -13.096 2.250 1.191 23 HB3 SER 4 HB1 SER 4 -13.213 3.995 0.966 24 HG SER 4 HG SER 4 -14.420 1.929 -0.523 25 H VAL 5 HN VAL 5 -11.126 0.639 -0.419 26 HA VAL 5 HA VAL 5 -9.454 0.620 1.899 27 HB VAL 5 HB VAL 5 -9.388 -1.352 -0.337 28 HG11 VAL 5 1HG1 VAL 5 -7.744 -1.466 1.569 29 HG12 VAL 5 2HG1 VAL 5 -8.695 -2.927 1.305 30 HG13 VAL 5 3HG1 VAL 5 -9.110 -1.829 2.622 31 HG21 VAL 5 1HG2 VAL 5 -11.631 -0.719 1.400 32 HG22 VAL 5 2HG2 VAL 5 -11.155 -2.414 1.497 33 HG23 VAL 5 3HG2 VAL 5 -11.578 -1.704 -0.061 34 H PHE 6 HN PHE 6 -9.087 1.344 -1.429 35 HA PHE 6 HA PHE 6 -6.557 0.730 -2.144 36 HB2 PHE 6 HB2 PHE 6 -6.852 2.244 -3.806 37 HB3 PHE 6 HB1 PHE 6 -8.480 2.349 -3.144 38 HD1 PHE 6 HD1 PHE 6 -9.018 4.213 -1.546 39 HD2 PHE 6 HD2 PHE 6 -5.414 4.099 -3.806 40 HE1 PHE 6 HE1 PHE 6 -8.710 6.622 -1.165 41 HE2 PHE 6 HE2 PHE 6 -5.098 6.510 -3.428 42 HZ PHE 6 HZ PHE 6 -6.747 7.774 -2.106 43 H GLY 7 HN GLY 7 -7.503 2.881 0.377 44 HA2 GLY 7 HA2 GLY 7 -5.100 4.372 0.637 45 HA3 GLY 7 HA1 GLY 7 -6.299 4.123 1.900 46 H ARG 8 HN ARG 8 -6.209 1.328 2.034 47 HA ARG 8 HA ARG 8 -3.914 0.962 3.694 48 HB2 ARG 8 HB2 ARG 8 -6.313 -0.614 2.953 49 HB3 ARG 8 HB1 ARG 8 -4.904 -1.541 3.449 50 HG2 ARG 8 HG2 ARG 8 -5.832 -1.273 5.485 51 HG3 ARG 8 HG1 ARG 8 -4.946 0.252 5.428 52 HD2 ARG 8 HD2 ARG 8 -7.581 0.390 4.177 53 HD3 ARG 8 HD1 ARG 8 -7.640 -0.027 5.889 54 HE ARG 8 HE ARG 8 -6.951 2.505 4.755 55 HH11 ARG 8 1HH1 ARG 8 -6.453 0.404 7.497 56 HH12 ARG 8 2HH1 ARG 8 -6.025 1.696 8.567 57 HH21 ARG 8 1HH2 ARG 8 -6.380 4.204 6.162 58 HH22 ARG 8 2HH2 ARG 8 -5.983 3.850 7.811 59 H LEU 9 HN LEU 9 -5.013 -0.599 0.673 60 HA LEU 9 HA LEU 9 -2.747 -2.164 0.238 61 HB2 LEU 9 HB2 LEU 9 -4.628 -0.896 -1.751 62 HB3 LEU 9 HB1 LEU 9 -3.419 -2.093 -2.175 63 HG LEU 9 HG LEU 9 -4.801 -3.333 -0.138 64 HD11 LEU 9 1HD1 LEU 9 -6.697 -1.672 -1.777 65 HD12 LEU 9 2HD1 LEU 9 -6.548 -1.740 -0.021 66 HD13 LEU 9 3HD1 LEU 9 -7.189 -3.124 -0.906 67 HD21 LEU 9 1HD2 LEU 9 -4.051 -3.954 -2.615 68 HD22 LEU 9 2HD2 LEU 9 -5.774 -3.723 -2.910 69 HD23 LEU 9 3HD2 LEU 9 -5.234 -4.907 -1.719 70 H ALA 10 HN ALA 10 -3.347 1.209 -0.426 71 HA ALA 10 HA ALA 10 -1.398 1.891 -2.226 72 HB1 ALA 10 HB1 ALA 10 -2.484 3.374 0.144 73 HB2 ALA 10 HB2 ALA 10 -2.887 3.570 -1.562 74 HB3 ALA 10 HB3 ALA 10 -1.316 4.099 -0.961 75 H ARG 11 HN ARG 11 -0.926 0.768 0.994 76 HA ARG 11 HA ARG 11 1.758 1.796 1.181 77 HB2 ARG 11 HB2 ARG 11 1.759 1.092 3.414 78 HB3 ARG 11 HB1 ARG 11 0.109 1.621 3.133 79 HG2 ARG 11 HG2 ARG 11 -0.292 -0.910 2.599 80 HG3 ARG 11 HG1 ARG 11 1.176 -1.126 3.551 81 HD2 ARG 11 HD2 ARG 11 -1.341 0.278 4.442 82 HD3 ARG 11 HD1 ARG 11 -0.806 -1.322 4.953 83 HE ARG 11 HE ARG 11 1.096 0.775 5.474 84 HH11 ARG 11 1HH1 ARG 11 -1.675 -0.956 6.700 85 HH12 ARG 11 2HH1 ARG 11 -1.329 -0.588 8.356 86 HH21 ARG 11 1HH2 ARG 11 1.550 1.263 7.653 87 HH22 ARG 11 2HH2 ARG 11 0.500 0.672 8.897 88 H ILE 12 HN ILE 12 0.142 -1.369 0.833 89 HA ILE 12 HA ILE 12 2.405 -2.966 1.029 90 HB ILE 12 HB ILE 12 1.274 -4.625 -0.349 91 HG12 ILE 12 2HG1 ILE 12 -1.188 -2.989 -0.584 92 HG13 ILE 12 1HG1 ILE 12 0.118 -2.598 -1.695 93 HG21 ILE 12 1HG2 ILE 12 -0.939 -3.657 1.343 94 HG22 ILE 12 2HG2 ILE 12 0.627 -3.836 2.133 95 HG23 ILE 12 3HG2 ILE 12 -0.118 -5.217 1.329 96 HD11 ILE 12 1HD1 ILE 12 -0.456 -4.292 -2.985 97 HD12 ILE 12 2HD1 ILE 12 -1.787 -4.661 -1.889 98 HD13 ILE 12 3HD1 ILE 12 -0.212 -5.418 -1.650 99 H LEU 13 HN LEU 13 1.263 -1.034 -1.643 100 HA LEU 13 HA LEU 13 3.034 -2.111 -3.595 101 HB2 LEU 13 HB2 LEU 13 2.705 0.450 -4.452 102 HB3 LEU 13 HB1 LEU 13 1.612 -0.867 -4.815 103 HG LEU 13 HG LEU 13 1.050 0.596 -2.314 104 HD11 LEU 13 1HD1 LEU 13 0.228 1.900 -4.873 105 HD12 LEU 13 2HD1 LEU 13 1.788 2.285 -4.147 106 HD13 LEU 13 3HD1 LEU 13 0.300 2.571 -3.244 107 HD21 LEU 13 1HD2 LEU 13 -1.221 0.244 -3.008 108 HD22 LEU 13 2HD2 LEU 13 -0.331 -1.254 -3.268 109 HD23 LEU 13 3HD2 LEU 13 -0.706 -0.204 -4.633 110 H GLY 14 HN GLY 14 3.267 0.174 -1.009 111 HA2 GLY 14 HA2 GLY 14 5.960 0.992 -1.863 112 HA3 GLY 14 HA1 GLY 14 5.030 1.699 -0.546 113 H ARG 15 HN ARG 15 4.397 -1.257 0.182 114 HA ARG 15 HA ARG 15 6.782 -1.619 1.866 115 HB2 ARG 15 HB2 ARG 15 3.912 -2.452 2.126 116 HB3 ARG 15 HB1 ARG 15 5.160 -3.310 3.017 117 HG2 ARG 15 HG2 ARG 15 4.371 -1.710 4.513 118 HG3 ARG 15 HG1 ARG 15 5.869 -1.016 3.887 119 HD2 ARG 15 HD2 ARG 15 4.540 0.290 2.264 120 HD3 ARG 15 HD1 ARG 15 3.068 -0.356 2.987 121 HE ARG 15 HE ARG 15 4.318 0.740 5.101 122 HH11 ARG 15 1HH1 ARG 15 3.572 1.977 1.923 123 HH12 ARG 15 2HH1 ARG 15 3.427 3.616 2.460 124 HH21 ARG 15 1HH2 ARG 15 4.135 2.899 5.803 125 HH22 ARG 15 2HH2 ARG 15 3.749 4.140 4.659 126 H VAL 16 HN VAL 16 6.618 -2.375 -0.957 127 HA VAL 16 HA VAL 16 6.922 -5.301 -0.731 128 HB VAL 16 HB VAL 16 5.141 -4.709 -2.324 129 HG11 VAL 16 1HG1 VAL 16 5.493 -3.404 -4.269 130 HG12 VAL 16 2HG1 VAL 16 7.231 -3.320 -3.981 131 HG13 VAL 16 3HG1 VAL 16 6.118 -2.469 -2.911 132 HG21 VAL 16 1HG2 VAL 16 7.672 -5.838 -3.489 133 HG22 VAL 16 2HG2 VAL 16 6.138 -5.831 -4.359 134 HG23 VAL 16 3HG2 VAL 16 6.284 -6.710 -2.838 135 H ILE 17 HN ILE 17 8.020 -2.371 -2.302 136 HA ILE 17 HA ILE 17 10.744 -3.092 -1.769 137 HB ILE 17 HB ILE 17 9.876 -2.505 -4.614 138 HG12 ILE 17 2HG1 ILE 17 9.394 -4.830 -3.918 139 HG13 ILE 17 1HG1 ILE 17 10.643 -4.751 -5.155 140 HG21 ILE 17 1HG2 ILE 17 11.933 -1.589 -4.670 141 HG22 ILE 17 2HG2 ILE 17 12.459 -3.267 -4.792 142 HG23 ILE 17 3HG2 ILE 17 12.472 -2.450 -3.229 143 HD11 ILE 17 1HD1 ILE 17 12.133 -5.739 -3.839 144 HD12 ILE 17 2HD1 ILE 17 10.776 -6.137 -2.786 145 HD13 ILE 17 3HD1 ILE 17 11.742 -4.695 -2.472 146 HA PRO 18 HA PRO 18 9.795 1.291 -1.352 147 HB2 PRO 18 HB2 PRO 18 10.517 1.180 1.393 148 HB3 PRO 18 HB1 PRO 18 8.881 1.250 0.736 149 HG2 PRO 18 HG2 PRO 18 9.969 -0.913 2.101 150 HG3 PRO 18 HG1 PRO 18 8.558 -0.993 1.033 151 HD2 PRO 18 HD2 PRO 18 11.394 -1.544 0.415 152 HD3 PRO 18 HD1 PRO 18 9.992 -2.500 -0.046 153 H LYS 19 HN LYS 19 11.289 2.864 -0.102 154 HA LYS 19 HA LYS 19 13.846 2.748 -1.285 155 HB2 LYS 19 HB2 LYS 19 14.310 4.833 -0.137 156 HB3 LYS 19 HB1 LYS 19 12.684 4.871 -0.803 157 HG2 LYS 19 HG2 LYS 19 11.798 5.241 1.193 158 HG3 LYS 19 HG1 LYS 19 12.652 3.866 1.895 159 HD2 LYS 19 HD2 LYS 19 14.369 6.172 1.359 160 HD3 LYS 19 HD1 LYS 19 13.084 6.500 2.523 161 HE2 LYS 19 HE2 LYS 19 14.518 5.636 4.018 162 HE3 LYS 19 HE1 LYS 19 13.975 4.083 3.383 163 HZ1 LYS 19 HZ1 LYS 19 15.849 4.003 1.929 164 HZ2 LYS 19 HZ2 LYS 19 16.419 4.325 3.488 165 HZ3 LYS 19 HZ3 LYS 19 16.326 5.572 2.348 166 H VAL 20 HN VAL 20 12.622 1.780 1.819 167 HA VAL 20 HA VAL 20 13.570 0.704 3.586 168 HB VAL 20 HB VAL 20 15.895 0.121 1.752 169 HG11 VAL 20 1HG1 VAL 20 16.603 -0.709 3.740 170 HG12 VAL 20 2HG1 VAL 20 15.608 -2.077 3.241 171 HG13 VAL 20 3HG1 VAL 20 14.967 -0.888 4.375 172 HG21 VAL 20 1HG2 VAL 20 14.325 -0.811 0.428 173 HG22 VAL 20 2HG2 VAL 20 13.121 -0.868 1.716 174 HG23 VAL 20 3HG2 VAL 20 14.373 -2.106 1.624 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -15.329 -1.186 1.633 2 H2 GLY 1 HT2 GLY 1 -15.042 -2.825 1.934 3 H3 GLY 1 HT3 GLY 1 -15.931 -2.359 0.573 4 HA2 GLY 1 HA1 GLY 1 -13.164 -1.417 0.924 5 HA3 GLY 1 HA2 GLY 1 -13.470 -3.026 0.288 6 H LEU 2 HN LEU 2 -12.374 -2.223 -1.639 7 HA LEU 2 HA LEU 2 -12.411 -1.559 -3.814 8 HB2 LEU 2 HB2 LEU 2 -15.380 -1.287 -3.321 9 HB3 LEU 2 HB1 LEU 2 -14.615 -1.165 -4.893 10 HG LEU 2 HG LEU 2 -15.608 -3.351 -4.637 11 HD11 LEU 2 1HD1 LEU 2 -13.868 -4.558 -5.489 12 HD12 LEU 2 2HD1 LEU 2 -12.719 -3.957 -4.293 13 HD13 LEU 2 3HD1 LEU 2 -13.210 -2.928 -5.639 14 HD21 LEU 2 1HD2 LEU 2 -15.405 -3.300 -2.099 15 HD22 LEU 2 2HD2 LEU 2 -13.760 -3.893 -2.333 16 HD23 LEU 2 3HD2 LEU 2 -15.131 -4.850 -2.895 17 H GLY 3 HN GLY 3 -11.175 0.270 -3.191 18 HA2 GLY 3 HA2 GLY 3 -10.924 2.557 -3.826 19 HA3 GLY 3 HA1 GLY 3 -12.646 2.788 -3.551 20 H SER 4 HN SER 4 -12.655 1.394 -1.010 21 HA SER 4 HA SER 4 -11.760 3.586 0.663 22 HB2 SER 4 HB2 SER 4 -12.999 1.018 1.647 23 HB3 SER 4 HB1 SER 4 -13.053 2.616 2.389 24 HG SER 4 HG SER 4 -14.330 1.831 -0.022 25 H VAL 5 HN VAL 5 -11.009 0.257 0.003 26 HA VAL 5 HA VAL 5 -9.047 -0.068 2.070 27 HB VAL 5 HB VAL 5 -9.248 -1.656 -0.448 28 HG11 VAL 5 1HG1 VAL 5 -7.354 -1.989 1.191 29 HG12 VAL 5 2HG1 VAL 5 -8.286 -3.433 0.795 30 HG13 VAL 5 3HG1 VAL 5 -8.558 -2.599 2.325 31 HG21 VAL 5 1HG2 VAL 5 -11.415 -1.988 0.097 32 HG22 VAL 5 2HG2 VAL 5 -11.176 -1.505 1.776 33 HG23 VAL 5 3HG2 VAL 5 -10.734 -3.131 1.254 34 H PHE 6 HN PHE 6 -9.118 0.914 -1.276 35 HA PHE 6 HA PHE 6 -6.598 0.580 -2.197 36 HB2 PHE 6 HB2 PHE 6 -7.253 1.987 -3.827 37 HB3 PHE 6 HB1 PHE 6 -8.775 2.089 -2.950 38 HD1 PHE 6 HD1 PHE 6 -6.383 3.980 -4.522 39 HD2 PHE 6 HD2 PHE 6 -8.594 3.865 -0.889 40 HE1 PHE 6 HE1 PHE 6 -6.053 6.403 -4.249 41 HE2 PHE 6 HE2 PHE 6 -8.270 6.287 -0.610 42 HZ PHE 6 HZ PHE 6 -6.998 7.560 -2.291 43 H GLY 7 HN GLY 7 -7.573 2.603 0.421 44 HA2 GLY 7 HA2 GLY 7 -5.317 4.322 0.527 45 HA3 GLY 7 HA1 GLY 7 -6.387 3.945 1.873 46 H ARG 8 HN ARG 8 -6.002 1.156 1.907 47 HA ARG 8 HA ARG 8 -3.499 1.026 3.327 48 HB2 ARG 8 HB2 ARG 8 -5.167 -1.392 2.747 49 HB3 ARG 8 HB1 ARG 8 -4.235 -1.005 4.185 50 HG2 ARG 8 HG2 ARG 8 -6.887 0.152 3.362 51 HG3 ARG 8 HG1 ARG 8 -6.549 -0.898 4.739 52 HD2 ARG 8 HD2 ARG 8 -5.935 0.821 6.016 53 HD3 ARG 8 HD1 ARG 8 -4.896 1.484 4.755 54 HE ARG 8 HE ARG 8 -7.305 2.190 3.868 55 HH11 ARG 8 1HH1 ARG 8 -5.879 2.456 7.044 56 HH12 ARG 8 2HH1 ARG 8 -6.800 3.857 7.476 57 HH21 ARG 8 1HH2 ARG 8 -8.517 4.033 4.438 58 HH22 ARG 8 2HH2 ARG 8 -8.296 4.752 5.998 59 H LEU 9 HN LEU 9 -4.927 -0.476 0.450 60 HA LEU 9 HA LEU 9 -2.864 -2.166 -0.279 61 HB2 LEU 9 HB2 LEU 9 -4.868 -0.624 -1.893 62 HB3 LEU 9 HB1 LEU 9 -3.679 -1.646 -2.676 63 HG LEU 9 HG LEU 9 -4.935 -3.159 -0.602 64 HD11 LEU 9 1HD1 LEU 9 -6.874 -1.902 -2.538 65 HD12 LEU 9 2HD1 LEU 9 -6.779 -1.547 -0.813 66 HD13 LEU 9 3HD1 LEU 9 -7.234 -3.161 -1.357 67 HD21 LEU 9 1HD2 LEU 9 -3.903 -3.622 -3.046 68 HD22 LEU 9 2HD2 LEU 9 -5.626 -3.666 -3.422 69 HD23 LEU 9 3HD2 LEU 9 -4.962 -4.750 -2.199 70 H ALA 10 HN ALA 10 -3.360 1.135 -1.539 71 HA ALA 10 HA ALA 10 -1.144 1.484 -3.069 72 HB1 ALA 10 HB1 ALA 10 -2.342 3.511 -1.191 73 HB2 ALA 10 HB2 ALA 10 -2.852 3.181 -2.847 74 HB3 ALA 10 HB3 ALA 10 -1.262 3.878 -2.536 75 H ARG 11 HN ARG 11 -1.197 1.187 0.375 76 HA ARG 11 HA ARG 11 1.480 2.203 0.704 77 HB2 ARG 11 HB2 ARG 11 0.138 2.820 2.489 78 HB3 ARG 11 HB1 ARG 11 -0.664 1.259 2.548 79 HG2 ARG 11 HG2 ARG 11 2.222 1.221 3.115 80 HG3 ARG 11 HG1 ARG 11 1.217 2.062 4.298 81 HD2 ARG 11 HD2 ARG 11 0.911 -0.780 3.345 82 HD3 ARG 11 HD1 ARG 11 1.426 -0.247 4.948 83 HE ARG 11 HE ARG 11 -1.151 0.748 4.195 84 HH11 ARG 11 1HH1 ARG 11 0.546 -1.972 5.573 85 HH12 ARG 11 2HH1 ARG 11 -0.831 -2.547 6.452 86 HH21 ARG 11 1HH2 ARG 11 -2.964 -0.007 5.351 87 HH22 ARG 11 2HH2 ARG 11 -2.824 -1.432 6.325 88 H ILE 12 HN ILE 12 -0.228 -0.923 1.021 89 HA ILE 12 HA ILE 12 1.971 -2.412 1.864 90 HB ILE 12 HB ILE 12 0.895 -4.393 1.142 91 HG12 ILE 12 2HG1 ILE 12 -1.493 -3.554 -0.118 92 HG13 ILE 12 1HG1 ILE 12 -0.178 -2.738 -0.949 93 HG21 ILE 12 1HG2 ILE 12 -1.595 -3.679 1.887 94 HG22 ILE 12 2HG2 ILE 12 -0.684 -2.272 2.435 95 HG23 ILE 12 3HG2 ILE 12 -0.252 -3.882 3.012 96 HD11 ILE 12 1HD1 ILE 12 0.157 -4.586 -2.108 97 HD12 ILE 12 2HD1 ILE 12 -1.034 -5.454 -1.139 98 HD13 ILE 12 3HD1 ILE 12 0.650 -5.389 -0.618 99 H LEU 13 HN LEU 13 1.052 -1.401 -1.366 100 HA LEU 13 HA LEU 13 2.935 -3.017 -2.742 101 HB2 LEU 13 HB2 LEU 13 2.781 -0.900 -4.396 102 HB3 LEU 13 HB1 LEU 13 1.592 -2.185 -4.355 103 HG LEU 13 HG LEU 13 1.008 -0.018 -2.480 104 HD11 LEU 13 1HD1 LEU 13 0.561 0.696 -5.336 105 HD12 LEU 13 2HD1 LEU 13 2.134 1.028 -4.610 106 HD13 LEU 13 3HD1 LEU 13 0.675 1.735 -3.916 107 HD21 LEU 13 1HD2 LEU 13 -0.551 -1.303 -4.726 108 HD22 LEU 13 2HD2 LEU 13 -1.214 -0.269 -3.463 109 HD23 LEU 13 3HD2 LEU 13 -0.538 -1.842 -3.048 110 H GLY 14 HN GLY 14 3.039 0.052 -1.084 111 HA2 GLY 14 HA2 GLY 14 5.694 0.735 -1.961 112 HA3 GLY 14 HA1 GLY 14 4.816 1.465 -0.619 113 H ARG 15 HN ARG 15 4.397 -1.509 0.222 114 HA ARG 15 HA ARG 15 6.847 -1.676 1.835 115 HB2 ARG 15 HB2 ARG 15 4.041 -2.668 2.184 116 HB3 ARG 15 HB1 ARG 15 5.355 -3.473 3.033 117 HG2 ARG 15 HG2 ARG 15 4.519 -1.906 4.550 118 HG3 ARG 15 HG1 ARG 15 5.988 -1.169 3.907 119 HD2 ARG 15 HD2 ARG 15 4.408 -0.071 2.190 120 HD3 ARG 15 HD1 ARG 15 3.126 -0.500 3.319 121 HE ARG 15 HE ARG 15 4.952 1.651 3.568 122 HH11 ARG 15 1HH1 ARG 15 3.275 -0.750 5.471 123 HH12 ARG 15 2HH1 ARG 15 3.292 0.205 6.915 124 HH21 ARG 15 1HH2 ARG 15 4.967 2.907 5.465 125 HH22 ARG 15 2HH2 ARG 15 4.250 2.280 6.912 126 H VAL 16 HN VAL 16 6.666 -2.495 -0.972 127 HA VAL 16 HA VAL 16 7.160 -5.388 -0.698 128 HB VAL 16 HB VAL 16 5.291 -4.517 -2.333 129 HG11 VAL 16 1HG1 VAL 16 6.079 -4.118 -4.611 130 HG12 VAL 16 2HG1 VAL 16 7.747 -4.139 -4.042 131 HG13 VAL 16 3HG1 VAL 16 6.651 -2.868 -3.509 132 HG21 VAL 16 1HG2 VAL 16 7.369 -6.543 -3.143 133 HG22 VAL 16 2HG2 VAL 16 5.757 -6.407 -3.845 134 HG23 VAL 16 3HG2 VAL 16 5.944 -6.831 -2.144 135 H ILE 17 HN ILE 17 8.056 -2.418 -2.308 136 HA ILE 17 HA ILE 17 10.825 -3.001 -1.837 137 HB ILE 17 HB ILE 17 9.831 -2.514 -4.661 138 HG12 ILE 17 2HG1 ILE 17 9.597 -4.859 -3.907 139 HG13 ILE 17 1HG1 ILE 17 10.792 -4.691 -5.188 140 HG21 ILE 17 1HG2 ILE 17 11.788 -1.407 -4.809 141 HG22 ILE 17 2HG2 ILE 17 12.463 -3.031 -4.931 142 HG23 ILE 17 3HG2 ILE 17 12.463 -2.190 -3.381 143 HD11 ILE 17 1HD1 ILE 17 12.379 -5.561 -3.915 144 HD12 ILE 17 2HD1 ILE 17 11.119 -5.964 -2.748 145 HD13 ILE 17 3HD1 ILE 17 12.016 -4.454 -2.591 146 HA PRO 18 HA PRO 18 9.660 1.327 -1.381 147 HB2 PRO 18 HB2 PRO 18 10.378 1.219 1.365 148 HB3 PRO 18 HB1 PRO 18 8.743 1.219 0.701 149 HG2 PRO 18 HG2 PRO 18 9.926 -0.904 2.048 150 HG3 PRO 18 HG1 PRO 18 8.526 -1.040 0.969 151 HD2 PRO 18 HD2 PRO 18 11.392 -1.439 0.363 152 HD3 PRO 18 HD1 PRO 18 10.045 -2.464 -0.112 153 H LYS 19 HN LYS 19 11.064 2.958 -0.105 154 HA LYS 19 HA LYS 19 13.626 3.015 -1.278 155 HB2 LYS 19 HB2 LYS 19 13.960 5.097 -0.093 156 HB3 LYS 19 HB1 LYS 19 12.323 5.047 -0.732 157 HG2 LYS 19 HG2 LYS 19 11.483 5.383 1.285 158 HG3 LYS 19 HG1 LYS 19 12.322 3.963 1.909 159 HD2 LYS 19 HD2 LYS 19 14.188 6.117 1.559 160 HD3 LYS 19 HD1 LYS 19 12.811 6.672 2.511 161 HE2 LYS 19 HE2 LYS 19 13.609 5.622 4.296 162 HE3 LYS 19 HE1 LYS 19 13.547 4.086 3.435 163 HZ1 LYS 19 HZ1 LYS 19 15.748 4.551 2.537 164 HZ2 LYS 19 HZ2 LYS 19 15.773 4.548 4.229 165 HZ3 LYS 19 HZ3 LYS 19 15.806 6.014 3.385 166 H VAL 20 HN VAL 20 12.458 1.937 1.819 167 HA VAL 20 HA VAL 20 13.465 0.914 3.585 168 HB VAL 20 HB VAL 20 15.760 0.363 1.704 169 HG11 VAL 20 1HG1 VAL 20 16.511 -0.411 3.710 170 HG12 VAL 20 2HG1 VAL 20 15.587 -1.823 3.199 171 HG13 VAL 20 3HG1 VAL 20 14.887 -0.677 4.343 172 HG21 VAL 20 1HG2 VAL 20 14.174 -0.605 0.424 173 HG22 VAL 20 2HG2 VAL 20 13.004 -0.677 1.742 174 HG23 VAL 20 3HG2 VAL 20 14.277 -1.892 1.625 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -16.173 -1.561 -0.447 2 H2 GLY 1 HT2 GLY 1 -15.815 -0.488 0.810 3 H3 GLY 1 HT3 GLY 1 -16.003 -2.137 1.135 4 HA2 GLY 1 HA1 GLY 1 -13.635 -1.017 0.877 5 HA3 GLY 1 HA2 GLY 1 -13.949 -2.687 0.430 6 H LEU 2 HN LEU 2 -12.188 -2.548 -1.054 7 HA LEU 2 HA LEU 2 -11.369 -2.438 -3.176 8 HB2 LEU 2 HB2 LEU 2 -13.855 -1.093 -4.159 9 HB3 LEU 2 HB1 LEU 2 -12.808 -2.225 -4.991 10 HG LEU 2 HG LEU 2 -14.844 -2.854 -2.857 11 HD11 LEU 2 1HD1 LEU 2 -16.083 -3.865 -4.507 12 HD12 LEU 2 2HD1 LEU 2 -14.690 -4.099 -5.563 13 HD13 LEU 2 3HD1 LEU 2 -15.399 -2.494 -5.380 14 HD21 LEU 2 1HD2 LEU 2 -13.082 -4.296 -2.323 15 HD22 LEU 2 2HD2 LEU 2 -12.642 -4.531 -4.015 16 HD23 LEU 2 3HD2 LEU 2 -14.120 -5.253 -3.380 17 H GLY 3 HN GLY 3 -13.472 0.436 -2.935 18 HA2 GLY 3 HA2 GLY 3 -11.251 2.096 -3.845 19 HA3 GLY 3 HA1 GLY 3 -12.925 2.602 -3.675 20 H SER 4 HN SER 4 -12.955 1.340 -0.928 21 HA SER 4 HA SER 4 -12.018 3.688 0.488 22 HB2 SER 4 HB2 SER 4 -13.194 1.241 1.793 23 HB3 SER 4 HB1 SER 4 -13.275 2.921 2.323 24 HG SER 4 HG SER 4 -14.528 3.232 0.293 25 H VAL 5 HN VAL 5 -11.208 0.352 0.048 26 HA VAL 5 HA VAL 5 -9.192 0.239 2.102 27 HB VAL 5 HB VAL 5 -9.466 -1.607 -0.222 28 HG11 VAL 5 1HG1 VAL 5 -8.051 -1.620 2.338 29 HG12 VAL 5 2HG1 VAL 5 -7.709 -2.503 0.851 30 HG13 VAL 5 3HG1 VAL 5 -8.908 -3.121 1.986 31 HG21 VAL 5 1HG2 VAL 5 -11.690 -1.509 0.585 32 HG22 VAL 5 2HG2 VAL 5 -11.157 -1.526 2.265 33 HG23 VAL 5 3HG2 VAL 5 -10.992 -2.975 1.273 34 H PHE 6 HN PHE 6 -9.399 0.996 -1.283 35 HA PHE 6 HA PHE 6 -6.927 0.545 -2.303 36 HB2 PHE 6 HB2 PHE 6 -7.582 1.915 -3.978 37 HB3 PHE 6 HB1 PHE 6 -9.102 1.994 -3.094 38 HD1 PHE 6 HD1 PHE 6 -8.930 3.829 -1.067 39 HD2 PHE 6 HD2 PHE 6 -6.818 3.922 -4.760 40 HE1 PHE 6 HE1 PHE 6 -8.682 6.268 -0.859 41 HE2 PHE 6 HE2 PHE 6 -6.565 6.361 -4.557 42 HZ PHE 6 HZ PHE 6 -7.497 7.537 -2.604 43 H GLY 7 HN GLY 7 -7.765 2.726 0.227 44 HA2 GLY 7 HA2 GLY 7 -5.407 4.352 0.120 45 HA3 GLY 7 HA1 GLY 7 -6.532 4.239 1.467 46 H ARG 8 HN ARG 8 -6.341 1.426 1.832 47 HA ARG 8 HA ARG 8 -3.998 1.323 3.464 48 HB2 ARG 8 HB2 ARG 8 -6.319 -0.444 2.914 49 HB3 ARG 8 HB1 ARG 8 -4.856 -1.227 3.495 50 HG2 ARG 8 HG2 ARG 8 -6.145 -0.773 5.403 51 HG3 ARG 8 HG1 ARG 8 -4.869 0.445 5.390 52 HD2 ARG 8 HD2 ARG 8 -7.252 1.278 3.938 53 HD3 ARG 8 HD1 ARG 8 -7.573 0.923 5.635 54 HE ARG 8 HE ARG 8 -5.379 2.483 5.761 55 HH11 ARG 8 1HH1 ARG 8 -8.446 2.846 4.136 56 HH12 ARG 8 2HH1 ARG 8 -8.436 4.574 4.233 57 HH21 ARG 8 1HH2 ARG 8 -5.366 4.760 5.891 58 HH22 ARG 8 2HH2 ARG 8 -6.688 5.661 5.228 59 H LEU 9 HN LEU 9 -5.084 -0.720 0.726 60 HA LEU 9 HA LEU 9 -2.789 -2.186 0.348 61 HB2 LEU 9 HB2 LEU 9 -4.876 -1.172 -1.538 62 HB3 LEU 9 HB1 LEU 9 -3.470 -1.997 -2.183 63 HG LEU 9 HG LEU 9 -4.488 -3.602 -0.073 64 HD11 LEU 9 1HD1 LEU 9 -6.650 -3.274 -2.083 65 HD12 LEU 9 2HD1 LEU 9 -6.566 -2.122 -0.750 66 HD13 LEU 9 3HD1 LEU 9 -6.728 -3.846 -0.417 67 HD21 LEU 9 1HD2 LEU 9 -3.371 -3.979 -2.494 68 HD22 LEU 9 2HD2 LEU 9 -5.053 -4.354 -2.865 69 HD23 LEU 9 3HD2 LEU 9 -4.211 -5.242 -1.596 70 H ALA 10 HN ALA 10 -3.382 1.140 -0.479 71 HA ALA 10 HA ALA 10 -1.439 1.722 -2.328 72 HB1 ALA 10 HB1 ALA 10 -1.411 3.902 -0.598 73 HB2 ALA 10 HB2 ALA 10 -3.016 3.192 -0.418 74 HB3 ALA 10 HB3 ALA 10 -2.440 3.676 -2.012 75 H ARG 11 HN ARG 11 -0.954 0.792 0.957 76 HA ARG 11 HA ARG 11 1.719 1.852 1.048 77 HB2 ARG 11 HB2 ARG 11 1.602 1.687 3.286 78 HB3 ARG 11 HB1 ARG 11 -0.119 1.550 2.995 79 HG2 ARG 11 HG2 ARG 11 1.340 -1.007 2.975 80 HG3 ARG 11 HG1 ARG 11 1.339 -0.151 4.512 81 HD2 ARG 11 HD2 ARG 11 -0.996 -1.156 2.923 82 HD3 ARG 11 HD1 ARG 11 -0.550 -1.535 4.583 83 HE ARG 11 HE ARG 11 -1.886 0.882 3.637 84 HH11 ARG 11 1HH1 ARG 11 -0.472 -0.879 6.307 85 HH12 ARG 11 2HH1 ARG 11 -1.274 0.067 7.513 86 HH21 ARG 11 1HH2 ARG 11 -2.932 2.125 5.231 87 HH22 ARG 11 2HH2 ARG 11 -2.667 1.770 6.905 88 H ILE 12 HN ILE 12 0.133 -1.335 0.942 89 HA ILE 12 HA ILE 12 2.410 -2.898 1.215 90 HB ILE 12 HB ILE 12 1.284 -4.653 -0.041 91 HG12 ILE 12 2HG1 ILE 12 -1.203 -3.088 -0.369 92 HG13 ILE 12 1HG1 ILE 12 0.095 -2.700 -1.490 93 HG21 ILE 12 1HG2 ILE 12 -0.970 -4.420 1.383 94 HG22 ILE 12 2HG2 ILE 12 0.002 -3.177 2.170 95 HG23 ILE 12 3HG2 ILE 12 0.585 -4.840 2.101 96 HD11 ILE 12 1HD1 ILE 12 -1.750 -4.786 -1.664 97 HD12 ILE 12 2HD1 ILE 12 -0.200 -5.538 -1.288 98 HD13 ILE 12 3HD1 ILE 12 -0.353 -4.491 -2.699 99 H LEU 13 HN LEU 13 1.244 -1.148 -1.573 100 HA LEU 13 HA LEU 13 3.009 -2.347 -3.459 101 HB2 LEU 13 HB2 LEU 13 2.680 0.147 -4.487 102 HB3 LEU 13 HB1 LEU 13 1.577 -1.187 -4.751 103 HG LEU 13 HG LEU 13 1.032 0.434 -2.348 104 HD11 LEU 13 1HD1 LEU 13 -0.243 1.973 -4.153 105 HD12 LEU 13 2HD1 LEU 13 1.238 1.618 -5.041 106 HD13 LEU 13 3HD1 LEU 13 1.323 2.380 -3.453 107 HD21 LEU 13 1HD2 LEU 13 -1.250 0.086 -3.059 108 HD22 LEU 13 2HD2 LEU 13 -0.378 -1.440 -3.168 109 HD23 LEU 13 3HD2 LEU 13 -0.711 -0.509 -4.627 110 H GLY 14 HN GLY 14 3.240 0.103 -1.033 111 HA2 GLY 14 HA2 GLY 14 5.917 0.892 -1.949 112 HA3 GLY 14 HA1 GLY 14 4.995 1.653 -0.658 113 H ARG 15 HN ARG 15 4.403 -1.261 0.239 114 HA ARG 15 HA ARG 15 6.819 -1.510 1.898 115 HB2 ARG 15 HB2 ARG 15 3.962 -2.337 2.264 116 HB3 ARG 15 HB1 ARG 15 5.231 -3.143 3.175 117 HG2 ARG 15 HG2 ARG 15 4.500 -1.466 4.602 118 HG3 ARG 15 HG1 ARG 15 5.957 -0.786 3.874 119 HD2 ARG 15 HD2 ARG 15 4.640 0.511 2.332 120 HD3 ARG 15 HD1 ARG 15 3.162 -0.270 2.883 121 HE ARG 15 HE ARG 15 3.079 1.221 4.600 122 HH11 ARG 15 1HH1 ARG 15 6.362 1.095 3.426 123 HH12 ARG 15 2HH1 ARG 15 6.916 2.359 4.471 124 HH21 ARG 15 1HH2 ARG 15 3.805 2.886 5.972 125 HH22 ARG 15 2HH2 ARG 15 5.465 3.376 5.916 126 H VAL 16 HN VAL 16 6.618 -2.436 -0.865 127 HA VAL 16 HA VAL 16 6.942 -5.343 -0.468 128 HB VAL 16 HB VAL 16 5.147 -4.867 -2.075 129 HG11 VAL 16 1HG1 VAL 16 5.436 -3.634 -4.063 130 HG12 VAL 16 2HG1 VAL 16 7.184 -3.551 -3.849 131 HG13 VAL 16 3HG1 VAL 16 6.120 -2.642 -2.777 132 HG21 VAL 16 1HG2 VAL 16 7.481 -5.814 -3.699 133 HG22 VAL 16 2HG2 VAL 16 5.808 -6.374 -3.723 134 HG23 VAL 16 3HG2 VAL 16 6.851 -6.771 -2.357 135 H ILE 17 HN ILE 17 8.010 -2.506 -2.217 136 HA ILE 17 HA ILE 17 10.742 -3.199 -1.680 137 HB ILE 17 HB ILE 17 9.832 -2.762 -4.539 138 HG12 ILE 17 2HG1 ILE 17 9.348 -5.046 -3.708 139 HG13 ILE 17 1HG1 ILE 17 10.571 -5.039 -4.975 140 HG21 ILE 17 1HG2 ILE 17 11.891 -1.863 -4.671 141 HG22 ILE 17 2HG2 ILE 17 12.405 -3.550 -4.716 142 HG23 ILE 17 3HG2 ILE 17 12.449 -2.655 -3.197 143 HD11 ILE 17 1HD1 ILE 17 10.745 -6.282 -2.520 144 HD12 ILE 17 2HD1 ILE 17 11.749 -4.842 -2.342 145 HD13 ILE 17 3HD1 ILE 17 12.070 -5.986 -3.646 146 HA PRO 18 HA PRO 18 9.793 1.199 -1.486 147 HB2 PRO 18 HB2 PRO 18 10.524 1.223 1.260 148 HB3 PRO 18 HB1 PRO 18 8.887 1.269 0.604 149 HG2 PRO 18 HG2 PRO 18 9.961 -0.827 2.075 150 HG3 PRO 18 HG1 PRO 18 8.554 -0.957 1.006 151 HD2 PRO 18 HD2 PRO 18 11.392 -1.539 0.425 152 HD3 PRO 18 HD1 PRO 18 9.992 -2.521 0.013 153 H LYS 19 HN LYS 19 11.284 2.833 -0.320 154 HA LYS 19 HA LYS 19 13.850 2.645 -1.489 155 HB2 LYS 19 HB2 LYS 19 14.303 4.801 -0.432 156 HB3 LYS 19 HB1 LYS 19 12.722 4.799 -1.200 157 HG2 LYS 19 HG2 LYS 19 11.722 5.319 0.704 158 HG3 LYS 19 HG1 LYS 19 12.495 3.972 1.542 159 HD2 LYS 19 HD2 LYS 19 14.363 6.129 1.031 160 HD3 LYS 19 HD1 LYS 19 12.963 6.687 1.948 161 HE2 LYS 19 HE2 LYS 19 13.886 5.833 3.778 162 HE3 LYS 19 HE1 LYS 19 13.695 4.226 3.080 163 HZ1 LYS 19 HZ1 LYS 19 15.868 4.378 2.117 164 HZ2 LYS 19 HZ2 LYS 19 15.991 4.731 3.766 165 HZ3 LYS 19 HZ3 LYS 19 16.047 5.981 2.628 166 H VAL 20 HN VAL 20 12.599 1.975 1.693 167 HA VAL 20 HA VAL 20 13.520 1.003 3.533 168 HB VAL 20 HB VAL 20 15.893 0.318 1.799 169 HG11 VAL 20 1HG1 VAL 20 16.510 -0.277 3.927 170 HG12 VAL 20 2HG1 VAL 20 15.700 -1.753 3.402 171 HG13 VAL 20 3HG1 VAL 20 14.853 -0.602 4.435 172 HG21 VAL 20 1HG2 VAL 20 14.359 -0.720 0.509 173 HG22 VAL 20 2HG2 VAL 20 13.132 -0.712 1.776 174 HG23 VAL 20 3HG2 VAL 20 14.406 -1.932 1.790 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -15.680 -1.288 1.200 2 H2 GLY 1 HT2 GLY 1 -15.045 -2.592 2.070 3 H3 GLY 1 HT3 GLY 1 -15.867 -2.866 0.618 4 HA2 GLY 1 HA1 GLY 1 -13.275 -1.450 0.920 5 HA3 GLY 1 HA2 GLY 1 -13.491 -3.072 0.281 6 H LEU 2 HN LEU 2 -12.427 -2.352 -1.648 7 HA LEU 2 HA LEU 2 -12.404 -1.680 -3.821 8 HB2 LEU 2 HB2 LEU 2 -15.343 -1.778 -3.255 9 HB3 LEU 2 HB1 LEU 2 -14.774 -1.130 -4.781 10 HG LEU 2 HG LEU 2 -15.426 -3.523 -4.893 11 HD11 LEU 2 1HD1 LEU 2 -13.875 -3.943 -6.474 12 HD12 LEU 2 2HD1 LEU 2 -12.523 -3.593 -5.396 13 HD13 LEU 2 3HD1 LEU 2 -13.411 -2.271 -6.155 14 HD21 LEU 2 1HD2 LEU 2 -14.257 -3.807 -2.495 15 HD22 LEU 2 2HD2 LEU 2 -12.939 -4.351 -3.534 16 HD23 LEU 2 3HD2 LEU 2 -14.511 -5.147 -3.614 17 H GLY 3 HN GLY 3 -11.224 0.193 -3.294 18 HA2 GLY 3 HA2 GLY 3 -11.029 2.472 -3.951 19 HA3 GLY 3 HA1 GLY 3 -12.759 2.663 -3.698 20 H SER 4 HN SER 4 -12.753 1.337 -1.117 21 HA SER 4 HA SER 4 -11.927 3.597 0.499 22 HB2 SER 4 HB2 SER 4 -13.102 1.027 1.554 23 HB3 SER 4 HB1 SER 4 -13.213 2.649 2.239 24 HG SER 4 HG SER 4 -14.468 1.691 -0.119 25 H VAL 5 HN VAL 5 -11.096 0.267 -0.056 26 HA VAL 5 HA VAL 5 -9.114 0.083 2.017 27 HB VAL 5 HB VAL 5 -9.327 -1.660 -0.393 28 HG11 VAL 5 1HG1 VAL 5 -8.657 -2.512 2.403 29 HG12 VAL 5 2HG1 VAL 5 -7.436 -1.821 1.336 30 HG13 VAL 5 3HG1 VAL 5 -8.265 -3.309 0.880 31 HG21 VAL 5 1HG2 VAL 5 -11.462 -2.067 0.173 32 HG22 VAL 5 2HG2 VAL 5 -11.275 -1.335 1.767 33 HG23 VAL 5 3HG2 VAL 5 -10.772 -3.004 1.499 34 H PHE 6 HN PHE 6 -9.236 0.842 -1.393 35 HA PHE 6 HA PHE 6 -6.709 0.486 -2.302 36 HB2 PHE 6 HB2 PHE 6 -7.418 1.730 -4.036 37 HB3 PHE 6 HB1 PHE 6 -8.925 1.906 -3.148 38 HD1 PHE 6 HD1 PHE 6 -8.710 3.861 -1.251 39 HD2 PHE 6 HD2 PHE 6 -6.572 3.653 -4.924 40 HE1 PHE 6 HE1 PHE 6 -8.391 6.300 -1.198 41 HE2 PHE 6 HE2 PHE 6 -6.245 6.091 -4.876 42 HZ PHE 6 HZ PHE 6 -7.155 7.417 -3.012 43 H GLY 7 HN GLY 7 -7.727 2.681 0.153 44 HA2 GLY 7 HA2 GLY 7 -5.443 4.403 0.105 45 HA3 GLY 7 HA1 GLY 7 -6.591 4.238 1.428 46 H ARG 8 HN ARG 8 -6.285 1.457 1.833 47 HA ARG 8 HA ARG 8 -3.926 1.463 3.462 48 HB2 ARG 8 HB2 ARG 8 -5.554 -0.995 2.898 49 HB3 ARG 8 HB1 ARG 8 -4.713 -0.541 4.373 50 HG2 ARG 8 HG2 ARG 8 -7.273 0.629 3.309 51 HG3 ARG 8 HG1 ARG 8 -7.068 -0.377 4.744 52 HD2 ARG 8 HD2 ARG 8 -5.920 2.382 4.334 53 HD3 ARG 8 HD1 ARG 8 -7.316 1.980 5.334 54 HE ARG 8 HE ARG 8 -4.885 0.582 6.023 55 HH11 ARG 8 1HH1 ARG 8 -6.857 3.409 6.586 56 HH12 ARG 8 2HH1 ARG 8 -6.187 3.717 8.152 57 HH21 ARG 8 1HH2 ARG 8 -4.004 0.989 8.082 58 HH22 ARG 8 2HH2 ARG 8 -4.567 2.345 9.001 59 H LEU 9 HN LEU 9 -5.045 -0.488 0.689 60 HA LEU 9 HA LEU 9 -2.830 -2.087 0.336 61 HB2 LEU 9 HB2 LEU 9 -4.848 -0.944 -1.540 62 HB3 LEU 9 HB1 LEU 9 -3.464 -1.788 -2.207 63 HG LEU 9 HG LEU 9 -4.382 -3.532 -0.268 64 HD11 LEU 9 1HD1 LEU 9 -6.840 -2.854 -1.780 65 HD12 LEU 9 2HD1 LEU 9 -6.432 -1.856 -0.384 66 HD13 LEU 9 3HD1 LEU 9 -6.651 -3.595 -0.191 67 HD21 LEU 9 1HD2 LEU 9 -4.450 -3.340 -3.215 68 HD22 LEU 9 2HD2 LEU 9 -5.509 -4.543 -2.479 69 HD23 LEU 9 3HD2 LEU 9 -3.773 -4.590 -2.171 70 H ALA 10 HN ALA 10 -3.302 1.240 -0.686 71 HA ALA 10 HA ALA 10 -1.234 1.704 -2.405 72 HB1 ALA 10 HB1 ALA 10 -2.175 3.525 -0.199 73 HB2 ALA 10 HB2 ALA 10 -2.867 3.394 -1.816 74 HB3 ALA 10 HB3 ALA 10 -1.230 4.017 -1.605 75 H ARG 11 HN ARG 11 -0.961 0.898 0.930 76 HA ARG 11 HA ARG 11 1.738 1.884 1.151 77 HB2 ARG 11 HB2 ARG 11 1.237 2.013 3.317 78 HB3 ARG 11 HB1 ARG 11 -0.360 1.386 2.959 79 HG2 ARG 11 HG2 ARG 11 1.279 -0.872 3.121 80 HG3 ARG 11 HG1 ARG 11 1.806 0.187 4.423 81 HD2 ARG 11 HD2 ARG 11 0.123 -1.022 5.431 82 HD3 ARG 11 HD1 ARG 11 -0.730 0.430 4.905 83 HE ARG 11 HE ARG 11 -1.095 -1.215 2.822 84 HH11 ARG 11 1HH1 ARG 11 -1.521 -1.696 6.255 85 HH12 ARG 11 2HH1 ARG 11 -2.789 -2.859 6.060 86 HH21 ARG 11 1HH2 ARG 11 -2.761 -2.745 2.567 87 HH22 ARG 11 2HH2 ARG 11 -3.493 -3.455 3.968 88 H ILE 12 HN ILE 12 0.063 -1.263 1.045 89 HA ILE 12 HA ILE 12 2.317 -2.862 1.446 90 HB ILE 12 HB ILE 12 1.164 -4.656 0.289 91 HG12 ILE 12 2HG1 ILE 12 -1.295 -3.093 -0.177 92 HG13 ILE 12 1HG1 ILE 12 0.029 -2.749 -1.281 93 HG21 ILE 12 1HG2 ILE 12 -1.110 -4.298 1.655 94 HG22 ILE 12 2HG2 ILE 12 -0.129 -3.027 2.385 95 HG23 ILE 12 3HG2 ILE 12 0.424 -4.701 2.426 96 HD11 ILE 12 1HD1 ILE 12 -0.447 -4.562 -2.441 97 HD12 ILE 12 2HD1 ILE 12 -1.806 -4.877 -1.362 98 HD13 ILE 12 3HD1 ILE 12 -0.222 -5.567 -1.009 99 H LEU 13 HN LEU 13 1.202 -1.198 -1.400 100 HA LEU 13 HA LEU 13 2.943 -2.528 -3.233 101 HB2 LEU 13 HB2 LEU 13 2.612 -0.122 -4.426 102 HB3 LEU 13 HB1 LEU 13 1.482 -1.453 -4.568 103 HG LEU 13 HG LEU 13 0.994 0.322 -2.276 104 HD11 LEU 13 1HD1 LEU 13 0.106 1.422 -4.882 105 HD12 LEU 13 2HD1 LEU 13 1.776 1.715 -4.397 106 HD13 LEU 13 3HD1 LEU 13 0.451 2.245 -3.361 107 HD21 LEU 13 1HD2 LEU 13 -1.302 0.016 -2.986 108 HD22 LEU 13 2HD2 LEU 13 -0.477 -1.540 -2.988 109 HD23 LEU 13 3HD2 LEU 13 -0.768 -0.694 -4.508 110 H GLY 14 HN GLY 14 3.199 0.044 -0.944 111 HA2 GLY 14 HA2 GLY 14 5.836 0.837 -1.937 112 HA3 GLY 14 HA1 GLY 14 4.960 1.570 -0.597 113 H ARG 15 HN ARG 15 4.444 -1.399 0.217 114 HA ARG 15 HA ARG 15 6.891 -1.633 1.830 115 HB2 ARG 15 HB2 ARG 15 4.061 -2.522 2.203 116 HB3 ARG 15 HB1 ARG 15 5.348 -3.377 3.042 117 HG2 ARG 15 HG2 ARG 15 4.529 -1.745 4.534 118 HG3 ARG 15 HG1 ARG 15 6.088 -1.157 3.953 119 HD2 ARG 15 HD2 ARG 15 4.737 0.113 2.187 120 HD3 ARG 15 HD1 ARG 15 3.333 -0.232 3.191 121 HE ARG 15 HE ARG 15 5.279 1.766 3.643 122 HH11 ARG 15 1HH1 ARG 15 3.330 -0.563 5.369 123 HH12 ARG 15 2HH1 ARG 15 3.313 0.357 6.835 124 HH21 ARG 15 1HH2 ARG 15 5.252 2.972 5.571 125 HH22 ARG 15 2HH2 ARG 15 4.402 2.361 6.951 126 H VAL 16 HN VAL 16 6.688 -2.476 -0.965 127 HA VAL 16 HA VAL 16 7.111 -5.381 -0.661 128 HB VAL 16 HB VAL 16 5.278 -4.892 -2.236 129 HG11 VAL 16 1HG1 VAL 16 5.501 -3.598 -4.167 130 HG12 VAL 16 2HG1 VAL 16 7.261 -3.569 -4.054 131 HG13 VAL 16 3HG1 VAL 16 6.288 -2.647 -2.910 132 HG21 VAL 16 1HG2 VAL 16 7.737 -5.864 -3.682 133 HG22 VAL 16 2HG2 VAL 16 6.059 -6.234 -4.078 134 HG23 VAL 16 3HG2 VAL 16 6.766 -6.839 -2.580 135 H ILE 17 HN ILE 17 8.072 -2.445 -2.301 136 HA ILE 17 HA ILE 17 10.831 -3.082 -1.836 137 HB ILE 17 HB ILE 17 9.871 -2.519 -4.656 138 HG12 ILE 17 2HG1 ILE 17 9.436 -4.854 -3.936 139 HG13 ILE 17 1HG1 ILE 17 10.632 -4.756 -5.224 140 HG21 ILE 17 1HG2 ILE 17 12.514 -2.476 -3.345 141 HG22 ILE 17 2HG2 ILE 17 11.915 -1.563 -4.730 142 HG23 ILE 17 3HG2 ILE 17 12.441 -3.234 -4.936 143 HD11 ILE 17 1HD1 ILE 17 12.212 -5.690 -3.968 144 HD12 ILE 17 2HD1 ILE 17 10.892 -6.169 -2.901 145 HD13 ILE 17 3HD1 ILE 17 11.809 -4.701 -2.565 146 HA PRO 18 HA PRO 18 9.751 1.273 -1.413 147 HB2 PRO 18 HB2 PRO 18 10.507 1.172 1.328 148 HB3 PRO 18 HB1 PRO 18 8.865 1.217 0.685 149 HG2 PRO 18 HG2 PRO 18 9.986 -0.929 2.037 150 HG3 PRO 18 HG1 PRO 18 8.588 -1.039 0.953 151 HD2 PRO 18 HD2 PRO 18 11.446 -1.499 0.353 152 HD3 PRO 18 HD1 PRO 18 10.082 -2.511 -0.104 153 H LYS 19 HN LYS 19 11.195 2.894 -0.178 154 HA LYS 19 HA LYS 19 13.743 2.895 -1.379 155 HB2 LYS 19 HB2 LYS 19 14.142 4.965 -0.142 156 HB3 LYS 19 HB1 LYS 19 12.542 4.970 -0.871 157 HG2 LYS 19 HG2 LYS 19 11.564 5.249 1.097 158 HG3 LYS 19 HG1 LYS 19 12.446 3.893 1.800 159 HD2 LYS 19 HD2 LYS 19 14.112 6.251 1.391 160 HD3 LYS 19 HD1 LYS 19 12.751 6.548 2.474 161 HE2 LYS 19 HE2 LYS 19 14.044 5.676 4.074 162 HE3 LYS 19 HE1 LYS 19 13.689 4.115 3.334 163 HZ1 LYS 19 HZ1 LYS 19 15.995 5.814 2.560 164 HZ2 LYS 19 HZ2 LYS 19 15.697 4.216 2.093 165 HZ3 LYS 19 HZ3 LYS 19 16.090 4.566 3.700 166 H VAL 20 HN VAL 20 12.589 1.887 1.750 167 HA VAL 20 HA VAL 20 13.592 0.814 3.489 168 HB VAL 20 HB VAL 20 15.915 0.332 1.625 169 HG11 VAL 20 1HG1 VAL 20 16.684 -0.470 3.603 170 HG12 VAL 20 2HG1 VAL 20 15.744 -1.878 3.110 171 HG13 VAL 20 3HG1 VAL 20 15.066 -0.722 4.257 172 HG21 VAL 20 1HG2 VAL 20 14.358 -0.652 0.322 173 HG22 VAL 20 2HG2 VAL 20 13.184 -0.774 1.632 174 HG23 VAL 20 3HG2 VAL 20 14.489 -1.954 1.505
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