NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
643150 | 6pf0 | 30616 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HT1 PHE 1 -15.218 3.414 15.697 2 H2 PHE 1 HT2 PHE 1 -16.737 3.302 14.934 3 H3 PHE 1 HT3 PHE 1 -15.651 4.532 14.492 4 HA PHE 1 HA PHE 1 -14.868 1.703 14.213 5 HB2 PHE 1 HB2 PHE 1 -16.576 3.312 12.289 6 HB3 PHE 1 HB1 PHE 1 -15.710 1.843 11.838 7 HD1 PHE 1 HD1 PHE 1 -16.164 -0.264 13.202 8 HD2 PHE 1 HD2 PHE 1 -18.674 3.166 13.328 9 HE1 PHE 1 HE1 PHE 1 -17.989 -1.633 14.110 10 HE2 PHE 1 HE2 PHE 1 -20.499 1.798 14.237 11 HZ PHE 1 HZ PHE 1 -20.156 -0.602 14.627 12 H PHE 2 HN PHE 2 -14.923 4.937 12.601 13 HA PHE 2 HA PHE 2 -12.469 4.589 11.234 14 HB2 PHE 2 HB2 PHE 2 -14.129 6.334 10.679 15 HB3 PHE 2 HB1 PHE 2 -13.748 7.170 12.183 16 HD1 PHE 2 HD1 PHE 2 -12.118 5.834 9.110 17 HD2 PHE 2 HD2 PHE 2 -12.039 8.751 12.203 18 HE1 PHE 2 HE1 PHE 2 -10.228 6.949 8.009 19 HE2 PHE 2 HE2 PHE 2 -10.150 9.867 11.102 20 HZ PHE 2 HZ PHE 2 -9.245 8.966 9.005 21 H HIS 3 HN HIS 3 -13.173 6.114 14.373 22 HA HIS 3 HA HIS 3 -10.545 6.970 14.979 23 HB2 HIS 3 HB2 HIS 3 -12.857 6.181 16.765 24 HB3 HIS 3 HB1 HIS 3 -11.362 6.893 17.368 25 HD2 HIS 3 HD2 HIS 3 -11.241 9.655 17.148 26 HE1 HIS 3 HE1 HIS 3 -14.650 10.172 14.709 27 HE2 HIS 3 HE2 HIS 3 -12.854 11.383 16.036 28 H HIS 4 HN HIS 4 -12.186 3.880 15.555 29 HA HIS 4 HA HIS 4 -10.122 2.701 17.158 30 HB2 HIS 4 HB2 HIS 4 -12.172 1.305 15.410 31 HB3 HIS 4 HB1 HIS 4 -11.318 0.624 16.795 32 HD2 HIS 4 HD2 HIS 4 -12.320 1.406 19.322 33 HE1 HIS 4 HE1 HIS 4 -15.530 3.722 17.853 34 HE2 HIS 4 HE2 HIS 4 -14.500 2.705 19.940 35 H ILE 5 HN ILE 5 -10.895 2.629 13.719 36 HA ILE 5 HA ILE 5 -8.857 0.792 12.901 37 HB ILE 5 HB ILE 5 -10.329 2.958 11.379 38 HG12 ILE 5 HG12 ILE 5 -10.602 -0.054 11.196 39 HG13 ILE 5 HG11 ILE 5 -11.557 0.899 12.330 40 HG21 ILE 5 HG21 ILE 5 -9.511 1.467 9.392 41 HG22 ILE 5 HG22 ILE 5 -8.267 0.932 10.519 42 HG23 ILE 5 HG23 ILE 5 -8.386 2.636 10.082 43 HD11 ILE 5 HD11 ILE 5 -12.928 0.740 10.401 44 HD12 ILE 5 HD12 ILE 5 -11.570 1.019 9.312 45 HD13 ILE 5 HD13 ILE 5 -12.203 2.344 10.289 46 H PHE 6 HN PHE 6 -8.919 4.351 13.110 47 HA PHE 6 HA PHE 6 -6.290 4.736 12.010 48 HB2 PHE 6 HB2 PHE 6 -8.139 6.471 12.183 49 HB3 PHE 6 HB1 PHE 6 -7.741 6.606 13.895 50 HD1 PHE 6 HD1 PHE 6 -6.015 8.040 14.558 51 HD2 PHE 6 HD2 PHE 6 -6.171 6.702 10.525 52 HE1 PHE 6 HE1 PHE 6 -4.143 9.525 13.994 53 HE2 PHE 6 HE2 PHE 6 -4.298 8.186 9.961 54 HZ PHE 6 HZ PHE 6 -3.284 9.597 11.695 55 H ARG 7 HN ARG 7 -7.568 4.353 15.280 56 HA ARG 7 HA ARG 7 -5.207 4.979 16.731 57 HB2 ARG 7 HB2 ARG 7 -7.462 4.761 17.744 58 HB3 ARG 7 HB1 ARG 7 -7.385 3.015 17.497 59 HG2 ARG 7 HG2 ARG 7 -5.358 2.909 18.916 60 HG3 ARG 7 HG1 ARG 7 -5.441 4.653 19.159 61 HD2 ARG 7 HD2 ARG 7 -6.451 3.615 21.080 62 HD3 ARG 7 HD1 ARG 7 -7.748 4.328 20.122 63 HE ARG 7 HE ARG 7 -7.348 1.614 19.327 64 HH11 ARG 7 HH11 ARG 7 -8.567 3.574 21.921 65 HH12 ARG 7 HH12 ARG 7 -9.695 2.386 22.473 66 HH21 ARG 7 HH21 ARG 7 -8.824 0.059 20.057 67 HH22 ARG 7 HH22 ARG 7 -9.839 0.392 21.416 68 H GLY 8 HN GLY 8 -6.373 1.893 15.388 69 HA2 GLY 8 HA2 GLY 8 -4.323 0.228 16.467 70 HA3 GLY 8 HA1 GLY 8 -5.314 -0.136 15.060 71 H ILE 9 HN ILE 9 -4.497 2.228 13.581 72 HA ILE 9 HA ILE 9 -2.165 1.186 12.255 73 HB ILE 9 HB ILE 9 -3.555 3.870 12.058 74 HG12 ILE 9 HG12 ILE 9 -3.451 1.562 10.096 75 HG13 ILE 9 HG11 ILE 9 -4.720 1.721 11.309 76 HG21 ILE 9 HG21 ILE 9 -1.070 2.803 10.777 77 HG22 ILE 9 HG22 ILE 9 -1.491 4.464 11.195 78 HG23 ILE 9 HG23 ILE 9 -2.183 3.714 9.759 79 HD11 ILE 9 HD11 ILE 9 -4.356 4.234 9.916 80 HD12 ILE 9 HD12 ILE 9 -5.808 3.243 10.055 81 HD13 ILE 9 HD13 ILE 9 -4.649 2.932 8.764 82 H VAL 10 HN VAL 10 -2.689 3.870 14.509 83 HA VAL 10 HA VAL 10 -0.029 4.874 14.543 84 HB VAL 10 HB VAL 10 -2.195 4.963 16.662 85 HG11 VAL 10 HG11 VAL 10 -0.829 6.923 17.511 86 HG12 VAL 10 HG12 VAL 10 0.474 6.387 16.452 87 HG13 VAL 10 HG13 VAL 10 -0.078 5.348 17.766 88 HG21 VAL 10 HG21 VAL 10 -1.242 6.947 14.569 89 HG22 VAL 10 HG22 VAL 10 -2.438 7.296 15.817 90 HG23 VAL 10 HG23 VAL 10 -2.790 6.100 14.570 91 H HIS 11 HN HIS 11 -1.616 2.371 16.504 92 HA HIS 11 HA HIS 11 0.644 1.931 18.247 93 HB2 HIS 11 HB2 HIS 11 -1.818 0.310 17.612 94 HB3 HIS 11 HB1 HIS 11 -0.571 -0.274 18.714 95 HD2 HIS 11 HD2 HIS 11 -3.777 1.503 19.114 96 HE1 HIS 11 HE1 HIS 11 -1.326 3.248 22.076 97 HE2 HIS 11 HE2 HIS 11 -3.719 2.971 21.274 98 H VAL 12 HN VAL 12 -0.450 0.483 15.199 99 HA VAL 12 HA VAL 12 1.433 -1.663 15.113 100 HB VAL 12 HB VAL 12 -0.015 -0.135 12.939 101 HG11 VAL 12 HG11 VAL 12 1.826 -0.932 11.729 102 HG12 VAL 12 HG12 VAL 12 0.700 -2.282 11.600 103 HG13 VAL 12 HG13 VAL 12 2.021 -2.346 12.765 104 HG21 VAL 12 HG21 VAL 12 -1.602 -1.781 13.081 105 HG22 VAL 12 HG22 VAL 12 -0.981 -1.943 14.723 106 HG23 VAL 12 HG23 VAL 12 -0.419 -3.033 13.456 107 H GLY 13 HN GLY 13 1.558 1.657 13.770 108 HA2 GLY 13 HA2 GLY 13 4.207 1.431 12.693 109 HA3 GLY 13 HA1 GLY 13 3.350 2.931 13.026 110 H LYS 14 HN LYS 14 2.920 2.563 15.800 111 HA LYS 14 HA LYS 14 5.330 3.574 16.911 112 HB2 LYS 14 HB2 LYS 14 3.112 4.010 17.863 113 HB3 LYS 14 HB1 LYS 14 2.936 2.306 18.274 114 HG2 LYS 14 HG2 LYS 14 4.917 2.470 19.759 115 HG3 LYS 14 HG1 LYS 14 5.074 4.178 19.348 116 HD2 LYS 14 HD2 LYS 14 3.894 4.152 21.408 117 HD3 LYS 14 HD1 LYS 14 2.654 4.438 20.186 118 HE2 LYS 14 HE2 LYS 14 2.470 1.798 20.189 119 HE3 LYS 14 HE1 LYS 14 3.221 1.949 21.776 120 HZ1 LYS 14 HZ1 LYS 14 0.530 2.522 20.986 121 HZ2 LYS 14 HZ2 LYS 14 1.263 3.868 21.739 122 HZ3 LYS 14 HZ3 LYS 14 1.197 2.376 22.547 123 H THR 15 HN THR 15 3.894 0.333 16.905 124 HA THR 15 HA THR 15 5.779 -0.906 18.652 125 HB THR 15 HB THR 15 4.264 -2.244 16.395 126 HG1 THR 15 HG1 THR 15 2.808 -1.044 17.629 127 HG21 THR 15 HG21 THR 15 5.663 -3.859 17.324 128 HG22 THR 15 HG22 THR 15 4.238 -4.017 18.349 129 HG23 THR 15 HG23 THR 15 5.635 -3.107 18.919 130 H ILE 16 HN ILE 16 5.644 -0.585 15.121 131 HA ILE 16 HA ILE 16 8.026 -2.090 14.573 132 HB ILE 16 HB ILE 16 6.617 0.071 12.987 133 HG12 ILE 16 HG12 ILE 16 5.338 -2.014 13.345 134 HG13 ILE 16 HG11 ILE 16 5.811 -1.846 11.658 135 HG21 ILE 16 HG21 ILE 16 8.688 0.156 11.964 136 HG22 ILE 16 HG22 ILE 16 7.997 -1.219 11.103 137 HG23 ILE 16 HG23 ILE 16 9.112 -1.487 12.443 138 HD11 ILE 16 HD11 ILE 16 6.405 -4.054 12.036 139 HD12 ILE 16 HD12 ILE 16 6.809 -3.770 13.728 140 HD13 ILE 16 HD13 ILE 16 7.922 -3.262 12.459 141 H HIS 17 HN HIS 17 7.451 1.405 15.009 142 HA HIS 17 HA HIS 17 10.109 2.271 14.560 143 HB2 HIS 17 HB2 HIS 17 7.876 3.436 16.238 144 HB3 HIS 17 HB1 HIS 17 9.410 4.265 15.969 145 HD2 HIS 17 HD2 HIS 17 9.335 3.016 12.665 146 HE1 HIS 17 HE1 HIS 17 6.256 5.895 12.427 147 HE2 HIS 17 HE2 HIS 17 7.836 4.441 11.071 148 H ARG 18 HN ARG 18 8.515 1.133 17.520 149 HA ARG 18 HA ARG 18 10.684 1.739 19.290 150 HB2 ARG 18 HB2 ARG 18 8.421 1.350 20.128 151 HB3 ARG 18 HB1 ARG 18 8.470 -0.313 19.546 152 HG2 ARG 18 HG2 ARG 18 8.962 -0.309 21.927 153 HG3 ARG 18 HG1 ARG 18 10.432 -0.732 21.057 154 HD2 ARG 18 HD2 ARG 18 10.017 2.164 21.556 155 HD3 ARG 18 HD1 ARG 18 10.326 1.174 22.982 156 HE ARG 18 HE ARG 18 12.189 0.611 20.829 157 HH11 ARG 18 HH11 ARG 18 11.415 2.770 23.445 158 HH12 ARG 18 HH12 ARG 18 13.046 3.289 23.681 159 HH21 ARG 18 HH21 ARG 18 14.322 1.298 21.138 160 HH22 ARG 18 HH22 ARG 18 14.699 2.450 22.379 161 H LEU 19 HN LEU 19 9.777 -1.211 17.506 162 HA LEU 19 HA LEU 19 11.843 -2.865 18.570 163 HB2 LEU 19 HB2 LEU 19 10.129 -2.977 16.103 164 HB3 LEU 19 HB1 LEU 19 11.418 -4.155 16.350 165 HG LEU 19 HG LEU 19 9.329 -3.578 18.464 166 HD11 LEU 19 HD11 LEU 19 9.295 -5.568 16.181 167 HD12 LEU 19 HD12 LEU 19 8.071 -4.362 16.579 168 HD13 LEU 19 HD13 LEU 19 8.307 -5.760 17.629 169 HD21 LEU 19 HD21 LEU 19 11.578 -5.493 18.058 170 HD22 LEU 19 HD22 LEU 19 10.116 -6.143 18.798 171 HD23 LEU 19 HD23 LEU 19 10.959 -4.790 19.552 172 H VAL 20 HN VAL 20 11.705 -0.831 15.656 173 HA VAL 20 HA VAL 20 14.290 -1.580 14.664 174 HB VAL 20 HB VAL 20 12.538 0.832 14.152 175 HG11 VAL 20 HG11 VAL 20 15.190 0.006 12.954 176 HG12 VAL 20 HG12 VAL 20 14.731 1.582 13.601 177 HG13 VAL 20 HG13 VAL 20 14.047 1.021 12.077 178 HG21 VAL 20 HG21 VAL 20 12.034 -1.688 13.433 179 HG22 VAL 20 HG22 VAL 20 13.188 -1.303 12.157 180 HG23 VAL 20 HG23 VAL 20 11.716 -0.346 12.335 181 H THR 21 HN THR 21 13.152 1.176 16.623 182 HA THR 21 HA THR 21 15.752 2.405 16.829 183 HB THR 21 HB THR 21 13.439 2.859 18.714 184 HG1 THR 21 HG1 THR 21 12.492 3.026 16.748 185 HG21 THR 21 HG21 THR 21 15.590 3.995 19.170 186 HG22 THR 21 HG22 THR 21 14.342 5.149 18.701 187 HG23 THR 21 HG23 THR 21 15.574 4.662 17.538 188 H GLY 22 HN GLY 22 17.422 1.781 18.099 189 HA2 GLY 22 HA2 GLY 22 16.862 -0.058 20.348 190 HA3 GLY 22 HA1 GLY 22 18.433 0.232 19.609 191 HN1 NH2 23 H1 GLY 22 19.774 1.835 20.533 Start of MODEL 2 1 H1 PHE 1 HT1 PHE 1 -15.145 2.991 15.757 2 H2 PHE 1 HT2 PHE 1 -16.703 2.615 15.183 3 H3 PHE 1 HT3 PHE 1 -15.850 3.931 14.529 4 HA PHE 1 HA PHE 1 -14.818 1.161 14.361 5 HB2 PHE 1 HB2 PHE 1 -16.614 2.612 12.382 6 HB3 PHE 1 HB1 PHE 1 -15.759 1.105 12.052 7 HD1 PHE 1 HD1 PHE 1 -16.190 -0.864 13.633 8 HD2 PHE 1 HD2 PHE 1 -18.702 2.562 13.437 9 HE1 PHE 1 HE1 PHE 1 -18.002 -2.132 14.701 10 HE2 PHE 1 HE2 PHE 1 -20.514 1.295 14.506 11 HZ PHE 1 HZ PHE 1 -20.164 -1.052 15.137 12 H PHE 2 HN PHE 2 -15.100 4.337 12.670 13 HA PHE 2 HA PHE 2 -12.656 4.082 11.250 14 HB2 PHE 2 HB2 PHE 2 -14.209 6.548 12.082 15 HB3 PHE 2 HB1 PHE 2 -12.867 6.551 10.938 16 HD1 PHE 2 HD1 PHE 2 -13.046 5.085 8.876 17 HD2 PHE 2 HD2 PHE 2 -16.372 5.962 11.375 18 HE1 PHE 2 HE1 PHE 2 -14.575 4.433 7.069 19 HE2 PHE 2 HE2 PHE 2 -17.902 5.309 9.570 20 HZ PHE 2 HZ PHE 2 -17.003 4.545 7.416 21 H HIS 3 HN HIS 3 -13.420 5.615 14.358 22 HA HIS 3 HA HIS 3 -10.882 6.765 14.869 23 HB2 HIS 3 HB2 HIS 3 -12.981 5.722 16.794 24 HB3 HIS 3 HB1 HIS 3 -11.606 6.727 17.253 25 HD2 HIS 3 HD2 HIS 3 -11.965 9.455 16.799 26 HE1 HIS 3 HE1 HIS 3 -15.615 9.172 14.695 27 HE2 HIS 3 HE2 HIS 3 -13.949 10.781 15.739 28 H HIS 4 HN HIS 4 -12.166 3.534 15.471 29 HA HIS 4 HA HIS 4 -9.989 2.550 17.049 30 HB2 HIS 4 HB2 HIS 4 -11.935 1.024 15.287 31 HB3 HIS 4 HB1 HIS 4 -10.960 0.352 16.593 32 HD2 HIS 4 HD2 HIS 4 -11.905 0.899 19.199 33 HE1 HIS 4 HE1 HIS 4 -15.399 2.947 18.005 34 HE2 HIS 4 HE2 HIS 4 -14.173 1.931 19.983 35 H ILE 5 HN ILE 5 -10.742 2.539 13.612 36 HA ILE 5 HA ILE 5 -8.565 0.909 12.723 37 HB ILE 5 HB ILE 5 -10.209 3.008 11.291 38 HG12 ILE 5 HG12 ILE 5 -10.217 -0.008 10.989 39 HG13 ILE 5 HG11 ILE 5 -11.275 0.827 12.126 40 HG21 ILE 5 HG21 ILE 5 -9.236 1.618 9.259 41 HG22 ILE 5 HG22 ILE 5 -7.923 1.282 10.385 42 HG23 ILE 5 HG23 ILE 5 -8.304 2.947 9.948 43 HD11 ILE 5 HD11 ILE 5 -12.538 0.543 10.101 44 HD12 ILE 5 HD12 ILE 5 -11.202 1.132 9.114 45 HD13 ILE 5 HD13 ILE 5 -12.074 2.242 10.169 46 H PHE 6 HN PHE 6 -8.888 4.452 13.087 47 HA PHE 6 HA PHE 6 -6.270 5.035 12.026 48 HB2 PHE 6 HB2 PHE 6 -8.273 6.596 13.648 49 HB3 PHE 6 HB1 PHE 6 -6.679 7.255 13.280 50 HD1 PHE 6 HD1 PHE 6 -5.946 7.111 10.789 51 HD2 PHE 6 HD2 PHE 6 -9.986 6.868 12.090 52 HE1 PHE 6 HE1 PHE 6 -6.706 7.751 8.544 53 HE2 PHE 6 HE2 PHE 6 -10.748 7.510 9.845 54 HZ PHE 6 HZ PHE 6 -9.108 7.951 8.072 55 H ARG 7 HN ARG 7 -7.550 4.450 15.276 56 HA ARG 7 HA ARG 7 -5.193 5.171 16.715 57 HB2 ARG 7 HB2 ARG 7 -7.428 4.918 17.745 58 HB3 ARG 7 HB1 ARG 7 -7.348 3.178 17.474 59 HG2 ARG 7 HG2 ARG 7 -5.319 3.054 18.892 60 HG3 ARG 7 HG1 ARG 7 -5.413 4.796 19.165 61 HD2 ARG 7 HD2 ARG 7 -7.710 4.458 20.117 62 HD3 ARG 7 HD1 ARG 7 -7.461 2.717 19.980 63 HE ARG 7 HE ARG 7 -5.266 3.791 21.396 64 HH11 ARG 7 HH11 ARG 7 -8.695 3.365 21.727 65 HH12 ARG 7 HH12 ARG 7 -8.655 3.257 23.450 66 HH21 ARG 7 HH21 ARG 7 -5.218 3.649 23.654 67 HH22 ARG 7 HH22 ARG 7 -6.681 3.419 24.544 68 H GLY 8 HN GLY 8 -6.316 2.076 15.365 69 HA2 GLY 8 HA2 GLY 8 -4.251 0.423 16.419 70 HA3 GLY 8 HA1 GLY 8 -5.237 0.072 15.006 71 H ILE 9 HN ILE 9 -4.428 2.456 13.554 72 HA ILE 9 HA ILE 9 -2.079 1.434 12.231 73 HB ILE 9 HB ILE 9 -3.506 4.101 12.032 74 HG12 ILE 9 HG12 ILE 9 -3.333 1.842 10.025 75 HG13 ILE 9 HG11 ILE 9 -4.594 1.895 11.255 76 HG21 ILE 9 HG21 ILE 9 -1.052 3.023 10.654 77 HG22 ILE 9 HG22 ILE 9 -1.350 4.649 11.269 78 HG23 ILE 9 HG23 ILE 9 -2.139 4.108 9.789 79 HD11 ILE 9 HD11 ILE 9 -4.308 4.459 9.883 80 HD12 ILE 9 HD12 ILE 9 -5.750 3.475 10.127 81 HD13 ILE 9 HD13 ILE 9 -4.681 3.148 8.764 82 H VAL 10 HN VAL 10 -2.644 4.134 14.463 83 HA VAL 10 HA VAL 10 0.027 5.120 14.509 84 HB VAL 10 HB VAL 10 -2.162 5.293 16.599 85 HG11 VAL 10 HG11 VAL 10 -0.749 7.378 17.233 86 HG12 VAL 10 HG12 VAL 10 0.560 6.576 16.366 87 HG13 VAL 10 HG13 VAL 10 -0.172 5.801 17.770 88 HG21 VAL 10 HG21 VAL 10 -1.624 6.644 14.057 89 HG22 VAL 10 HG22 VAL 10 -1.731 7.775 15.405 90 HG23 VAL 10 HG23 VAL 10 -3.073 6.684 15.062 91 H HIS 11 HN HIS 11 -1.633 2.729 16.564 92 HA HIS 11 HA HIS 11 0.580 2.339 18.363 93 HB2 HIS 11 HB2 HIS 11 -1.876 1.689 18.722 94 HB3 HIS 11 HB1 HIS 11 -1.529 0.271 17.734 95 HD2 HIS 11 HD2 HIS 11 -0.596 -1.826 19.255 96 HE1 HIS 11 HE1 HIS 11 0.907 0.399 22.514 97 HE2 HIS 11 HE2 HIS 11 0.537 -1.944 21.606 98 H VAL 12 HN VAL 12 -0.487 0.681 15.400 99 HA VAL 12 HA VAL 12 1.468 -1.396 15.425 100 HB VAL 12 HB VAL 12 -0.095 -0.078 13.197 101 HG11 VAL 12 HG11 VAL 12 2.028 -2.224 13.062 102 HG12 VAL 12 HG12 VAL 12 1.838 -0.803 12.034 103 HG13 VAL 12 HG13 VAL 12 0.720 -2.158 11.881 104 HG21 VAL 12 HG21 VAL 12 -0.356 -2.953 13.689 105 HG22 VAL 12 HG22 VAL 12 -1.609 -1.717 13.591 106 HG23 VAL 12 HG23 VAL 12 -0.758 -1.991 15.111 107 H GLY 13 HN GLY 13 1.491 1.837 13.876 108 HA2 GLY 13 HA2 GLY 13 4.103 1.625 12.729 109 HA3 GLY 13 HA1 GLY 13 3.244 3.124 13.066 110 H LYS 14 HN LYS 14 2.928 2.819 15.840 111 HA LYS 14 HA LYS 14 5.382 3.863 16.844 112 HB2 LYS 14 HB2 LYS 14 3.162 4.325 17.834 113 HB3 LYS 14 HB1 LYS 14 3.055 2.647 18.364 114 HG2 LYS 14 HG2 LYS 14 5.132 2.972 19.709 115 HG3 LYS 14 HG1 LYS 14 5.160 4.664 19.211 116 HD2 LYS 14 HD2 LYS 14 4.105 4.668 21.337 117 HD3 LYS 14 HD1 LYS 14 2.784 4.828 20.180 118 HE2 LYS 14 HE2 LYS 14 3.091 2.070 20.421 119 HE3 LYS 14 HE1 LYS 14 3.374 2.652 22.061 120 HZ1 LYS 14 HZ1 LYS 14 1.262 3.407 22.264 121 HZ2 LYS 14 HZ2 LYS 14 0.945 2.179 21.117 122 HZ3 LYS 14 HZ3 LYS 14 1.111 3.804 20.622 123 H THR 15 HN THR 15 3.904 0.655 16.997 124 HA THR 15 HA THR 15 5.834 -0.555 18.721 125 HB THR 15 HB THR 15 4.182 -1.984 16.624 126 HG1 THR 15 HG1 THR 15 2.784 -0.674 17.797 127 HG21 THR 15 HG21 THR 15 5.639 -3.519 17.665 128 HG22 THR 15 HG22 THR 15 4.171 -3.638 18.637 129 HG23 THR 15 HG23 THR 15 5.538 -2.690 19.218 130 H ILE 16 HN ILE 16 5.564 -0.339 15.193 131 HA ILE 16 HA ILE 16 7.807 -1.992 14.557 132 HB ILE 16 HB ILE 16 6.497 0.278 13.037 133 HG12 ILE 16 HG12 ILE 16 6.402 -2.709 12.538 134 HG13 ILE 16 HG11 ILE 16 5.229 -1.890 13.566 135 HG21 ILE 16 HG21 ILE 16 7.697 -1.072 11.090 136 HG22 ILE 16 HG22 ILE 16 8.827 -1.497 12.373 137 HG23 ILE 16 HG23 ILE 16 8.560 0.196 11.958 138 HD11 ILE 16 HD11 ILE 16 5.685 -1.567 10.606 139 HD12 ILE 16 HD12 ILE 16 4.919 -0.281 11.539 140 HD13 ILE 16 HD13 ILE 16 4.176 -1.878 11.464 141 H HIS 17 HN HIS 17 7.531 1.541 15.015 142 HA HIS 17 HA HIS 17 10.259 2.151 14.472 143 HB2 HIS 17 HB2 HIS 17 8.095 3.557 16.030 144 HB3 HIS 17 HB1 HIS 17 9.722 4.226 15.902 145 HD2 HIS 17 HD2 HIS 17 6.496 4.324 13.918 146 HE1 HIS 17 HE1 HIS 17 9.551 5.226 11.146 147 HE2 HIS 17 HE2 HIS 17 7.041 5.238 11.532 148 H ARG 18 HN ARG 18 8.584 1.269 17.478 149 HA ARG 18 HA ARG 18 10.788 1.761 19.235 150 HB2 ARG 18 HB2 ARG 18 8.171 1.107 19.607 151 HB3 ARG 18 HB1 ARG 18 8.937 -0.443 19.948 152 HG2 ARG 18 HG2 ARG 18 10.068 2.065 21.162 153 HG3 ARG 18 HG1 ARG 18 8.639 1.327 21.879 154 HD2 ARG 18 HD2 ARG 18 10.241 0.172 23.056 155 HD3 ARG 18 HD1 ARG 18 10.153 -0.879 21.647 156 HE ARG 18 HE ARG 18 12.222 -0.025 20.863 157 HH11 ARG 18 HH11 ARG 18 11.109 1.632 23.713 158 HH12 ARG 18 HH12 ARG 18 12.632 2.380 24.036 159 HH21 ARG 18 HH21 ARG 18 14.213 0.925 21.308 160 HH22 ARG 18 HH22 ARG 18 14.396 1.977 22.673 161 H LEU 19 HN LEU 19 9.685 -1.154 17.504 162 HA LEU 19 HA LEU 19 11.650 -2.923 18.567 163 HB2 LEU 19 HB2 LEU 19 9.606 -3.686 17.412 164 HB3 LEU 19 HB1 LEU 19 10.227 -3.048 15.891 165 HG LEU 19 HG LEU 19 12.241 -4.558 16.184 166 HD11 LEU 19 HD11 LEU 19 12.318 -5.093 18.463 167 HD12 LEU 19 HD12 LEU 19 11.643 -6.560 17.756 168 HD13 LEU 19 HD13 LEU 19 10.583 -5.397 18.551 169 HD21 LEU 19 HD21 LEU 19 10.701 -6.714 15.877 170 HD22 LEU 19 HD22 LEU 19 10.783 -5.463 14.638 171 HD23 LEU 19 HD23 LEU 19 9.430 -5.496 15.769 172 H VAL 20 HN VAL 20 11.625 -0.906 15.638 173 HA VAL 20 HA VAL 20 14.142 -1.804 14.614 174 HB VAL 20 HB VAL 20 12.563 0.741 14.180 175 HG11 VAL 20 HG11 VAL 20 14.137 0.687 12.036 176 HG12 VAL 20 HG12 VAL 20 15.235 -0.139 13.141 177 HG13 VAL 20 HG13 VAL 20 14.660 1.486 13.518 178 HG21 VAL 20 HG21 VAL 20 13.040 -1.252 12.035 179 HG22 VAL 20 HG22 VAL 20 11.575 -0.359 12.436 180 HG23 VAL 20 HG23 VAL 20 12.009 -1.797 13.358 181 H THR 21 HN THR 21 13.255 1.021 16.622 182 HA THR 21 HA THR 21 15.973 1.974 16.843 183 HB THR 21 HB THR 21 14.929 3.419 18.675 184 HG1 THR 21 HG1 THR 21 12.511 2.407 17.588 185 HG21 THR 21 HG21 THR 21 13.472 4.633 16.935 186 HG22 THR 21 HG22 THR 21 13.958 3.357 15.820 187 HG23 THR 21 HG23 THR 21 15.176 4.407 16.544 188 H GLY 22 HN GLY 22 17.552 1.067 18.063 189 HA2 GLY 22 HA2 GLY 22 17.958 0.711 20.594 190 HA3 GLY 22 HA1 GLY 22 16.734 -0.544 20.423 191 HN1 NH2 23 H1 GLY 22 17.336 -1.982 18.245 Start of MODEL 3 1 H1 PHE 1 HT1 PHE 1 -15.720 4.409 14.602 2 H2 PHE 1 HT2 PHE 1 -15.208 3.229 15.720 3 H3 PHE 1 HT3 PHE 1 -16.761 3.138 15.025 4 HA PHE 1 HA PHE 1 -14.960 1.594 14.113 5 HB2 PHE 1 HB2 PHE 1 -17.220 2.095 13.089 6 HB3 PHE 1 HB1 PHE 1 -16.454 3.381 12.158 7 HD1 PHE 1 HD1 PHE 1 -15.883 2.805 9.997 8 HD2 PHE 1 HD2 PHE 1 -15.725 -0.182 13.019 9 HE1 PHE 1 HE1 PHE 1 -15.157 1.156 8.329 10 HE2 PHE 1 HE2 PHE 1 -14.999 -1.831 11.352 11 HZ PHE 1 HZ PHE 1 -14.715 -1.162 9.006 12 H PHE 2 HN PHE 2 -14.955 4.944 12.734 13 HA PHE 2 HA PHE 2 -12.496 4.605 11.354 14 HB2 PHE 2 HB2 PHE 2 -13.861 7.130 12.327 15 HB3 PHE 2 HB1 PHE 2 -12.507 7.089 11.196 16 HD1 PHE 2 HD1 PHE 2 -12.860 5.307 9.224 17 HD2 PHE 2 HD2 PHE 2 -15.975 7.231 11.387 18 HE1 PHE 2 HE1 PHE 2 -14.410 4.885 7.368 19 HE2 PHE 2 HE2 PHE 2 -17.526 6.809 9.531 20 HZ PHE 2 HZ PHE 2 -16.743 5.636 7.521 21 H HIS 3 HN HIS 3 -13.194 6.000 14.560 22 HA HIS 3 HA HIS 3 -10.548 6.841 15.159 23 HB2 HIS 3 HB2 HIS 3 -12.682 7.412 16.439 24 HB3 HIS 3 HB1 HIS 3 -12.541 5.830 17.206 25 HD2 HIS 3 HD2 HIS 3 -10.640 9.279 17.160 26 HE1 HIS 3 HE1 HIS 3 -8.978 6.915 20.240 27 HE2 HIS 3 HE2 HIS 3 -8.978 9.221 19.175 28 H HIS 4 HN HIS 4 -12.184 3.744 15.536 29 HA HIS 4 HA HIS 4 -10.155 2.416 17.059 30 HB2 HIS 4 HB2 HIS 4 -12.221 1.246 15.167 31 HB3 HIS 4 HB1 HIS 4 -11.379 0.388 16.460 32 HD2 HIS 4 HD2 HIS 4 -12.271 1.043 19.100 33 HE1 HIS 4 HE1 HIS 4 -15.534 3.421 17.867 34 HE2 HIS 4 HE2 HIS 4 -14.432 2.298 19.860 35 H ILE 5 HN ILE 5 -10.885 2.600 13.600 36 HA ILE 5 HA ILE 5 -8.827 0.826 12.702 37 HB ILE 5 HB ILE 5 -10.336 3.029 11.276 38 HG12 ILE 5 HG12 ILE 5 -10.533 0.023 10.961 39 HG13 ILE 5 HG11 ILE 5 -11.504 0.900 12.142 40 HG21 ILE 5 HG21 ILE 5 -8.391 2.817 9.958 41 HG22 ILE 5 HG22 ILE 5 -9.487 1.648 9.223 42 HG23 ILE 5 HG23 ILE 5 -8.221 1.099 10.321 43 HD11 ILE 5 HD11 ILE 5 -12.397 0.461 9.666 44 HD12 ILE 5 HD12 ILE 5 -11.475 1.927 9.332 45 HD13 ILE 5 HD13 ILE 5 -12.773 1.953 10.525 46 H PHE 6 HN PHE 6 -8.885 4.391 13.050 47 HA PHE 6 HA PHE 6 -6.233 4.761 11.971 48 HB2 PHE 6 HB2 PHE 6 -8.127 6.484 13.552 49 HB3 PHE 6 HB1 PHE 6 -6.467 7.006 13.273 50 HD1 PHE 6 HD1 PHE 6 -9.743 6.639 11.826 51 HD2 PHE 6 HD2 PHE 6 -5.622 7.144 10.914 52 HE1 PHE 6 HE1 PHE 6 -10.337 7.400 9.567 53 HE2 PHE 6 HE2 PHE 6 -6.214 7.906 8.656 54 HZ PHE 6 HZ PHE 6 -8.572 8.034 7.983 55 H ARG 7 HN ARG 7 -7.557 4.287 15.204 56 HA ARG 7 HA ARG 7 -5.248 4.884 16.731 57 HB2 ARG 7 HB2 ARG 7 -7.601 4.508 17.569 58 HB3 ARG 7 HB1 ARG 7 -7.319 2.778 17.389 59 HG2 ARG 7 HG2 ARG 7 -5.314 3.013 18.885 60 HG3 ARG 7 HG1 ARG 7 -5.764 4.698 19.149 61 HD2 ARG 7 HD2 ARG 7 -7.414 2.252 19.843 62 HD3 ARG 7 HD1 ARG 7 -6.632 3.358 20.975 63 HE ARG 7 HE ARG 7 -8.450 4.782 19.253 64 HH11 ARG 7 HH11 ARG 7 -8.266 2.632 21.975 65 HH12 ARG 7 HH12 ARG 7 -9.760 3.153 22.666 66 HH21 ARG 7 HH21 ARG 7 -10.413 5.465 20.152 67 HH22 ARG 7 HH22 ARG 7 -10.978 4.761 21.637 68 H GLY 8 HN GLY 8 -6.343 1.818 15.273 69 HA2 GLY 8 HA2 GLY 8 -4.263 0.164 16.311 70 HA3 GLY 8 HA1 GLY 8 -5.247 -0.184 14.894 71 H ILE 9 HN ILE 9 -4.461 2.235 13.474 72 HA ILE 9 HA ILE 9 -2.104 1.257 12.135 73 HB ILE 9 HB ILE 9 -3.524 3.934 12.003 74 HG12 ILE 9 HG12 ILE 9 -3.376 1.702 9.957 75 HG13 ILE 9 HG11 ILE 9 -4.655 1.788 11.167 76 HG21 ILE 9 HG21 ILE 9 -1.402 4.525 11.228 77 HG22 ILE 9 HG22 ILE 9 -2.148 3.946 9.739 78 HG23 ILE 9 HG23 ILE 9 -1.052 2.900 10.640 79 HD11 ILE 9 HD11 ILE 9 -4.879 4.279 10.273 80 HD12 ILE 9 HD12 ILE 9 -5.660 2.945 9.424 81 HD13 ILE 9 HD13 ILE 9 -4.129 3.591 8.833 82 H VAL 10 HN VAL 10 -2.701 3.889 14.433 83 HA VAL 10 HA VAL 10 -0.039 4.907 14.545 84 HB VAL 10 HB VAL 10 -2.296 4.995 16.571 85 HG11 VAL 10 HG11 VAL 10 -0.500 5.533 17.936 86 HG12 VAL 10 HG12 VAL 10 -0.810 7.115 17.223 87 HG13 VAL 10 HG13 VAL 10 0.489 6.103 16.591 88 HG21 VAL 10 HG21 VAL 10 -1.246 6.962 14.508 89 HG22 VAL 10 HG22 VAL 10 -2.478 7.339 15.711 90 HG23 VAL 10 HG23 VAL 10 -2.803 6.134 14.467 91 H HIS 11 HN HIS 11 -1.717 2.433 16.484 92 HA HIS 11 HA HIS 11 0.408 1.966 18.344 93 HB2 HIS 11 HB2 HIS 11 -1.952 1.219 18.659 94 HB3 HIS 11 HB1 HIS 11 -1.715 0.018 17.391 95 HD2 HIS 11 HD2 HIS 11 -0.756 -2.380 18.373 96 HE1 HIS 11 HE1 HIS 11 0.837 -0.947 22.011 97 HE2 HIS 11 HE2 HIS 11 0.421 -3.026 20.613 98 H VAL 12 HN VAL 12 -0.463 0.417 15.260 99 HA VAL 12 HA VAL 12 1.598 -1.559 15.255 100 HB VAL 12 HB VAL 12 0.076 -0.232 12.993 101 HG11 VAL 12 HG11 VAL 12 0.901 -2.404 11.784 102 HG12 VAL 12 HG12 VAL 12 2.194 -2.379 12.984 103 HG13 VAL 12 HG13 VAL 12 1.991 -1.021 11.877 104 HG21 VAL 12 HG21 VAL 12 -0.674 -2.115 14.922 105 HG22 VAL 12 HG22 VAL 12 -0.296 -3.086 13.501 106 HG23 VAL 12 HG23 VAL 12 -1.502 -1.806 13.396 107 H GLY 13 HN GLY 13 1.501 1.747 13.868 108 HA2 GLY 13 HA2 GLY 13 4.135 1.671 12.742 109 HA3 GLY 13 HA1 GLY 13 3.218 3.124 13.125 110 H LYS 14 HN LYS 14 2.894 2.803 15.876 111 HA LYS 14 HA LYS 14 5.340 3.852 16.890 112 HB2 LYS 14 HB2 LYS 14 3.086 4.303 17.844 113 HB3 LYS 14 HB1 LYS 14 3.029 2.644 18.437 114 HG2 LYS 14 HG2 LYS 14 5.031 3.046 19.812 115 HG3 LYS 14 HG1 LYS 14 5.135 4.697 19.195 116 HD2 LYS 14 HD2 LYS 14 2.901 5.187 20.144 117 HD3 LYS 14 HD1 LYS 14 2.815 3.542 20.776 118 HE2 LYS 14 HE2 LYS 14 4.829 3.956 22.145 119 HE3 LYS 14 HE1 LYS 14 4.917 5.604 21.514 120 HZ1 LYS 14 HZ1 LYS 14 2.624 5.934 22.399 121 HZ2 LYS 14 HZ2 LYS 14 3.802 5.691 23.599 122 HZ3 LYS 14 HZ3 LYS 14 2.748 4.428 23.170 123 H THR 15 HN THR 15 3.902 0.607 17.057 124 HA THR 15 HA THR 15 5.879 -0.510 18.809 125 HB THR 15 HB THR 15 4.953 -2.704 17.613 126 HG1 THR 15 HG1 THR 15 2.862 -0.835 17.166 127 HG21 THR 15 HG21 THR 15 3.263 -2.784 19.283 128 HG22 THR 15 HG22 THR 15 3.093 -1.029 19.306 129 HG23 THR 15 HG23 THR 15 4.544 -1.785 19.964 130 H ILE 16 HN ILE 16 5.574 -0.348 15.279 131 HA ILE 16 HA ILE 16 7.827 -2.025 14.681 132 HB ILE 16 HB ILE 16 6.492 0.179 13.086 133 HG12 ILE 16 HG12 ILE 16 6.490 -2.818 12.644 134 HG13 ILE 16 HG11 ILE 16 5.285 -2.022 13.655 135 HG21 ILE 16 HG21 ILE 16 7.753 -1.096 11.169 136 HG22 ILE 16 HG22 ILE 16 8.842 -1.604 12.458 137 HG23 ILE 16 HG23 ILE 16 8.630 0.111 12.108 138 HD11 ILE 16 HD11 ILE 16 4.369 -2.225 11.423 139 HD12 ILE 16 HD12 ILE 16 5.816 -1.512 10.712 140 HD13 ILE 16 HD13 ILE 16 4.743 -0.524 11.702 141 H HIS 17 HN HIS 17 7.512 1.512 15.056 142 HA HIS 17 HA HIS 17 10.232 2.144 14.501 143 HB2 HIS 17 HB2 HIS 17 7.932 3.517 15.810 144 HB3 HIS 17 HB1 HIS 17 9.540 4.172 16.122 145 HD2 HIS 17 HD2 HIS 17 10.784 5.381 13.876 146 HE1 HIS 17 HE1 HIS 17 7.570 4.792 11.200 147 HE2 HIS 17 HE2 HIS 17 9.817 5.933 11.513 148 H ARG 18 HN ARG 18 8.576 1.269 17.512 149 HA ARG 18 HA ARG 18 10.763 1.796 19.284 150 HB2 ARG 18 HB2 ARG 18 8.217 1.240 19.753 151 HB3 ARG 18 HB1 ARG 18 8.821 -0.414 19.854 152 HG2 ARG 18 HG2 ARG 18 10.580 1.394 21.294 153 HG3 ARG 18 HG1 ARG 18 8.924 1.557 21.874 154 HD2 ARG 18 HD2 ARG 18 9.834 -0.182 23.193 155 HD3 ARG 18 HD1 ARG 18 8.894 -1.024 21.957 156 HE ARG 18 HE ARG 18 11.540 -0.693 20.980 157 HH11 ARG 18 HH11 ARG 18 9.778 -2.389 23.455 158 HH12 ARG 18 HH12 ARG 18 10.886 -3.712 23.529 159 HH21 ARG 18 HH21 ARG 18 12.989 -2.421 21.092 160 HH22 ARG 18 HH22 ARG 18 12.709 -3.730 22.188 161 H LEU 19 HN LEU 19 9.716 -1.143 17.568 162 HA LEU 19 HA LEU 19 11.688 -2.889 18.661 163 HB2 LEU 19 HB2 LEU 19 9.976 -2.956 16.186 164 HB3 LEU 19 HB1 LEU 19 11.164 -4.222 16.496 165 HG LEU 19 HG LEU 19 9.101 -3.402 18.556 166 HD11 LEU 19 HD11 LEU 19 7.807 -5.378 17.805 167 HD12 LEU 19 HD12 LEU 19 8.943 -5.607 16.475 168 HD13 LEU 19 HD13 LEU 19 7.929 -4.165 16.530 169 HD21 LEU 19 HD21 LEU 19 9.630 -5.920 19.135 170 HD22 LEU 19 HD22 LEU 19 10.756 -4.659 19.635 171 HD23 LEU 19 HD23 LEU 19 11.097 -5.628 18.200 172 H VAL 20 HN VAL 20 11.666 -0.939 15.695 173 HA VAL 20 HA VAL 20 14.203 -1.877 14.715 174 HB VAL 20 HB VAL 20 12.542 0.575 14.090 175 HG11 VAL 20 HG11 VAL 20 14.102 0.477 11.968 176 HG12 VAL 20 HG12 VAL 20 15.227 -0.318 13.068 177 HG13 VAL 20 HG13 VAL 20 14.658 1.315 13.416 178 HG21 VAL 20 HG21 VAL 20 11.956 -0.651 12.090 179 HG22 VAL 20 HG22 VAL 20 11.698 -1.728 13.462 180 HG23 VAL 20 HG23 VAL 20 13.136 -1.910 12.456 181 H THR 21 HN THR 21 13.210 0.975 16.582 182 HA THR 21 HA THR 21 15.828 2.168 16.701 183 HB THR 21 HB THR 21 13.550 2.639 18.628 184 HG1 THR 21 HG1 THR 21 12.577 2.844 16.693 185 HG21 THR 21 HG21 THR 21 14.501 5.023 18.302 186 HG22 THR 21 HG22 THR 21 15.907 4.219 17.605 187 HG23 THR 21 HG23 THR 21 15.442 3.892 19.275 188 H GLY 22 HN GLY 22 17.524 1.681 18.020 189 HA2 GLY 22 HA2 GLY 22 17.270 0.991 20.755 190 HA3 GLY 22 HA1 GLY 22 17.458 -0.495 19.826 191 HN1 NH2 23 H1 GLY 22 19.530 -0.260 21.430 Start of MODEL 4 1 H1 PHE 1 HT1 PHE 1 -15.216 3.442 15.606 2 H2 PHE 1 HT2 PHE 1 -16.724 3.382 14.813 3 H3 PHE 1 HT3 PHE 1 -15.603 4.596 14.421 4 HA PHE 1 HA PHE 1 -14.846 1.771 14.088 5 HB2 PHE 1 HB2 PHE 1 -16.526 3.424 12.169 6 HB3 PHE 1 HB1 PHE 1 -15.689 1.938 11.722 7 HD1 PHE 1 HD1 PHE 1 -18.559 3.358 13.389 8 HD2 PHE 1 HD2 PHE 1 -16.281 -0.196 12.873 9 HE1 PHE 1 HE1 PHE 1 -20.422 2.034 14.284 10 HE2 PHE 1 HE2 PHE 1 -18.146 -1.520 13.766 11 HZ PHE 1 HZ PHE 1 -20.217 -0.405 14.471 12 H PHE 2 HN PHE 2 -14.898 5.034 12.538 13 HA PHE 2 HA PHE 2 -12.428 4.720 11.189 14 HB2 PHE 2 HB2 PHE 2 -14.133 6.463 10.679 15 HB3 PHE 2 HB1 PHE 2 -13.692 7.297 12.167 16 HD1 PHE 2 HD1 PHE 2 -12.241 5.996 9.001 17 HD2 PHE 2 HD2 PHE 2 -11.905 8.802 12.176 18 HE1 PHE 2 HE1 PHE 2 -10.374 7.086 7.838 19 HE2 PHE 2 HE2 PHE 2 -10.038 9.894 11.014 20 HZ PHE 2 HZ PHE 2 -9.273 9.036 8.845 21 H HIS 3 HN HIS 3 -13.167 6.186 14.351 22 HA HIS 3 HA HIS 3 -10.535 7.034 14.980 23 HB2 HIS 3 HB2 HIS 3 -13.037 6.534 16.509 24 HB3 HIS 3 HB1 HIS 3 -11.537 6.552 17.434 25 HD2 HIS 3 HD2 HIS 3 -13.487 9.024 15.010 26 HE1 HIS 3 HE1 HIS 3 -10.849 11.260 17.433 27 HE2 HIS 3 HE2 HIS 3 -12.676 11.417 15.675 28 H HIS 4 HN HIS 4 -12.180 3.936 15.499 29 HA HIS 4 HA HIS 4 -10.115 2.745 17.095 30 HB2 HIS 4 HB2 HIS 4 -12.135 1.334 15.325 31 HB3 HIS 4 HB1 HIS 4 -11.300 0.677 16.732 32 HD2 HIS 4 HD2 HIS 4 -12.338 1.515 19.241 33 HE1 HIS 4 HE1 HIS 4 -15.601 3.683 17.665 34 HE2 HIS 4 HE2 HIS 4 -14.568 2.759 19.793 35 H ILE 5 HN ILE 5 -10.877 2.703 13.652 36 HA ILE 5 HA ILE 5 -8.812 0.900 12.832 37 HB ILE 5 HB ILE 5 -10.297 3.058 11.313 38 HG12 ILE 5 HG12 ILE 5 -10.517 0.043 11.100 39 HG13 ILE 5 HG11 ILE 5 -11.513 0.979 12.214 40 HG21 ILE 5 HG21 ILE 5 -8.455 2.831 9.935 41 HG22 ILE 5 HG22 ILE 5 -9.398 1.456 9.364 42 HG23 ILE 5 HG23 ILE 5 -8.086 1.207 10.514 43 HD11 ILE 5 HD11 ILE 5 -12.184 2.406 10.201 44 HD12 ILE 5 HD12 ILE 5 -12.811 0.759 10.218 45 HD13 ILE 5 HD13 ILE 5 -11.434 1.167 9.195 46 H PHE 6 HN PHE 6 -8.919 4.449 13.082 47 HA PHE 6 HA PHE 6 -6.292 4.894 12.008 48 HB2 PHE 6 HB2 PHE 6 -8.116 6.622 12.196 49 HB3 PHE 6 HB1 PHE 6 -7.818 6.670 13.932 50 HD1 PHE 6 HD1 PHE 6 -6.142 7.063 10.643 51 HD2 PHE 6 HD2 PHE 6 -6.064 7.972 14.795 52 HE1 PHE 6 HE1 PHE 6 -4.254 8.588 10.273 53 HE2 PHE 6 HE2 PHE 6 -4.176 9.497 14.427 54 HZ PHE 6 HZ PHE 6 -3.271 9.806 12.166 55 H ARG 7 HN ARG 7 -7.567 4.454 15.272 56 HA ARG 7 HA ARG 7 -5.177 5.014 16.712 57 HB2 ARG 7 HB2 ARG 7 -7.735 4.474 17.449 58 HB3 ARG 7 HB1 ARG 7 -6.969 2.940 17.839 59 HG2 ARG 7 HG2 ARG 7 -6.016 3.826 19.668 60 HG3 ARG 7 HG1 ARG 7 -5.269 5.104 18.708 61 HD2 ARG 7 HD2 ARG 7 -8.132 5.126 19.707 62 HD3 ARG 7 HD1 ARG 7 -6.801 5.993 20.468 63 HE ARG 7 HE ARG 7 -6.638 6.989 17.985 64 HH11 ARG 7 HH11 ARG 7 -9.416 6.364 19.973 65 HH12 ARG 7 HH12 ARG 7 -10.360 7.639 19.286 66 HH21 ARG 7 HH21 ARG 7 -7.875 8.663 17.104 67 HH22 ARG 7 HH22 ARG 7 -9.502 8.931 17.647 68 H GLY 8 HN GLY 8 -6.442 1.993 15.336 69 HA2 GLY 8 HA2 GLY 8 -4.462 0.229 16.396 70 HA3 GLY 8 HA1 GLY 8 -5.451 -0.059 14.970 71 H ILE 9 HN ILE 9 -4.563 2.268 13.534 72 HA ILE 9 HA ILE 9 -2.237 1.186 12.227 73 HB ILE 9 HB ILE 9 -3.590 3.886 12.010 74 HG12 ILE 9 HG12 ILE 9 -3.474 1.597 10.031 75 HG13 ILE 9 HG11 ILE 9 -4.753 1.739 11.235 76 HG21 ILE 9 HG21 ILE 9 -2.167 3.662 9.719 77 HG22 ILE 9 HG22 ILE 9 -1.066 2.839 10.822 78 HG23 ILE 9 HG23 ILE 9 -1.556 4.504 11.142 79 HD11 ILE 9 HD11 ILE 9 -5.045 4.156 10.314 80 HD12 ILE 9 HD12 ILE 9 -5.671 2.817 9.353 81 HD13 ILE 9 HD13 ILE 9 -4.137 3.570 8.921 82 H VAL 10 HN VAL 10 -2.733 3.900 14.454 83 HA VAL 10 HA VAL 10 -0.026 4.789 14.513 84 HB VAL 10 HB VAL 10 -2.248 5.081 16.552 85 HG11 VAL 10 HG11 VAL 10 -0.268 5.463 17.790 86 HG12 VAL 10 HG12 VAL 10 -0.738 7.073 17.249 87 HG13 VAL 10 HG13 VAL 10 0.551 6.205 16.417 88 HG21 VAL 10 HG21 VAL 10 -1.525 6.406 14.037 89 HG22 VAL 10 HG22 VAL 10 -1.641 7.535 15.387 90 HG23 VAL 10 HG23 VAL 10 -3.017 6.515 14.972 91 H HIS 11 HN HIS 11 -1.808 2.473 16.543 92 HA HIS 11 HA HIS 11 0.328 2.001 18.403 93 HB2 HIS 11 HB2 HIS 11 -2.262 0.710 17.721 94 HB3 HIS 11 HB1 HIS 11 -1.074 -0.296 18.548 95 HD2 HIS 11 HD2 HIS 11 -3.821 1.994 19.568 96 HE1 HIS 11 HE1 HIS 11 -0.953 2.422 22.638 97 HE2 HIS 11 HE2 HIS 11 -3.363 2.881 21.983 98 H VAL 12 HN VAL 12 -0.687 0.336 15.420 99 HA VAL 12 HA VAL 12 1.194 -1.795 15.529 100 HB VAL 12 HB VAL 12 -0.163 -0.423 13.199 101 HG11 VAL 12 HG11 VAL 12 1.793 -2.723 13.254 102 HG12 VAL 12 HG12 VAL 12 1.766 -1.330 12.174 103 HG13 VAL 12 HG13 VAL 12 0.565 -2.606 11.995 104 HG21 VAL 12 HG21 VAL 12 -1.777 -2.032 13.415 105 HG22 VAL 12 HG22 VAL 12 -1.207 -2.084 15.082 106 HG23 VAL 12 HG23 VAL 12 -0.625 -3.269 13.914 107 H GLY 13 HN GLY 13 1.415 1.408 13.951 108 HA2 GLY 13 HA2 GLY 13 4.061 1.077 12.920 109 HA3 GLY 13 HA1 GLY 13 3.249 2.615 13.190 110 H LYS 14 HN LYS 14 2.807 2.134 16.017 111 HA LYS 14 HA LYS 14 5.169 3.272 17.110 112 HB2 LYS 14 HB2 LYS 14 2.894 3.482 18.097 113 HB3 LYS 14 HB1 LYS 14 2.967 1.787 18.567 114 HG2 LYS 14 HG2 LYS 14 4.977 2.257 19.937 115 HG3 LYS 14 HG1 LYS 14 4.886 3.955 19.469 116 HD2 LYS 14 HD2 LYS 14 3.816 3.852 21.587 117 HD3 LYS 14 HD1 LYS 14 2.494 3.922 20.420 118 HE2 LYS 14 HE2 LYS 14 2.659 1.289 20.509 119 HE3 LYS 14 HE1 LYS 14 3.473 1.587 22.045 120 HZ1 LYS 14 HZ1 LYS 14 1.385 1.617 22.835 121 HZ2 LYS 14 HZ2 LYS 14 0.676 1.953 21.319 122 HZ3 LYS 14 HZ3 LYS 14 1.360 3.209 22.252 123 H THR 15 HN THR 15 3.997 -0.074 16.981 124 HA THR 15 HA THR 15 6.036 -1.179 18.678 125 HB THR 15 HB THR 15 5.291 -3.341 17.851 126 HG1 THR 15 HG1 THR 15 3.970 -1.777 15.869 127 HG21 THR 15 HG21 THR 15 3.682 -1.452 19.107 128 HG22 THR 15 HG22 THR 15 3.366 -3.184 19.009 129 HG23 THR 15 HG23 THR 15 2.659 -2.091 17.822 130 H ILE 16 HN ILE 16 5.735 -0.773 15.167 131 HA ILE 16 HA ILE 16 8.121 -2.179 14.464 132 HB ILE 16 HB ILE 16 6.576 -0.004 13.027 133 HG12 ILE 16 HG12 ILE 16 6.761 -2.973 12.444 134 HG13 ILE 16 HG11 ILE 16 5.520 -2.297 13.498 135 HG21 ILE 16 HG21 ILE 16 8.671 0.130 11.987 136 HG22 ILE 16 HG22 ILE 16 7.881 -1.120 11.027 137 HG23 ILE 16 HG23 ILE 16 9.037 -1.570 12.280 138 HD11 ILE 16 HD11 ILE 16 4.969 -2.601 10.966 139 HD12 ILE 16 HD12 ILE 16 5.951 -1.154 10.744 140 HD13 ILE 16 HD13 ILE 16 4.508 -1.093 11.755 141 H HIS 17 HN HIS 17 7.479 1.275 15.064 142 HA HIS 17 HA HIS 17 10.117 2.193 14.508 143 HB2 HIS 17 HB2 HIS 17 7.862 3.327 16.164 144 HB3 HIS 17 HB1 HIS 17 9.394 4.174 15.950 145 HD2 HIS 17 HD2 HIS 17 6.076 4.091 14.219 146 HE1 HIS 17 HE1 HIS 17 8.840 4.995 11.157 147 HE2 HIS 17 HE2 HIS 17 6.375 4.947 11.770 148 H ARG 18 HN ARG 18 8.615 0.941 17.450 149 HA ARG 18 HA ARG 18 10.763 1.659 19.219 150 HB2 ARG 18 HB2 ARG 18 8.495 1.117 20.043 151 HB3 ARG 18 HB1 ARG 18 8.710 -0.552 19.516 152 HG2 ARG 18 HG2 ARG 18 9.233 -0.499 21.863 153 HG3 ARG 18 HG1 ARG 18 10.767 -0.654 21.015 154 HD2 ARG 18 HD2 ARG 18 11.032 1.847 21.172 155 HD3 ARG 18 HD1 ARG 18 9.574 1.888 22.158 156 HE ARG 18 HE ARG 18 10.773 0.953 23.949 157 HH11 ARG 18 HH11 ARG 18 12.615 0.894 21.003 158 HH12 ARG 18 HH12 ARG 18 14.108 0.503 21.783 159 HH21 ARG 18 HH21 ARG 18 12.726 0.422 24.962 160 HH22 ARG 18 HH22 ARG 18 14.166 0.223 24.026 161 H LEU 19 HN LEU 19 10.000 -1.300 17.385 162 HA LEU 19 HA LEU 19 12.150 -2.867 18.417 163 HB2 LEU 19 HB2 LEU 19 10.547 -3.026 15.863 164 HB3 LEU 19 HB1 LEU 19 11.792 -4.205 16.273 165 HG LEU 19 HG LEU 19 9.505 -3.526 18.142 166 HD11 LEU 19 HD11 LEU 19 8.583 -5.756 17.325 167 HD12 LEU 19 HD12 LEU 19 9.721 -5.637 15.982 168 HD13 LEU 19 HD13 LEU 19 8.459 -4.422 16.178 169 HD21 LEU 19 HD21 LEU 19 10.935 -4.693 19.491 170 HD22 LEU 19 HD22 LEU 19 11.825 -5.369 18.127 171 HD23 LEU 19 HD23 LEU 19 10.300 -6.097 18.633 172 H VAL 20 HN VAL 20 11.903 -0.796 15.536 173 HA VAL 20 HA VAL 20 14.539 -1.381 14.557 174 HB VAL 20 HB VAL 20 12.611 0.893 14.040 175 HG11 VAL 20 HG11 VAL 20 14.619 1.935 13.474 176 HG12 VAL 20 HG12 VAL 20 14.229 1.116 11.963 177 HG13 VAL 20 HG13 VAL 20 15.413 0.413 13.062 178 HG21 VAL 20 HG21 VAL 20 12.043 -1.422 13.233 179 HG22 VAL 20 HG22 VAL 20 13.539 -1.413 12.298 180 HG23 VAL 20 HG23 VAL 20 12.261 -0.257 11.928 181 H THR 21 HN THR 21 13.216 1.308 16.504 182 HA THR 21 HA THR 21 15.762 2.644 16.763 183 HB THR 21 HB THR 21 13.391 3.041 18.581 184 HG1 THR 21 HG1 THR 21 12.453 3.125 16.615 185 HG21 THR 21 HG21 THR 21 15.472 4.287 19.044 186 HG22 THR 21 HG22 THR 21 14.192 5.372 18.502 187 HG23 THR 21 HG23 THR 21 15.473 4.894 17.388 188 H GLY 22 HN GLY 22 17.409 2.099 18.100 189 HA2 GLY 22 HA2 GLY 22 17.161 0.009 20.045 190 HA3 GLY 22 HA1 GLY 22 18.550 1.064 19.831 191 HN1 NH2 23 H1 GLY 22 18.362 3.299 20.891 Start of MODEL 5 1 H1 PHE 1 HT1 PHE 1 -16.601 3.014 15.092 2 H2 PHE 1 HT2 PHE 1 -15.615 4.317 14.624 3 H3 PHE 1 HT3 PHE 1 -15.049 3.185 15.763 4 HA PHE 1 HA PHE 1 -14.759 1.518 14.190 5 HB2 PHE 1 HB2 PHE 1 -16.462 3.230 12.345 6 HB3 PHE 1 HB1 PHE 1 -15.683 1.716 11.885 7 HD1 PHE 1 HD1 PHE 1 -16.257 -0.376 13.200 8 HD2 PHE 1 HD2 PHE 1 -18.529 3.208 13.467 9 HE1 PHE 1 HE1 PHE 1 -18.138 -1.640 14.146 10 HE2 PHE 1 HE2 PHE 1 -20.410 1.945 14.413 11 HZ PHE 1 HZ PHE 1 -20.215 -0.478 14.752 12 H PHE 2 HN PHE 2 -14.881 4.828 12.749 13 HA PHE 2 HA PHE 2 -12.434 4.569 11.341 14 HB2 PHE 2 HB2 PHE 2 -14.150 6.303 10.881 15 HB3 PHE 2 HB1 PHE 2 -13.728 7.102 12.394 16 HD1 PHE 2 HD1 PHE 2 -12.244 5.913 9.197 17 HD2 PHE 2 HD2 PHE 2 -11.975 8.642 12.445 18 HE1 PHE 2 HE1 PHE 2 -10.400 7.074 8.067 19 HE2 PHE 2 HE2 PHE 2 -10.129 9.804 11.317 20 HZ PHE 2 HZ PHE 2 -9.342 9.020 9.127 21 H HIS 3 HN HIS 3 -13.143 5.965 14.536 22 HA HIS 3 HA HIS 3 -10.525 6.854 15.146 23 HB2 HIS 3 HB2 HIS 3 -12.741 5.911 16.987 24 HB3 HIS 3 HB1 HIS 3 -11.305 6.793 17.505 25 HD2 HIS 3 HD2 HIS 3 -11.284 9.554 16.804 26 HE1 HIS 3 HE1 HIS 3 -15.200 9.618 15.226 27 HE2 HIS 3 HE2 HIS 3 -13.235 11.060 15.939 28 H HIS 4 HN HIS 4 -12.113 3.728 15.633 29 HA HIS 4 HA HIS 4 -10.032 2.509 17.180 30 HB2 HIS 4 HB2 HIS 4 -12.074 1.180 15.373 31 HB3 HIS 4 HB1 HIS 4 -11.210 0.436 16.719 32 HD2 HIS 4 HD2 HIS 4 -12.204 1.087 19.285 33 HE1 HIS 4 HE1 HIS 4 -15.417 3.482 17.952 34 HE2 HIS 4 HE2 HIS 4 -14.374 2.364 19.980 35 H ILE 5 HN ILE 5 -10.817 2.568 13.743 36 HA ILE 5 HA ILE 5 -8.737 0.814 12.850 37 HB ILE 5 HB ILE 5 -10.311 2.972 11.433 38 HG12 ILE 5 HG12 ILE 5 -11.449 0.848 12.294 39 HG13 ILE 5 HG11 ILE 5 -11.624 1.175 10.573 40 HG21 ILE 5 HG21 ILE 5 -8.153 1.122 10.440 41 HG22 ILE 5 HG22 ILE 5 -8.403 2.830 10.081 42 HG23 ILE 5 HG23 ILE 5 -9.461 1.616 9.365 43 HD11 ILE 5 HD11 ILE 5 -10.948 -1.236 11.391 44 HD12 ILE 5 HD12 ILE 5 -9.335 -0.537 11.509 45 HD13 ILE 5 HD13 ILE 5 -10.179 -0.549 9.962 46 H PHE 6 HN PHE 6 -8.910 4.353 13.188 47 HA PHE 6 HA PHE 6 -6.319 4.889 12.075 48 HB2 PHE 6 HB2 PHE 6 -8.184 6.564 12.380 49 HB3 PHE 6 HB1 PHE 6 -7.822 6.561 14.105 50 HD1 PHE 6 HD1 PHE 6 -6.340 7.161 10.765 51 HD2 PHE 6 HD2 PHE 6 -6.007 7.814 14.953 52 HE1 PHE 6 HE1 PHE 6 -4.499 8.737 10.372 53 HE2 PHE 6 HE2 PHE 6 -4.166 9.391 14.561 54 HZ PHE 6 HZ PHE 6 -3.412 9.852 12.270 55 H ARG 7 HN ARG 7 -7.511 4.296 15.345 56 HA ARG 7 HA ARG 7 -5.117 4.864 16.769 57 HB2 ARG 7 HB2 ARG 7 -7.334 4.548 17.846 58 HB3 ARG 7 HB1 ARG 7 -7.240 2.823 17.485 59 HG2 ARG 7 HG2 ARG 7 -5.098 2.713 18.780 60 HG3 ARG 7 HG1 ARG 7 -5.308 4.409 19.207 61 HD2 ARG 7 HD2 ARG 7 -7.516 3.819 20.236 62 HD3 ARG 7 HD1 ARG 7 -7.160 2.120 19.934 63 HE ARG 7 HE ARG 7 -6.056 3.775 22.035 64 HH11 ARG 7 HH11 ARG 7 -5.425 1.093 19.925 65 HH12 ARG 7 HH12 ARG 7 -4.262 0.364 20.976 66 HH21 ARG 7 HH21 ARG 7 -4.557 2.807 23.418 67 HH22 ARG 7 HH22 ARG 7 -3.777 1.333 22.961 68 H GLY 8 HN GLY 8 -6.302 1.848 15.286 69 HA2 GLY 8 HA2 GLY 8 -4.217 0.143 16.224 70 HA3 GLY 8 HA1 GLY 8 -5.246 -0.151 14.827 71 H ILE 9 HN ILE 9 -4.487 2.287 13.444 72 HA ILE 9 HA ILE 9 -2.181 1.335 12.011 73 HB ILE 9 HB ILE 9 -3.593 4.017 11.987 74 HG12 ILE 9 HG12 ILE 9 -3.556 1.811 9.910 75 HG13 ILE 9 HG11 ILE 9 -4.777 1.894 11.177 76 HG21 ILE 9 HG21 ILE 9 -2.332 4.074 9.673 77 HG22 ILE 9 HG22 ILE 9 -1.213 2.971 10.470 78 HG23 ILE 9 HG23 ILE 9 -1.486 4.583 11.133 79 HD11 ILE 9 HD11 ILE 9 -4.435 3.588 8.769 80 HD12 ILE 9 HD12 ILE 9 -4.873 4.449 10.244 81 HD13 ILE 9 HD13 ILE 9 -5.904 3.152 9.639 82 H VAL 10 HN VAL 10 -2.694 3.926 14.373 83 HA VAL 10 HA VAL 10 0.003 4.877 14.392 84 HB VAL 10 HB VAL 10 -2.175 5.089 16.488 85 HG11 VAL 10 HG11 VAL 10 0.627 6.125 16.328 86 HG12 VAL 10 HG12 VAL 10 -0.308 5.643 17.743 87 HG13 VAL 10 HG13 VAL 10 -0.610 7.202 16.975 88 HG21 VAL 10 HG21 VAL 10 -2.974 6.307 14.671 89 HG22 VAL 10 HG22 VAL 10 -1.356 6.669 14.072 90 HG23 VAL 10 HG23 VAL 10 -1.994 7.536 15.468 91 H HIS 11 HN HIS 11 -1.721 2.485 16.386 92 HA HIS 11 HA HIS 11 0.348 2.024 18.281 93 HB2 HIS 11 HB2 HIS 11 -2.096 1.264 18.355 94 HB3 HIS 11 HB1 HIS 11 -1.604 -0.073 17.318 95 HD2 HIS 11 HD2 HIS 11 1.109 -1.095 18.721 96 HE1 HIS 11 HE1 HIS 11 -1.006 -1.008 22.376 97 HE2 HIS 11 HE2 HIS 11 1.060 -1.908 21.202 98 H VAL 12 HN VAL 12 -0.462 0.174 15.304 99 HA VAL 12 HA VAL 12 1.755 -1.603 15.536 100 HB VAL 12 HB VAL 12 1.378 -2.179 13.178 101 HG11 VAL 12 HG11 VAL 12 -0.223 -3.455 14.106 102 HG12 VAL 12 HG12 VAL 12 -1.379 -2.186 13.701 103 HG13 VAL 12 HG13 VAL 12 -0.615 -2.207 15.289 104 HG21 VAL 12 HG21 VAL 12 0.888 -0.131 12.091 105 HG22 VAL 12 HG22 VAL 12 -0.365 0.282 13.259 106 HG23 VAL 12 HG23 VAL 12 -0.643 -1.004 12.090 107 H GLY 13 HN GLY 13 1.434 1.517 13.845 108 HA2 GLY 13 HA2 GLY 13 3.975 1.495 12.563 109 HA3 GLY 13 HA1 GLY 13 3.049 2.932 12.979 110 H LYS 14 HN LYS 14 2.953 2.881 15.690 111 HA LYS 14 HA LYS 14 5.555 3.826 16.404 112 HB2 LYS 14 HB2 LYS 14 3.417 4.597 17.471 113 HB3 LYS 14 HB1 LYS 14 3.343 3.055 18.324 114 HG2 LYS 14 HG2 LYS 14 4.389 4.638 19.816 115 HG3 LYS 14 HG1 LYS 14 5.655 3.554 19.241 116 HD2 LYS 14 HD2 LYS 14 6.181 5.272 17.446 117 HD3 LYS 14 HD1 LYS 14 5.064 6.363 18.260 118 HE2 LYS 14 HE2 LYS 14 6.428 6.596 20.128 119 HE3 LYS 14 HE1 LYS 14 7.237 5.049 19.860 120 HZ1 LYS 14 HZ1 LYS 14 7.527 7.354 18.011 121 HZ2 LYS 14 HZ2 LYS 14 8.483 5.944 18.069 122 HZ3 LYS 14 HZ3 LYS 14 8.572 7.098 19.321 123 H THR 15 HN THR 15 3.913 0.743 16.876 124 HA THR 15 HA THR 15 5.778 -0.441 18.680 125 HB THR 15 HB THR 15 4.162 -1.891 16.567 126 HG1 THR 15 HG1 THR 15 2.825 -0.500 17.786 127 HG21 THR 15 HG21 THR 15 5.654 -3.402 17.621 128 HG22 THR 15 HG22 THR 15 4.132 -3.596 18.491 129 HG23 THR 15 HG23 THR 15 5.434 -2.641 19.197 130 H ILE 16 HN ILE 16 5.610 -0.315 15.160 131 HA ILE 16 HA ILE 16 7.910 -1.957 14.625 132 HB ILE 16 HB ILE 16 6.594 0.237 13.000 133 HG12 ILE 16 HG12 ILE 16 6.643 -2.755 12.547 134 HG13 ILE 16 HG11 ILE 16 5.400 -1.978 13.525 135 HG21 ILE 16 HG21 ILE 16 8.738 0.208 12.059 136 HG22 ILE 16 HG22 ILE 16 7.930 -1.050 11.126 137 HG23 ILE 16 HG23 ILE 16 8.997 -1.491 12.458 138 HD11 ILE 16 HD11 ILE 16 5.210 -0.393 11.390 139 HD12 ILE 16 HD12 ILE 16 4.357 -1.935 11.461 140 HD13 ILE 16 HD13 ILE 16 5.877 -1.809 10.576 141 H HIS 17 HN HIS 17 7.474 1.548 15.021 142 HA HIS 17 HA HIS 17 10.148 2.355 14.593 143 HB2 HIS 17 HB2 HIS 17 8.261 3.927 14.713 144 HB3 HIS 17 HB1 HIS 17 8.068 3.577 16.429 145 HD2 HIS 17 HD2 HIS 17 11.456 4.425 14.523 146 HE1 HIS 17 HE1 HIS 17 11.013 7.058 17.795 147 HE2 HIS 17 HE2 HIS 17 12.560 6.342 15.912 148 H ARG 18 HN ARG 18 8.508 1.299 17.570 149 HA ARG 18 HA ARG 18 10.730 1.779 19.317 150 HB2 ARG 18 HB2 ARG 18 8.139 1.159 19.745 151 HB3 ARG 18 HB1 ARG 18 8.859 -0.432 19.986 152 HG2 ARG 18 HG2 ARG 18 10.162 1.935 21.289 153 HG3 ARG 18 HG1 ARG 18 8.677 1.302 21.996 154 HD2 ARG 18 HD2 ARG 18 10.157 -0.055 23.107 155 HD3 ARG 18 HD1 ARG 18 9.996 -1.018 21.645 156 HE ARG 18 HE ARG 18 12.099 -0.153 20.848 157 HH11 ARG 18 HH11 ARG 18 11.247 0.878 24.062 158 HH12 ARG 18 HH12 ARG 18 12.858 1.331 24.486 159 HH21 ARG 18 HH21 ARG 18 14.199 0.423 21.416 160 HH22 ARG 18 HH22 ARG 18 14.537 1.070 22.987 161 H LEU 19 HN LEU 19 9.625 -1.113 17.555 162 HA LEU 19 HA LEU 19 11.585 -2.900 18.586 163 HB2 LEU 19 HB2 LEU 19 9.539 -3.626 17.407 164 HB3 LEU 19 HB1 LEU 19 10.175 -2.967 15.904 165 HG LEU 19 HG LEU 19 12.127 -4.509 16.084 166 HD11 LEU 19 HD11 LEU 19 11.487 -6.486 17.785 167 HD12 LEU 19 HD12 LEU 19 10.753 -5.141 18.657 168 HD13 LEU 19 HD13 LEU 19 12.476 -5.113 18.279 169 HD21 LEU 19 HD21 LEU 19 10.899 -6.539 15.495 170 HD22 LEU 19 HD22 LEU 19 10.071 -5.138 14.818 171 HD23 LEU 19 HD23 LEU 19 9.445 -5.916 16.271 172 H VAL 20 HN VAL 20 11.573 -0.843 15.693 173 HA VAL 20 HA VAL 20 14.120 -1.725 14.697 174 HB VAL 20 HB VAL 20 12.509 0.791 14.199 175 HG11 VAL 20 HG11 VAL 20 14.042 0.779 12.078 176 HG12 VAL 20 HG12 VAL 20 15.139 -0.167 13.084 177 HG13 VAL 20 HG13 VAL 20 14.672 1.461 13.577 178 HG21 VAL 20 HG21 VAL 20 12.057 -1.830 13.425 179 HG22 VAL 20 HG22 VAL 20 12.940 -1.168 12.049 180 HG23 VAL 20 HG23 VAL 20 11.445 -0.404 12.587 181 H THR 21 HN THR 21 13.114 1.057 16.690 182 HA THR 21 HA THR 21 15.767 2.169 16.900 183 HB THR 21 HB THR 21 13.477 2.689 18.794 184 HG1 THR 21 HG1 THR 21 12.531 2.949 16.844 185 HG21 THR 21 HG21 THR 21 15.885 4.201 17.787 186 HG22 THR 21 HG22 THR 21 15.434 3.846 19.455 187 HG23 THR 21 HG23 THR 21 14.519 5.034 18.526 188 H GLY 22 HN GLY 22 17.414 1.471 18.167 189 HA2 GLY 22 HA2 GLY 22 16.863 -0.499 20.267 190 HA3 GLY 22 HA1 GLY 22 18.446 0.012 19.695 191 HN1 NH2 23 H1 GLY 22 19.164 2.271 20.435 Start of MODEL 6 1 H1 PHE 1 HT1 PHE 1 -16.822 4.423 15.336 2 H2 PHE 1 HT2 PHE 1 -15.744 5.515 14.608 3 H3 PHE 1 HT3 PHE 1 -15.207 4.491 15.856 4 HA PHE 1 HA PHE 1 -15.361 2.573 14.505 5 HB2 PHE 1 HB2 PHE 1 -16.782 4.425 12.562 6 HB3 PHE 1 HB1 PHE 1 -16.246 2.797 12.147 7 HD1 PHE 1 HD1 PHE 1 -18.818 4.754 13.677 8 HD2 PHE 1 HD2 PHE 1 -17.091 0.868 13.585 9 HE1 PHE 1 HE1 PHE 1 -20.855 3.825 14.684 10 HE2 PHE 1 HE2 PHE 1 -19.129 -0.060 14.592 11 HZ PHE 1 HZ PHE 1 -21.010 1.418 15.141 12 H PHE 2 HN PHE 2 -14.897 5.691 12.761 13 HA PHE 2 HA PHE 2 -12.550 4.852 11.388 14 HB2 PHE 2 HB2 PHE 2 -13.599 7.611 12.069 15 HB3 PHE 2 HB1 PHE 2 -12.216 7.321 11.015 16 HD1 PHE 2 HD1 PHE 2 -15.807 7.334 11.272 17 HD2 PHE 2 HD2 PHE 2 -12.535 5.943 8.941 18 HE1 PHE 2 HE1 PHE 2 -17.324 6.928 9.386 19 HE2 PHE 2 HE2 PHE 2 -14.052 5.537 7.053 20 HZ PHE 2 HZ PHE 2 -16.447 6.030 7.277 21 H HIS 3 HN HIS 3 -13.044 6.553 14.462 22 HA HIS 3 HA HIS 3 -10.346 7.229 14.999 23 HB2 HIS 3 HB2 HIS 3 -12.576 6.538 16.937 24 HB3 HIS 3 HB1 HIS 3 -11.060 7.332 17.369 25 HD2 HIS 3 HD2 HIS 3 -10.970 10.076 16.803 26 HE1 HIS 3 HE1 HIS 3 -14.718 10.324 14.873 27 HE2 HIS 3 HE2 HIS 3 -12.764 11.673 15.778 28 H HIS 4 HN HIS 4 -12.161 4.244 15.511 29 HA HIS 4 HA HIS 4 -10.131 2.934 17.083 30 HB2 HIS 4 HB2 HIS 4 -12.340 1.680 15.425 31 HB3 HIS 4 HB1 HIS 4 -11.461 0.935 16.760 32 HD2 HIS 4 HD2 HIS 4 -12.415 1.604 19.312 33 HE1 HIS 4 HE1 HIS 4 -15.339 4.379 18.059 34 HE2 HIS 4 HE2 HIS 4 -14.420 3.105 20.053 35 H ILE 5 HN ILE 5 -10.951 3.047 13.650 36 HA ILE 5 HA ILE 5 -9.122 1.030 12.783 37 HB ILE 5 HB ILE 5 -10.344 3.388 11.326 38 HG12 ILE 5 HG12 ILE 5 -11.787 1.441 12.213 39 HG13 ILE 5 HG11 ILE 5 -11.924 1.799 10.492 40 HG21 ILE 5 HG21 ILE 5 -8.465 1.222 10.418 41 HG22 ILE 5 HG22 ILE 5 -8.480 2.932 9.985 42 HG23 ILE 5 HG23 ILE 5 -9.682 1.839 9.300 43 HD11 ILE 5 HD11 ILE 5 -10.705 -0.096 9.866 44 HD12 ILE 5 HD12 ILE 5 -11.581 -0.694 11.275 45 HD13 ILE 5 HD13 ILE 5 -9.893 -0.214 11.426 46 H PHE 6 HN PHE 6 -8.812 4.573 13.065 47 HA PHE 6 HA PHE 6 -6.134 4.670 12.005 48 HB2 PHE 6 HB2 PHE 6 -7.806 6.618 13.594 49 HB3 PHE 6 HB1 PHE 6 -6.151 6.982 13.104 50 HD1 PHE 6 HD1 PHE 6 -9.520 7.186 12.145 51 HD2 PHE 6 HD2 PHE 6 -5.636 6.494 10.561 52 HE1 PHE 6 HE1 PHE 6 -10.319 7.819 9.911 53 HE2 PHE 6 HE2 PHE 6 -6.433 7.127 8.327 54 HZ PHE 6 HZ PHE 6 -8.775 7.788 8.002 55 H ARG 7 HN ARG 7 -7.515 4.326 15.225 56 HA ARG 7 HA ARG 7 -5.147 4.795 16.739 57 HB2 ARG 7 HB2 ARG 7 -7.429 4.705 17.717 58 HB3 ARG 7 HB1 ARG 7 -7.468 2.966 17.423 59 HG2 ARG 7 HG2 ARG 7 -5.456 2.695 18.856 60 HG3 ARG 7 HG1 ARG 7 -5.470 4.428 19.182 61 HD2 ARG 7 HD2 ARG 7 -7.780 2.563 19.794 62 HD3 ARG 7 HD1 ARG 7 -6.565 3.050 20.975 63 HE ARG 7 HE ARG 7 -7.599 5.411 19.857 64 HH11 ARG 7 HH11 ARG 7 -8.681 2.669 21.693 65 HH12 ARG 7 HH12 ARG 7 -9.934 3.534 22.512 66 HH21 ARG 7 HH21 ARG 7 -9.245 6.542 20.935 67 HH22 ARG 7 HH22 ARG 7 -10.253 5.732 22.081 68 H GLY 8 HN GLY 8 -6.497 1.819 15.315 69 HA2 GLY 8 HA2 GLY 8 -4.550 0.022 16.398 70 HA3 GLY 8 HA1 GLY 8 -5.567 -0.282 14.994 71 H ILE 9 HN ILE 9 -4.645 2.021 13.507 72 HA ILE 9 HA ILE 9 -2.384 0.858 12.169 73 HB ILE 9 HB ILE 9 -3.629 3.611 11.984 74 HG12 ILE 9 HG12 ILE 9 -3.668 1.305 10.017 75 HG13 ILE 9 HG11 ILE 9 -4.920 1.540 11.234 76 HG21 ILE 9 HG21 ILE 9 -1.272 2.378 10.575 77 HG22 ILE 9 HG22 ILE 9 -1.469 4.023 11.179 78 HG23 ILE 9 HG23 ILE 9 -2.304 3.518 9.711 79 HD11 ILE 9 HD11 ILE 9 -4.471 2.986 8.720 80 HD12 ILE 9 HD12 ILE 9 -4.698 4.056 10.103 81 HD13 ILE 9 HD13 ILE 9 -5.933 2.866 9.698 82 H VAL 10 HN VAL 10 -2.716 3.616 14.395 83 HA VAL 10 HA VAL 10 0.023 4.404 14.357 84 HB VAL 10 HB VAL 10 -2.085 4.768 16.507 85 HG11 VAL 10 HG11 VAL 10 -0.070 5.186 17.632 86 HG12 VAL 10 HG12 VAL 10 -0.478 6.782 17.005 87 HG13 VAL 10 HG13 VAL 10 0.728 5.793 16.182 88 HG21 VAL 10 HG21 VAL 10 -2.912 6.382 15.165 89 HG22 VAL 10 HG22 VAL 10 -1.779 5.890 13.908 90 HG23 VAL 10 HG23 VAL 10 -1.324 7.143 15.061 91 H HIS 11 HN HIS 11 -1.777 2.107 16.361 92 HA HIS 11 HA HIS 11 0.352 1.578 18.224 93 HB2 HIS 11 HB2 HIS 11 -2.249 0.296 17.520 94 HB3 HIS 11 HB1 HIS 11 -1.072 -0.672 18.410 95 HD2 HIS 11 HD2 HIS 11 -3.823 1.727 19.260 96 HE1 HIS 11 HE1 HIS 11 -1.059 2.139 22.425 97 HE2 HIS 11 HE2 HIS 11 -3.422 2.669 21.664 98 H VAL 12 HN VAL 12 -0.698 0.025 15.197 99 HA VAL 12 HA VAL 12 1.079 -2.188 15.252 100 HB VAL 12 HB VAL 12 -0.200 -0.664 12.977 101 HG11 VAL 12 HG11 VAL 12 1.738 -2.979 12.924 102 HG12 VAL 12 HG12 VAL 12 1.706 -1.540 11.903 103 HG13 VAL 12 HG13 VAL 12 0.509 -2.811 11.669 104 HG21 VAL 12 HG21 VAL 12 -0.728 -3.535 13.510 105 HG22 VAL 12 HG22 VAL 12 -1.855 -2.237 13.119 106 HG23 VAL 12 HG23 VAL 12 -1.265 -2.422 14.769 107 H GLY 13 HN GLY 13 1.481 1.052 13.763 108 HA2 GLY 13 HA2 GLY 13 4.147 0.594 12.811 109 HA3 GLY 13 HA1 GLY 13 3.384 2.166 13.019 110 H LYS 14 HN LYS 14 2.818 1.631 15.871 111 HA LYS 14 HA LYS 14 5.103 2.823 17.031 112 HB2 LYS 14 HB2 LYS 14 2.817 2.862 18.023 113 HB3 LYS 14 HB1 LYS 14 2.997 1.157 18.429 114 HG2 LYS 14 HG2 LYS 14 4.915 1.655 19.852 115 HG3 LYS 14 HG1 LYS 14 4.853 3.354 19.380 116 HD2 LYS 14 HD2 LYS 14 3.766 3.141 21.533 117 HD3 LYS 14 HD1 LYS 14 2.516 3.457 20.329 118 HE2 LYS 14 HE2 LYS 14 2.106 0.983 20.181 119 HE3 LYS 14 HE1 LYS 14 3.257 0.756 21.497 120 HZ1 LYS 14 HZ1 LYS 14 0.528 1.555 21.607 121 HZ2 LYS 14 HZ2 LYS 14 1.527 2.722 22.348 122 HZ3 LYS 14 HZ3 LYS 14 1.571 1.108 22.877 123 H THR 15 HN THR 15 4.161 -0.576 16.706 124 HA THR 15 HA THR 15 6.180 -1.663 18.417 125 HB THR 15 HB THR 15 5.638 -3.791 17.405 126 HG1 THR 15 HG1 THR 15 4.160 -2.337 15.454 127 HG21 THR 15 HG21 THR 15 3.849 -2.239 18.708 128 HG22 THR 15 HG22 THR 15 3.484 -3.877 18.167 129 HG23 THR 15 HG23 THR 15 2.975 -2.495 17.198 130 H ILE 16 HN ILE 16 6.045 -1.079 14.921 131 HA ILE 16 HA ILE 16 8.618 -2.190 14.324 132 HB ILE 16 HB ILE 16 6.936 -0.138 12.856 133 HG12 ILE 16 HG12 ILE 16 7.465 -3.041 12.166 134 HG13 ILE 16 HG11 ILE 16 6.113 -2.555 13.188 135 HG21 ILE 16 HG21 ILE 16 8.447 -0.944 10.902 136 HG22 ILE 16 HG22 ILE 16 9.552 -1.481 12.166 137 HG23 ILE 16 HG23 ILE 16 9.125 0.225 12.033 138 HD11 ILE 16 HD11 ILE 16 5.325 -2.707 10.894 139 HD12 ILE 16 HD12 ILE 16 6.633 -1.666 10.335 140 HD13 ILE 16 HD13 ILE 16 5.360 -1.008 11.362 141 H HIS 17 HN HIS 17 7.534 1.154 14.952 142 HA HIS 17 HA HIS 17 10.053 2.409 14.602 143 HB2 HIS 17 HB2 HIS 17 7.652 3.165 16.282 144 HB3 HIS 17 HB1 HIS 17 9.056 4.213 16.078 145 HD2 HIS 17 HD2 HIS 17 9.114 3.010 12.717 146 HE1 HIS 17 HE1 HIS 17 5.815 5.640 12.557 147 HE2 HIS 17 HE2 HIS 17 7.498 4.348 11.162 148 H ARG 18 HN ARG 18 8.545 0.966 17.476 149 HA ARG 18 HA ARG 18 10.595 1.743 19.322 150 HB2 ARG 18 HB2 ARG 18 8.403 1.069 20.133 151 HB3 ARG 18 HB1 ARG 18 8.602 -0.538 19.435 152 HG2 ARG 18 HG2 ARG 18 9.123 -0.724 21.787 153 HG3 ARG 18 HG1 ARG 18 10.649 -0.817 20.916 154 HD2 ARG 18 HD2 ARG 18 9.749 1.904 21.704 155 HD3 ARG 18 HD1 ARG 18 10.260 0.840 23.014 156 HE ARG 18 HE ARG 18 12.190 0.749 20.900 157 HH11 ARG 18 HH11 ARG 18 10.928 2.806 23.408 158 HH12 ARG 18 HH12 ARG 18 12.401 3.680 23.626 159 HH21 ARG 18 HH21 ARG 18 14.122 1.900 21.189 160 HH22 ARG 18 HH22 ARG 18 14.216 3.168 22.371 161 H LEU 19 HN LEU 19 10.073 -1.198 17.382 162 HA LEU 19 HA LEU 19 12.263 -2.687 18.434 163 HB2 LEU 19 HB2 LEU 19 10.457 -3.719 17.114 164 HB3 LEU 19 HB1 LEU 19 10.992 -2.836 15.684 165 HG LEU 19 HG LEU 19 13.226 -3.962 15.886 166 HD11 LEU 19 HD11 LEU 19 11.786 -5.311 18.172 167 HD12 LEU 19 HD12 LEU 19 13.377 -4.549 18.173 168 HD13 LEU 19 HD13 LEU 19 13.140 -6.092 17.354 169 HD21 LEU 19 HD21 LEU 19 12.324 -6.288 15.285 170 HD22 LEU 19 HD22 LEU 19 11.720 -4.942 14.320 171 HD23 LEU 19 HD23 LEU 19 10.718 -5.629 15.597 172 H VAL 20 HN VAL 20 12.026 -0.557 15.590 173 HA VAL 20 HA VAL 20 14.750 -0.936 14.750 174 HB VAL 20 HB VAL 20 12.716 1.221 14.146 175 HG11 VAL 20 HG11 VAL 20 15.566 0.851 13.226 176 HG12 VAL 20 HG12 VAL 20 14.761 2.328 13.756 177 HG13 VAL 20 HG13 VAL 20 14.379 1.634 12.181 178 HG21 VAL 20 HG21 VAL 20 13.853 -0.987 12.403 179 HG22 VAL 20 HG22 VAL 20 12.481 0.060 12.041 180 HG23 VAL 20 HG23 VAL 20 12.354 -1.150 13.318 181 H THR 21 HN THR 21 13.136 1.597 16.689 182 HA THR 21 HA THR 21 15.547 3.147 17.050 183 HB THR 21 HB THR 21 13.110 3.272 18.823 184 HG1 THR 21 HG1 THR 21 12.204 3.362 16.855 185 HG21 THR 21 HG21 THR 21 13.784 5.467 19.227 186 HG22 THR 21 HG22 THR 21 14.694 5.571 17.719 187 HG23 THR 21 HG23 THR 21 15.338 4.647 19.076 188 H GLY 22 HN GLY 22 17.220 2.666 18.357 189 HA2 GLY 22 HA2 GLY 22 16.802 0.714 20.539 190 HA3 GLY 22 HA1 GLY 22 18.350 1.216 19.866 191 HN1 NH2 23 H1 GLY 22 19.486 2.229 21.527 Start of MODEL 7 1 H1 PHE 1 HT1 PHE 1 -15.686 4.479 14.567 2 H2 PHE 1 HT2 PHE 1 -15.247 3.318 15.732 3 H3 PHE 1 HT3 PHE 1 -16.770 3.238 14.973 4 HA PHE 1 HA PHE 1 -14.885 1.668 14.186 5 HB2 PHE 1 HB2 PHE 1 -16.623 3.320 12.315 6 HB3 PHE 1 HB1 PHE 1 -15.790 1.837 11.847 7 HD1 PHE 1 HD1 PHE 1 -16.306 -0.288 13.103 8 HD2 PHE 1 HD2 PHE 1 -18.665 3.229 13.493 9 HE1 PHE 1 HE1 PHE 1 -18.139 -1.622 14.046 10 HE2 PHE 1 HE2 PHE 1 -20.497 1.895 14.439 11 HZ PHE 1 HZ PHE 1 -20.234 -0.531 14.714 12 H PHE 2 HN PHE 2 -15.015 4.947 12.661 13 HA PHE 2 HA PHE 2 -12.560 4.657 11.270 14 HB2 PHE 2 HB2 PHE 2 -13.962 7.168 12.234 15 HB3 PHE 2 HB1 PHE 2 -12.636 7.133 11.071 16 HD1 PHE 2 HD1 PHE 2 -12.972 5.529 9.033 17 HD2 PHE 2 HD2 PHE 2 -16.139 7.022 11.446 18 HE1 PHE 2 HE1 PHE 2 -14.566 5.074 7.222 19 HE2 PHE 2 HE2 PHE 2 -17.734 6.566 9.636 20 HZ PHE 2 HZ PHE 2 -16.946 5.592 7.523 21 H HIS 3 HN HIS 3 -13.292 6.101 14.433 22 HA HIS 3 HA HIS 3 -10.690 7.033 15.059 23 HB2 HIS 3 HB2 HIS 3 -12.919 6.059 16.872 24 HB3 HIS 3 HB1 HIS 3 -11.488 6.929 17.424 25 HD2 HIS 3 HD2 HIS 3 -11.664 9.700 17.153 26 HE1 HIS 3 HE1 HIS 3 -15.196 9.794 14.841 27 HE2 HIS 3 HE2 HIS 3 -13.495 11.219 16.075 28 H HIS 4 HN HIS 4 -12.237 3.891 15.504 29 HA HIS 4 HA HIS 4 -10.165 2.672 17.062 30 HB2 HIS 4 HB2 HIS 4 -12.205 1.365 15.234 31 HB3 HIS 4 HB1 HIS 4 -11.325 0.590 16.553 32 HD2 HIS 4 HD2 HIS 4 -12.356 1.115 19.130 33 HE1 HIS 4 HE1 HIS 4 -15.499 3.649 17.892 34 HE2 HIS 4 HE2 HIS 4 -14.501 2.408 19.871 35 H ILE 5 HN ILE 5 -10.906 2.768 13.611 36 HA ILE 5 HA ILE 5 -8.848 0.991 12.732 37 HB ILE 5 HB ILE 5 -10.343 3.195 11.295 38 HG12 ILE 5 HG12 ILE 5 -10.553 0.187 10.996 39 HG13 ILE 5 HG11 ILE 5 -11.539 1.087 12.147 40 HG21 ILE 5 HG21 ILE 5 -9.484 1.763 9.257 41 HG22 ILE 5 HG22 ILE 5 -8.195 1.303 10.367 42 HG23 ILE 5 HG23 ILE 5 -8.439 3.000 9.953 43 HD11 ILE 5 HD11 ILE 5 -12.892 0.969 10.214 44 HD12 ILE 5 HD12 ILE 5 -11.533 1.277 9.135 45 HD13 ILE 5 HD13 ILE 5 -12.181 2.580 10.132 46 H PHE 6 HN PHE 6 -8.903 4.552 13.083 47 HA PHE 6 HA PHE 6 -6.256 4.933 12.009 48 HB2 PHE 6 HB2 PHE 6 -8.066 6.660 13.705 49 HB3 PHE 6 HB1 PHE 6 -6.458 7.183 13.206 50 HD1 PHE 6 HD1 PHE 6 -6.019 6.571 10.578 51 HD2 PHE 6 HD2 PHE 6 -9.779 7.431 12.366 52 HE1 PHE 6 HE1 PHE 6 -6.903 7.249 8.391 53 HE2 PHE 6 HE2 PHE 6 -10.664 8.112 10.178 54 HZ PHE 6 HZ PHE 6 -9.225 8.019 8.191 55 H ARG 7 HN ARG 7 -7.561 4.414 15.251 56 HA ARG 7 HA ARG 7 -5.174 4.958 16.716 57 HB2 ARG 7 HB2 ARG 7 -7.415 4.791 17.753 58 HB3 ARG 7 HB1 ARG 7 -7.432 3.060 17.420 59 HG2 ARG 7 HG2 ARG 7 -5.381 2.790 18.797 60 HG3 ARG 7 HG1 ARG 7 -5.410 4.515 19.158 61 HD2 ARG 7 HD2 ARG 7 -7.684 4.222 20.152 62 HD3 ARG 7 HD1 ARG 7 -7.543 2.486 19.889 63 HE ARG 7 HE ARG 7 -6.161 4.067 21.932 64 HH11 ARG 7 HH11 ARG 7 -6.298 1.125 20.095 65 HH12 ARG 7 HH12 ARG 7 -5.373 0.208 21.229 66 HH21 ARG 7 HH21 ARG 7 -4.945 2.864 23.415 67 HH22 ARG 7 HH22 ARG 7 -4.604 1.197 23.113 68 H GLY 8 HN GLY 8 -6.448 1.954 15.275 69 HA2 GLY 8 HA2 GLY 8 -4.454 0.193 16.305 70 HA3 GLY 8 HA1 GLY 8 -5.454 -0.094 14.887 71 H ILE 9 HN ILE 9 -4.565 2.268 13.462 72 HA ILE 9 HA ILE 9 -2.255 1.177 12.134 73 HB ILE 9 HB ILE 9 -3.574 3.901 11.963 74 HG12 ILE 9 HG12 ILE 9 -3.522 1.641 9.945 75 HG13 ILE 9 HG11 ILE 9 -4.781 1.777 11.171 76 HG21 ILE 9 HG21 ILE 9 -1.205 2.723 10.504 77 HG22 ILE 9 HG22 ILE 9 -1.368 4.324 11.228 78 HG23 ILE 9 HG23 ILE 9 -2.228 3.940 9.739 79 HD11 ILE 9 HD11 ILE 9 -4.524 4.349 10.008 80 HD12 ILE 9 HD12 ILE 9 -5.871 3.224 9.836 81 HD13 ILE 9 HD13 ILE 9 -4.546 3.197 8.672 82 H VAL 10 HN VAL 10 -2.727 3.887 14.376 83 HA VAL 10 HA VAL 10 -0.010 4.757 14.452 84 HB VAL 10 HB VAL 10 -2.253 5.053 16.471 85 HG11 VAL 10 HG11 VAL 10 0.566 6.103 16.397 86 HG12 VAL 10 HG12 VAL 10 -0.360 5.494 17.770 87 HG13 VAL 10 HG13 VAL 10 -0.714 7.088 17.105 88 HG21 VAL 10 HG21 VAL 10 -1.675 7.508 15.321 89 HG22 VAL 10 HG22 VAL 10 -3.013 6.457 14.863 90 HG23 VAL 10 HG23 VAL 10 -1.495 6.392 13.967 91 H HIS 11 HN HIS 11 -1.844 2.479 16.484 92 HA HIS 11 HA HIS 11 0.215 1.968 18.389 93 HB2 HIS 11 HB2 HIS 11 -2.149 1.342 18.732 94 HB3 HIS 11 HB1 HIS 11 -2.017 0.140 17.450 95 HD2 HIS 11 HD2 HIS 11 -0.943 -2.298 18.273 96 HE1 HIS 11 HE1 HIS 11 0.301 -1.084 22.121 97 HE2 HIS 11 HE2 HIS 11 0.064 -3.071 20.556 98 H VAL 12 HN VAL 12 -0.699 0.232 15.408 99 HA VAL 12 HA VAL 12 1.289 -1.791 15.558 100 HB VAL 12 HB VAL 12 -0.168 -0.570 13.206 101 HG11 VAL 12 HG11 VAL 12 1.751 -1.431 12.150 102 HG12 VAL 12 HG12 VAL 12 0.640 -2.797 12.102 103 HG13 VAL 12 HG13 VAL 12 1.918 -2.746 13.315 104 HG21 VAL 12 HG21 VAL 12 -0.414 -3.361 14.327 105 HG22 VAL 12 HG22 VAL 12 -1.583 -2.449 13.373 106 HG23 VAL 12 HG23 VAL 12 -1.294 -2.018 15.057 107 H GLY 13 HN GLY 13 1.356 1.387 13.911 108 HA2 GLY 13 HA2 GLY 13 3.982 1.140 12.817 109 HA3 GLY 13 HA1 GLY 13 3.128 2.651 13.109 110 H LYS 14 HN LYS 14 2.795 2.265 15.932 111 HA LYS 14 HA LYS 14 5.201 3.436 16.906 112 HB2 LYS 14 HB2 LYS 14 2.939 3.715 17.933 113 HB3 LYS 14 HB1 LYS 14 3.042 2.056 18.522 114 HG2 LYS 14 HG2 LYS 14 5.047 2.608 19.819 115 HG3 LYS 14 HG1 LYS 14 5.027 4.255 19.184 116 HD2 LYS 14 HD2 LYS 14 2.808 4.622 20.220 117 HD3 LYS 14 HD1 LYS 14 2.847 2.983 20.872 118 HE2 LYS 14 HE2 LYS 14 4.874 3.525 22.158 119 HE3 LYS 14 HE1 LYS 14 4.871 5.159 21.490 120 HZ1 LYS 14 HZ1 LYS 14 3.813 4.830 23.765 121 HZ2 LYS 14 HZ2 LYS 14 2.532 4.072 22.946 122 HZ3 LYS 14 HZ3 LYS 14 2.912 5.695 22.618 123 H THR 15 HN THR 15 4.019 0.087 16.934 124 HA THR 15 HA THR 15 6.061 -0.957 18.661 125 HB THR 15 HB THR 15 5.364 -3.153 17.858 126 HG1 THR 15 HG1 THR 15 3.963 -1.643 15.890 127 HG21 THR 15 HG21 THR 15 3.684 -1.229 19.044 128 HG22 THR 15 HG22 THR 15 3.506 -2.981 19.104 129 HG23 THR 15 HG23 THR 15 2.693 -2.056 17.843 130 H ILE 16 HN ILE 16 5.807 -0.550 15.159 131 HA ILE 16 HA ILE 16 8.163 -2.005 14.443 132 HB ILE 16 HB ILE 16 6.731 0.282 13.061 133 HG12 ILE 16 HG12 ILE 16 5.406 -1.800 13.356 134 HG13 ILE 16 HG11 ILE 16 5.782 -1.502 11.662 135 HG21 ILE 16 HG21 ILE 16 7.975 -0.886 11.034 136 HG22 ILE 16 HG22 ILE 16 9.120 -1.357 12.289 137 HG23 ILE 16 HG23 ILE 16 8.793 0.350 11.992 138 HD11 ILE 16 HD11 ILE 16 7.101 -3.498 13.521 139 HD12 ILE 16 HD12 ILE 16 7.780 -3.064 11.953 140 HD13 ILE 16 HD13 ILE 16 6.198 -3.831 12.046 141 H HIS 17 HN HIS 17 7.607 1.466 15.034 142 HA HIS 17 HA HIS 17 10.269 2.330 14.598 143 HB2 HIS 17 HB2 HIS 17 8.014 3.467 16.256 144 HB3 HIS 17 HB1 HIS 17 9.566 4.287 16.078 145 HD2 HIS 17 HD2 HIS 17 6.256 4.169 14.255 146 HE1 HIS 17 HE1 HIS 17 9.083 5.342 11.344 147 HE2 HIS 17 HE2 HIS 17 6.602 5.154 11.861 148 H ARG 18 HN ARG 18 8.660 1.161 17.542 149 HA ARG 18 HA ARG 18 10.823 1.731 19.327 150 HB2 ARG 18 HB2 ARG 18 8.562 1.339 20.153 151 HB3 ARG 18 HB1 ARG 18 8.588 -0.306 19.523 152 HG2 ARG 18 HG2 ARG 18 9.065 -0.395 21.903 153 HG3 ARG 18 HG1 ARG 18 10.544 -0.793 21.035 154 HD2 ARG 18 HD2 ARG 18 10.102 2.083 21.670 155 HD3 ARG 18 HD1 ARG 18 10.468 1.018 23.028 156 HE ARG 18 HE ARG 18 12.286 0.574 20.823 157 HH11 ARG 18 HH11 ARG 18 11.532 2.690 23.482 158 HH12 ARG 18 HH12 ARG 18 13.151 3.259 23.669 159 HH21 ARG 18 HH21 ARG 18 14.403 1.328 21.065 160 HH22 ARG 18 HH22 ARG 18 14.782 2.485 22.302 161 H LEU 19 HN LEU 19 9.922 -1.196 17.503 162 HA LEU 19 HA LEU 19 11.973 -2.869 18.559 163 HB2 LEU 19 HB2 LEU 19 9.969 -3.702 17.367 164 HB3 LEU 19 HB1 LEU 19 10.594 -3.028 15.864 165 HG LEU 19 HG LEU 19 12.634 -4.468 16.126 166 HD11 LEU 19 HD11 LEU 19 12.178 -6.457 17.766 167 HD12 LEU 19 HD12 LEU 19 11.093 -5.321 18.566 168 HD13 LEU 19 HD13 LEU 19 12.809 -4.945 18.414 169 HD21 LEU 19 HD21 LEU 19 10.219 -6.253 16.273 170 HD22 LEU 19 HD22 LEU 19 11.609 -6.351 15.193 171 HD23 LEU 19 HD23 LEU 19 10.380 -5.113 14.937 172 H VAL 20 HN VAL 20 11.855 -0.836 15.647 173 HA VAL 20 HA VAL 20 14.453 -1.573 14.669 174 HB VAL 20 HB VAL 20 12.686 0.825 14.133 175 HG11 VAL 20 HG11 VAL 20 14.771 1.650 13.484 176 HG12 VAL 20 HG12 VAL 20 14.240 0.853 12.005 177 HG13 VAL 20 HG13 VAL 20 15.392 0.051 13.073 178 HG21 VAL 20 HG21 VAL 20 11.760 -0.416 12.454 179 HG22 VAL 20 HG22 VAL 20 12.314 -1.784 13.418 180 HG23 VAL 20 HG23 VAL 20 13.283 -1.211 12.062 181 H THR 21 HN THR 21 13.283 1.175 16.618 182 HA THR 21 HA THR 21 15.856 2.462 16.800 183 HB THR 21 HB THR 21 13.523 2.827 18.684 184 HG1 THR 21 HG1 THR 21 12.583 3.058 16.745 185 HG21 THR 21 HG21 THR 21 15.235 4.184 19.454 186 HG22 THR 21 HG22 THR 21 14.474 5.267 18.290 187 HG23 THR 21 HG23 THR 21 15.938 4.391 17.851 188 H GLY 22 HN GLY 22 17.563 1.881 18.056 189 HA2 GLY 22 HA2 GLY 22 17.549 1.410 20.767 190 HA3 GLY 22 HA1 GLY 22 17.280 -0.182 20.065 191 HN1 NH2 23 H1 GLY 22 18.981 -0.932 18.436 Start of MODEL 8 1 H1 PHE 1 HT1 PHE 1 -15.257 4.530 15.361 2 H2 PHE 1 HT2 PHE 1 -16.793 3.805 15.332 3 H3 PHE 1 HT3 PHE 1 -16.424 5.058 14.247 4 HA PHE 1 HA PHE 1 -15.423 2.271 14.254 5 HB2 PHE 1 HB2 PHE 1 -16.791 4.020 12.180 6 HB3 PHE 1 HB1 PHE 1 -16.217 2.377 11.886 7 HD1 PHE 1 HD1 PHE 1 -17.041 0.579 13.601 8 HD2 PHE 1 HD2 PHE 1 -18.957 4.321 12.961 9 HE1 PHE 1 HE1 PHE 1 -19.107 -0.310 14.586 10 HE2 PHE 1 HE2 PHE 1 -21.023 3.433 13.946 11 HZ PHE 1 HZ PHE 1 -21.097 1.117 14.758 12 H PHE 2 HN PHE 2 -14.980 5.420 12.568 13 HA PHE 2 HA PHE 2 -12.531 4.663 11.315 14 HB2 PHE 2 HB2 PHE 2 -13.655 7.407 11.944 15 HB3 PHE 2 HB1 PHE 2 -12.280 7.100 10.883 16 HD1 PHE 2 HD1 PHE 2 -15.840 7.237 11.121 17 HD2 PHE 2 HD2 PHE 2 -12.639 5.543 8.894 18 HE1 PHE 2 HE1 PHE 2 -17.375 6.785 9.259 19 HE2 PHE 2 HE2 PHE 2 -14.173 5.092 7.031 20 HZ PHE 2 HZ PHE 2 -16.541 5.713 7.214 21 H HIS 3 HN HIS 3 -13.208 6.331 14.378 22 HA HIS 3 HA HIS 3 -10.579 7.151 14.985 23 HB2 HIS 3 HB2 HIS 3 -12.664 7.846 16.187 24 HB3 HIS 3 HB1 HIS 3 -12.687 6.269 16.974 25 HD2 HIS 3 HD2 HIS 3 -10.416 9.510 16.942 26 HE1 HIS 3 HE1 HIS 3 -9.358 7.157 20.283 27 HE2 HIS 3 HE2 HIS 3 -8.966 9.375 19.110 28 H HIS 4 HN HIS 4 -12.191 4.038 15.626 29 HA HIS 4 HA HIS 4 -9.997 2.942 17.143 30 HB2 HIS 4 HB2 HIS 4 -12.327 2.101 17.322 31 HB3 HIS 4 HB1 HIS 4 -12.213 1.484 15.675 32 HD2 HIS 4 HD2 HIS 4 -11.568 -1.192 15.786 33 HE1 HIS 4 HE1 HIS 4 -9.105 -1.096 19.215 34 HE2 HIS 4 HE2 HIS 4 -10.076 -2.595 17.409 35 H ILE 5 HN ILE 5 -10.978 2.830 13.747 36 HA ILE 5 HA ILE 5 -9.064 0.918 12.860 37 HB ILE 5 HB ILE 5 -10.487 3.155 11.401 38 HG12 ILE 5 HG12 ILE 5 -10.885 0.158 11.228 39 HG13 ILE 5 HG11 ILE 5 -11.753 1.152 12.397 40 HG21 ILE 5 HG21 ILE 5 -8.558 1.047 10.426 41 HG22 ILE 5 HG22 ILE 5 -8.602 2.766 10.031 42 HG23 ILE 5 HG23 ILE 5 -9.816 1.677 9.365 43 HD11 ILE 5 HD11 ILE 5 -13.279 1.435 10.738 44 HD12 ILE 5 HD12 ILE 5 -12.152 0.898 9.493 45 HD13 ILE 5 HD13 ILE 5 -12.111 2.567 10.058 46 H PHE 6 HN PHE 6 -8.899 4.488 13.036 47 HA PHE 6 HA PHE 6 -6.246 4.635 11.893 48 HB2 PHE 6 HB2 PHE 6 -7.973 6.574 13.432 49 HB3 PHE 6 HB1 PHE 6 -6.315 6.975 12.984 50 HD1 PHE 6 HD1 PHE 6 -9.671 7.025 11.913 51 HD2 PHE 6 HD2 PHE 6 -5.701 6.520 10.478 52 HE1 PHE 6 HE1 PHE 6 -10.414 7.612 9.647 53 HE2 PHE 6 HE2 PHE 6 -6.444 7.106 8.213 54 HZ PHE 6 HZ PHE 6 -8.801 7.652 7.797 55 H ARG 7 HN ARG 7 -7.576 4.393 15.137 56 HA ARG 7 HA ARG 7 -5.230 4.905 16.644 57 HB2 ARG 7 HB2 ARG 7 -7.493 4.844 17.586 58 HB3 ARG 7 HB1 ARG 7 -7.589 3.114 17.273 59 HG2 ARG 7 HG2 ARG 7 -5.822 2.656 18.851 60 HG3 ARG 7 HG1 ARG 7 -5.460 4.375 19.024 61 HD2 ARG 7 HD2 ARG 7 -6.795 3.632 20.931 62 HD3 ARG 7 HD1 ARG 7 -7.740 4.738 19.936 63 HE ARG 7 HE ARG 7 -8.242 2.084 19.057 64 HH11 ARG 7 HH11 ARG 7 -8.757 4.166 21.788 65 HH12 ARG 7 HH12 ARG 7 -10.231 3.403 22.266 66 HH21 ARG 7 HH21 ARG 7 -10.179 1.092 19.669 67 HH22 ARG 7 HH22 ARG 7 -11.036 1.658 21.071 68 H GLY 8 HN GLY 8 -6.528 1.866 15.307 69 HA2 GLY 8 HA2 GLY 8 -4.558 0.116 16.416 70 HA3 GLY 8 HA1 GLY 8 -5.558 -0.218 15.006 71 H ILE 9 HN ILE 9 -4.644 2.079 13.512 72 HA ILE 9 HA ILE 9 -2.345 0.935 12.205 73 HB ILE 9 HB ILE 9 -3.649 3.659 11.964 74 HG12 ILE 9 HG12 ILE 9 -4.932 1.608 11.219 75 HG13 ILE 9 HG11 ILE 9 -4.626 2.783 9.944 76 HG21 ILE 9 HG21 ILE 9 -1.500 4.117 11.164 77 HG22 ILE 9 HG22 ILE 9 -2.321 3.573 9.701 78 HG23 ILE 9 HG23 ILE 9 -1.259 2.470 10.577 79 HD11 ILE 9 HD11 ILE 9 -2.542 0.690 10.265 80 HD12 ILE 9 HD12 ILE 9 -3.239 1.377 8.800 81 HD13 ILE 9 HD13 ILE 9 -4.110 0.128 9.686 82 H VAL 10 HN VAL 10 -2.799 3.696 14.376 83 HA VAL 10 HA VAL 10 -0.099 4.598 14.407 84 HB VAL 10 HB VAL 10 -2.305 4.887 16.463 85 HG11 VAL 10 HG11 VAL 10 -0.774 6.992 16.962 86 HG12 VAL 10 HG12 VAL 10 0.496 5.955 16.316 87 HG13 VAL 10 HG13 VAL 10 -0.431 5.441 17.727 88 HG21 VAL 10 HG21 VAL 10 -3.110 6.143 14.726 89 HG22 VAL 10 HG22 VAL 10 -1.531 6.273 13.954 90 HG23 VAL 10 HG23 VAL 10 -1.940 7.323 15.310 91 H HIS 11 HN HIS 11 -1.836 2.286 16.491 92 HA HIS 11 HA HIS 11 0.338 1.889 18.325 93 HB2 HIS 11 HB2 HIS 11 -2.117 0.274 17.649 94 HB3 HIS 11 HB1 HIS 11 -0.933 -0.287 18.829 95 HD2 HIS 11 HD2 HIS 11 -4.138 1.246 19.282 96 HE1 HIS 11 HE1 HIS 11 -1.738 3.596 21.841 97 HE2 HIS 11 HE2 HIS 11 -4.123 2.948 21.263 98 H VAL 12 HN VAL 12 -0.694 0.170 15.386 99 HA VAL 12 HA VAL 12 1.222 -1.933 15.513 100 HB VAL 12 HB VAL 12 -0.211 -0.649 13.178 101 HG11 VAL 12 HG11 VAL 12 1.795 -2.907 13.251 102 HG12 VAL 12 HG12 VAL 12 1.716 -1.544 12.133 103 HG13 VAL 12 HG13 VAL 12 0.537 -2.849 12.017 104 HG21 VAL 12 HG21 VAL 12 -0.658 -3.473 13.831 105 HG22 VAL 12 HG22 VAL 12 -1.831 -2.177 13.603 106 HG23 VAL 12 HG23 VAL 12 -1.055 -2.397 15.171 107 H GLY 13 HN GLY 13 1.381 1.264 13.918 108 HA2 GLY 13 HA2 GLY 13 4.013 0.971 12.833 109 HA3 GLY 13 HA1 GLY 13 3.192 2.497 13.148 110 H LYS 14 HN LYS 14 2.788 1.960 15.956 111 HA LYS 14 HA LYS 14 5.095 3.139 17.093 112 HB2 LYS 14 HB2 LYS 14 2.657 2.970 17.958 113 HB3 LYS 14 HB1 LYS 14 3.163 1.435 18.653 114 HG2 LYS 14 HG2 LYS 14 5.132 2.775 19.678 115 HG3 LYS 14 HG1 LYS 14 4.177 4.206 19.285 116 HD2 LYS 14 HD2 LYS 14 3.125 1.866 20.904 117 HD3 LYS 14 HD1 LYS 14 3.786 3.337 21.619 118 HE2 LYS 14 HE2 LYS 14 2.019 4.669 20.845 119 HE3 LYS 14 HE1 LYS 14 1.579 3.530 19.575 120 HZ1 LYS 14 HZ1 LYS 14 0.637 3.669 22.243 121 HZ2 LYS 14 HZ2 LYS 14 1.341 2.151 21.959 122 HZ3 LYS 14 HZ3 LYS 14 0.068 2.701 20.959 123 H THR 15 HN THR 15 4.069 -0.254 16.853 124 HA THR 15 HA THR 15 6.120 -1.353 18.525 125 HB THR 15 HB THR 15 5.494 -3.501 17.560 126 HG1 THR 15 HG1 THR 15 4.041 -1.924 15.678 127 HG21 THR 15 HG21 THR 15 2.855 -2.134 17.599 128 HG22 THR 15 HG22 THR 15 3.871 -1.932 19.026 129 HG23 THR 15 HG23 THR 15 3.408 -3.548 18.495 130 H ILE 16 HN ILE 16 5.889 -0.789 15.034 131 HA ILE 16 HA ILE 16 8.361 -2.059 14.334 132 HB ILE 16 HB ILE 16 6.752 0.110 12.957 133 HG12 ILE 16 HG12 ILE 16 7.094 -2.813 12.237 134 HG13 ILE 16 HG11 ILE 16 5.800 -2.250 13.294 135 HG21 ILE 16 HG21 ILE 16 9.331 -1.248 12.242 136 HG22 ILE 16 HG22 ILE 16 8.815 0.409 11.924 137 HG23 ILE 16 HG23 ILE 16 8.175 -0.915 10.953 138 HD11 ILE 16 HD11 ILE 16 5.740 -2.322 10.495 139 HD12 ILE 16 HD12 ILE 16 5.982 -0.619 10.886 140 HD13 ILE 16 HD13 ILE 16 4.596 -1.486 11.545 141 H HIS 17 HN HIS 17 7.509 1.331 15.015 142 HA HIS 17 HA HIS 17 10.066 2.461 14.614 143 HB2 HIS 17 HB2 HIS 17 7.849 3.671 14.930 144 HB3 HIS 17 HB1 HIS 17 8.058 3.424 16.663 145 HD2 HIS 17 HD2 HIS 17 9.776 5.264 17.871 146 HE1 HIS 17 HE1 HIS 17 11.347 6.955 14.336 147 HE2 HIS 17 HE2 HIS 17 11.310 7.125 16.869 148 H ARG 18 HN ARG 18 8.610 1.027 17.512 149 HA ARG 18 HA ARG 18 10.746 1.687 19.300 150 HB2 ARG 18 HB2 ARG 18 8.327 0.878 19.825 151 HB3 ARG 18 HB1 ARG 18 9.008 -0.742 19.667 152 HG2 ARG 18 HG2 ARG 18 10.594 1.158 21.308 153 HG3 ARG 18 HG1 ARG 18 9.043 0.674 21.992 154 HD2 ARG 18 HD2 ARG 18 9.632 -1.657 21.876 155 HD3 ARG 18 HD1 ARG 18 11.080 -1.308 20.938 156 HE ARG 18 HE ARG 18 10.733 -0.954 23.830 157 HH11 ARG 18 HH11 ARG 18 12.592 -0.286 20.966 158 HH12 ARG 18 HH12 ARG 18 14.036 0.102 21.838 159 HH21 ARG 18 HH21 ARG 18 12.626 -0.436 24.957 160 HH22 ARG 18 HH22 ARG 18 14.055 0.016 24.099 161 H LEU 19 HN LEU 19 10.071 -1.199 17.326 162 HA LEU 19 HA LEU 19 12.177 -2.814 18.323 163 HB2 LEU 19 HB2 LEU 19 10.596 -2.784 15.770 164 HB3 LEU 19 HB1 LEU 19 11.912 -3.936 15.995 165 HG LEU 19 HG LEU 19 9.698 -3.600 18.031 166 HD11 LEU 19 HD11 LEU 19 9.536 -6.011 16.419 167 HD12 LEU 19 HD12 LEU 19 9.387 -4.571 15.411 168 HD13 LEU 19 HD13 LEU 19 8.283 -4.818 16.763 169 HD21 LEU 19 HD21 LEU 19 11.971 -5.496 17.540 170 HD22 LEU 19 HD22 LEU 19 10.510 -6.114 18.308 171 HD23 LEU 19 HD23 LEU 19 11.410 -4.798 19.059 172 H VAL 20 HN VAL 20 12.131 -0.586 15.535 173 HA VAL 20 HA VAL 20 14.844 -1.229 14.758 174 HB VAL 20 HB VAL 20 14.667 0.742 13.257 175 HG11 VAL 20 HG11 VAL 20 12.206 -1.030 13.211 176 HG12 VAL 20 HG12 VAL 20 13.801 -1.524 12.639 177 HG13 VAL 20 HG13 VAL 20 12.942 -0.210 11.835 178 HG21 VAL 20 HG21 VAL 20 12.261 1.706 13.126 179 HG22 VAL 20 HG22 VAL 20 13.316 2.312 14.402 180 HG23 VAL 20 HG23 VAL 20 12.081 1.112 14.773 181 H THR 21 HN THR 21 13.376 1.342 16.731 182 HA THR 21 HA THR 21 15.840 2.811 17.046 183 HB THR 21 HB THR 21 14.502 3.883 18.970 184 HG1 THR 21 HG1 THR 21 12.308 2.648 17.695 185 HG21 THR 21 HG21 THR 21 13.486 3.888 16.117 186 HG22 THR 21 HG22 THR 21 14.697 4.966 16.813 187 HG23 THR 21 HG23 THR 21 13.017 5.069 17.338 188 H GLY 22 HN GLY 22 17.559 2.197 18.241 189 HA2 GLY 22 HA2 GLY 22 17.726 1.727 20.892 190 HA3 GLY 22 HA1 GLY 22 17.222 0.146 20.305 191 HN1 NH2 23 H1 GLY 22 18.675 -0.213 17.986 Start of MODEL 9 1 H1 PHE 1 HT1 PHE 1 -15.865 4.157 14.770 2 H2 PHE 1 HT2 PHE 1 -15.192 3.215 16.019 3 H3 PHE 1 HT3 PHE 1 -16.774 2.906 15.469 4 HA PHE 1 HA PHE 1 -14.949 1.344 14.669 5 HB2 PHE 1 HB2 PHE 1 -16.763 2.783 12.699 6 HB3 PHE 1 HB1 PHE 1 -15.982 1.229 12.402 7 HD1 PHE 1 HD1 PHE 1 -18.864 2.812 13.701 8 HD2 PHE 1 HD2 PHE 1 -16.379 -0.601 14.211 9 HE1 PHE 1 HE1 PHE 1 -20.679 1.668 14.893 10 HE2 PHE 1 HE2 PHE 1 -18.195 -1.745 15.404 11 HZ PHE 1 HZ PHE 1 -20.345 -0.611 15.744 12 H PHE 2 HN PHE 2 -15.198 4.458 12.852 13 HA PHE 2 HA PHE 2 -12.800 4.052 11.381 14 HB2 PHE 2 HB2 PHE 2 -14.244 6.614 12.115 15 HB3 PHE 2 HB1 PHE 2 -12.943 6.500 10.929 16 HD1 PHE 2 HD1 PHE 2 -16.439 6.257 11.432 17 HD2 PHE 2 HD2 PHE 2 -13.260 4.740 9.048 18 HE1 PHE 2 HE1 PHE 2 -18.055 5.558 9.721 19 HE2 PHE 2 HE2 PHE 2 -14.877 4.043 7.337 20 HZ PHE 2 HZ PHE 2 -17.273 4.452 7.673 21 H HIS 3 HN HIS 3 -13.448 5.748 14.427 22 HA HIS 3 HA HIS 3 -10.871 6.855 14.836 23 HB2 HIS 3 HB2 HIS 3 -12.837 5.889 16.933 24 HB3 HIS 3 HB1 HIS 3 -11.537 7.054 17.175 25 HD2 HIS 3 HD2 HIS 3 -12.152 9.676 16.362 26 HE1 HIS 3 HE1 HIS 3 -15.975 8.823 14.781 27 HE2 HIS 3 HE2 HIS 3 -14.356 10.684 15.387 28 H HIS 4 HN HIS 4 -12.208 3.675 15.547 29 HA HIS 4 HA HIS 4 -10.004 2.700 17.109 30 HB2 HIS 4 HB2 HIS 4 -12.052 1.150 15.492 31 HB3 HIS 4 HB1 HIS 4 -11.047 0.516 16.797 32 HD2 HIS 4 HD2 HIS 4 -11.813 1.389 19.420 33 HE1 HIS 4 HE1 HIS 4 -15.413 3.225 18.197 34 HE2 HIS 4 HE2 HIS 4 -14.055 2.473 20.207 35 H ILE 5 HN ILE 5 -10.859 2.604 13.694 36 HA ILE 5 HA ILE 5 -8.788 0.849 12.806 37 HB ILE 5 HB ILE 5 -10.345 3.003 11.355 38 HG12 ILE 5 HG12 ILE 5 -10.544 -0.014 11.144 39 HG13 ILE 5 HG11 ILE 5 -11.502 0.913 12.296 40 HG21 ILE 5 HG21 ILE 5 -9.544 1.604 9.316 41 HG22 ILE 5 HG22 ILE 5 -8.268 1.033 10.391 42 HG23 ILE 5 HG23 ILE 5 -8.410 2.754 10.022 43 HD11 ILE 5 HD11 ILE 5 -11.746 0.742 9.345 44 HD12 ILE 5 HD12 ILE 5 -11.970 2.348 10.040 45 HD13 ILE 5 HD13 ILE 5 -12.990 1.010 10.565 46 H PHE 6 HN PHE 6 -8.924 4.405 13.102 47 HA PHE 6 HA PHE 6 -6.321 4.863 11.965 48 HB2 PHE 6 HB2 PHE 6 -8.160 6.522 13.688 49 HB3 PHE 6 HB1 PHE 6 -6.560 7.097 13.220 50 HD1 PHE 6 HD1 PHE 6 -9.956 6.811 12.227 51 HD2 PHE 6 HD2 PHE 6 -5.991 6.985 10.702 52 HE1 PHE 6 HE1 PHE 6 -10.829 7.483 10.033 53 HE2 PHE 6 HE2 PHE 6 -6.863 7.655 8.507 54 HZ PHE 6 HZ PHE 6 -9.284 7.905 8.172 55 H ARG 7 HN ARG 7 -7.518 4.287 15.232 56 HA ARG 7 HA ARG 7 -5.092 4.885 16.620 57 HB2 ARG 7 HB2 ARG 7 -7.656 3.603 17.257 58 HB3 ARG 7 HB1 ARG 7 -6.299 2.961 18.178 59 HG2 ARG 7 HG2 ARG 7 -6.845 5.931 17.899 60 HG3 ARG 7 HG1 ARG 7 -7.466 4.959 19.234 61 HD2 ARG 7 HD2 ARG 7 -4.552 5.377 18.505 62 HD3 ARG 7 HD1 ARG 7 -5.374 6.021 19.923 63 HE ARG 7 HE ARG 7 -5.767 3.450 20.392 64 HH11 ARG 7 HH11 ARG 7 -2.946 4.979 19.065 65 HH12 ARG 7 HH12 ARG 7 -1.853 3.777 19.658 66 HH21 ARG 7 HH21 ARG 7 -4.331 1.884 21.163 67 HH22 ARG 7 HH22 ARG 7 -2.630 2.017 20.837 68 H GLY 8 HN GLY 8 -6.319 1.892 15.147 69 HA2 GLY 8 HA2 GLY 8 -4.273 0.163 16.136 70 HA3 GLY 8 HA1 GLY 8 -5.272 -0.125 14.717 71 H ILE 9 HN ILE 9 -4.490 2.280 13.329 72 HA ILE 9 HA ILE 9 -2.121 1.315 11.994 73 HB ILE 9 HB ILE 9 -3.593 3.957 11.812 74 HG12 ILE 9 HG12 ILE 9 -4.853 1.979 11.024 75 HG13 ILE 9 HG11 ILE 9 -4.415 3.027 9.679 76 HG21 ILE 9 HG21 ILE 9 -1.470 4.536 11.024 77 HG22 ILE 9 HG22 ILE 9 -2.273 3.996 9.550 78 HG23 ILE 9 HG23 ILE 9 -1.153 2.922 10.388 79 HD11 ILE 9 HD11 ILE 9 -2.372 1.526 9.344 80 HD12 ILE 9 HD12 ILE 9 -3.927 0.791 8.965 81 HD13 ILE 9 HD13 ILE 9 -3.121 0.409 10.485 82 H VAL 10 HN VAL 10 -2.768 3.998 14.221 83 HA VAL 10 HA VAL 10 -0.117 5.047 14.282 84 HB VAL 10 HB VAL 10 -2.366 5.208 16.307 85 HG11 VAL 10 HG11 VAL 10 -1.026 7.259 17.065 86 HG12 VAL 10 HG12 VAL 10 0.329 6.581 16.165 87 HG13 VAL 10 HG13 VAL 10 -0.363 5.690 17.521 88 HG21 VAL 10 HG21 VAL 10 -1.337 7.157 14.215 89 HG22 VAL 10 HG22 VAL 10 -2.664 7.457 15.337 90 HG23 VAL 10 HG23 VAL 10 -2.825 6.221 14.093 91 H HIS 11 HN HIS 11 -1.777 2.655 16.330 92 HA HIS 11 HA HIS 11 0.358 2.306 18.202 93 HB2 HIS 11 HB2 HIS 11 -2.193 1.497 18.166 94 HB3 HIS 11 HB1 HIS 11 -1.450 0.016 17.562 95 HD2 HIS 11 HD2 HIS 11 0.252 -1.310 19.443 96 HE1 HIS 11 HE1 HIS 11 -0.702 1.200 22.702 97 HE2 HIS 11 HE2 HIS 11 0.462 -0.952 22.021 98 H VAL 12 HN VAL 12 -0.535 0.580 15.227 99 HA VAL 12 HA VAL 12 1.517 -1.397 15.325 100 HB VAL 12 HB VAL 12 -0.053 -0.204 13.032 101 HG11 VAL 12 HG11 VAL 12 1.890 -0.929 11.915 102 HG12 VAL 12 HG12 VAL 12 0.844 -2.346 11.842 103 HG13 VAL 12 HG13 VAL 12 2.146 -2.271 13.030 104 HG21 VAL 12 HG21 VAL 12 -0.922 -1.847 14.950 105 HG22 VAL 12 HG22 VAL 12 -0.152 -3.060 13.927 106 HG23 VAL 12 HG23 VAL 12 -1.438 -2.044 13.276 107 H GLY 13 HN GLY 13 1.427 1.831 13.792 108 HA2 GLY 13 HA2 GLY 13 4.034 1.686 12.629 109 HA3 GLY 13 HA1 GLY 13 3.135 3.161 12.956 110 H LYS 14 HN LYS 14 2.879 3.004 15.731 111 HA LYS 14 HA LYS 14 5.404 4.031 16.584 112 HB2 LYS 14 HB2 LYS 14 3.013 4.459 17.535 113 HB3 LYS 14 HB1 LYS 14 3.343 3.045 18.538 114 HG2 LYS 14 HG2 LYS 14 4.116 4.859 19.848 115 HG3 LYS 14 HG1 LYS 14 5.585 4.223 19.107 116 HD2 LYS 14 HD2 LYS 14 4.372 6.127 17.315 117 HD3 LYS 14 HD1 LYS 14 4.541 6.866 18.907 118 HE2 LYS 14 HE2 LYS 14 6.825 6.866 18.813 119 HE3 LYS 14 HE1 LYS 14 6.889 5.304 17.994 120 HZ1 LYS 14 HZ1 LYS 14 5.738 7.444 16.425 121 HZ2 LYS 14 HZ2 LYS 14 6.875 6.251 15.973 122 HZ3 LYS 14 HZ3 LYS 14 7.380 7.659 16.800 123 H THR 15 HN THR 15 3.876 0.855 16.974 124 HA THR 15 HA THR 15 5.798 -0.222 18.793 125 HB THR 15 HB THR 15 4.907 -2.440 17.567 126 HG1 THR 15 HG1 THR 15 2.820 -0.568 17.153 127 HG21 THR 15 HG21 THR 15 4.469 -1.986 19.877 128 HG22 THR 15 HG22 THR 15 2.903 -2.257 19.113 129 HG23 THR 15 HG23 THR 15 3.436 -0.615 19.475 130 H ILE 16 HN ILE 16 5.673 0.035 15.300 131 HA ILE 16 HA ILE 16 7.895 -1.704 14.713 132 HB ILE 16 HB ILE 16 6.696 0.609 13.166 133 HG12 ILE 16 HG12 ILE 16 6.627 -2.359 12.573 134 HG13 ILE 16 HG11 ILE 16 5.404 -1.580 13.574 135 HG21 ILE 16 HG21 ILE 16 8.849 0.538 12.267 136 HG22 ILE 16 HG22 ILE 16 8.016 -0.644 11.260 137 HG23 ILE 16 HG23 ILE 16 9.039 -1.185 12.590 138 HD11 ILE 16 HD11 ILE 16 4.409 -0.585 11.791 139 HD12 ILE 16 HD12 ILE 16 5.277 -1.786 10.838 140 HD13 ILE 16 HD13 ILE 16 5.951 -0.170 11.043 141 H HIS 17 HN HIS 17 7.621 1.792 15.279 142 HA HIS 17 HA HIS 17 10.308 2.537 14.868 143 HB2 HIS 17 HB2 HIS 17 8.335 3.686 16.866 144 HB3 HIS 17 HB1 HIS 17 9.795 4.483 16.284 145 HD2 HIS 17 HD2 HIS 17 9.028 3.321 13.055 146 HE1 HIS 17 HE1 HIS 17 5.938 6.159 13.519 147 HE2 HIS 17 HE2 HIS 17 7.211 4.745 11.836 148 H ARG 18 HN ARG 18 8.725 1.250 17.771 149 HA ARG 18 HA ARG 18 11.023 1.553 19.489 150 HB2 ARG 18 HB2 ARG 18 8.509 -0.104 19.704 151 HB3 ARG 18 HB1 ARG 18 9.765 -0.112 20.943 152 HG2 ARG 18 HG2 ARG 18 9.542 2.347 21.169 153 HG3 ARG 18 HG1 ARG 18 8.260 2.335 19.958 154 HD2 ARG 18 HD2 ARG 18 6.904 0.860 21.384 155 HD3 ARG 18 HD1 ARG 18 8.182 0.832 22.593 156 HE ARG 18 HE ARG 18 6.319 3.029 22.059 157 HH11 ARG 18 HH11 ARG 18 9.308 1.993 23.490 158 HH12 ARG 18 HH12 ARG 18 9.392 3.310 24.605 159 HH21 ARG 18 HH21 ARG 18 6.437 4.759 23.516 160 HH22 ARG 18 HH22 ARG 18 7.762 4.881 24.618 161 H LEU 19 HN LEU 19 9.769 -1.093 17.489 162 HA LEU 19 HA LEU 19 11.567 -3.110 18.398 163 HB2 LEU 19 HB2 LEU 19 9.508 -3.604 17.166 164 HB3 LEU 19 HB1 LEU 19 10.160 -2.818 15.731 165 HG LEU 19 HG LEU 19 12.060 -4.486 15.780 166 HD11 LEU 19 HD11 LEU 19 10.438 -5.425 18.119 167 HD12 LEU 19 HD12 LEU 19 12.191 -5.369 17.923 168 HD13 LEU 19 HD13 LEU 19 11.253 -6.631 17.123 169 HD21 LEU 19 HD21 LEU 19 10.760 -6.249 14.762 170 HD22 LEU 19 HD22 LEU 19 9.972 -4.720 14.375 171 HD23 LEU 19 HD23 LEU 19 9.312 -5.757 15.639 172 H VAL 20 HN VAL 20 11.790 -0.876 15.612 173 HA VAL 20 HA VAL 20 14.328 -1.949 14.729 174 HB VAL 20 HB VAL 20 14.413 0.004 13.221 175 HG11 VAL 20 HG11 VAL 20 12.434 -0.559 11.924 176 HG12 VAL 20 HG12 VAL 20 11.652 -1.245 13.348 177 HG13 VAL 20 HG13 VAL 20 13.074 -2.028 12.661 178 HG21 VAL 20 HG21 VAL 20 12.235 1.433 13.260 179 HG22 VAL 20 HG22 VAL 20 13.499 1.810 14.431 180 HG23 VAL 20 HG23 VAL 20 12.085 0.881 14.926 181 H THR 21 HN THR 21 13.379 0.799 16.751 182 HA THR 21 HA THR 21 16.028 1.909 16.976 183 HB THR 21 HB THR 21 13.713 2.285 18.881 184 HG1 THR 21 HG1 THR 21 12.815 2.819 17.005 185 HG21 THR 21 HG21 THR 21 15.661 3.320 19.743 186 HG22 THR 21 HG22 THR 21 14.789 4.618 18.926 187 HG23 THR 21 HG23 THR 21 16.179 3.865 18.146 188 H GLY 22 HN GLY 22 17.705 1.096 18.130 189 HA2 GLY 22 HA2 GLY 22 17.459 0.306 20.854 190 HA3 GLY 22 HA1 GLY 22 17.522 -1.129 19.834 191 HN1 NH2 23 H1 GLY 22 19.645 -1.492 21.056 Start of MODEL 10 1 H1 PHE 1 HT1 PHE 1 -16.448 2.196 15.351 2 H2 PHE 1 HT2 PHE 1 -16.627 3.362 14.128 3 H3 PHE 1 HT3 PHE 1 -15.260 3.388 15.138 4 HA PHE 1 HA PHE 1 -14.877 1.001 14.214 5 HB2 PHE 1 HB2 PHE 1 -17.093 1.057 13.012 6 HB3 PHE 1 HB1 PHE 1 -16.436 2.308 11.957 7 HD1 PHE 1 HD1 PHE 1 -15.439 1.619 9.978 8 HD2 PHE 1 HD2 PHE 1 -15.528 -1.061 13.279 9 HE1 PHE 1 HE1 PHE 1 -14.399 -0.121 8.593 10 HE2 PHE 1 HE2 PHE 1 -14.488 -2.801 11.894 11 HZ PHE 1 HZ PHE 1 -13.924 -2.331 9.551 12 H PHE 2 HN PHE 2 -15.161 4.136 12.455 13 HA PHE 2 HA PHE 2 -12.638 3.962 11.175 14 HB2 PHE 2 HB2 PHE 2 -14.518 5.508 10.551 15 HB3 PHE 2 HB1 PHE 2 -14.098 6.500 11.945 16 HD1 PHE 2 HD1 PHE 2 -12.526 4.919 8.962 17 HD2 PHE 2 HD2 PHE 2 -12.535 8.203 11.662 18 HE1 PHE 2 HE1 PHE 2 -10.783 6.019 7.628 19 HE2 PHE 2 HE2 PHE 2 -10.792 9.305 10.328 20 HZ PHE 2 HZ PHE 2 -9.916 8.213 8.312 21 H HIS 3 HN HIS 3 -13.569 5.513 14.249 22 HA HIS 3 HA HIS 3 -11.099 6.740 14.840 23 HB2 HIS 3 HB2 HIS 3 -13.325 5.703 16.594 24 HB3 HIS 3 HB1 HIS 3 -11.896 6.477 17.272 25 HD2 HIS 3 HD2 HIS 3 -15.250 7.507 15.758 26 HE1 HIS 3 HE1 HIS 3 -12.822 10.960 15.679 27 HE2 HIS 3 HE2 HIS 3 -15.192 10.092 15.394 28 H HIS 4 HN HIS 4 -12.202 3.423 15.510 29 HA HIS 4 HA HIS 4 -9.935 2.668 17.100 30 HB2 HIS 4 HB2 HIS 4 -12.132 1.455 17.046 31 HB3 HIS 4 HB1 HIS 4 -11.712 0.861 15.440 32 HD2 HIS 4 HD2 HIS 4 -10.613 -1.650 15.698 33 HE1 HIS 4 HE1 HIS 4 -8.608 -1.071 19.369 34 HE2 HIS 4 HE2 HIS 4 -9.079 -2.738 17.511 35 H ILE 5 HN ILE 5 -10.680 2.483 13.663 36 HA ILE 5 HA ILE 5 -8.399 0.975 12.842 37 HB ILE 5 HB ILE 5 -10.122 2.967 11.346 38 HG12 ILE 5 HG12 ILE 5 -9.989 -0.050 11.102 39 HG13 ILE 5 HG11 ILE 5 -11.079 0.752 12.230 40 HG21 ILE 5 HG21 ILE 5 -8.102 2.933 10.102 41 HG22 ILE 5 HG22 ILE 5 -9.105 1.710 9.324 42 HG23 ILE 5 HG23 ILE 5 -7.826 1.223 10.435 43 HD11 ILE 5 HD11 ILE 5 -11.151 1.846 9.487 44 HD12 ILE 5 HD12 ILE 5 -12.477 1.452 10.579 45 HD13 ILE 5 HD13 ILE 5 -11.711 0.179 9.629 46 H PHE 6 HN PHE 6 -8.930 4.493 13.148 47 HA PHE 6 HA PHE 6 -6.394 5.288 12.083 48 HB2 PHE 6 HB2 PHE 6 -8.379 6.791 12.361 49 HB3 PHE 6 HB1 PHE 6 -8.114 6.758 14.102 50 HD1 PHE 6 HD1 PHE 6 -6.469 7.592 10.881 51 HD2 PHE 6 HD2 PHE 6 -6.529 8.183 15.091 52 HE1 PHE 6 HE1 PHE 6 -4.783 9.363 10.656 53 HE2 PHE 6 HE2 PHE 6 -4.844 9.955 14.867 54 HZ PHE 6 HZ PHE 6 -3.971 10.544 12.649 55 H ARG 7 HN ARG 7 -7.538 4.670 15.379 56 HA ARG 7 HA ARG 7 -5.099 5.373 16.717 57 HB2 ARG 7 HB2 ARG 7 -7.622 3.996 17.450 58 HB3 ARG 7 HB1 ARG 7 -6.220 3.622 18.451 59 HG2 ARG 7 HG2 ARG 7 -7.010 5.509 19.550 60 HG3 ARG 7 HG1 ARG 7 -5.895 6.259 18.409 61 HD2 ARG 7 HD2 ARG 7 -7.772 6.635 16.841 62 HD3 ARG 7 HD1 ARG 7 -8.880 5.914 18.009 63 HE ARG 7 HE ARG 7 -7.463 8.019 19.282 64 HH11 ARG 7 HH11 ARG 7 -9.809 7.471 16.786 65 HH12 ARG 7 HH12 ARG 7 -10.619 8.984 17.011 66 HH21 ARG 7 HH21 ARG 7 -8.517 10.002 19.579 67 HH22 ARG 7 HH22 ARG 7 -9.873 10.424 18.594 68 H GLY 8 HN GLY 8 -6.313 2.322 15.371 69 HA2 GLY 8 HA2 GLY 8 -4.297 0.605 16.431 70 HA3 GLY 8 HA1 GLY 8 -5.277 0.288 15.006 71 H ILE 9 HN ILE 9 -4.397 2.670 13.579 72 HA ILE 9 HA ILE 9 -2.070 1.599 12.266 73 HB ILE 9 HB ILE 9 -3.399 4.318 12.107 74 HG12 ILE 9 HG12 ILE 9 -3.304 2.083 10.063 75 HG13 ILE 9 HG11 ILE 9 -4.573 2.185 11.282 76 HG21 ILE 9 HG21 ILE 9 -2.002 4.231 9.839 77 HG22 ILE 9 HG22 ILE 9 -0.929 3.221 10.806 78 HG23 ILE 9 HG23 ILE 9 -1.289 4.871 11.318 79 HD11 ILE 9 HD11 ILE 9 -4.351 3.628 8.802 80 HD12 ILE 9 HD12 ILE 9 -4.339 4.775 10.143 81 HD13 ILE 9 HD13 ILE 9 -5.676 3.637 9.967 82 H VAL 10 HN VAL 10 -2.564 4.264 14.545 83 HA VAL 10 HA VAL 10 0.115 5.203 14.641 84 HB VAL 10 HB VAL 10 -2.098 5.312 16.710 85 HG11 VAL 10 HG11 VAL 10 -0.600 7.403 17.363 86 HG12 VAL 10 HG12 VAL 10 0.687 6.429 16.654 87 HG13 VAL 10 HG13 VAL 10 -0.240 5.806 18.018 88 HG21 VAL 10 HG21 VAL 10 -2.003 7.776 15.817 89 HG22 VAL 10 HG22 VAL 10 -2.829 6.551 14.856 90 HG23 VAL 10 HG23 VAL 10 -1.195 7.055 14.425 91 H HIS 11 HN HIS 11 -1.581 2.747 16.583 92 HA HIS 11 HA HIS 11 0.630 2.237 18.359 93 HB2 HIS 11 HB2 HIS 11 -1.865 0.696 17.667 94 HB3 HIS 11 HB1 HIS 11 -0.642 0.037 18.752 95 HD2 HIS 11 HD2 HIS 11 -3.762 2.034 19.157 96 HE1 HIS 11 HE1 HIS 11 -1.263 3.357 22.294 97 HE2 HIS 11 HE2 HIS 11 -3.645 3.344 21.414 98 H VAL 12 HN VAL 12 -0.448 0.754 15.310 99 HA VAL 12 HA VAL 12 1.443 -1.387 15.285 100 HB VAL 12 HB VAL 12 -0.010 0.066 13.061 101 HG11 VAL 12 HG11 VAL 12 0.693 -2.148 11.813 102 HG12 VAL 12 HG12 VAL 12 2.031 -2.143 12.962 103 HG13 VAL 12 HG13 VAL 12 1.809 -0.782 11.862 104 HG21 VAL 12 HG21 VAL 12 -0.793 -1.850 14.958 105 HG22 VAL 12 HG22 VAL 12 -0.535 -2.769 13.476 106 HG23 VAL 12 HG23 VAL 12 -1.664 -1.415 13.489 107 H GLY 13 HN GLY 13 1.585 1.903 13.861 108 HA2 GLY 13 HA2 GLY 13 4.216 1.650 12.763 109 HA3 GLY 13 HA1 GLY 13 3.389 3.161 13.126 110 H LYS 14 HN LYS 14 3.003 2.807 15.884 111 HA LYS 14 HA LYS 14 5.447 3.760 16.976 112 HB2 LYS 14 HB2 LYS 14 3.188 4.220 17.891 113 HB3 LYS 14 HB1 LYS 14 3.051 2.531 18.368 114 HG2 LYS 14 HG2 LYS 14 4.970 2.779 19.885 115 HG3 LYS 14 HG1 LYS 14 5.178 4.456 19.368 116 HD2 LYS 14 HD2 LYS 14 3.927 4.590 21.395 117 HD3 LYS 14 HD1 LYS 14 2.747 4.823 20.105 118 HE2 LYS 14 HE2 LYS 14 2.500 2.192 20.269 119 HE3 LYS 14 HE1 LYS 14 3.163 2.436 21.886 120 HZ1 LYS 14 HZ1 LYS 14 0.527 2.839 21.040 121 HZ2 LYS 14 HZ2 LYS 14 1.185 4.380 21.375 122 HZ3 LYS 14 HZ3 LYS 14 1.198 3.174 22.571 123 H THR 15 HN THR 15 3.897 0.578 17.023 124 HA THR 15 HA THR 15 5.766 -0.717 18.753 125 HB THR 15 HB THR 15 4.102 -2.019 16.584 126 HG1 THR 15 HG1 THR 15 2.747 -0.712 17.801 127 HG21 THR 15 HG21 THR 15 4.022 -3.819 18.395 128 HG22 THR 15 HG22 THR 15 5.308 -2.923 19.206 129 HG23 THR 15 HG23 THR 15 5.578 -3.594 17.598 130 H ILE 16 HN ILE 16 5.528 -0.471 15.219 131 HA ILE 16 HA ILE 16 7.772 -2.143 14.608 132 HB ILE 16 HB ILE 16 6.452 0.093 13.050 133 HG12 ILE 16 HG12 ILE 16 6.394 -2.898 12.574 134 HG13 ILE 16 HG11 ILE 16 5.216 -2.094 13.610 135 HG21 ILE 16 HG21 ILE 16 7.673 -1.182 11.109 136 HG22 ILE 16 HG22 ILE 16 8.765 -1.723 12.382 137 HG23 ILE 16 HG23 ILE 16 8.578 -0.000 12.053 138 HD11 ILE 16 HD11 ILE 16 5.744 -1.199 10.766 139 HD12 ILE 16 HD12 ILE 16 4.383 -0.770 11.805 140 HD13 ILE 16 HD13 ILE 16 4.525 -2.409 11.169 141 H HIS 17 HN HIS 17 7.490 1.395 15.017 142 HA HIS 17 HA HIS 17 10.214 2.001 14.450 143 HB2 HIS 17 HB2 HIS 17 7.937 3.398 15.775 144 HB3 HIS 17 HB1 HIS 17 9.555 4.033 16.072 145 HD2 HIS 17 HD2 HIS 17 10.811 5.201 13.807 146 HE1 HIS 17 HE1 HIS 17 7.537 4.724 11.183 147 HE2 HIS 17 HE2 HIS 17 9.822 5.796 11.465 148 H ARG 18 HN ARG 18 8.569 1.089 17.450 149 HA ARG 18 HA ARG 18 10.763 1.621 19.214 150 HB2 ARG 18 HB2 ARG 18 8.494 1.364 20.065 151 HB3 ARG 18 HB1 ARG 18 8.435 -0.299 19.488 152 HG2 ARG 18 HG2 ARG 18 8.928 -0.342 21.867 153 HG3 ARG 18 HG1 ARG 18 10.381 -0.829 21.002 154 HD2 ARG 18 HD2 ARG 18 10.075 2.080 21.553 155 HD3 ARG 18 HD1 ARG 18 10.403 1.042 22.940 156 HE ARG 18 HE ARG 18 12.185 0.441 20.748 157 HH11 ARG 18 HH11 ARG 18 11.534 2.713 23.303 158 HH12 ARG 18 HH12 ARG 18 13.180 3.214 23.463 159 HH21 ARG 18 HH21 ARG 18 14.337 1.101 20.961 160 HH22 ARG 18 HH22 ARG 18 14.774 2.297 22.140 161 H LEU 19 HN LEU 19 9.719 -1.320 17.495 162 HA LEU 19 HA LEU 19 11.714 -3.046 18.588 163 HB2 LEU 19 HB2 LEU 19 10.120 -3.169 16.021 164 HB3 LEU 19 HB1 LEU 19 11.218 -4.450 16.531 165 HG LEU 19 HG LEU 19 8.987 -3.413 18.299 166 HD11 LEU 19 HD11 LEU 19 7.582 -5.156 17.518 167 HD12 LEU 19 HD12 LEU 19 8.907 -5.961 16.679 168 HD13 LEU 19 HD13 LEU 19 8.254 -4.448 16.051 169 HD21 LEU 19 HD21 LEU 19 10.371 -4.604 19.711 170 HD22 LEU 19 HD22 LEU 19 11.034 -5.585 18.404 171 HD23 LEU 19 HD23 LEU 19 9.438 -5.951 19.059 172 H VAL 20 HN VAL 20 11.660 -1.071 15.639 173 HA VAL 20 HA VAL 20 14.214 -1.952 14.651 174 HB VAL 20 HB VAL 20 12.551 0.514 14.083 175 HG11 VAL 20 HG11 VAL 20 14.083 0.436 11.943 176 HG12 VAL 20 HG12 VAL 20 15.205 -0.411 13.007 177 HG13 VAL 20 HG13 VAL 20 14.674 1.223 13.406 178 HG21 VAL 20 HG21 VAL 20 11.749 -1.858 13.449 179 HG22 VAL 20 HG22 VAL 20 13.088 -1.873 12.302 180 HG23 VAL 20 HG23 VAL 20 11.813 -0.663 12.155 181 H THR 21 HN THR 21 13.176 0.889 16.540 182 HA THR 21 HA THR 21 15.809 2.056 16.702 183 HB THR 21 HB THR 21 13.511 2.597 18.583 184 HG1 THR 21 HG1 THR 21 12.561 2.750 16.626 185 HG21 THR 21 HG21 THR 21 15.794 4.229 17.445 186 HG22 THR 21 HG22 THR 21 15.551 3.762 19.129 187 HG23 THR 21 HG23 THR 21 14.461 4.921 18.369 188 H GLY 22 HN GLY 22 17.470 1.462 18.011 189 HA2 GLY 22 HA2 GLY 22 16.854 -0.298 20.320 190 HA3 GLY 22 HA1 GLY 22 18.424 -0.121 19.544 191 HN1 NH2 23 H1 GLY 22 19.896 1.246 20.580
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